*HEADER   MUTATOR PROTEIN                         05-DEC-96   1TUM    
*TITLE    MUTT PYROPHOSPHOHYDROLASE-METAL-NUCLEOTIDE-METAL COMPLEX,   
*TITLE    NMR, 16 STRUCTURES                                          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: MUTATOR MUTT PROTEIN;                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: MUTTQC, DGTP PYROPHOSPHOHYDROLASE,                
*COMPND  5 7,8-DIHYDRO-8-OXOGUANINE-TRIPHOSPHATASE;                   
*COMPND  6 EC: 3.6.1.-;                                               
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 OTHER_DETAILS: MUTT-MG(2+)-AMPCPP-MG(2+) COMPLEX           
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 STRAIN: K12-I7023;                                         
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: HMS174 (DE3);                    
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PET MUTT, T7 PROMOTER;          
*SOURCE  7 EXPRESSION_SYSTEM_GENE: MUTT                               
*KEYWDS   MUTATOR PROTEIN, QUATERNARY COMPLEX, NUCLEOSIDE TRIPHOSPHATE
*KEYWDS  2 PYROPHOSPHOHYDROLASE, MUTT PYROPHOSPHOHYDROLASE-METAL-     
*KEYWDS  3 SUBSTRATE ANALOG COMPLEX                                   
*EXPDTA   NMR, 16 STRUCTURES                                          
*AUTHOR   J.LIN,C.ABEYGUNAWARDANA,D.N.FRICK,M.J.BESSMAN,A.S.MILDVAN   
*REVDAT  1   15-MAY-97 1TUM    0                                      

!NOE table used to calculate MutT-Metal-AMPCPP-Metal quaternary complex
!Ref.	Lin,J.,Abeygunawardana,C.,Frick,D.N.,Bessman,M.J.,&Mildvan,A.S
	"Solution structure of the quaternary MutT-metal(2+)-AMPCPP-metal(2+)
!	complex and mechanism of its pyrophosphohydrolase action."
!	Nov. 1996 Biochemistry, submitted
!**************** NOE's from 100 msec 1H-15N NOESY-HSQC spectrum ***********
assign (resid 3 and name ha  )  (resid 3 and name hn  ) 1.8 0 3.2  {W,  5.31,4.74e+04,0}
assign (resid 2 and name ha  )  (resid 3 and name hn  ) 1.8 0 1.5  {M,  4.49,3.06e+05,0}
assign (resid 2 and name hg* )  (resid 3 and name hn  ) 1.8 0 5.2  {W,  1.51,4.49e+04,0}
assign (resid 3 and name hg2 )  (resid 3 and name hn  ) 1.8 0 4.2  {W,  1.51,4.49e+04,0}
assign (resid 79 and name hn  ) (resid 4 and name hn  ) 1.8 0 3.2  {W,  8.83,5.77e+04,1}
assign (resid 81 and name hn  ) (resid 4 and name hn  ) 1.8 0 3.2  {W,  8.50,2.47e+04,1}
assign (resid 3 and name ha  )  (resid 4 and name hn  ) 1.8 0 1.0  {S,  5.31,6.08e+05,0}
assign (resid 80 and name ha  ) (resid 4 and name hn  ) 1.8 0 3.2  {W,  5.31,6.08e+05,0}
assign (resid 4 and name ha  )  (resid 4 and name hn  ) 1.8 0 3.2  {W,  4.82,1.10e+05,0}
assign (resid 79 and name hb* ) (resid 4 and name hn  ) 1.8 0 4.2  {W,  3.15,4.60e+04,0}
assign (resid 3 and name hb2 )  (resid 4 and name hn  ) 1.8 0 3.2  {W,  1.89,7.73e+04,0}
assign (resid 4 and name hb* )  (resid 4 and name hn  ) 1.8 0 2.5  {M,  1.70,2.23e+05,0}
assign (resid 4 and name hd* )  (resid 4 and name hn  ) 1.8 0 4.2  {W,  0.95,6.28e+04,0}
assign (resid 5 and name ha  )  (resid 5 and name hn  ) 1.8 0 3.2  {W,  5.73,2.75e+04,0}
assign (resid 4 and name ha  )  (resid 5 and name hn  ) 1.8 0 1.0  {S,  4.82,3.18e+05,0}
assign (resid 5 and name hg2 )  (resid 5 and name hn  ) 1.8 0 3.2  {W,  2.68,3.43e+04,0}
assign (resid 5 and name hb2 )  (resid 5 and name hn  ) 1.8 0 3.2  {W,  2.33,3.08e+04,0}
assign (resid 5 and name hb1 )  (resid 5 and name hn  ) 1.8 0 3.2  {W,  2.21,3.96e+04,0}
assign (resid 4 and name hb* )  (resid 5 and name hn  ) 1.8 0 4.2  {W,  1.68,5.55e+04,0}
assign (resid 4 and name hd* )  (resid 5 and name hn  ) 1.8 0 4.2  {W,  0.97,5.87e+04,0}
assign (resid 81 and name hn  ) (resid 6 and name hn  ) 1.8 0 3.2  {W,  8.48,3.35e+04,-1}
assign (resid 83 and name hd1 ) (resid 6 and name hn  ) 1.8 0 3.2  {W,  7.18,9.89e+04,0}
assign (resid 5 and name ha  )  (resid 6 and name hn  ) 1.8 0 1.5  {M,  5.73,3.46e+05,0}
assign (resid 7 and name ha  )  (resid 6 and name hn  ) 1.8 0 3.2  {W,  5.47,3.36e+04,0}
assign (resid 82 and name ha  ) (resid 6 and name hn  ) 1.8 0 1.5  {M,  4.98,2.39e+05,0}
assign (resid 6 and name ha  )  (resid 6 and name hn  ) 1.8 0 3.2  {W,  4.56,8.35e+04,0}
assign (resid 81 and name hb  ) (resid 6 and name hn  ) 1.8 0 3.2  {W,  4.05,4.38e+04,0}
assign (resid 83 and name hb2 ) (resid 6 and name hn  ) 1.8 0 3.2  {W,  3.48,3.78e+04,0}
assign (resid 5 and name hb2 )  (resid 6 and name hn  ) 1.8 0 3.2  {W,  2.33,6.72e+04,0}
assign (resid 5 and name hb1 )  (resid 6 and name hn  ) 1.8 0 3.2  {W,  2.19,3.26e+04,0}
assign (resid 6 and name hb  )  (resid 6 and name hn  ) 1.8 0 1.5  {M,  1.66,1.81e+05,0}
assign (resid 82 and name hg  ) (resid 6 and name hn  ) 1.8 0 3.2  {W,  1.51,2.90e+04,0}
assign (resid 6 and name hg12)  (resid 6 and name hn  ) 1.8 0 3.2  {W,  1.23,2.85e+04,0}
assign (resid 6 and name hg11)  (resid 6 and name hn  ) 1.8 0 3.2  {W,  1.04,7.06e+04,0}
assign (resid 80 and name hg2*) (resid 6 and name hn  ) 1.8 0 4.2  {W,  0.91,2.68e+04,0}
assign (resid 40 and name hg2*) (resid 6 and name hn  ) 1.8 0 4.2  {W,  0.69,8.14e+04,0}
assign (resid 81 and name hg2*) (resid 6 and name hn  ) 1.8 0 4.2  {W,  0.69,8.14e+04,0}
assign (resid 82 and name hd1*) (resid 6 and name hn  ) 1.8 0 4.2  {W,  0.69,8.14e+04,0}
assign (resid 40 and name hd* ) (resid 6 and name hn  ) 1.8 0 4.2  {W,  0.69,8.14e+04,0}
assign (resid 6 and name hd* )  (resid 6 and name hn  ) 1.8 0 4.2  {W,  0.60,5.55e+04,0}
assign (resid 6 and name hg2*)  (resid 6 and name hn  ) 1.8 0 4.2  {W,  0.41,5.00e+04,0}
assign (resid 38 and name hn  ) (resid 7 and name hn  ) 1.8 0 3.2  {W,  8.50,9.43e+04,1}
assign (resid 40 and name hn  ) (resid 7 and name hn  ) 1.8 0 3.2  {W,  8.24,2.07e+04,1}
assign (resid 7 and name ha  )  (resid 7 and name hn  ) 1.8 0 3.2  {W,  5.45,7.32e+04,0}
assign (resid 8 and name ha  )  (resid 7 and name hn  ) 1.8 0 3.2  {W,  4.75,2.35e+04,0}
assign (resid 6 and name ha  )  (resid 7 and name hn  ) 1.8 0 1.0  {S,  4.56,4.93e+05,0}
assign (resid 39 and name ha  ) (resid 7 and name hn  ) 1.8 0 3.2  {W,  4.42,9.41e+04,0}
assign (resid 40 and name hb  ) (resid 7 and name hn  ) 1.8 0 3.2  {W,  1.61,1.02e+05,0}
assign (resid 7 and name hb* )  (resid 7 and name hn  ) 1.8 0 2.5  {M,  1.28,2.47e+05,0}
assign (resid 6 and name hg11)  (resid 7 and name hn  ) 1.8 0 3.7  {W,  1.00,3.66e+04,0}
assign (resid 40 and name hg2*) (resid 7 and name hn  ) 1.8 0 4.2  {W,  0.67,7.78e+04,0}
assign (resid 50 and name hg2*) (resid 7 and name hn  ) 1.8 0 4.2  {W,  0.58,6.41e+04,0}
assign (resid 8 and name hg1*)  (resid 7 and name hn  ) 1.8 0 4.2  {W,  0.41,2.09e+05,0}
assign (resid 85 and name hn  ) (resid 8 and name hn  ) 1.8 0 3.2  {W,  9.44,2.64e+04,1}
assign (resid 83 and name hd1 ) (resid 8 and name hn  ) 1.8 0 3.2  {W,  7.18,1.07e+05,0}
assign (resid 7 and name ha  )  (resid 8 and name hn  ) 1.8 0 1.0  {S,  5.45,3.91e+05,0}
assign (resid 84 and name ha  ) (resid 8 and name hn  ) 1.8 0 3.2  {W,  5.05,5.27e+04,0}
assign (resid 8 and name ha  )  (resid 8 and name hn  ) 1.8 0 3.2  {W,  4.79,6.94e+04,0}
assign (resid 83 and name hb2 ) (resid 8 and name hn  ) 1.8 0 3.2  {W,  3.46,5.68e+04,0}
assign (resid 8 and name hb  )  (resid 8 and name hn  ) 1.8 0 3.2  {W,  1.61,1.11e+05,0}
assign (resid 7 and name hb* )  (resid 8 and name hn  ) 1.8 0 4.2  {W,  1.28,1.15e+05,0}
assign (resid 8 and name hg2*)  (resid 8 and name hn  ) 1.8 0 4.2  {W,  0.90,4.10e+04,0}
assign (resid 50 and name hg2*) (resid 8 and name hn  ) 1.8 0 4.2  {W,  0.55,3.90e+04,0}
assign (resid 8 and name hg1*)  (resid 8 and name hn  ) 1.8 0 2.5  {M,  0.39,1.58e+05,0}
assign (resid 9 and name ha1 )  (resid 9 and name hn  ) 1.8 0 3.2  {W,  4.94,8.03e+04,0}
assign (resid 9 and name ha2 )  (resid 9 and name hn  ) 1.8 0 1.5  {M,  3.13,1.18e+05,0}
assign (resid 8 and name hb  )  (resid 9 and name hn  ) 1.8 0 3.2  {W,  1.63,3.32e+04,0}
assign (resid 8 and name hg2*)  (resid 9 and name hn  ) 1.8 0 4.2  {W,  0.90,9.37e+04,0}
assign (resid 10 and name hg11) (resid 9 and name hn  ) 1.8 0 3.2  {W,  0.53,3.02e+04,0}
assign (resid 8 and name hg1*)  (resid 9 and name hn  ) 1.8 0 4.2  {W,  0.39,3.46e+04,0}
assign (resid 87 and name hn  ) (resid 10 and name hn  ) 1.8 0 3.2  {W,  9.93,2.29e+04,-1}
assign (resid 9 and name ha1 )  (resid 10 and name hn  ) 1.8 0 1.5  {M,  4.94,5.23e+05,0}
assign (resid 10 and name ha  ) (resid 10 and name hn  ) 1.8 0 3.2  {W,  4.07,6.68e+04,0}
assign (resid 9 and name ha2 )  (resid 10 and name hn  ) 1.8 0 1.5  {M,  3.11,2.12e+05,0}
assign (resid 35 and name hb1 ) (resid 10 and name hn  ) 1.8 0 3.2  {W,  2.73,2.56e+04,0}
assign (resid 10 and name hb  ) (resid 10 and name hn  ) 1.8 0 1.5  {M,  1.79,1.56e+05,0}
assign (resid 86 and name hg  ) (resid 10 and name hn  ) 1.8 0 3.2  {W,  1.49,1.53e+05,0}
assign (resid 10 and name hg12) (resid 10 and name hn  ) 1.8 0 3.2  {W,  1.09,9.46e+04,0}
assign (resid 87 and name hg1*) (resid 10 and name hn  ) 1.8 0 4.2  {W,  0.76,7.30e+04,0}
assign (resid 86 and name hd1*) (resid 10 and name hn  ) 1.8 0 4.2  {W,  0.65,5.95e+04,0}
assign (resid 10 and name hg11) (resid 10 and name hn  ) 1.8 0 3.2  {W,  0.52,6.86e+04,0}
assign (resid 10 and name hg2*) (resid 10 and name hn  ) 1.8 0 4.2  {W, -0.08,3.32e+04,0}
assign (resid 10 and name hn  ) (resid 11 and name hn  ) 2.5 0 3.5  { }
assign (resid 12 and name hn  ) (resid 11 and name hn  ) 2.5 0 3.5  { }
assign (resid 19 and name hn  ) (resid 11 and name hn  ) 1.8 0 3.2  { }
assign (resid 18 and name ha  ) (resid 11 and name hn  ) 2.5 0 3.5  { }
assign (resid 11 and name ha  ) (resid 11 and name hn  ) 1.8 0 3.2  {W,  4.32,4.25e+04,0}
assign (resid 10 and name ha  ) (resid 11 and name hn  ) 1.8 0 1.0  {S,  4.09,2.64e+05,0}
assign (resid 11 and name hb  ) (resid 11 and name hn  ) 1.8 0 2.0  {M,  1.61,1.29e+05,0}
assign (resid 11 and name hg12) (resid 11 and name hn  ) 1.8 0 1.5  {M,  1.47,7.10e+04,0}
assign (resid 19 and name hb1 ) (resid 11 and name hn  ) 1.8 0 3.2  {W,  1.02,4.42e+04,0}
assign (resid 86 and name hd1*) (resid 11 and name hn  ) 1.8 0 4.2  {W,  0.65,2.20e+04,0}
assign (resid 10 and name hg2*) (resid 11 and name hn  ) 1.8 0 1.5  {M,  0.51,9.39e+04,0}
assign (resid 11 and name hg11) (resid 11 and name hn  ) 1.8 0 3.2  {W,  0.22,4.83e+04,0}
assign (resid 11 and name hg2*) (resid 11 and name hn  ) 1.8 0 4.2  {W, -0.13,3.07e+04,0}
assign (resid 90 and name hz3 ) (resid 12 and name hn  ) 1.8 0 3.2  {W,  7.30,6.35e+04,0}
assign (resid 12 and name ha  ) (resid 12 and name hn  ) 1.8 0 3.2  {W,  5.89,6.08e+04,0}
assign (resid 88 and name ha  ) (resid 12 and name hn  ) 1.8 0 3.2  {W,  5.29,3.43e+04,0}
assign (resid 11 and name ha  ) (resid 12 and name hn  ) 1.8 0 1.0  {S,  4.31,3.44e+05,0}
assign (resid 12 and name hg2 ) (resid 12 and name hn  ) 1.8 0 3.2  {W,  2.19,9.96e+04,0}
assign (resid 12 and name hb2 ) (resid 12 and name hn  ) 1.8 0 2.0  {M,  2.03,1.41e+05,0}
assign (resid 11 and name hb  ) (resid 12 and name hn  ) 1.8 0 3.2  {W,  1.61,5.06e+04,0}
assign (resid 11 and name hg12) (resid 12 and name hn  ) 1.8 0 3.2  {W,  1.47,2.56e+04,0}
assign (resid 12 and name hb1 ) (resid 12 and name hn  ) 1.8 0 3.2  {W,  1.35,9.56e+04,0}
assign (resid 87 and name hg2*) (resid 12 and name hn  ) 1.8 0 4.2  {W,  1.21,4.04e+04,0}
assign (resid 86 and name hd1*) (resid 12 and name hn  ) 1.8 0 4.2  {W,  0.62,4.21e+04,0}
assign (resid 11 and name hg11) (resid 12 and name hn  ) 1.8 0 3.2  {W,  0.25,2.35e+04,0}
assign (resid 11 and name hg2*) (resid 12 and name hn  ) 1.8 0 4.2  {W, -0.13,7.35e+04,0}
assign (resid 17 and name hn  ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  7.75,1.17e+05,1}
assign (resid 90 and name hz3 ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  7.33,1.25e+05,0}
assign (resid 18 and name ha  ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  6.13,8.48e+04,0}
assign (resid 12 and name ha  ) (resid 13 and name hn  ) 1.8 0 1.0  {S,  5.89,5.16e+05,0}
assign (resid 13 and name ha  ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  5.29,9.68e+04,0}
assign (resid 16 and name ha  ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  4.32,2.07e+04,0}
assign (resid 13 and name hb2 ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  3.46,5.36e+04,0}
assign (resid 13 and name hb1 ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  2.62,5.72e+04,0}
assign (resid 12 and name hg2 ) (resid 13 and name hn  ) 1.8 0 3.7  {W,  2.14,8.37e+04,0}
assign (resid 12 and name hb2 ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  2.03,7.30e+04,0}
assign (resid 12 and name hg1 ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  1.59,6.43e+04,0}
assign (resid 12 and name hb1 ) (resid 13 and name hn  ) 1.8 0 3.2  {W,  1.35,7.01e+04,0}
assign (resid 18 and name hg2*) (resid 13 and name hn  ) 1.8 0 4.2  {W,  1.02,3.12e+04,0}
assign (resid 15 and name hn  ) (resid 14 and name hn  ) 1.8 0 1.5  {M,  7.78,1.41e+05,1}
assign (resid 13 and name hd21) (resid 14 and name hn  ) 1.8 0 3.2  {W,  5.50,2.46e+04,0}
assign (resid 13 and name ha  ) (resid 14 and name hn  ) 1.8 0 2.0  {M,  5.29,2.18e+05,0}
assign (resid 14 and name ha  ) (resid 14 and name hn  ) 1.8 0 1.5  {M,  4.30,1.45e+05,0}
assign (resid 13 and name hb1 ) (resid 14 and name hn  ) 1.8 0 2.5  {M,  2.64,1.25e+05,0}
assign (resid 14 and name hg2 ) (resid 14 and name hn  ) 1.8 0 3.2  {W,  2.33,6.96e+04,0}
assign (resid 14 and name hb2 ) (resid 14 and name hn  ) 1.8 0 1.5  {M,  2.14,1.25e+05,0}
assign (resid 14 and name hb1 ) (resid 14 and name hn  ) 1.8 0 2.0  {M,  2.03,1.52e+05,0}
assign (resid 14 and name hn  ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  8.90,1.88e+05,1}
assign (resid 16 and name hn  ) (resid 15 and name hn  ) 1.8 0 1.5  {M,  8.45,4.84e+05,1}
assign (resid 13 and name ha  ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  5.30,2.08e+04,0}
assign (resid 15 and name ha  ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  4.93,2.70e+05,0}
assign (resid 14 and name ha  ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  4.30,1.90e+05,0}
assign (resid 13 and name hb2 ) (resid 15 and name hn  ) 1.8 0 4.2  {W,  3.46,5.41e+04,0}
assign (resid 15 and name hb2 ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  2.92,1.72e+05,0}
assign (resid 15 and name hb1 ) (resid 15 and name hn  ) 1.8 0 1.5  {M,  2.41,3.39e+05,0}
assign (resid 14 and name hg1 ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  2.24,6.48e+04,0}
assign (resid 17 and name hb2 ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  2.24,6.48e+04,0}
assign (resid 17 and name hg2 ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  2.24,6.48e+04,0}
assign (resid 14 and name hb2 ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  2.14,5.58e+04,0}
assign (resid 14 and name hb1 ) (resid 15 and name hn  ) 1.8 0 3.2  {W,  2.02,5.14e+04,0}
assign (resid 13 and name hn  ) (resid 16 and name hn  ) 1.8 0 3.2  {W,  8.92,2.86e+04,-1}
assign (resid 15 and name hn  ) (resid 16 and name hn  ) 1.8 0 1.0  {S,  7.77,5.89e+05,1}
assign (resid 17 and name hn  ) (resid 16 and name hn  ) 1.8 0 1.0  {S,  7.77,5.89e+05,1}
assign (resid 15 and name ha  ) (resid 16 and name hn  ) 1.8 0 3.2  {W,  4.94,1.34e+05,0}
assign (resid 16 and name ha  ) (resid 16 and name hn  ) 1.8 0 1.0  {S,  4.35,8.46e+05,0}
assign (resid 16 and name hb2 ) (resid 16 and name hn  ) 1.8 0 3.2  {W,  3.32,8.11e+04,0}
assign (resid 16 and name hb1 ) (resid 16 and name hn  ) 1.8 0 3.2  {W,  2.85,9.97e+04,0}
assign (resid 15 and name hb1 ) (resid 16 and name hn  ) 1.8 0 3.2  {W,  2.42,2.33e+04,0}
assign (resid 17 and name hg2 ) (resid 16 and name hn  ) 1.8 0 3.2  {W,  2.24,2.99e+04,0}
assign (resid 14 and name hb2 ) (resid 16 and name hn  ) 1.8 0 3.2  {W,  2.15,3.82e+04,0}
assign (resid 18 and name hn  ) (resid 17 and name hn  ) 1.8 0 3.2  {W,  9.22,2.39e+04,-1}
assign (resid 13 and name hn  ) (resid 17 and name hn  ) 1.8 0 3.2  {W,  8.94,5.16e+04,1}
assign (resid 16 and name hn  ) (resid 17 and name hn  ) 1.8 0 1.5  {M,  8.45,2.46e+05,1}
assign (resid 17 and name ha  ) (resid 17 and name hn  ) 1.8 0 3.2  {W,  5.08,1.20e+05,0}
assign (resid 16 and name ha  ) (resid 17 and name hn  ) 1.8 0 3.2  {W,  4.35,1.87e+05,0}
assign (resid 15 and name hb1 ) (resid 17 and name hn  ) 1.8 0 3.2  {W,  2.40,4.28e+04,0}
assign (resid 17 and name hb2 ) (resid 17 and name hn  ) 1.8 0 1.5  {M,  2.24,2.24e+05,0}
assign (resid 17 and name hg2 ) (resid 17 and name hn  ) 1.8 0 2.0  {M,  2.24,2.24e+05,0}
assign (resid 17 and name hg1 ) (resid 17 and name hn  ) 1.8 0 3.2  {W,  2.00,1.44e+05,0}
assign (resid 105 and name hn ) (resid 18 and name hn  ) 1.8 0 3.2  {W, 9.62,5.04e+04,1}
assign (resid 107 and name hn ) (resid 18 and name hn  ) 1.8 0 3.2  { }
assign (resid 90 and name hz3 ) (resid 18 and name hn  ) 1.8 0 4.2  {W,  7.26,3.52e+04,0}
assign (resid 18 and name ha  ) (resid 18 and name hn  ) 1.8 0 3.2  {W,  6.13,4.88e+04,0}
assign (resid 17 and name ha  ) (resid 18 and name hn  ) 1.8 0 1.5  {M,  5.08,2.19e+05,0}
assign (resid 105 and name ha ) (resid 18 and name hn  ) 1.8 0 3.2  {W,  4.93,3.84e+04,0}
assign (resid 106 and name ha ) (resid 18 and name hn  ) 1.8 0 3.2  {W,  4.49,4.62e+04,0}
assign (resid 17 and name hb2 ) (resid 18 and name hn  ) 1.8 0 3.2  {W,  2.24,3.45e+04,0}
assign (resid 17 and name hb1 ) (resid 18 and name hn  ) 1.8 0 3.2  {W,  2.01,9.20e+04,0}
assign (resid 18 and name hb  ) (resid 18 and name hn  ) 1.8 0 3.2  {W,  1.89,9.64e+04,0}
assign (resid 18 and name hg12) (resid 18 and name hn  ) 1.8 0 3.2  {W,  1.54,5.36e+04,0}
assign (resid 18 and name hg11) (resid 18 and name hn  ) 1.8 0 3.2  {W,  1.37,9.15e+04,0}
assign (resid 18 and name hg2*) (resid 18 and name hn  ) 1.8 0 4.2  {W,  1.02,3.49e+04,0}
assign (resid 20 and name hg2*) (resid 18 and name hn  ) 1.8 0 4.2  {W,  0.88,2.96e+04,0}
assign (resid 13 and name hn  ) (resid 19 and name hn  ) 1.8 0 4.2  { }
assign (resid 11 and name hn  ) (resid 19 and name hn  ) 1.8 0 3.2  {W, 10.07,2.14e+04,-1}
assign (resid 90 and name hz3 ) (resid 19 and name hn  ) 1.8 0 3.2  {W,  7.33,6.46e+04,0}
assign (resid 18 and name ha  ) (resid 19 and name hn  ) 1.8 0 1.0  {S,  6.13,4.04e+05,0}
assign (resid 12 and name ha  ) (resid 19 and name hn  ) 1.8 0 3.2  {W,  5.90,4.15e+04,0}
assign (resid 19 and name hd* ) (resid 19 and name hn  ) 1.8 0 4.2  {W,  5.57,5.36e+04,0}
assign (resid 19 and name ha  ) (resid 19 and name hn  ) 1.8 0 3.2  {W,  4.14,8.14e+04,0}
assign (resid 19 and name hb2 ) (resid 19 and name hn  ) 1.8 0 1.5  {M,  2.43,1.32e+05,0}
assign (resid 12 and name hb2 ) (resid 19 and name hn  ) 1.8 0 4.7  {W,  2.03,2.22e+04,0}
assign (resid 18 and name hb  ) (resid 19 and name hn  ) 1.8 0 3.2  {W,  1.89,9.13e+04,0}
assign (resid 11 and name hb  ) (resid 19 and name hn  ) 1.8 0 3.2  {W,  1.61,1.04e+05,0}
assign (resid 18 and name hg11) (resid 19 and name hn  ) 1.8 0 3.2  {W,  1.35,2.62e+04,0}
assign (resid 19 and name hb1 ) (resid 19 and name hn  ) 1.8 0 1.0  {S,  1.02,2.75e+05,0}
assign (resid 20 and name hg2*) (resid 19 and name hn  ) 1.8 0 4.2  {W,  0.86,3.36e+04,0}
assign (resid 11 and name hd* ) (resid 19 and name hn  ) 1.8 0 4.2  {W,  0.53,3.86e+04,0}
assign (resid 11 and name hg2*) (resid 19 and name hn  ) 1.8 0 4.2  {W, -0.15,2.82e+04,0}
assign (resid 103 and name hn ) (resid 20 and name hn  ) 1.8 0 1.5  {M, 7.96,1.01e+05,1}
assign (resid 105 and name hn ) (resid 20 and name hn  ) 1.8 0 3.2  { }
assign (resid 19 and name hd* ) (resid 20 and name hn  ) 1.8 0 4.2  {W,  5.57,2.99e+04,0}
assign (resid 104 and name ha ) (resid 20 and name hn  ) 1.8 0 3.2  {W,  4.98,4.76e+04,0}
assign (resid 20 and name ha  ) (resid 20 and name hn  ) 1.8 0 3.2  {W,  4.63,7.42e+04,0}
assign (resid 19 and name ha  ) (resid 20 and name hn  ) 1.8 0 1.0  {S,  4.14,3.32e+05,0}
assign (resid 19 and name hb2 ) (resid 20 and name hn  ) 1.8 0 3.2  {W,  2.47,2.68e+04,0}
assign (resid 20 and name hb  ) (resid 20 and name hn  ) 1.8 0 1.5  {M,  1.77,1.29e+05,0}
assign (resid 19 and name hb1 ) (resid 20 and name hn  ) 1.8 0 3.2  {W,  1.04,3.03e+04,0}
assign (resid 20 and name hg2*) (resid 20 and name hn  ) 1.8 0 4.2  {W,  0.85,4.15e+04,0}
assign (resid 34 and name hn  ) (resid 21 and name hn  ) 1.8 0 3.2  {W,  7.98,9.52e+04,1}
assign (resid 35 and name ha  ) (resid 21 and name hn  ) 1.8 0 3.2  {W,  5.19,2.75e+04,0}
assign (resid 20 and name ha  ) (resid 21 and name hn  ) 1.8 0 1.0  {S,  4.63,4.54e+05,0}
assign (resid 102 and name ha2) (resid 21 and name hn  ) 1.8 0 3.2  {W,  4.46,2.65e+04,0}
assign (resid 36 and name hd1 ) (resid 21 and name hn  ) 1.8 0 3.2  {W,  4.06,2.46e+04,0}
assign (resid 21 and name hb  ) (resid 21 and name hn  ) 1.8 0 3.2  {W,  3.95,5.26e+04,0}
assign (resid 20 and name hb  ) (resid 21 and name hn  ) 1.8 0 2.0  {M,  1.77,1.80e+05,0}
assign (resid 20 and name hg11) (resid 21 and name hn  ) 1.8 0 3.2  {W,  1.35,2.77e+04,0}
assign (resid 21 and name hg* ) (resid 21 and name hn  ) 1.8 0 4.2  {W,  0.95,1.19e+05,0}
assign (resid 20 and name hg2*) (resid 21 and name hn  ) 1.8 0 2.5  {M,  0.86,1.64e+05,0}
assign (resid 20 and name hd* ) (resid 21 and name hn  ) 1.8 0 4.2  {W,  0.69,5.05e+04,0}
assign (resid 10 and name hg2*) (resid 21 and name hn  ) 1.8 0 4.2  {W,  0.49,2.13e+04,0}
assign (resid 24 and name hn  ) (resid 22 and name hn  ) 1.8 0 3.2		{ }
assign (resid 23 and name hn  ) (resid 22 and name hn  ) 1.8 0 3.2		{ }
assign (resid 21 and name ha  ) (resid 22 and name hn  ) 1.8 0 3.2  {W,  4.75,2.03e+05,0}
assign (resid 24 and name ha  ) (resid 22 and name hn  ) 1.8 0 3.2  {W,  4.21,2.35e+04,0}
assign (resid 21 and name hb  ) (resid 22 and name hn  ) 1.8 0 3.2  {W,  3.95,7.70e+04,0}
assign (resid 105 and name hb2) (resid 22 and name hn  ) 1.8 0 3.2  {W,  2.12,3.69e+04,0}
assign (resid 101 and name hg*) (resid 22 and name hn  ) 1.8 0 4.2  {W,  2.01,4.58e+04,0}
assign (resid 103 and name hg2) (resid 22 and name hn  ) 1.8 0 3.2  {W,  2.01,4.58e+04,0}
assign (resid 22 and name hb2 ) (resid 22 and name hn  ) 1.8 0 3.2  {W,  1.63,4.13e+04,0}
assign (resid 22 and name hb1 ) (resid 22 and name hn  ) 1.8 0 3.2  {W,  1.35,4.57e+04,0}
assign (resid 21 and name hg* ) (resid 22 and name hn  ) 1.8 0 4.2  {W,  0.95,2.61e+04,0}
assign (resid 22 and name hg* ) (resid 22 and name hn  ) 1.8 0 4.2  {W,  0.95,2.61e+04,0}
assign (resid 20 and name hg2*) (resid 22 and name hn  ) 1.8 0 4.2  {W,  0.81,2.10e+04,0}
assign (resid 22 and name ha  ) (resid 23 and name hn  ) 1.8 0 1.5  {M,  4.66,4.36e+05,0}
assign (resid 33 and name ha  ) (resid 23 and name hn  ) 1.8 0 3.2  {W,  4.45,3.79e+04,0}
assign (resid 24 and name ha  ) (resid 23 and name hn  ) 1.8 0 3.7  {W,  4.26,1.12e+05,0}
assign (resid 23 and name ha  ) (resid 23 and name hn  ) 1.8 0 3.2  {W,  4.26,1.12e+05,0}
assign (resid 23 and name hb1 ) (resid 23 and name hn  ) 1.8 0 3.2  {W,  1.63,3.16e+05,0}
assign (resid 23 and name hg1 ) (resid 23 and name hn  ) 1.8 0 3.2  {W,  1.49,1.64e+05,0}
assign (resid 22 and name hb1 ) (resid 23 and name hn  ) 1.8 0 3.2  {W,  1.40,1.00e+05,0}
assign (resid 33 and name hd2*) (resid 23 and name hn  ) 1.8 0 4.2  {W,  0.48,3.13e+04,0}
assign (resid 23 and name hn  ) (resid 24 and name hn  ) 1.8 0 3.2  {W,  8.48,2.73e+04,-1}
assign (resid 24 and name ha  ) (resid 24 and name hn  ) 1.8 0 1.0  {S,  4.26,4.99e+05,0}
assign (resid 23 and name hb2 ) (resid 24 and name hn  ) 1.8 0 3.2  {W,  1.63,5.67e+04,0}
assign (resid 23 and name hb1 ) (resid 24 and name hn  ) 1.8 0 3.2  {W,  1.63,5.67e+04,0}
assign (resid 24 and name hb* ) (resid 24 and name hn  ) 1.8 0 2.5  {M,  1.39,3.47e+05,0}
assign (resid 26 and name hn  ) (resid 25 and name hn  ) 1.8 0 3.2  {W,  8.02,2.16e+04,1}
assign (resid 26 and name ha  ) (resid 25 and name hn  ) 1.8 0 3.7  {W,  4.61,8.33e+04,0}
assign (resid 24 and name ha  ) (resid 25 and name hn  ) 1.8 0 3.2  {W,  4.24,4.43e+05,0}
assign (resid 24 and name hb* ) (resid 25 and name hn  ) 1.8 0 2.0  {S,  1.37,4.06e+05,0}
assign (resid 26 and name ha  ) (resid 26 and name hn  ) 1.8 0 3.2  {W,  4.59,1.50e+05,0}
assign (resid 25 and name ha  ) (resid 26 and name hn  ) 1.8 0 1.5  {M,  4.21,2.16e+05,0}
assign (resid 26 and name hb* ) (resid 26 and name hn  ) 1.8 0 4.2  {W,  2.68,7.31e+04,0}
assign (resid 25 and name hb* ) (resid 26 and name hn  ) 1.8 0 4.2  {W,  1.37,1.64e+05,0}
assign (resid 28 and name ha  ) (resid 29 and name hn  ) 1.8 0 3.2  {W,  4.51,2.88e+04,0}
assign (resid 30 and name hn  ) (resid 31 and name hn  ) 1.8 0 3.2  {W,  7.94,2.16e+04,-1}
assign (resid 30 and name ha  ) (resid 31 and name hn  ) 1.8 0 1.5  {S,  4.19,1.19e+05,0}
assign (resid 31 and name hb* ) (resid 31 and name hn  ) 1.8 0 2.5  {M,  2.66,4.05e+04,0}
assign (resid 30 and name hb* ) (resid 31 and name hn  ) 1.8 0 2.5  {M,  1.37,6.74e+04,0}
assign (resid 33 and name hn  ) (resid 32 and name hn  ) 1.8 0 3.2  {W,  8.08,8.17e+04,1}
assign (resid 31 and name ha  ) (resid 32 and name hn  ) 1.8 0 1.5  {M,  4.51,3.33e+05,0}
assign (resid 32 and name ha  ) (resid 32 and name hn  ) 1.8 0 3.2  {W,  4.35,1.23e+05,0}
assign (resid 31 and name hb* ) (resid 32 and name hn  ) 1.8 0 4.2  {W,  2.68,8.57e+04,0}
assign (resid 32 and name hb* ) (resid 32 and name hn  ) 1.8 0 2.5  {M,  1.67,2.61e+05,0}
assign (resid 32 and name hg* ) (resid 32 and name hn  ) 1.8 0 4.2  {W,  1.28,1.35e+05,0}
assign (resid 27 and name hb* ) (resid 32 and name hn  ) 1.8 0 4.2  {W,  1.28,1.35e+05,0}
assign (resid 32 and name hn  ) (resid 33 and name hn  ) 1.8 0 3.2  {W,  7.78,6.11e+04,1}
assign (resid 34 and name hn  ) (resid 33 and name hn  ) 1.8 0 3.2  {W,  7.78,6.11e+04,1}
assign (resid 115 and name ha ) (resid 33 and name hn  ) 1.8 0 3.2  {W,  5.19,7.95e+04,0}
assign (resid 114 and name ha ) (resid 33 and name hn  ) 1.8 0 3.2  {W,  4.63,2.71e+04,0}
assign (resid 34 and name ha  ) (resid 33 and name hn  ) 1.8 0 3.2  {W,  4.63,2.71e+04,0}
assign (resid 33 and name ha  ) (resid 33 and name hn  ) 1.8 0 3.2  {W,  4.47,9.48e+04,0}
assign (resid 116 and name hd2) (resid 33 and name hn  ) 1.8 0 3.2  {W,  4.47,9.48e+04,0}
assign (resid 32 and name ha  ) (resid 33 and name hn  ) 1.8 0 1.5  {M,  4.35,3.01e+05,0}
assign (resid 114 and name hb1) (resid 33 and name hn  ) 1.8 0 3.2  {W,  2.57,2.54e+04,0}
assign (resid 116 and name hb2) (resid 33 and name hn  ) 1.8 0 4.2  {W,  2.57,2.54e+04,0}
assign (resid 32 and name hb* ) (resid 33 and name hn  ) 1.8 0 2.5  {M,  1.68,1.96e+05,0}
assign (resid 32 and name hd1 ) (resid 33 and name hn  ) 1.8 0 3.7  {W,  1.33,3.94e+04,0}
assign (resid 33 and name hg  ) (resid 33 and name hn  ) 1.8 0 1.5  {M,  1.23,2.05e+05,0}
assign (resid 33 and name hd2*) (resid 33 and name hn  ) 1.8 0 3.0  {M,  0.50,1.67e+05,0}
assign (resid 33 and name hb1 ) (resid 33 and name hn  ) 1.8 0 3.2  {W, -0.08,1.29e+05,0}
assign (resid 35 and name hn  ) (resid 34 and name hn  ) 1.8 0 3.2  { }
assign (resid 21 and name hn  ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  8.25,3.03e+04,1}
assign (resid 100 and name he22)(resid 34 and name hn  ) 1.8 0 3.2  {W,  7.65,2.80e+04,0}
assign (resid 34 and name ha  ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  4.63,1.15e+05,0}
assign (resid 33 and name ha  ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  4.46,2.63e+05,0}
assign (resid 36 and name hd1 ) (resid 34 and name hn  ) 1.8 0 3.7  {W,  4.07,3.89e+04,0}
assign (resid 21 and name hb  ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  3.98,4.01e+04,0}
assign (resid 34 and name hg2 ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  2.14,2.70e+05,0}
assign (resid 34 and name hb2 ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  1.96,2.40e+04,0}
assign (resid 20 and name hb  ) (resid 34 and name hn  ) 1.8 0 3.7  {W,  1.79,8.76e+04,0}
assign (resid 34 and name hb1 ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  1.65,1.14e+05,0}
assign (resid 20 and name hg2*) (resid 34 and name hn  ) 1.8 0 4.2  {W,  0.86,8.81e+04,0}
assign (resid 33 and name hd1*) (resid 34 and name hn  ) 1.8 0 4.7  {W,  0.50,7.26e+04,0}
assign (resid 33 and name hb2 ) (resid 34 and name hn  ) 1.8 0 3.2  {W,  0.41,5.81e+04,0}
assign (resid 33 and name hb1 ) (resid 34 and name hn  ) 1.8 0 3.2  {W, -0.08,3.34e+04,0}
assign (resid 35 and name hd* ) (resid 35 and name hn  ) 1.8 0 4.2  {W,  7.56,3.22e+04,0}
assign (resid 35 and name ha  ) (resid 35 and name hn  ) 1.8 0 3.2  {W,  5.24,9.22e+04,0}
assign (resid 34 and name ha  ) (resid 35 and name hn  ) 1.8 0 1.5  {M,  4.63,1.92e+05,0}
assign (resid 35 and name hb2 ) (resid 35 and name hn  ) 1.8 0 3.2  {W,  3.48,3.02e+04,0}
assign (resid 35 and name hb1 ) (resid 35 and name hn  ) 1.8 0 3.2  {W,  2.78,8.60e+04,0}
assign (resid 34 and name hg1 ) (resid 35 and name hn  ) 1.8 0 3.2  {W,  2.10,2.31e+04,0}
assign (resid 34 and name hb2 ) (resid 35 and name hn  ) 1.8 0 3.2  {W,  1.87,5.52e+04,0}
assign (resid 34 and name hb1 ) (resid 35 and name hn  ) 1.8 0 3.2  {W,  1.65,3.83e+04,0}
assign (resid 8 and name hg2*)  (resid 35 and name hn  ) 1.8 0 4.2  {W,  0.90,3.19e+04,0}
assign (resid 37 and name ha2 ) (resid 37 and name hn  ) 1.8 0 3.2  {W,  4.79,1.01e+05,0}
assign (resid 36 and name ha  ) (resid 37 and name hn  ) 1.8 0 1.0  {S,  4.66,3.04e+05,0}
assign (resid 37 and name ha1 ) (resid 37 and name hn  ) 1.8 0 3.2  {W,  3.81,6.70e+04,0}
assign (resid 36 and name hb2 ) (resid 37 and name hn  ) 1.8 0 3.2  {W,  2.22,5.75e+04,0}
assign (resid 36 and name hb1 ) (resid 37 and name hn  ) 1.8 0 3.2  {W,  1.77,4.66e+04,0}
assign (resid 6 and name hd* )  (resid 37 and name hn  ) 1.8 0 3.2  {W,  0.67,3.09e+04,0}
assign (resid 39 and name hn  ) (resid 38 and name hn  ) 1.8 0 3.2  { }
assign (resid 7 and name hn  )  (resid 38 and name hn  ) 1.8 0 3.2  {W,  9.08,2.89e+04,1}
assign (resid 37 and name ha2 ) (resid 38 and name hn  ) 1.8 0 1.5  {M,  4.80,9.97e+04,0}
assign (resid 98 and name ha  ) (resid 38 and name hn  ) 1.8 0 3.2  {W,  4.26,4.50e+04,0}
assign (resid 38 and name ha* ) (resid 38 and name hn  ) 1.8 0 4.2  {W,  4.09,5.47e+04,0}
assign (resid 37 and name ha1 ) (resid 38 and name hn  ) 1.8 0 3.2  {W,  3.81,5.07e+04,0}
assign (resid 98 and name hb* ) (resid 38 and name hn  ) 1.8 0 4.2  {W,  2.05,2.20e+04,0}
assign (resid 7 and name hb* )  (resid 38 and name hn  ) 1.8 0 4.2  {W,  1.30,2.33e+04,0}
assign (resid 6 and name hg2*)  (resid 38 and name hn  ) 1.8 0 4.2  {W,  0.41,3.10e+04,0}
assign (resid 40 and name hn  ) (resid 39 and name hn  ) 1.8 0 3.2  {W,  8.22,2.58e+04,-1}
assign (resid 39 and name ha  ) (resid 39 and name hn  ) 1.8 0 3.2  {W,  4.42,3.08e+04,0}
assign (resid 38 and name ha* ) (resid 39 and name hn  ) 1.8 0 4.2  {W,  4.09,5.23e+04,0}
assign (resid 39 and name hd* ) (resid 39 and name hn  ) 1.8 0 3.0  {M,  1.79,9.83e+04,0}
assign (resid 7 and name hn  )  (resid 40 and name hn  ) 1.8 0 3.2  {W,  9.06,3.23e+04,1}
assign (resid 6 and name ha  )  (resid 40 and name hn  ) 1.8 0 1.5  {M,  4.56,9.11e+04,0}
assign (resid 39 and name ha  ) (resid 40 and name hn  ) 1.8 0 1.0  {S,  4.42,2.94e+05,0}
assign (resid 40 and name ha  ) (resid 40 and name hn  ) 1.8 0 3.2  {W,  3.81,5.78e+04,0}
assign (resid 39 and name hd* ) (resid 40 and name hn  ) 1.8 0 4.2  {W,  1.77,7.21e+04,0}
assign (resid 39 and name hg1 ) (resid 40 and name hn  ) 1.8 0 3.2  {W,  1.33,6.79e+04,0}
assign (resid 4 and name hd* )  (resid 40 and name hn  ) 1.8 0 4.7  {W,  0.97,2.44e+04,0}
assign (resid 40 and name hg1*) (resid 40 and name hn  ) 1.8 0 4.2  {W,  0.76,8.09e+04,0}
assign (resid 40 and name hg2*) (resid 40 and name hn  ) 1.8 0 4.2  {W,  0.76,8.09e+04,0}
assign (resid 40 and name hd* ) (resid 40 and name hn  ) 1.8 0 3.2  {W,  0.58,5.37e+04,0}
assign (resid 41 and name ha  ) (resid 41 and name hn  ) 1.8 0 3.2  {W,  4.37,9.54e+04,0}
assign (resid 40 and name ha  ) (resid 41 and name hn  ) 1.8 0 1.0  {S,  3.81,3.47e+05,0}
assign (resid 41 and name hg2 ) (resid 41 and name hn  ) 1.8 0 3.2  {W,  2.38,7.61e+04,0}
assign (resid 41 and name hg1 ) (resid 41 and name hn  ) 1.8 0 3.2  {W,  2.29,1.02e+05,0}
assign (resid 41 and name hb* ) (resid 41 and name hn  ) 1.8 0 2.5  {M,  2.12,1.45e+05,0}
assign (resid 40 and name hb  ) (resid 41 and name hn  ) 1.8 0 2.0  {M,  1.63,1.87e+05,0}
assign (resid 39 and name hg1 ) (resid 41 and name hn  ) 1.8 0 3.2  {W,  1.37,7.23e+04,0}
assign (resid 40 and name hg1*) (resid 41 and name hn  ) 1.8 0 4.2  {W,  0.79,1.13e+05,0}
assign (resid 40 and name hg2*) (resid 41 and name hn  ) 1.8 0 4.2  {W,  0.79,1.13e+05,0}
assign (resid 42 and name ha  ) (resid 42 and name hn  ) 1.8 0 3.2  {W,  4.23,1.95e+05,0}
assign (resid 42 and name hg* ) (resid 42 and name hn  ) 1.8 0 4.2  {W,  2.66,1.01e+05,0}
assign (resid 41 and name hg2 ) (resid 42 and name hn  ) 1.8 0 3.2  {W,  2.38,4.60e+04,0}
assign (resid 41 and name hg1 ) (resid 42 and name hn  ) 1.8 0 3.2  {W,  2.26,5.43e+04,0}
assign (resid 42 and name hb* ) (resid 42 and name hn  ) 1.8 0 2.0  {S,  2.10,7.87e+05,0}
assign (resid 40 and name hb  ) (resid 42 and name hn  ) 1.8 0 3.7  {W,  1.63,1.09e+05,0}
assign (resid 42 and name he* ) (resid 42 and name hn  ) 1.8 0 4.2  {W,  1.63,1.09e+05,0}
assign (resid 45 and name hn  ) (resid 44 and name hn  ) 1.8 0 3.2  {W,  8.19,3.96e+04,-1}
assign (resid 44 and name ha  ) (resid 44 and name hn  ) 1.8 0 3.2  {W,  4.72,2.92e+05,0}
assign (resid 43 and name ha2 ) (resid 44 and name hn  ) 1.8 0 3.2  {W,  4.21,1.19e+05,0}
assign (resid 43 and name ha1 ) (resid 44 and name hn  ) 1.8 0 3.2  {W,  3.74,7.27e+04,0}
assign (resid 48 and name hb2 ) (resid 44 and name hn  ) 1.8 0 3.2  {W,  2.33,7.93e+04,0}
assign (resid 42 and name hb* ) (resid 44 and name hn  ) 1.8 0 4.2  {W,  2.10,2.76e+05,0}
assign (resid 40 and name hg1*) (resid 44 and name hn  ) 1.8 0 4.7  {W,  0.79,4.14e+04,0}
assign (resid 48 and name hn  ) (resid 45 and name hn  ) 1.8 0 3.2  {W,  7.49,5.53e+04,1}
assign (resid 46 and name ha  ) (resid 45 and name hn  ) 1.8 0 3.7  {W,  3.80,2.99e+04,0}
assign (resid 45 and name hb  ) (resid 45 and name hn  ) 1.8 0 3.2  {W,  3.67,3.44e+04,0}
assign (resid 46 and name hd* ) (resid 45 and name hn  ) 1.8 0 3.2  {W,  3.67,3.44e+04,0}
assign (resid 48 and name hb2 ) (resid 45 and name hn  ) 1.8 0 1.5  {M,  2.29,2.28e+05,0}
assign (resid 44 and name hg* ) (resid 45 and name hn  ) 1.8 0 4.2  {W,  2.29,2.28e+05,0}
assign (resid 44 and name hb1 ) (resid 45 and name hn  ) 1.8 0 3.2  {M,  2.01,2.05e+05,0}
assign (resid 44 and name hb2 ) (resid 45 and name hn  ) 1.8 0 3.2  {M,  2.01,2.05e+05,0}
assign (resid 48 and name hb1 ) (resid 45 and name hn  ) 1.8 0 3.2  {M,  2.01,2.05e+05,0}
assign (resid 45 and name hg2*) (resid 45 and name hn  ) 1.8 0 3.5  {M,  1.28,3.06e+05,0}
assign (resid 40 and name hg1*) (resid 45 and name hn  ) 1.8 0 4.2  {W,  0.78,2.06e+04,0}
assign (resid 48 and name hn  ) (resid 47 and name hn  ) 1.8 0 1.5  {M,  7.49,7.35e+04,1}
assign (resid 45 and name ha  ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  4.70,5.78e+04,0}
assign (resid 46 and name ha  ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  3.79,2.96e+04,0}
assign (resid 45 and name hb  ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  3.67,5.43e+04,0}
assign (resid 46 and name hd* ) (resid 47 and name hn  ) 1.8 0 4.2  {W,  3.67,5.43e+04,0}
assign (resid 47 and name ha  ) (resid 47 and name hn  ) 1.8 0 1.5  {M,  3.03,8.21e+04,0}
assign (resid 47 and name hg2 ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  2.21,2.45e+04,0}
assign (resid 48 and name hb2 ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  2.21,2.45e+04,0}
assign (resid 47 and name hb2 ) (resid 47 and name hn  ) 1.8 0 1.5  {M,  1.89,1.20e+05,0}
assign (resid 47 and name hb1 ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  1.68,5.89e+04,0}
assign (resid 46 and name hb2 ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  1.56,5.55e+04,0}
assign (resid 49 and name hb* ) (resid 47 and name hn  ) 1.8 0 4.2  {W,  1.39,2.42e+04,0}
assign (resid 45 and name hg2*) (resid 47 and name hn  ) 1.8 0 4.2  {W,  1.28,2.97e+04,0}
assign (resid 46 and name hb1 ) (resid 47 and name hn  ) 1.8 0 3.2  {W,  1.13,2.13e+04,0}
assign (resid 47 and name hn  ) (resid 48 and name hn  ) 1.8 0 3.2  {W,  8.99,1.16e+05,1}
assign (resid 50 and name hn  ) (resid 48 and name hn  ) 1.8 0 3.2  { }
assign (resid 51 and name hn  ) (resid 48 and name hn  ) 1.8 0 3.2  { }
assign (resid 49 and name hn  ) (resid 48 and name hn  ) 1.8 0 1.5  {M,  8.17,3.07e+05,1}
assign (resid 45 and name ha  ) (resid 48 and name hn  ) 1.8 0 3.7  {W,  4.70,8.18e+04,0}
assign (resid 49 and name ha  ) (resid 48 and name hn  ) 1.8 0 3.7  {W,  4.05,3.10e+04,0}
assign (resid 48 and name ha  ) (resid 48 and name hn  ) 1.8 0 3.2  {W,  3.79,1.84e+05,0}
assign (resid 45 and name hb  ) (resid 48 and name hn  ) 1.8 0 3.2  {W,  3.65,2.16e+04,0}
assign (resid 47 and name ha  ) (resid 48 and name hn  ) 1.8 0 3.2  {W,  3.03,4.87e+04,0}
assign (resid 48 and name hg* ) (resid 48 and name hn  ) 1.8 0 2.5  {M,  2.40,2.60e+05,0}
assign (resid 48 and name hb2 ) (resid 48 and name hn  ) 1.8 0 1.5  {M,  2.26,2.47e+05,0}
assign (resid 48 and name hb1 ) (resid 48 and name hn  ) 1.8 0 2.0  {M,  2.00,2.03e+05,0}
assign (resid 47 and name hb2 ) (resid 48 and name hn  ) 1.8 0 3.2  {W,  1.89,1.33e+05,0}
assign (resid 47 and name hb1 ) (resid 48 and name hn  ) 1.8 0 3.2  {W,  1.70,8.31e+04,0}
assign (resid 45 and name hg2*) (resid 48 and name hn  ) 1.8 0 4.2  {W,  1.28,4.88e+04,0}
assign (resid 47 and name hg2*) (resid 48 and name hn  ) 1.8 0 4.2  {W,  1.28,4.88e+04,0}
assign (resid 51 and name hg1*) (resid 48 and name hn  ) 1.8 0 4.2  {W,  0.85,2.48e+04,0}
assign (resid 51 and name hg2*) (resid 48 and name hn  ) 1.8 0 4.7  {W,  0.85,2.48e+04,0}
assign (resid 48 and name hn  ) (resid 49 and name hn  ) 1.8 0 1.5  {M,  7.49,4.87e+05,1}
assign (resid 51 and name hn  ) (resid 49 and name hn  ) 1.8 0 4.2  { }
assign (resid 44 and name ha  ) (resid 49 and name hn  ) 1.8 0 4.2  {W,  4.71,2.32e+04,0}
assign (resid 49 and name ha  ) (resid 49 and name hn  ) 1.8 0 3.2  {W,  4.04,2.08e+05,0}
assign (resid 43 and name ha1 ) (resid 49 and name hn  ) 1.8 0 3.2  {W,  3.79,1.79e+05,0}
assign (resid 46 and name ha  ) (resid 49 and name hn  ) 1.8 0 3.2  {W,  3.79,1.79e+05,0}
assign (resid 48 and name ha  ) (resid 49 and name hn  ) 1.8 0 3.2  {W,  3.79,1.79e+05,0}
assign (resid 48 and name hg* ) (resid 49 and name hn  ) 1.8 0 4.2  {W,  2.38,8.40e+04,0}
assign (resid 48 and name hb2 ) (resid 49 and name hn  ) 1.8 0 3.2  {W,  2.27,1.80e+05,0}
assign (resid 48 and name hb1 ) (resid 49 and name hn  ) 1.8 0 3.2  {W,  2.00,1.56e+05,0}
assign (resid 47 and name hb2 ) (resid 49 and name hn  ) 1.8 0 3.2  {W,  1.83,3.14e+04,0}
assign (resid 49 and name hb* ) (resid 49 and name hn  ) 1.8 0 2.0  {S,  1.37,5.29e+05,0}
assign (resid 40 and name hg1*) (resid 49 and name hn  ) 1.8 0 4.2  {W,  0.78,5.16e+04,0}
assign (resid 49 and name hn  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  8.17,1.22e+05,1}
assign (resid 51 and name hn  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  6.65,1.27e+05,1}
assign (resid 49 and name ha  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  4.04,3.42e+04,0}
assign (resid 46 and name ha  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  3.80,3.59e+04,0}
assign (resid 48 and name ha  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  3.80,3.59e+04,0}
assign (resid 50 and name ha  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  3.51,1.21e+05,0}
assign (resid 47 and name ha  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  3.04,5.07e+04,0}
assign (resid 51 and name hb  ) (resid 50 and name hn  ) 1.8 0 3.2  {W,  1.91,2.61e+04,0}
assign (resid 49 and name hb* ) (resid 50 and name hn  ) 1.8 0 2.0  {S,  1.37,3.68e+05,0}
assign (resid 50 and name hb  ) (resid 50 and name hn  ) 1.8 0 1.0  {S,  1.37,3.68e+05,0}
assign (resid 51 and name hg1*) (resid 50 and name hn  ) 1.8 0 4.2  {W,  0.79,3.46e+04,0}
assign (resid 50 and name hg2*) (resid 50 and name hn  ) 1.8 0 4.2  {W,  0.55,6.92e+04,0}
assign (resid 50 and name hn  ) (resid 51 and name hn  ) 1.8 0 1.5  {M,  7.49,2.47e+05,1}
assign (resid 53 and name hn  ) (resid 51 and name hn  ) 1.8 0 3.2  { }
assign (resid 52 and name hn  ) (resid 51 and name hn  ) 1.8 0 3.2  { }
assign (resid 49 and name ha  ) (resid 51 and name hn  ) 1.8 0 3.2  {W,  4.05,3.32e+04,0}
assign (resid 48 and name ha  ) (resid 51 and name hn  ) 1.8 0 3.2  {W,  3.81,6.45e+04,0}
assign (resid 50 and name ha  ) (resid 51 and name hn  ) 1.8 0 3.2  {W,  3.51,3.41e+04,0}
assign (resid 51 and name ha  ) (resid 51 and name hn  ) 1.8 0 3.2  {W,  3.06,1.58e+05,0}
assign (resid 53 and name hg1 ) (resid 51 and name hn  ) 1.8 0 3.7  {W,  2.05,2.10e+04,0}
assign (resid 51 and name hb  ) (resid 51 and name hn  ) 1.8 0 1.5  {M,  1.91,3.57e+05,0}
assign (resid 50 and name hb  ) (resid 51 and name hn  ) 1.8 0 3.2  {W,  1.37,6.40e+04,0}
assign (resid 51 and name hg2*) (resid 51 and name hn  ) 1.8 0 2.5  {M,  0.79,3.80e+05,0}
assign (resid 51 and name hg1*) (resid 51 and name hn  ) 1.8 0 2.5  {M,  0.79,3.80e+05,0}
assign (resid 50 and name hg1*) (resid 51 and name hn  ) 1.8 0 2.5  {M, -0.20,2.39e+05,0}
assign (resid 53 and name hn  ) (resid 52 and name hn  ) 1.8 0 3.2  {W,  8.92,1.30e+05,1}
assign (resid 56 and name hn  ) (resid 52 and name hn  ) 1.8 0 4.2  { }
assign (resid 49 and name hn  ) (resid 52 and name hn  ) 1.8 0 4.2  { }
assign (resid 54 and name hn  ) (resid 52 and name hn  ) 1.8 0 4.2  { }
assign (resid 51 and name hn  ) (resid 52 and name hn  ) 1.8 0 1.5  {M,  6.65,1.96e+05,1}
assign (resid 52 and name ha  ) (resid 52 and name hn  ) 1.8 0 1.5  {M,  4.07,1.90e+05,0}
assign (resid 50 and name ha  ) (resid 52 and name hn  ) 1.8 0 4.2  { }
assign (resid 48 and name ha  ) (resid 52 and name hn  ) 1.8 0 3.2  {W,  3.79,2.85e+04,0}
assign (resid 51 and name ha  ) (resid 52 and name hn  ) 1.8 0 3.2  {W,  3.06,4.88e+04,0}
assign (resid 48 and name hg* ) (resid 52 and name hn  ) 1.8 0 4.2  {W,  2.45,3.00e+04,0}
assign (resid 56 and name hg1 ) (resid 52 and name hn  ) 1.8 0 4.2  {W,  2.33,2.24e+04,0}
assign (resid 51 and name hb  ) (resid 52 and name hn  ) 1.8 0 2.0  {M,  1.91,2.64e+05,0}
assign (resid 52 and name hb2 ) (resid 52 and name hn  ) 1.8 0 1.5  {M,  1.84,2.37e+05,0}
assign (resid 52 and name hb1 ) (resid 52 and name hn  ) 1.8 0 2.0  {M,  1.68,2.28e+05,0}
assign (resid 52 and name hg* ) (resid 52 and name hn  ) 1.8 0 4.2  {W,  1.51,4.86e+04,0}
assign (resid 51 and name hg1*) (resid 52 and name hn  ) 1.8 0 4.2  {W,  0.86,8.04e+04,0}
assign (resid 51 and name hg2*) (resid 52 and name hn  ) 1.8 0 4.2  {W,  0.79,8.90e+04,0}
assign (resid 50 and name hg1*) (resid 52 and name hn  ) 1.8 0 4.2  {W, -0.20,2.33e+04,0}
assign (resid 54 and name hn  ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  7.96,8.80e+04,1}
assign (resid 55 and name hn  ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  7.96,8.80e+04,1}
assign (resid 52 and name hn  ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  7.52,1.27e+05,1}
assign (resid 52 and name ha  ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  4.07,8.34e+04,0}
assign (resid 51 and name ha  ) (resid 53 and name hn  ) 1.8 0 4.2  { }
assign (resid 49 and name ha  ) (resid 53 and name hn  ) 1.8 0 3.2  { }
assign (resid 53 and name ha  ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  3.97,1.36e+05,0}
assign (resid 48 and name ha  ) (resid 53 and name hn  ) 1.8 0 3.7  {W,  3.81,2.62e+04,0}
assign (resid 50 and name ha  ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  3.53,4.17e+04,0}
assign (resid 52 and name hd2 ) (resid 53 and name hn  ) 1.8 0 4.2  {W,  3.37,2.09e+04,0}
assign (resid 53 and name hg2 ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  2.31,1.31e+05,0}
assign (resid 53 and name hg1 ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  2.03,1.05e+05,0}
assign (resid 52 and name hb1 ) (resid 53 and name hn  ) 1.8 0 3.2  {W,  1.68,1.21e+05,0}
assign (resid 52 and name hg* ) (resid 53 and name hn  ) 1.8 0 4.2  {W,  1.54,5.28e+04,0}
assign (resid 53 and name hn  ) (resid 54 and name hn  ) 1.8 0 3.2  {W,  8.92,5.87e+04,1}
assign (resid 55 and name hn  ) (resid 54 and name hn  ) 1.8 0 3.2  { }
assign (resid 56 and name hn  ) (resid 54 and name hn  ) 1.8 0 3.2  {W,  8.19,3.16e+04,-1}
assign (resid 54 and name ha  ) (resid 54 and name hn  ) 1.8 0 1.5  {M,  3.97,1.39e+05,0}
assign (resid 53 and name ha  ) (resid 54 and name hn  ) 1.8 0 3.2  { }
assign (resid 50 and name ha  ) (resid 54 and name hn  ) 1.8 0 3.2  { }
assign (resid 51 and name ha  ) (resid 54 and name hn  ) 1.8 0 3.2  {W,  3.06,2.31e+04,0}
assign (resid 56 and name hb* ) (resid 54 and name hn  ) 1.8 0 4.2  {W,  2.10,2.96e+04,0}
assign (resid 53 and name hg1 ) (resid 54 and name hn  ) 1.8 0 3.2  {W,  1.98,6.06e+04,0}
assign (resid 54 and name hb2 ) (resid 54 and name hn  ) 1.8 0 1.5  {M,  1.79,1.99e+05,0}
assign (resid 54 and name hb1 ) (resid 54 and name hn  ) 1.8 0 3.2  {W,  1.26,5.76e+04,0}
assign (resid 54 and name hd2*) (resid 54 and name hn  ) 1.8 0 4.2  {W,  0.65,1.17e+05,0}
assign (resid 50 and name hg2*) (resid 54 and name hn  ) 1.8 0 4.2  {W,  0.53,2.76e+04,0}
assign (resid 56 and name hn  ) (resid 55 and name hn  ) 1.8 0 3.2  {W,  8.24,1.63e+05,1}
assign (resid 57 and name hn  ) (resid 55 and name hn  ) 1.8 0 3.2  { }
assign (resid 53 and name hn  ) (resid 55 and name hn  ) 1.8 0 3.2  { }
assign (resid 54 and name hn  ) (resid 55 and name hn  ) 1.8 0 1.5  {M,  7.96,2.10e+05,-1}
assign (resid 55 and name ha  ) (resid 55 and name hn  ) 1.8 0 1.5  {M,  4.00,2.49e+05,0}
assign (resid 54 and name ha  ) (resid 55 and name hn  ) 1.8 0 3.2  { }
assign (resid 52 and name ha  ) (resid 55 and name hn  ) 1.8 0 3.2  { }
assign (resid 51 and name ha  ) (resid 55 and name hn  ) 1.8 0 4.2  { }
assign (resid 55 and name hg2 ) (resid 55 and name hn  ) 1.8 0 3.2  {W,  2.75,1.78e+05,0}
assign (resid 55 and name hb* ) (resid 55 and name hn  ) 1.8 0 2.5  {M,  2.45,2.13e+05,0}
assign (resid 55 and name hg1 ) (resid 55 and name hn  ) 1.8 0 3.2  {W,  2.21,9.09e+04,0}
assign (resid 52 and name hb2 ) (resid 55 and name hn  ) 1.8 0 4.2  {W,  1.86,1.67e+05,0}
assign (resid 54 and name hb2 ) (resid 55 and name hn  ) 1.8 0 3.2  {W,  1.75,8.92e+04,0}
assign (resid 54 and name hb1 ) (resid 55 and name hn  ) 1.8 0 3.2  {W,  1.26,2.20e+04,0}
assign (resid 54 and name hd1*) (resid 55 and name hn  ) 1.8 0 4.2  {W,  0.67,4.35e+04,0}
assign (resid 57 and name hn  ) (resid 56 and name hn  ) 1.8 0 1.5  {M,  8.87,1.33e+05,1}
assign (resid 58 and name hn  ) (resid 56 and name hn  ) 1.8 0 4.2  { }
assign (resid 55 and name hn  ) (resid 56 and name hn  ) 1.8 0 1.5  {M,  8.07,1.40e+05,1}
assign (resid 56 and name ha  ) (resid 56 and name hn  ) 1.8 0 1.5  {M,  3.97,2.58e+05,0}
assign (resid 55 and name ha  ) (resid 56 and name hn  ) 1.8 0 3.2  { }
assign (resid 53 and name ha  ) (resid 56 and name hn  ) 1.8 0 3.2  { }
assign (resid 52 and name ha  ) (resid 56 and name hn  ) 1.8 0 4.2  { }
assign (resid 55 and name hg2 ) (resid 56 and name hn  ) 1.8 0 3.2  {W,  2.73,2.68e+04,0}
assign (resid 56 and name hg2 ) (resid 56 and name hn  ) 1.8 0 1.5  {M,  2.54,1.40e+05,0}
assign (resid 56 and name hg1 ) (resid 56 and name hn  ) 1.8 0 3.2  {W,  2.26,1.03e+05,0}
assign (resid 56 and name hb* ) (resid 56 and name hn  ) 1.8 0 2.5  {M,  2.05,1.46e+05,0}
assign (resid 52 and name hb2 ) (resid 56 and name hn  ) 1.8 0 4.2  {W,  1.86,8.66e+04,0}
assign (resid 56 and name hn  ) (resid 57 and name hn  ) 1.8 0 3.2  {W,  8.22,7.28e+04,1}
assign (resid 58 and name hn  ) (resid 57 and name hn  ) 1.8 0 3.2  {W,  7.49,8.58e+04,1}
assign (resid 59 and name hn  ) (resid 57 and name hn  ) 1.8 0 3.2  {W,  7.30,2.28e+04,1}
assign (resid 56 and name ha  ) (resid 57 and name hn  ) 1.8 0 3.2  {W,  3.97,6.57e+04,0}
assign (resid 54 and name ha  ) (resid 57 and name hn  ) 1.8 0 3.2  { }
assign (resid 53 and name ha  ) (resid 57 and name hn  ) 1.8 0 3.2  { }
assign (resid 55 and name hb* ) (resid 57 and name hn  ) 1.8 0 4.2  {W,  2.45,8.45e+04,0}
assign (resid 57 and name hb* ) (resid 57 and name hn  ) 1.8 0 2.5  {M,  2.08,1.56e+05,0}
assign (resid 57 and name hn  ) (resid 58 and name hn  ) 1.8 0 1.5  {M,  8.87,6.76e+04,1}
assign (resid 59 and name hn  ) (resid 58 and name hn  ) 1.8 0 1.5  { }
assign (resid 60 and name hn  ) (resid 58 and name hn  ) 1.8 0 3.2  { }
assign (resid 95 and name he3 ) (resid 58 and name hn  ) 1.8 0 3.7  {W,  7.70,2.07e+04,0}
assign (resid 59 and name hn  ) (resid 58 and name hn  ) 1.8 0 1.5  {M,  7.32,1.23e+05,1}
assign (resid 59 and name ha2 ) (resid 58 and name hn  ) 1.8 0 3.2  {W,  4.21,3.35e+04,0}
assign (resid 55 and name ha  ) (resid 58 and name hn  ) 1.8 0 3.2  {W,  3.97,5.91e+04,0}
assign (resid 57 and name ha  ) (resid 58 and name hn  ) 1.8 0 3.2  { }
assign (resid 55 and name ha  ) (resid 58 and name hn  ) 1.8 0 3.2  { }
assign (resid 54 and name ha  ) (resid 58 and name hn  ) 1.8 0 3.2  { }
assign (resid 57 and name hb* ) (resid 58 and name hn  ) 1.8 0 4.2  {W,  2.08,4.99e+04,0}
assign (resid 58 and name hg1*) (resid 58 and name hn  ) 1.8 0 2.5  {M,  0.69,1.20e+05,0}
assign (resid 57 and name hn  ) (resid 59 and name hn  ) 1.8 0 3.2  {W,  8.87,2.98e+04,1}
assign (resid 60 and name hn  ) (resid 59 and name hn  ) 1.8 0 3.2  { }
assign (resid 58 and name hn  ) (resid 59 and name hn  ) 1.8 0 1.5  {M,  7.49,1.61e+05,1}
assign (resid 60 and name hn  ) (resid 59 and name hn  ) 1.8 0 3.2  {W,  6.88,7.56e+04,1}
assign (resid 59 and name ha2 ) (resid 59 and name hn  ) 1.8 0 1.5  {M,  4.16,1.21e+05,0}
assign (resid 58 and name hb  ) (resid 59 and name hn  ) 1.8 0 3.2  {W,  2.17,2.51e+04,0}
assign (resid 58 and name hg1*) (resid 59 and name hn  ) 1.8 0 4.2  {W,  0.69,5.25e+04,0}
assign (resid 58 and name hg2*) (resid 59 and name hn  ) 1.8 0 4.2  {W,  0.69,5.25e+04,0}
assign (resid 59 and name hn  ) (resid 60 and name hn  ) 1.8 0 3.2  {W,  7.32,9.58e+04,1}
assign (resid 60 and name ha  ) (resid 60 and name hn  ) 1.8 0 3.2  {W,  5.19,8.10e+04,0}
assign (resid 59 and name ha2 ) (resid 60 and name hn  ) 1.8 0 3.2  {W,  4.16,3.53e+04,0}
assign (resid 55 and name ha  ) (resid 60 and name hn  ) 1.8 0 2.0  {M,  3.99,1.88e+05,0}
assign (resid 60 and name hb  ) (resid 60 and name hn  ) 1.8 0 3.2  {W,  1.72,4.58e+04,0}
assign (resid 60 and name hg12) (resid 60 and name hn  ) 1.8 0 3.2  {W,  0.95,7.29e+04,0}
assign (resid 58 and name hg1*) (resid 60 and name hn  ) 1.8 0 4.2  {W,  0.69,1.06e+05,0}
assign (resid 60 and name hg11) (resid 60 and name hn  ) 1.8 0 3.2  {W,  0.39,1.09e+05,0}
assign (resid 60 and name hg2*) (resid 60 and name hn  ) 1.8 0 4.2  {W,  0.27,8.93e+04,0}
assign (resid 60 and name hn  ) (resid 61 and name hn  ) 1.8 0 3.2  { }
assign (resid 60 and name ha  ) (resid 61 and name hn  ) 1.8 0 1.5  {M,  5.17,1.59e+05,0}
assign (resid 61 and name ha  ) (resid 61 and name hn  ) 1.8 0 3.2  {W,  4.82,5.59e+04,0}
assign (resid 61 and name hb  ) (resid 61 and name hn  ) 1.8 0 1.5  {M,  4.07,9.29e+04,0}
assign (resid 60 and name hb  ) (resid 61 and name hn  ) 1.8 0 3.2  {W,  1.68,8.03e+04,0}
assign (resid 60 and name hg2*) (resid 61 and name hn  ) 1.8 0 4.2  {W,  0.27,4.59e+04,0}
assign (resid 60 and name hd1*) (resid 61 and name hn  ) 1.8 0 4.2  {W,  0.06,2.54e+04,0}
assign (resid 91 and name hn  ) (resid 63 and name hn  ) 1.8 0 3.2  {W,  8.41,4.94e+04,-1}
assign (resid 64 and name hn  ) (resid 63 and name hn  ) 1.8 0 1.5  {M,  8.00,1.94e+05,1}
assign (resid 90 and name ha  ) (resid 63 and name hn  ) 1.8 0 1.5  {M,  5.15,1.65e+05,0}
assign (resid 64 and name ha  ) (resid 63 and name hn  ) 1.8 0 3.7  {W,  5.05,4.86e+04,0}
assign (resid 63 and name ha  ) (resid 63 and name hn  ) 1.8 0 1.5  {M,  4.72,9.49e+04,0}
assign (resid 62 and name ha  ) (resid 63 and name hn  ) 1.8 0 1.5  {S,  4.35,2.85e+05,0}
assign (resid 90 and name hb2 ) (resid 63 and name hn  ) 1.8 0 3.7  {W,  3.20,4.85e+04,0}
assign (resid 90 and name hb1 ) (resid 63 and name hn  ) 1.8 0 3.2  {W,  2.76,3.23e+04,0}
assign (resid 63 and name hg2 ) (resid 63 and name hn  ) 1.8 0 3.2  {W,  2.42,4.76e+04,0}
assign (resid 63 and name hg1 ) (resid 63 and name hn  ) 1.8 0 3.2  {W,  2.31,4.07e+04,0}
assign (resid 63 and name hb2 ) (resid 63 and name hn  ) 1.8 0 3.2  {W,  2.03,6.56e+04,0}
assign (resid 62 and name hb2 ) (resid 63 and name hn  ) 1.8 0 3.7  {W,  1.84,4.25e+04,0}
assign (resid 63 and name hb1 ) (resid 63 and name hn  ) 1.8 0 2.0  {M,  1.65,1.31e+05,0}
assign (resid 61 and name hg2*) (resid 63 and name hn  ) 1.8 0 4.7  {W,  1.19,4.00e+04,0}
assign (resid 63 and name hn  ) (resid 64 and name hn  ) 1.8 0 1.5  {M,  9.09,1.26e+05,1}
assign (resid 89 and name hn  ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  8.19,7.57e+04,1}
assign (resid 65 and name hd* ) (resid 64 and name hn  ) 1.8 0 4.2  {W,  6.79,2.32e+04,0}
assign (resid 90 and name ha  ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  5.17,2.34e+04,0}
assign (resid 64 and name ha  ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  5.05,6.71e+04,0}
assign (resid 63 and name ha  ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  4.72,1.32e+05,0}
assign (resid 62 and name ha  ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  4.33,2.86e+04,0}
assign (resid 64 and name hb2 ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  3.18,5.49e+04,0}
assign (resid 64 and name hb1 ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  3.04,6.59e+04,0}
assign (resid 63 and name hb2 ) (resid 64 and name hn  ) 1.8 0 3.2  {W,  2.01,6.91e+04,0}
assign (resid 63 and name hb1 ) (resid 64 and name hn  ) 1.8 0 3.0  {M,  1.63,9.85e+04,0}
assign (resid 87 and name hg2*) (resid 64 and name hn  ) 1.8 0 4.2  {W,  1.23,2.61e+04,0}
assign (resid 64 and name hn  ) (resid 65 and name hn  ) 1.8 0 3.2  {W,  8.01,2.41e+04,1}
assign (resid 65 and name hd* ) (resid 65 and name hn  ) 1.8 0 4.2  {W,  6.79,8.08e+04,0}
assign (resid 65 and name ha  ) (resid 65 and name hn  ) 1.8 0 3.2  {W,  5.95,8.65e+04,0}
assign (resid 64 and name ha  ) (resid 65 and name hn  ) 1.8 0 1.0  {S,  5.05,6.91e+05,0}
assign (resid 65 and name hb2 ) (resid 65 and name hn  ) 1.8 0 3.2  {W,  3.32,3.00e+04,0}
assign (resid 64 and name hb2 ) (resid 65 and name hn  ) 1.8 0 3.2  {W,  3.20,4.95e+04,0}
assign (resid 64 and name hb1 ) (resid 65 and name hn  ) 1.8 0 3.2  {W,  3.04,7.04e+04,0}
assign (resid 65 and name hb1 ) (resid 65 and name hn  ) 1.8 0 3.2  {W,  3.04,7.04e+04,0}
assign (resid 86 and name hn  ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  9.79,3.79e+04,1}
assign (resid 65 and name hn  ) (resid 66 and name hn  ) 1.8 0 3.2  { }
assign (resid 67 and name hn  ) (resid 66 and name hn  ) 1.8 0 3.2  { }
assign (resid 65 and name hn  ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  8.20,2.14e+04,-1}
assign (resid 65 and name ha  ) (resid 66 and name hn  ) 1.8 0 1.0  {S,  5.95,2.64e+05,0}
assign (resid 66 and name ha  ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  5.08,7.97e+04,0}
assign (resid 87 and name ha  ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  4.70,3.61e+04,0}
assign (resid 66 and name hb2 ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  4.04,3.21e+04,0}
assign (resid 66 and name hb1 ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  3.93,2.63e+04,0}
assign (resid 65 and name hb2 ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  3.34,7.43e+04,0}
assign (resid 85 and name hb* ) (resid 66 and name hn  ) 1.8 0 4.2  {W,  3.13,2.88e+04,0}
assign (resid 65 and name hb1 ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  3.04,9.57e+04,0}
assign (resid 86 and name hb1 ) (resid 66 and name hn  ) 1.8 0 3.2  {W,  1.12,2.37e+04,0}
assign (resid 85 and name he3 ) (resid 67 and name hn  ) 1.8 0 3.2  {W,  7.26,7.55e+04,0}
assign (resid 66 and name ha  ) (resid 67 and name hn  ) 1.8 0 1.0  {S,  5.08,4.98e+05,0}
assign (resid 66 and name hb2 ) (resid 67 and name hn  ) 1.8 0 3.2  {W,  4.04,1.25e+05,0}
assign (resid 66 and name hb1 ) (resid 67 and name hn  ) 1.8 0 1.5  {M,  3.93,1.66e+05,0}
assign (resid 67 and name ha  ) (resid 67 and name hn  ) 1.8 0 3.2  {W,  3.67,9.39e+04,0}
assign (resid 67 and name hb2 ) (resid 67 and name hn  ) 1.8 0 1.5  {M,  1.73,2.66e+05,0}
assign (resid 67 and name hg  ) (resid 67 and name hn  ) 1.8 0 3.2  {W,  1.06,4.66e+04,0}
assign (resid 67 and name hb2 ) (resid 67 and name hn  ) 1.8 0 3.2  {W,  1.06,4.66e+04,0}
assign (resid 67 and name hb1 ) (resid 67 and name hn  ) 1.8 0 1.5  {M,  0.88,2.32e+05,0}
assign (resid 67 and name hd1*) (resid 67 and name hn  ) 1.8 0 4.2  {W,  0.22,6.56e+04,0}
assign (resid 86 and name hn  ) (resid 68 and name hn  ) 1.8 0 3.2  {W,  9.79,3.32e+04,1}
assign (resid 69 and name hn  ) (resid 68 and name hn  ) 1.8 0 1.5  {M,  7.94,1.75e+05,1}
assign (resid 68 and name hd* ) (resid 68 and name hn  ) 1.8 0 4.2  {W,  7.07,2.74e+04,0}
assign (resid 68 and name ha  ) (resid 68 and name hn  ) 1.8 0 3.2  {W,  4.60,8.65e+04,0}
assign (resid 68 and name hb2 ) (resid 68 and name hn  ) 1.8 0 2.0  {M,  3.15,1.30e+05,0}
assign (resid 68 and name hb1 ) (resid 68 and name hn  ) 1.8 0 1.5  {M,  2.69,1.37e+05,0}
assign (resid 67 and name hg  ) (resid 68 and name hn  ) 1.8 0 3.2  {W,  1.07,7.31e+04,0}
assign (resid 67 and name hb1 ) (resid 68 and name hn  ) 1.8 0 3.2  {W,  0.86,3.87e+04,0}
assign (resid 86 and name hd2*) (resid 68 and name hn  ) 1.8 0 4.7  {W,  0.86,3.87e+04,0}
assign (resid 67 and name hd1*) (resid 68 and name hn  ) 1.8 0 2.5  {M,  0.22,1.46e+05,0}
assign (resid 68 and name hn  ) (resid 69 and name hn  ) 1.8 0 1.5  {M,  9.65,2.92e+05,1}
assign (resid 84 and name hn  ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  9.11,9.25e+04,1}
assign (resid 70 and name hn  ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  8.97,2.85e+04,1}
assign (resid 68 and name hd* ) (resid 69 and name hn  ) 1.8 0 4.2  {W,  7.07,5.43e+04,0}
assign (resid 68 and name hz  ) (resid 69 and name hn  ) 1.8 0 3.7  {W,  6.88,7.35e+04,0}
assign (resid 85 and name ha  ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  5.24,4.16e+04,0}
assign (resid 68 and name ha  ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  4.59,8.84e+04,0}
assign (resid 69 and name ha  ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  4.42,1.70e+05,0}
assign (resid 67 and name ha  ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  3.67,6.37e+04,0}
assign (resid 84 and name hb2 ) (resid 69 and name hn  ) 1.8 0 1.5  {M,  3.34,2.07e+05,0}
assign (resid 68 and name hb2 ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  3.15,1.19e+05,0}
assign (resid 68 and name hb1 ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  2.66,1.69e+05,0}
assign (resid 67 and name hb2 ) (resid 69 and name hn  ) 1.8 0 3.7  {W,  1.73,8.85e+04,0}
assign (resid 67 and name hg  ) (resid 69 and name hn  ) 1.8 0 3.2  {W,  1.07,1.01e+05,0}
assign (resid 86 and name hd2*) (resid 69 and name hn  ) 1.8 0 4.2  {W,  0.84,4.36e+04,0}
assign (resid 67 and name hd1*) (resid 69 and name hn  ) 1.8 0 4.2  {W,  0.22,1.69e+05,0}
assign (resid 69 and name hn  ) (resid 70 and name hn  ) 1.8 0 3.2  {W,  7.95,2.81e+04,1}
assign (resid 70 and name ha  ) (resid 70 and name hn  ) 1.8 0 3.2  {W,  5.24,1.27e+05,0}
assign (resid 71 and name ha  ) (resid 70 and name hn  ) 1.8 0 3.2  {W,  4.74,2.10e+04,0}
assign (resid 69 and name ha  ) (resid 70 and name hn  ) 1.8 0 1.0  {S,  4.42,8.34e+05,0}
assign (resid 70 and name hb2 ) (resid 70 and name hn  ) 1.8 0 2.5  {M,  1.42,2.71e+05,0}
assign (resid 70 and name hb1 ) (resid 70 and name hn  ) 1.8 0 3.2  {W,  1.14,1.39e+05,0}
assign (resid 67 and name hd2*) (resid 70 and name hn  ) 1.8 0 4.2  {W,  0.86,6.57e+04,0}
assign (resid 70 and name hd* ) (resid 70 and name hn  ) 1.8 0 4.2  {W,  0.69,2.50e+04,0}
assign (resid 70 and name hg2 ) (resid 70 and name hn  ) 1.8 0 3.2  {W,  0.32,2.65e+04,0}
assign (resid 82 and name hn  ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  9.44,8.34e+04,1}
assign (resid 84 and name he* ) (resid 71 and name hn  ) 1.8 0 4.2  {W,  7.31,5.01e+04,0}
assign (resid 84 and name hd* ) (resid 71 and name hn  ) 1.8 0 4.2  {W,  6.89,4.23e+04,0}
assign (resid 70 and name ha  ) (resid 71 and name hn  ) 1.8 0 1.0  {S,  5.24,5.65e+05,0}
assign (resid 71 and name ha  ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  4.79,1.18e+05,0}
assign (resid 83 and name ha  ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  4.56,3.26e+04,0}
assign (resid 71 and name hg  ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  1.56,8.95e+04,0}
assign (resid 71 and name hb1 ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  1.47,1.03e+05,0}
assign (resid 71 and name hd2*) (resid 71 and name hn  ) 1.8 0 4.2  {W,  1.09,1.13e+05,0}
assign (resid 82 and name hb1 ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  1.09,1.13e+05,0}
assign (resid 71 and name hd1*) (resid 71 and name hn  ) 1.8 0 4.2  {W,  0.88,5.34e+04,0}
assign (resid 70 and name hd* ) (resid 71 and name hn  ) 1.8 0 4.2  {W,  0.67,5.52e+04,0}
assign (resid 70 and name hg2 ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  0.32,7.80e+04,0}
assign (resid 70 and name hg1 ) (resid 71 and name hn  ) 1.8 0 3.2  {W,  0.04,6.78e+04,0}
assign (resid 73 and name hn  ) (resid 72 and name hn  ) 1.8 0 3.2  {W,  8.99,5.31e+04,-1}
assign (resid 72 and name ha  ) (resid 72 and name hn  ) 1.8 0 3.2  {W,  5.24,1.48e+05,0}
assign (resid 71 and name ha  ) (resid 72 and name hn  ) 1.8 0 1.0  {S,  4.79,8.25e+05,0}
assign (resid 72 and name hg2 ) (resid 72 and name hn  ) 1.8 0 3.2  {W,  2.19,5.88e+04,0}
assign (resid 72 and name hg1 ) (resid 72 and name hn  ) 1.8 0 3.2  {W,  2.07,1.06e+05,0}
assign (resid 71 and name hb2 ) (resid 72 and name hn  ) 1.8 0 1.5  {M,  1.77,4.25e+05,0}
assign (resid 72 and name hb* ) (resid 72 and name hn  ) 1.8 0 4.2  {W,  1.77,4.25e+05,0}
assign (resid 71 and name hb1 ) (resid 72 and name hn  ) 1.8 0 3.2  {W,  1.49,1.39e+05,0}
assign (resid 71 and name hd2*) (resid 72 and name hn  ) 1.8 0 4.2  {W,  1.07,5.48e+04,0}
assign (resid 71 and name hd1*) (resid 72 and name hn  ) 1.8 0 4.2  {W,  0.86,1.44e+05,0}
assign (resid 74 and name hn  ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  8.26,3.06e+04,-1}
assign (resid 80 and name hn  ) (resid 73 and name hn  ) 1.8 0 3.2  { }
assign (resid 82 and name hn  ) (resid 73 and name hn  ) 1.8 0 3.2  { }
assign (resid 73 and name hd* ) (resid 73 and name hn  ) 1.8 0 4.2  {W,  6.91,1.01e+05,0}
assign (resid 72 and name ha  ) (resid 73 and name hn  ) 1.8 0 1.0  {S,  5.24,8.20e+05,0}
assign (resid 81 and name ha  ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  5.05,1.03e+05,0}
assign (resid 74 and name ha  ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  4.65,5.41e+04,0}
assign (resid 73 and name ha  ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  4.54,1.77e+05,0}
assign (resid 73 and name hb2 ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  2.66,1.23e+05,0}
assign (resid 73 and name hb1 ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  2.55,1.65e+05,0}
assign (resid 72 and name hg2 ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  2.17,4.44e+04,0}
assign (resid 72 and name hg1 ) (resid 73 and name hn  ) 1.8 0 3.2  {W,  2.08,3.28e+04,0}
assign (resid 72 and name hb* ) (resid 73 and name hn  ) 1.8 0 4.2  {W,  1.77,2.53e+05,0}
assign (resid 71 and name hd2*) (resid 73 and name hn  ) 1.8 0 4.2  {W,  1.04,2.11e+04,0}
assign (resid 71 and name hd1*) (resid 73 and name hn  ) 1.8 0 4.2  {W,  0.90,6.37e+04,0}
assign (resid 80 and name hg2*) (resid 73 and name hn  ) 1.8 0 4.2  {W,  0.90,6.37e+04,0}
assign (resid 75 and name hn  ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  8.66,3.39e+04,-1}
assign (resid 73 and name hd* ) (resid 74 and name hn  ) 1.8 0 4.2  {W,  6.91,3.13e+04,0}
assign (resid 75 and name ha  ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  5.05,2.33e+04,0}
assign (resid 74 and name ha  ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  4.70,2.28e+05,0}
assign (resid 73 and name ha  ) (resid 74 and name hn  ) 1.8 0 1.0  {S,  4.54,6.21e+05,0}
assign (resid 73 and name hb2 ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  2.66,8.96e+04,0}
assign (resid 73 and name hb1 ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  2.55,4.39e+04,0}
assign (resid 74 and name hg2 ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  2.10,3.97e+04,0}
assign (resid 74 and name hb2 ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  1.89,1.29e+05,0}
assign (resid 74 and name hb1 ) (resid 74 and name hn  ) 1.8 0 3.2  {W,  1.82,1.31e+05,0}
assign (resid 80 and name hn  ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  8.92,2.98e+04,1}
assign (resid 78 and name hn  ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  7.56,7.57e+04,1}
assign (resid 75 and name hd* ) (resid 75 and name hn  ) 1.8 0 4.2  {W,  7.30,1.16e+05,0}
assign (resid 79 and name hd2 ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  7.09,2.25e+04,0}
assign (resid 79 and name ha  ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  5.26,1.48e+05,0}
assign (resid 75 and name ha  ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  5.08,1.98e+05,0}
assign (resid 74 and name ha  ) (resid 75 and name hn  ) 1.8 0 1.0  {S,  4.66,8.35e+05,0}
assign (resid 75 and name hb2 ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  3.51,1.23e+05,0}
assign (resid 75 and name hb1 ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  3.08,2.41e+05,0}
assign (resid 74 and name hg2 ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  2.10,5.00e+04,0}
assign (resid 78 and name hb2 ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  1.91,1.10e+05,0}
assign (resid 74 and name hb1 ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  1.80,6.13e+04,0}
assign (resid 74 and name hg1 ) (resid 75 and name hn  ) 1.8 0 3.2  {W,  1.80,6.13e+04,0}
assign (resid 78 and name hn  ) (resid 77 and name hn  ) 1.8 0 1.5  {M,  7.56,3.31e+05,1}
assign (resid 75 and name ha  ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  5.05,2.36e+04,0}
assign (resid 77 and name ha  ) (resid 77 and name hn  ) 1.8 0 1.5  {M,  4.73,4.13e+05,0}
assign (resid 76 and name ha  ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  4.35,1.39e+05,0}
assign (resid 76 and name hd1 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  3.98,6.05e+04,0}
assign (resid 75 and name hb2 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  3.09,9.80e+04,0}
assign (resid 77 and name hb2 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  2.90,8.22e+04,0}
assign (resid 77 and name hb1 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  2.67,1.38e+05,0}
assign (resid 75 and name hb1 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  2.67,1.38e+05,0}
assign (resid 76 and name hb2 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  2.48,5.10e+04,0}
assign (resid 76 and name hg1 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  2.10,2.57e+04,0}
assign (resid 78 and name hb2 ) (resid 77 and name hn  ) 1.8 0 3.2  {W,  1.94,1.19e+05,0}
assign (resid 78 and name hg2 ) (resid 77 and name hn  ) 1.8 0 3.7  {W,  1.74,2.80e+04,0}
assign (resid 79 and name hn  ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  8.81,2.83e+04,-1}
assign (resid 75 and name hn  ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  8.68,1.10e+05,1}
assign (resid 77 and name hn  ) (resid 78 and name hn  ) 1.8 0 1.5  {M,  8.48,3.53e+05,1}
assign (resid 75 and name hd* ) (resid 78 and name hn  ) 1.8 0 4.2  {W,  7.31,4.25e+04,0}
assign (resid 78 and name ha  ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  5.19,1.91e+05,0}
assign (resid 77 and name ha  ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  4.74,1.88e+05,0}
assign (resid 75 and name hb2 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  3.51,9.06e+04,0}
assign (resid 75 and name hb1 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  3.09,1.85e+05,0}
assign (resid 77 and name hb2 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  2.90,2.77e+04,0}
assign (resid 74 and name hg2 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  2.07,2.66e+04,0}
assign (resid 78 and name hb2 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  1.93,1.16e+05,0}
assign (resid 78 and name hg2 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  1.74,1.22e+05,0}
assign (resid 78 and name hb1 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  1.63,5.97e+04,0}
assign (resid 78 and name hg1 ) (resid 78 and name hn  ) 1.8 0 3.2  {W,  1.44,3.53e+04,0}
assign (resid 4 and name hn  )  (resid 79 and name hn  ) 1.8 0 3.2  {W,  8.99,4.05e+04,1}
assign (resid 79 and name he1 ) (resid 79 and name hn  ) 1.8 0 5.3  { }
assign (resid 79 and name ha  ) (resid 79 and name hn  ) 1.8 0 3.2  { }
assign (resid 3 and name ha  )  (resid 79 and name hn  ) 1.8 0 1.5  {M,  5.29,1.89e+05,0}
assign (resid 78 and name ha  ) (resid 79 and name hn  ) 1.8 0 1.0  {S,  5.19,4.21e+05,0}
assign (resid 77 and name ha  ) (resid 79 and name hn  ) 1.8 0 3.2  {W,  4.72,3.53e+04,0}
assign (resid 79 and name hb* ) (resid 79 and name hn  ) 1.8 0 2.5  {M,  3.16,2.05e+05,0}
assign (resid 78 and name hb2 ) (resid 79 and name hn  ) 1.8 0 3.2  {W,  1.91,8.24e+04,0}
assign (resid 78 and name hb1 ) (resid 79 and name hn  ) 1.8 0 3.2  {W,  1.63,9.44e+04,0}
assign (resid 75 and name hn  ) (resid 80 and name hn  ) 1.8 0 3.2  {W,  8.71,2.59e+04,1}
assign (resid 81 and name hn  ) (resid 80 and name hn  ) 1.8 0 3.2  { }
assign (resid 79 and name ha  ) (resid 80 and name hn  ) 1.8 0 1.0  {S,  5.26,9.32e+05,0}
assign (resid 80 and name ha  ) (resid 80 and name hn  ) 1.8 0 3.2  { }
assign (resid 74 and name ha  ) (resid 80 and name hn  ) 1.8 0 3.2  {W,  4.66,9.02e+04,0}
assign (resid 79 and name hb* ) (resid 80 and name hn  ) 1.8 0 4.2  {W,  3.17,1.05e+05,0}
assign (resid 73 and name hb1 ) (resid 80 and name hn  ) 1.8 0 3.2  {W,  2.54,3.91e+04,0}
assign (resid 80 and name hb  ) (resid 80 and name hn  ) 1.8 0 1.5  {M,  1.79,2.69e+05,0}
assign (resid 80 and name hg12) (resid 80 and name hn  ) 1.8 0 3.2  {W,  1.63,1.05e+05,0}
assign (resid 80 and name hg11) (resid 80 and name hn  ) 1.8 0 3.2  {W,  1.19,5.76e+04,0}
assign (resid 80 and name hg2*) (resid 80 and name hn  ) 1.8 0 4.2  {W,  0.90,1.03e+05,0}
assign (resid 4 and name hn  )  (resid 81 and name hn  ) 1.8 0 3.7  {W,  8.99,2.16e+04,1}
assign (resid 5 and name ha  )  (resid 81 and name hn  ) 1.8 0 3.2  {W,  5.74,1.41e+05,0}
assign (resid 80 and name ha  ) (resid 81 and name hn  ) 1.8 0 1.5  {M,  5.26,5.47e+05,0}
assign (resid 81 and name ha  ) (resid 81 and name hn  ) 1.8 0 3.2  {W,  5.04,4.79e+04,0}
assign (resid 81 and name hb  ) (resid 81 and name hn  ) 1.8 0 3.2  {W,  4.05,1.33e+05,0}
assign (resid 4 and name hg  )  (resid 81 and name hn  ) 1.8 0 3.7  {W,  1.63,3.16e+05,0}
assign (resid 3 and name hg1 )  (resid 81 and name hn  ) 1.8 0 3.2  {W,  1.40,1.00e+05,0}
assign (resid 80 and name hg11) (resid 81 and name hn  ) 1.8 0 3.2  {W,  1.18,3.49e+04,0}
assign (resid 80 and name hg2*) (resid 81 and name hn  ) 1.8 0 4.2  {W,  0.90,1.66e+05,0}
assign (resid 4 and name hd* )  (resid 81 and name hn  ) 1.8 0 4.2  {W,  0.90,1.66e+05,0}
assign (resid 81 and name hg2*) (resid 81 and name hn  ) 1.8 0 4.2  {W,  0.67,4.05e+04,0}
assign (resid 82 and name hn  ) (resid 82 and name hn  ) 1.8 0 3.2  { }
assign (resid 81 and name hn  ) (resid 82 and name hn  ) 1.8 0 3.2  { }
assign (resid 72 and name ha  ) (resid 82 and name hn  ) 1.8 0 3.2  {W,  5.24,1.49e+05,0}
assign (resid 81 and name ha  ) (resid 82 and name hn  ) 1.8 0 1.0  {S,  5.05,5.54e+05,0}
assign (resid 82 and name ha  ) (resid 82 and name hn  ) 1.8 0 3.2  { }
assign (resid 82 and name hb2 ) (resid 82 and name hn  ) 1.8 0 1.5  {M,  1.77,1.98e+05,0}
assign (resid 82 and name hg  ) (resid 82 and name hn  ) 1.8 0 3.2  {W,  1.51,9.63e+04,0}
assign (resid 82 and name hb1 ) (resid 82 and name hn  ) 1.8 0 1.5  {M,  1.07,1.75e+05,0}
assign (resid 71 and name hd1*) (resid 82 and name hn  ) 1.8 0 4.2  {W,  0.90,3.05e+04,0}
assign (resid 81 and name hg2*) (resid 82 and name hn  ) 1.8 0 2.5  {M,  0.67,2.27e+05,0}
assign (resid 83 and name he1 ) (resid 83 and name hn  ) 1.8 0 3.2  {W, 10.41,2.29e+04,1}
assign (resid 82 and name hn  ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  9.43,2.28e+04,-1}
assign (resid 81 and name hn  ) (resid 83 and name hn  ) 1.8 0 4.2  {W,  8.48,2.69e+04,0}
assign (resid 83 and name hd1 ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  7.17,2.18e+05,0}
assign (resid 7 and name ha  )  (resid 83 and name hn  ) 1.8 0 3.2  {W,  5.47,1.02e+05,0}
assign (resid 82 and name ha  ) (resid 83 and name hn  ) 1.8 0 1.5  {M,  4.98,5.50e+05,0}
assign (resid 83 and name ha  ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  4.56,1.63e+05,0}
assign (resid 81 and name hb  ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  4.05,3.31e+04,0}
assign (resid 83 and name hb2 ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  3.46,1.31e+05,0}
assign (resid 83 and name hb1 ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  2.97,8.85e+04,0}
assign (resid 5 and name hb2 )  (resid 83 and name hn  ) 1.8 0 3.2  {W,  2.36,4.21e+04,0}
assign (resid 5 and name hb2 )  (resid 83 and name hn  ) 1.8 0 3.2  {W,  2.31,3.93e+04,0}
assign (resid 5 and name hb1 )  (resid 83 and name hn  ) 1.8 0 3.2  {W,  2.20,2.71e+04,0}
assign (resid 82 and name hb2 ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  1.77,3.98e+04,0}
assign (resid 6 and name hb  )  (resid 83 and name hn  ) 1.8 0 3.2  {W,  1.66,2.39e+05,0}
assign (resid 82 and name hg  ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  1.51,4.36e+04,0}
assign (resid 7 and name hb* )  (resid 83 and name hn  ) 1.8 0 4.7  {W,  1.28,4.56e+04,0}
assign (resid 6 and name hg12)  (resid 83 and name hn  ) 1.8 0 4.2  {W,  1.21,3.16e+04,0}
assign (resid 82 and name hb1 ) (resid 83 and name hn  ) 1.8 0 3.2  {W,  1.05,1.30e+05,0}
assign (resid 71 and name hd1*) (resid 83 and name hn  ) 1.8 0 4.2  {W,  0.91,4.14e+04,0}
assign (resid 82 and name hd1*) (resid 83 and name hn  ) 1.8 0 4.2  {W,  0.69,1.27e+05,0}
assign (resid 8 and name hg1*)  (resid 83 and name hn  ) 1.8 0 4.2  {W,  0.41,9.32e+04,0}
assign (resid 71 and name hn  ) (resid 84 and name hn  ) 1.8 0 3.2  { }
assign (resid 85 and name hn  ) (resid 84 and name hn  ) 1.8 0 4.2  { }
assign (resid 68 and name he* ) (resid 84 and name hn  ) 1.8 0 4.7  {W,  7.30,2.30e+04,0}
assign (resid 84 and name he* ) (resid 84 and name hn  ) 1.8 0 4.2  {W,  7.30,2.30e+04,0}
assign (resid 84 and name hd* ) (resid 84 and name hn  ) 1.8 0 2.5  {M,  6.88,1.48e+05,0}
assign (resid 84 and name ha  ) (resid 84 and name hn  ) 1.8 0 3.2  {W,  5.05,6.05e+04,0}
assign (resid 83 and name ha  ) (resid 84 and name hn  ) 1.8 0 1.5  {M,  4.56,2.59e+05,0}
assign (resid 84 and name hb2 ) (resid 84 and name hn  ) 1.8 0 3.2  {W,  3.34,8.98e+04,0}
assign (resid 85 and name hb* ) (resid 84 and name hn  ) 1.8 0 4.7  {W,  3.20,4.21e+04,0}
assign (resid 84 and name hb1 ) (resid 84 and name hn  ) 1.8 0 3.2  {W,  2.62,4.74e+04,0}
assign (resid 70 and name he1 ) (resid 84 and name hn  ) 1.8 0 3.2  {W,  2.03,4.87e+04,0}
assign (resid 67 and name hd1*) (resid 84 and name hn  ) 1.8 0 4.2  {W,  0.22,5.95e+04,0}
assign (resid 10 and name hn  ) (resid 85 and name hn  ) 1.8 0 3.2  {W,  9.32,5.08e+04,-1}
assign (resid 84 and name hn  ) (resid 85 and name hn  ) 1.8 0 3.2  {W,  9.13,4.41e+04,-1}
assign (resid 84 and name hd* ) (resid 85 and name hn  ) 1.8 0 4.2  {W,  6.91,2.53e+04,0}
assign (resid 85 and name ha  ) (resid 85 and name hn  ) 1.8 0 3.2  {W,  5.22,8.18e+04,0}
assign (resid 84 and name ha  ) (resid 85 and name hn  ) 1.8 0 1.0  {S,  5.05,3.38e+05,0}
assign (resid 85 and name hb* ) (resid 85 and name hn  ) 1.8 0 2.5  {M,  3.13,1.91e+05,0}
assign (resid 84 and name hb1 ) (resid 85 and name hn  ) 1.8 0 3.2  {W,  2.61,3.44e+04,0}
assign (resid 10 and name hg11) (resid 85 and name hn  ) 1.8 0 3.7  {W,  0.55,2.66e+04,0}
assign (resid 68 and name hn  ) (resid 86 and name hn  ) 1.8 0 3.2  {W,  9.65,5.65e+04,1}
assign (resid 66 and name hn  ) (resid 86 and name hn  ) 1.8 0 3.2  {W,  8.90,4.58e+04,1}
assign (resid 85 and name ha  ) (resid 86 and name hn  ) 1.8 0 1.0  {S,  5.22,2.45e+05,0}
assign (resid 67 and name ha  ) (resid 86 and name hn  ) 1.8 0 3.2  {W,  3.65,3.38e+04,0}
assign (resid 68 and name hb2 ) (resid 86 and name hn  ) 1.8 0 2.5  {M,  3.13,1.01e+05,0}
assign (resid 86 and name hb2 ) (resid 86 and name hn  ) 1.8 0 1.5  {M,  2.26,1.24e+05,0}
assign (resid 86 and name hb1 ) (resid 86 and name hn  ) 1.8 0 3.2  {W,  1.12,8.11e+04,0}
assign (resid 86 and name hd2*) (resid 86 and name hn  ) 1.8 0 4.2  {W,  0.86,3.90e+04,0}
assign (resid 87 and name hg1*) (resid 86 and name hn  ) 1.8 0 4.2  {W,  0.72,2.46e+04,0}
assign (resid 86 and name hd1*) (resid 86 and name hn  ) 1.8 0 4.2  {W,  0.64,2.16e+04,0}
assign (resid 12 and name hn  ) (resid 87 and name hn  ) 1.8 0 3.2  {W,  8.22,3.08e+04,-1}
assign (resid 87 and name ha  ) (resid 87 and name hn  ) 1.8 0 3.2  {W,  4.70,4.67e+04,0}
assign (resid 11 and name ha  ) (resid 87 and name hn  ) 1.8 0 3.2  {W,  4.30,6.17e+04,0}
assign (resid 87 and name hb  ) (resid 87 and name hn  ) 1.8 0 2.0  {M,  2.19,1.91e+05,0}
assign (resid 10 and name hb  ) (resid 87 and name hn  ) 1.8 0 3.2  {W,  1.79,7.42e+04,0}
assign (resid 86 and name hg  ) (resid 87 and name hn  ) 1.8 0 3.2  {W,  1.46,6.71e+04,0}
assign (resid 87 and name hg2*) (resid 87 and name hn  ) 1.8 0 4.2  {W,  1.18,6.30e+04,0}
assign (resid 87 and name hg1*) (resid 87 and name hn  ) 1.8 0 2.5  {M,  0.76,1.92e+05,0}
assign (resid 86 and name hd1*) (resid 87 and name hn  ) 1.8 0 2.5  {M,  0.62,1.75e+05,0}
assign (resid 10 and name hg11) (resid 87 and name hn  ) 1.8 0 3.7  {W,  0.51,4.47e+04,0}
assign (resid 89 and name hn  ) (resid 88 and name hn  ) 1.8 0 1.0  {S,  8.19,3.40e+05,1}
assign (resid 65 and name ha  ) (resid 88 and name hn  ) 1.8 0 3.2  {W,  5.95,8.49e+04,0}
assign (resid 88 and name ha  ) (resid 88 and name hn  ) 1.8 0 1.5  {M,  5.31,1.49e+05,0}
assign (resid 87 and name ha  ) (resid 88 and name hn  ) 1.8 0 1.5  {M,  4.68,3.03e+05,0}
assign (resid 89 and name ha  ) (resid 88 and name hn  ) 1.8 0 3.2  {W,  4.47,3.67e+04,0}
assign (resid 64 and name hb2 ) (resid 88 and name hn  ) 1.8 0 3.2  {W,  3.20,2.46e+04,0}
assign (resid 64 and name hb1 ) (resid 88 and name hn  ) 1.8 0 3.2  {W,  3.03,6.58e+04,0}
assign (resid 65 and name hb1 ) (resid 88 and name hn  ) 1.8 0 4.2  {W,  3.03,6.58e+04,0}
assign (resid 88 and name hb2 ) (resid 88 and name hn  ) 1.8 0 3.2  {W,  2.43,6.75e+04,0}
assign (resid 88 and name hg* ) (resid 88 and name hn  ) 1.8 0 4.2  {W,  2.31,1.17e+05,0}
assign (resid 88 and name hb1 ) (resid 88 and name hn  ) 1.8 0 3.2  {W,  1.99,1.34e+05,0}
assign (resid 89 and name hb* ) (resid 88 and name hn  ) 1.8 0 4.2  {W,  1.84,4.08e+04,0}
assign (resid 89 and name hg* ) (resid 88 and name hn  ) 1.8 0 4.2  {W,  1.63,2.78e+04,0}
assign (resid 87 and name hg2*) (resid 88 and name hn  ) 1.8 0 4.2  {W,  1.19,8.38e+04,0}
assign (resid 87 and name hg1*) (resid 88 and name hn  ) 1.8 0 4.2  {W,  0.76,4.38e+04,0}
assign (resid 88 and name hn  ) (resid 89 and name hn  ) 1.8 0 1.5  {M,  8.55,3.71e+05,1}
assign (resid 90 and name hn  ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  8.44,3.88e+04,1}
assign (resid 64 and name hn  ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  8.00,9.91e+04,1}
assign (resid 90 and name he3 ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  7.02,6.69e+04,0}
assign (resid 65 and name ha  ) (resid 89 and name hn  ) 1.8 0 4.2  {W,  5.95,2.28e+04,0}
assign (resid 88 and name ha  ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  5.31,6.73e+04,0}
assign (resid 63 and name ha  ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  4.70,9.36e+04,0}
assign (resid 89 and name ha  ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  4.49,1.58e+05,0}
assign (resid 64 and name hb2 ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  3.20,1.02e+05,0}
assign (resid 64 and name hb1 ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  3.04,6.07e+04,0}
assign (resid 88 and name hb2 ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  2.43,3.13e+04,0}
assign (resid 63 and name hg1 ) (resid 89 and name hn  ) 1.8 0 4.7  {W,  2.32,3.24e+04,0}
assign (resid 88 and name hg* ) (resid 89 and name hn  ) 1.8 0 4.2  {W,  2.32,3.24e+04,0}
assign (resid 88 and name hb1 ) (resid 89 and name hn  ) 1.8 0 3.2  {W,  1.98,8.06e+04,0}
assign (resid 89 and name hb* ) (resid 89 and name hn  ) 1.8 0 4.2  {W,  1.82,1.51e+05,0}
assign (resid 89 and name hg* ) (resid 89 and name hn  ) 1.8 0 4.2  {W,  1.61,7.48e+04,0}
assign (resid 87 and name hg2*) (resid 89 and name hn  ) 1.8 0 4.2  {W,  1.19,1.33e+05,0}
assign (resid 89 and name hn  ) (resid 90 and name hn  ) 1.8 0 3.2  {W,  8.20,4.30e+04,1}
assign (resid 90 and name he3 ) (resid 90 and name hn  ) 1.8 0 3.2  {W,  7.02,5.68e+04,0}
assign (resid 90 and name ha  ) (resid 90 and name hn  ) 1.8 0 3.2  {W,  5.17,8.33e+04,0}
assign (resid 89 and name ha  ) (resid 90 and name hn  ) 1.8 0 1.0  {S,  4.49,6.30e+05,0}
assign (resid 90 and name hb2 ) (resid 90 and name hn  ) 1.8 0 3.2  {W,  3.18,2.87e+04,0}
assign (resid 90 and name hb1 ) (resid 90 and name hn  ) 1.8 0 3.2  {W,  2.77,2.33e+04,0}
assign (resid 89 and name hb* ) (resid 90 and name hn  ) 1.8 0 4.2  {W,  1.82,1.07e+05,0}
assign (resid 89 and name hg* ) (resid 90 and name hn  ) 1.8 0 4.2  {W,  1.63,1.40e+05,0}
assign (resid 63 and name hn  ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  9.09,3.69e+04,1}
assign (resid 90 and name hd1 ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  6.95,2.39e+04,0}
assign (resid 90 and name ha  ) (resid 91 and name hn  ) 1.8 0 1.5  {M,  5.17,2.57e+05,0}
assign (resid 91 and name ha  ) (resid 91 and name hn  ) 1.8 0 1.5  {M,  4.75,1.45e+05,0}
assign (resid 62 and name ha  ) (resid 91 and name hn  ) 1.8 0 3.7  {W,  4.33,4.26e+04,0}
assign (resid 61 and name hb  ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  4.07,6.86e+04,0}
assign (resid 90 and name hb2 ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  3.20,1.02e+05,0}
assign (resid 90 and name hb1 ) (resid 91 and name hn  ) 1.8 0 2.5  {M,  2.78,1.42e+05,0}
assign (resid 63 and name hg2 ) (resid 91 and name hn  ) 1.8 0 3.7  {W,  2.42,2.91e+04,0}
assign (resid 91 and name hg* ) (resid 91 and name hn  ) 1.8 0 4.2  {W,  2.29,6.39e+04,0}
assign (resid 91 and name hb2 ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  2.10,1.19e+05,0}
assign (resid 91 and name hb1 ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  1.98,1.13e+05,0}
assign (resid 60 and name hb  ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  1.68,6.32e+04,0}
assign (resid 62 and name hb1 ) (resid 91 and name hn  ) 1.8 0 3.2  {W,  1.68,6.32e+04,0}
assign (resid 91 and name hn  ) (resid 92 and name hn  ) 1.8 0 3.2  {W,  8.40,3.50e+04,-1}
assign (resid 91 and name ha  ) (resid 92 and name hn  ) 1.8 0 2.0  {S,  4.73,8.62e+05,0}
assign (resid 92 and name ha1 ) (resid 92 and name hn  ) 1.8 0 1.5  {M,  3.93,2.08e+05,0}
assign (resid 91 and name hg* ) (resid 92 and name hn  ) 1.8 0 4.2  {W,  2.29,7.55e+04,0}
assign (resid 91 and name hb2 ) (resid 92 and name hn  ) 1.8 0 3.2  {W,  2.10,6.10e+04,0}
assign (resid 91 and name hb1 ) (resid 92 and name hn  ) 1.8 0 3.2  {W,  1.98,4.23e+04,0}
assign (resid 93 and name ha  ) (resid 93 and name hn  ) 1.8 0 3.2  {W,  5.26,9.20e+04,0}
assign (resid 92 and name ha2 ) (resid 93 and name hn  ) 1.8 0 3.2  {W,  4.70,1.64e+05,0}
assign (resid 92 and name ha1 ) (resid 93 and name hn  ) 1.8 0 3.2  {W,  3.93,2.62e+05,0}
assign (resid 90 and name hb2 ) (resid 93 and name hn  ) 1.8 0 3.7  {W,  3.20,5.25e+04,0}
assign (resid 93 and name hg* ) (resid 93 and name hn  ) 1.8 0 4.2  {W,  2.38,8.24e+04,0}
assign (resid 93 and name hb2 ) (resid 93 and name hn  ) 1.8 0 3.2  {W,  2.10,1.16e+05,0}
assign (resid 93 and name hb1 ) (resid 93 and name hn  ) 1.8 0 3.2  {W,  1.98,2.63e+05,0}
assign (resid 60 and name hg2*) (resid 93 and name hn  ) 1.8 0 4.2  {W,  0.27,5.83e+04,0}
assign (resid 96 and name hn  ) (resid 95 and name hn  ) 1.8 0 3.2  {W,  8.29,8.48e+04,1}
assign (resid 95 and name hd1 ) (resid 95 and name hn  ) 1.8 0 3.2  {W,  7.52,8.24e+04,0}
assign (resid 19 and name he* ) (resid 95 and name hn  ) 1.8 0 4.2  {W,  6.64,2.17e+04,0}
assign (resid 95 and name ha  ) (resid 95 and name hn  ) 1.8 0 3.2  {W,  4.84,1.11e+05,0}
assign (resid 94 and name ha  ) (resid 95 and name hn  ) 1.8 0 1.5  {M,  4.39,3.75e+05,0}
assign (resid 96 and name ha2 ) (resid 95 and name hn  ) 1.8 0 3.7  { }
assign (resid 96 and name ha1 ) (resid 95 and name hn  ) 1.8 0 3.2  { }
assign (resid 95 and name hb* ) (resid 95 and name hn  ) 1.8 0 4.2  {W,  3.30,8.83e+04,0}
assign (resid 58 and name hb  ) (resid 95 and name hn  ) 1.8 0 3.2  {W,  2.19,1.18e+05,0}
assign (resid 58 and name hg1*) (resid 95 and name hn  ) 1.8 0 4.2  {W,  0.69,1.38e+05,0}
assign (resid 58 and name hg2*) (resid 95 and name hn  ) 1.8 0 4.2  {W,  0.27,9.49e+04,0}
assign (resid 60 and name hg11) (resid 95 and name hn  ) 1.8 0 4.2  {W,  0.27,9.49e+04,0}
assign (resid 60 and name hg12) (resid 95 and name hn  ) 1.8 0 4.2  {W,  0.27,9.49e+04,0}
assign (resid 95 and name hn  ) (resid 96 and name hn  ) 1.8 0 3.2  {W,  8.50,3.83e+04,1}
assign (resid 19 and name he* ) (resid 96 and name hn  ) 1.8 0 4.2  {W,  6.65,2.90e+04,0}
assign (resid 19 and name hz  ) (resid 96 and name hn  ) 1.8 0 4.7  {W,  6.65,2.90e+04,0}
assign (resid 95 and name ha  ) (resid 96 and name hn  ) 1.8 0 1.5  {M,  4.84,8.05e+04,0}
assign (resid 96 and name ha2 ) (resid 96 and name hn  ) 1.8 0 1.5  {M,  4.21,6.37e+04,0}
assign (resid 96 and name ha1 ) (resid 96 and name hn  ) 1.8 0 1.5  {M,  3.97,7.25e+04,0}
assign (resid 95 and name hb* ) (resid 96 and name hn  ) 1.8 0 4.2  {W,  3.30,4.55e+04,0}
assign (resid 96 and name ha2 ) (resid 97 and name hn  ) 1.8 0 2.0  {M,  4.21,1.06e+05,0}
assign (resid 97 and name ha  ) (resid 97 and name hn  ) 1.8 0 1.5  { }
assign (resid 96 and name ha1 ) (resid 97 and name hn  ) 1.8 0 1.5  {M,  3.97,7.33e+04,0}
assign (resid 97 and name hb1 ) (resid 97 and name hn  ) 1.8 0 3.2  {W,  1.67,3.60e+04,0}
assign (resid 97 and name hg* ) (resid 97 and name hn  ) 1.8 0 2.5  {M,  1.28,7.25e+04,0}
assign (resid 97 and name hn  ) (resid 98 and name hn  ) 1.8 0 3.2  {W,  7.72,2.96e+04,-1}
assign (resid 98 and name ha  ) (resid 98 and name hn  ) 1.8 0 1.5  {M,  4.24,7.55e+04,0}
assign (resid 98 and name hb* ) (resid 98 and name hn  ) 1.8 0 4.2  {W,  2.15,2.71e+04,0}
assign (resid 100 and name hb*) (resid 98 and name hn  ) 1.8 0 2.5  {M,  1.98,5.92e+04,0}
assign (resid 97 and name hb1 ) (resid 98 and name hn  ) 1.8 0 3.2  {W,  1.61,2.71e+04,0}
assign (resid 99 and name ha2 ) (resid 99 and name hn  ) 1.8 0 1.0  {S,  4.23,8.59e+04,0}
assign (resid 99 and name ha1 ) (resid 99 and name hn  ) 1.8 0 1.0  {S,  3.74,4.02e+04,0}
assign (resid 19 and name he* ) (resid 102 and name hn  ) 1.8 0 4.2  {W,6.63,3.55e+04,0}
assign (resid 19 and name hz  ) (resid 102 and name hn  ) 1.8 0 4.2  {W,  6.63,3.55e+04,0}
assign (resid 102 and name ha2) (resid 102 and name hn  ) 1.8 0 1.5  {M,  4.45,3.31e+05,0}
assign (resid 101 and name ha ) (resid 102 and name hn  ) 1.8 0 2.0  {M,  4.45,3.31e+05,0}
assign (resid 102 and name ha1) (resid 102 and name hn  ) 1.8 0 3.2  {W,  3.20,9.96e+04,0}
assign (resid 101 and name hb2) (resid 102 and name hn  ) 1.8 0 3.2  {W,  2.24,3.61e+04,0}
assign (resid 101 and name hg*) (resid 102 and name hn  ) 1.8 0 4.2  {W,  2.00,2.95e+04,0}
assign (resid 101 and name hb1) (resid 102 and name hn  ) 1.8 0 3.2  {W,  1.89,4.18e+04,0}
assign (resid 21 and name hg* ) (resid 102 and name hn  ) 1.8 0 4.2  {W,  0.97,2.21e+04,0}
assign (resid 20 and name hn  ) (resid 103 and name hn  ) 1.8 0 3.2  {W,8.19,6.95e+04,1}
assign (resid 19 and name he* ) (resid 103 and name hn  ) 1.8 0 4.2  {W,  6.62,3.98e+04,0}
assign (resid 102 and name ha2) (resid 103 and name hn  ) 1.8 0 1.5  {M,  4.47,3.05e+05,0}
assign (resid 21 and name ha  ) (resid 103 and name hn  ) 1.8 0 1.5  { }
assign (resid 103 and name ha ) (resid 103 and name hn  ) 1.8 0 1.5  { }
assign (resid 36 and name hd1 ) (resid 103 and name hn  ) 1.8 0 4.2  {W,  4.01,2.19e+04,0}
assign (resid 21 and name hb  ) (resid 103 and name hn  ) 1.8 0 3.2  {W,  3.92,3.38e+04,0}
assign (resid 102 and name ha1) (resid 103 and name hn  ) 1.8 0 3.2  {W,  3.20,1.54e+05,0}
assign (resid 105 and name hb2) (resid 103 and name hn  ) 1.8 0 3.2  {W,  2.07,2.20e+04,0}
assign (resid 103 and name hg2) (resid 103 and name hn  ) 1.8 0 3.2  {W,  1.96,1.13e+05,0}
assign (resid 103 and name hg1) (resid 103 and name hn  ) 1.8 0 3.2  {W,  1.84,9.29e+04,0}
assign (resid 21 and name hg* ) (resid 103 and name hn  ) 1.8 0 4.2  {W,  0.93,2.87e+04,0}
assign (resid 20 and name hg2*) (resid 103 and name hn  ) 1.8 0 4.2  {W,  0.84,2.35e+04,0}
assign (resid 20 and name hd* ) (resid 103 and name hn  ) 1.8 0 5.7  {W,  0.67,4.29e+04,0}
assign (resid 103 and name hn ) (resid 104 and name hn  ) 1.8 0 3.2  { }
assign (resid 104 and name hd1) (resid 104 and name hn  ) 1.8 0 3.2  {W,  7.54,1.37e+05,0}
assign (resid 19 and name he* ) (resid 104 and name hn  ) 1.8 0 4.2  {W,  6.65,3.61e+04,0}
assign (resid 19 and name hd* ) (resid 104 and name hn  ) 1.8 0 4.2  {W,  5.56,2.09e+04,0}
assign (resid 104 and name ha ) (resid 104 and name hn  ) 1.8 0 3.2  {W,  4.96,1.13e+05,0}
assign (resid 103 and name ha ) (resid 104 and name hn  ) 1.8 0 1.0  {S,  4.44,6.99e+05,0}
assign (resid 104 and name hb*) (resid 104 and name hn  ) 1.8 0 2.5  {M,  3.09,3.70e+05,0}
assign (resid 103 and name hb*) (resid 104 and name hn  ) 1.8 0 2.5  {M,  1.87,2.38e+05,0}
assign (resid 104 and name hn ) (resid 105 and name hn  ) 1.8 0 4.2  { }
assign (resid 18 and name hn  ) (resid 105 and name hn  ) 1.8 0 3.2  {W,  9.22,1.17e+05,1}
assign (resid 90 and name hz3 ) (resid 105 and name hn  ) 1.8 0 4.2  {W,  7.26,5.04e+04,0}
assign (resid 104 and name ha ) (resid 105 and name hn  ) 1.8 0 1.0  {S,  4.96,5.17e+05,0}
assign (resid 105 and name ha ) (resid 105 and name hn  ) 1.8 0 3.2  { }
assign (resid 19 and name ha  ) (resid 105 and name hn  ) 1.8 0 3.2  {W,  4.16,5.41e+04,0}
assign (resid 104 and name hb*) (resid 105 and name hn  ) 1.8 0 4.2  {W,  3.08,8.95e+04,0}
assign (resid 105 and name hg*) (resid 105 and name hn  ) 1.8 0 4.2  {W,  2.49,7.94e+04,0}
assign (resid 17 and name hb2 ) (resid 105 and name hn  ) 1.8 0 3.2  {W,  2.26,3.91e+04,0}
assign (resid 105 and name hb2) (resid 105 and name hn  ) 1.8 0 3.2  {W,  2.08,1.06e+05,0}
assign (resid 105 and name hb1) (resid 105 and name hn  ) 1.8 0 3.2  {W,  1.84,1.36e+05,0}
assign (resid 18 and name hg11) (resid 105 and name hn  ) 1.8 0 3.2  {W,  1.37,3.47e+04,0}
assign (resid 20 and name hg2*) (resid 105 and name hn  ) 1.8 0 4.2  {W,  0.86,2.39e+04,0}
assign (resid 18 and name hd* ) (resid 105 and name hn  ) 1.8 0 4.2  {W,  0.86,2.39e+04,0}
assign (resid 105 and name hn ) (resid 106 and name hn  ) 1.8 0 3.2  {W,  9.60,2.10e+04,-1}
assign (resid 17 and name ha  ) (resid 106 and name hn  ) 1.8 0 3.2  {W,  5.09,2.31e+04,0}
assign (resid 105 and name ha ) (resid 106 and name hn  ) 1.8 0 1.0  {S,  4.94,4.26e+05,0}
assign (resid 106 and name ha ) (resid 106 and name hn  ) 1.8 0 3.2  {W,  4.51,7.88e+04,0}
assign (resid 106 and name hb2) (resid 106 and name hn  ) 1.8 0 1.5  {M,  4.21,1.48e+05,0}
assign (resid 106 and name hb1) (resid 106 and name hn  ) 1.8 0 1.5  {M,  3.97,1.97e+05,0}
assign (resid 105 and name hg*) (resid 106 and name hn  ) 1.8 0 4.2  {W,  2.50,3.68e+04,0}
assign (resid 105 and name hb2) (resid 106 and name hn  ) 1.8 0 3.2  {W,  2.08,7.05e+04,0}
assign (resid 17 and name hb1 ) (resid 106 and name hn  ) 1.8 0 3.2  {W,  1.96,4.22e+04,0}
assign (resid 105 and name he*) (resid 106 and name hn  ) 1.8 0 4.2  {W,  1.96,4.22e+04,0}
assign (resid 105 and name hb1) (resid 106 and name hn  ) 1.8 0 3.2  {W,  1.84,4.11e+04,0}
assign (resid 18 and name hn  ) (resid 107 and name hn  ) 1.8 0 3.2  {W,9.22,2.09e+04,-1}
assign (resid 106 and name hn ) (resid 107 and name hn  ) 1.8 0 3.2  {W,  8.78,3.81e+04,-1}
assign (resid 108 and name hn ) (resid 107 and name hn  ) 1.8 0 3.2  {W,  7.99,1.86e+05,1}
assign (resid 17 and name ha  ) (resid 107 and name hn  ) 1.8 0 3.2  {W,  5.08,1.42e+05,0}
assign (resid 106 and name ha ) (resid 107 and name hn  ) 1.8 0 1.0  {S,  4.49,6.04e+05,0}
assign (resid 106 and name hb2) (resid 107 and name hn  ) 1.8 0 3.2  {W,  4.21,9.49e+04,0}
assign (resid 107 and name ha ) (resid 107 and name hn  ) 1.8 0 3.2  {W,  4.07,2.40e+05,0}
assign (resid 106 and name hb1) (resid 107 and name hn  ) 1.8 0 3.2  {W,  3.98,7.08e+04,0}
assign (resid 17 and name hg2 ) (resid 107 and name hn  ) 1.8 0 3.7  {W,  2.17,2.79e+04,0}
assign (resid 17 and name hb1 ) (resid 107 and name hn  ) 1.8 0 3.7  {W,  1.98,5.13e+04,0}
assign (resid 107 and name hb2) (resid 107 and name hn  ) 1.8 0 2.0  {M,  1.77,3.68e+05,0}
assign (resid 108 and name hg2*) (resid 107 and name hn  ) 1.8 0 4.7  {W,  1.04,3.88e+04,0}
assign (resid 107 and name hd* ) (resid 107 and name hn  ) 1.8 0 4.2  {W,  0.90,1.34e+05,0}
assign (resid 107 and name hn  ) (resid 108 and name hn  ) 1.8 0 3.2  {W,  8.62,1.34e+05,1}
assign (resid 109 and name hn  ) (resid 108 and name hn  ) 1.8 0 3.2  {W,  7.63,5.93e+04,1}
assign (resid 109 and name ha2 ) (resid 108 and name hn  ) 1.8 0 4.2  {W,  4.21,6.75e+04,0}
assign (resid 110 and name ha  ) (resid 108 and name hn  ) 1.8 0 3.2  { }
assign (resid 107 and name ha  ) (resid 108 and name hn  ) 1.8 0 3.2  {W,  4.07,4.89e+04,0}
assign (resid 108 and name ha  ) (resid 108 and name hn  ) 1.8 0 3.2  {W,  3.86,2.19e+05,0}
assign (resid 108 and name hb  ) (resid 108 and name hn  ) 1.8 0 2.0  {M,  2.14,2.95e+05,0}
assign (resid 110 and name hg  ) (resid 108 and name hn  ) 1.8 0 3.7  {W,  2.00,2.09e+04,0}
assign (resid 107 and name hb2 ) (resid 108 and name hn  ) 1.8 0 3.2  {W,  1.79,6.67e+04,0}
assign (resid 107 and name hb1 ) (resid 108 and name hn  ) 1.8 0 3.2  {W,  1.68,6.47e+04,0}
assign (resid 108 and name hg1*) (resid 108 and name hn  ) 1.8 0 3.5  {M,  1.04,3.37e+05,0}
assign (resid 108 and name hg2*) (resid 108 and name hn  ) 1.8 0 3.5  {M,  1.04,3.37e+05,0}
assign (resid 108 and name hn  ) (resid 109 and name hn  ) 1.8 0 3.2  {W,  8.00,4.22e+04,1}
assign (resid 110 and name hn  ) (resid 109 and name hn  ) 1.8 0 3.2  {W,  7.18,5.78e+04,1}
assign (resid 109 and name ha2 ) (resid 109 and name hn  ) 1.8 0 3.2  {W,  4.19,7.58e+04,0}
assign (resid 108 and name ha  ) (resid 109 and name hn  ) 1.8 0 1.5  {M,  3.81,8.69e+04,0}
assign (resid 108 and name hb  ) (resid 109 and name hn  ) 1.8 0 3.2  {W,  2.17,2.09e+04,0}
assign (resid 108 and name hg1*) (resid 109 and name hn  ) 1.8 0 4.2  {W,  1.04,3.26e+04,0}
assign (resid 111 and name hn  ) (resid 110 and name hn  ) 1.8 0 3.2  {W,  9.46,4.40e+04,1}
assign (resid 109 and name hn  ) (resid 110 and name hn  ) 1.8 0 3.2  {W,  7.63,1.21e+05,1}
assign (resid 110 and name ha  ) (resid 110 and name hn  ) 1.8 0 3.2  {W,  4.26,2.32e+05,0}
assign (resid 108 and name ha  ) (resid 110 and name hn  ) 1.8 0 3.2  {W,  3.83,9.55e+04,0}
assign (resid 109 and name ha1 ) (resid 110 and name hn  ) 1.8 0 3.2  {W,  3.83,9.55e+04,0}
assign (resid 111 and name hb2 ) (resid 110 and name hn  ) 1.8 0 4.2  {W,  3.06,3.49e+04,0}
assign (resid 110 and name hg  ) (resid 110 and name hn  ) 1.8 0 2.0  {M,  2.03,3.01e+05,0}
assign (resid 110 and name hb2 ) (resid 110 and name hn  ) 1.8 0 1.5  {M,  1.84,3.47e+05,0}
assign (resid 110 and name hb1 ) (resid 110 and name hn  ) 1.8 0 3.2  {W,  1.35,1.91e+05,0}
assign (resid 110 and name hd1*) (resid 110 and name hn  ) 1.8 0 4.2  {W,  0.90,1.42e+05,0}
assign (resid 110 and name hn  ) (resid 111 and name hn  ) 1.8 0 3.2  {W,  7.19,2.52e+04,1}
assign (resid 115 and name he* ) (resid 111 and name hn  ) 1.8 0 5.2  {W,  6.49,4.24e+04,0}
assign (resid 111 and name ha  ) (resid 111 and name hn  ) 1.8 0 3.2  {W,  4.94,1.13e+05,0}
assign (resid 110 and name ha  ) (resid 111 and name hn  ) 1.8 0 1.0  {S,  4.26,7.76e+05,0}
assign (resid 111 and name hb2 ) (resid 111 and name hn  ) 1.8 0 3.2  {W,  3.10,1.84e+05,0}
assign (resid 111 and name hb1 ) (resid 111 and name hn  ) 1.8 0 3.2  {W,  2.73,1.71e+05,0}
assign (resid 110 and name hb2 ) (resid 111 and name hn  ) 1.8 0 3.2  {W,  1.82,5.51e+04,0}
assign (resid 110 and name hb1 ) (resid 111 and name hn  ) 1.8 0 3.2  {W,  1.35,8.25e+04,0}
assign (resid 110 and name hd2*) (resid 111 and name hn  ) 1.8 0 4.2  {W,  0.88,9.36e+04,0}
assign (resid 113 and name hn  ) (resid 112 and name hn  ) 1.8 0 3.2  {W,  8.41,3.85e+04,1}
assign (resid 127 and name ha  ) (resid 112 and name hn  ) 1.8 0 3.2  {W,  4.07,6.68e+04,0}
assign (resid 111 and name hb2 ) (resid 112 and name hn  ) 1.8 0 2.5  {M,  3.11,2.12e+05,0}
assign (resid 111 and name hb1 ) (resid 112 and name hn  ) 1.8 0 3.2  {W,  2.73,2.56e+04,0}
assign (resid 127 and name hg2 ) (resid 112 and name hn  ) 1.8 0 2.0  {M,  1.79,1.56e+05,0}
assign (resid 112 and name hb* ) (resid 112 and name hn  ) 1.8 0 2.5  {M,  1.49,1.53e+05,0}
assign (resid 123 and name hg1*) (resid 112 and name hn  ) 1.8 0 4.2  {W,  1.09,9.46e+04,0}
assign (resid 123 and name hg2*) (resid 112 and name hn  ) 1.8 0 4.2  {W,  0.65,5.95e+04,0}
assign (resid 33 and name hd1*)  (resid 112 and name hn  ) 1.8 0 5.5  {W,  0.52,6.86e+04,0}
assign (resid 112 and name hn  ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  9.32,9.36e+04,1}
assign (resid 114 and name hn  ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  7.93,3.22e+05,1}
assign (resid 115 and name hn  ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  7.75,3.27e+04,-1}
assign (resid 111 and name ha  ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  4.93,8.99e+04,0}
assign (resid 113 and name ha  ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  4.58,3.76e+05,0}
assign (resid 112 and name ha  ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  4.00,7.47e+04,0}
assign (resid 111 and name hb2 ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  3.10,7.11e+04,0}
assign (resid 115 and name hb* ) (resid 113 and name hn  ) 1.8 0 4.2  {W,  2.87,4.02e+04,0}
assign (resid 111 and name hb1 ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  2.71,3.38e+05,0}
assign (resid 113 and name hb2 ) (resid 113 and name hn  ) 1.8 0 3.2  {W,  2.71,3.38e+05,0}
assign (resid 113 and name hb1 ) (resid 113 and name hn  ) 1.8 0 1.5  {M,  2.57,4.89e+05,0}
assign (resid 112 and name hb* ) (resid 113 and name hn  ) 1.8 0 4.2  {W,  1.49,2.58e+05,0}
assign (resid 113 and name hn  ) (resid 114 and name hn  ) 1.8 0 3.2  {W,  8.41,1.83e+05,1}
assign (resid 111 and name hn  ) (resid 114 and name hn  ) 1.8 0 4.2  { }
assign (resid 115 and name hn  ) (resid 114 and name hn  ) 1.8 0 1.5  {M,  7.75,2.55e+05,1}
assign (resid 115 and name hd* ) (resid 114 and name hn  ) 1.8 0 4.2  {W,  7.05,8.16e+04,0}
assign (resid 114 and name ha  ) (resid 114 and name hn  ) 1.8 0 3.2  {W,  4.63,1.78e+05,0}
assign (resid 113 and name ha  ) (resid 114 and name hn  ) 1.8 0 3.2  {W,  4.63,1.78e+05,0}
assign (resid 112 and name ha  ) (resid 114 and name hn  ) 1.8 0 3.2  {W,  4.00,2.78e+04,0}
assign (resid 111 and name hb2 ) (resid 114 and name hn  ) 1.8 0 3.2  {W,  3.11,3.13e+04,0}
assign (resid 114 and name hb2 ) (resid 114 and name hn  ) 1.8 0 1.5  {M,  2.87,2.53e+05,0}
assign (resid 115 and name hb* ) (resid 114 and name hn  ) 1.8 0 4.2  { }
assign (resid 111 and name hb1 ) (resid 114 and name hn  ) 1.8 0 3.2  { }
assign (resid 113 and name hb2 ) (resid 114 and name hn  ) 1.8 0 3.2  {W,  2.71,6.71e+04,0}
assign (resid 113 and name hb1 ) (resid 114 and name hn  ) 1.8 0 3.2  {W,  2.59,1.85e+05,0}
assign (resid 113 and name hn  ) (resid 115 and name hn  ) 1.8 0 3.2  { }
assign (resid 114 and name hn  ) (resid 115 and name hn  ) 1.8 0 1.5  {M,  7.93,1.54e+05,1}
assign (resid 115 and name hd* ) (resid 115 and name hn  ) 1.8 0 2.5  {M,  7.05,1.58e+05,0}
assign (resid 115 and name ha  ) (resid 115 and name hn  ) 1.8 0 3.2  {W,  5.20,6.40e+04,0}
assign (resid 114 and name ha  ) (resid 115 and name hn  ) 1.8 0 3.2  {W,  4.61,7.05e+04,0}
assign (resid 113 and name ha  ) (resid 115 and name hn  ) 1.8 0 3.2  { }
assign (resid 116 and name hd1 ) (resid 115 and name hn  ) 1.8 0 3.2  {W,  3.74,2.43e+04,0}
assign (resid 114 and name hb2 ) (resid 115 and name hn  ) 1.8 0 1.5  {M,  2.87,2.02e+05,0}
assign (resid 115 and name hb* ) (resid 115 and name hn  ) 1.8 0 2.5  {M,  2.87,2.02e+05,0}
assign (resid 114 and name hb1 ) (resid 115 and name hn  ) 1.8 0 3.2  {W,  2.57,2.97e+04,0}
assign (resid 33 and name hb1 )  (resid 115 and name hn  ) 1.8 0 3.2  {W, -0.06,2.41e+04,0}
assign (resid 120 and name hn  ) (resid 119 and name hn  ) 1.8 0 1.5  {M,  7.89,2.57e+05,1}
assign (resid 119 and name hd22) (resid 119 and name hn  ) 1.8 0 3.2  {W,  6.30,6.01e+04,0}
assign (resid 117 and name ha  ) (resid 119 and name hn  ) 1.8 0 3.2  {W,  4.52,1.94e+05,0}
assign (resid 119 and name ha  ) (resid 119 and name hn  ) 1.8 0 3.2  { }
assign (resid 118 and name ha  ) (resid 119 and name hn  ) 1.8 0 3.2  {W,  4.00,6.59e+04,0}
assign (resid 120 and name ha  ) (resid 119 and name hn  ) 1.8 0 3.2  {W,  3.88,4.62e+04,0}
assign (resid 121 and name hd2 ) (resid 119 and name hn  ) 1.8 0 3.2  {W,  3.88,4.62e+04,0}
assign (resid 119 and name hb2 ) (resid 119 and name hn  ) 1.8 0 2.5  {M,  2.87,2.43e+05,0}
assign (resid 119 and name hb1 ) (resid 119 and name hn  ) 1.8 0 3.2  {W,  2.69,1.42e+05,0}
assign (resid 120 and name hb2 ) (resid 119 and name hn  ) 1.8 0 3.2  {W,  2.33,4.43e+04,0}
assign (resid 116 and name hb1 ) (resid 119 and name hn  ) 1.8 0 3.2  {W,  1.76,2.13e+04,0}
assign (resid 118 and name hb* ) (resid 119 and name hn  ) 1.8 0 4.2  {W,  1.21,1.11e+05,0}
assign (resid 119 and name hn  ) (resid 120 and name hn  ) 1.8 0 1.5  {M,  7.98,2.08e+05,1}
assign (resid 117 and name ha  ) (resid 120 and name hn  ) 1.8 0 3.2  {W,  4.52,7.52e+04,0}
assign (resid 119 and name ha  ) (resid 120 and name hn  ) 1.8 0 3.2  { }
assign (resid 120 and name ha  ) (resid 120 and name hn  ) 1.8 0 3.2  { }
assign (resid 118 and name ha  ) (resid 120 and name hn  ) 1.8 0 3.2  {W,  4.00,2.43e+04,0}
assign (resid 121 and name hd2 ) (resid 120 and name hn  ) 1.8 0 1.5  {M,  3.86,2.69e+05,0}
assign (resid 121 and name hd1 ) (resid 120 and name hn  ) 1.8 0 3.2  {W,  3.53,8.82e+04,0}
assign (resid 119 and name hb2 ) (resid 120 and name hn  ) 1.8 0 3.2  {W,  2.87,2.47e+04,0}
assign (resid 119 and name hb1 ) (resid 120 and name hn  ) 1.8 0 3.2  {W,  2.87,2.47e+04,0}
assign (resid 120 and name hb2 ) (resid 120 and name hn  ) 1.8 0 1.0  {S,  2.31,3.03e+05,0}
assign (resid 124 and name hn  ) (resid 122 and name hn  ) 1.8 0 3.2  {W,  7.89,4.75e+04,1}
assign (resid 123 and name hn  ) (resid 122 and name hn  ) 1.8 0 1.5  {M,  7.60,2.83e+05,1}
assign (resid 125 and name hn  ) (resid 122 and name hn  ) 1.8 0 3.2  {W,  7.30,3.16e+04,-1}
assign (resid 119 and name ha  ) (resid 122 and name hn  ) 1.8 0 3.2  {W,  4.53,2.93e+04,0}
assign (resid 121 and name ha  ) (resid 122 and name hn  ) 1.8 0 3.2  {W,  4.31,4.66e+04,0}
assign (resid 121 and name hd2 ) (resid 122 and name hn  ) 1.8 0 3.2  {W,  3.88,5.42e+04,0}
assign (resid 120 and name ha  ) (resid 122 and name hn  ) 1.8 0 3.2  { }
assign (resid 121 and name hd1 ) (resid 122 and name hn  ) 1.8 0 3.2  { }
assign (resid 122 and name ha  ) (resid 122 and name hn  ) 1.8 0 1.5  {M,  3.46,1.98e+05,0}
assign (resid 121 and name hb2 ) (resid 122 and name hn  ) 1.8 0 3.2  {W,  2.39,2.75e+04,0}
assign (resid 121 and name hg* ) (resid 122 and name hn  ) 1.8 0 4.2  {W,  2.10,5.69e+04,0}
assign (resid 123 and name hb  ) (resid 122 and name hn  ) 1.8 0 3.2  {W,  1.91,5.77e+04,0}
assign (resid 122 and name hb  ) (resid 122 and name hn  ) 1.8 0 1.0  {S,  1.61,4.33e+05,0}
assign (resid 123 and name hg1*) (resid 122 and name hn  ) 1.8 0 4.2  {W,  1.07,6.54e+04,0}
assign (resid 122 and name hg2*) (resid 122 and name hn  ) 1.8 0 4.2  {W,  0.44,7.86e+04,0}
assign (resid 122 and name hg1*) (resid 122 and name hn  ) 1.8 0 2.5  {M, -0.15,2.10e+05,0}
assign (resid 84 and name hz  )  (resid 123 and name hn  ) 1.8 0 3.2  { }
assign (resid 124 and name hn  ) (resid 123 and name hn  ) 1.8 0 1.5  {M,  7.91,1.86e+05,1}
assign (resid 122 and name hn  ) (resid 123 and name hn  ) 1.8 0 1.5  {M,  6.95,2.76e+05,1}
assign (resid 121 and name ha  ) (resid 123 and name hn  ) 1.8 0 3.2  {W,  4.31,2.11e+04,0}
assign (resid 120 and name ha  ) (resid 123 and name hn  ) 1.8 0 3.2  {W,  3.86,5.61e+04,0}
assign (resid 122 and name ha  ) (resid 123 and name hn  ) 1.8 0 3.2  { }
assign (resid 123 and name ha  ) (resid 123 and name hn  ) 1.8 0 1.5  {M,  3.48,1.66e+05,0}
assign (resid 123 and name hb  ) (resid 123 and name hn  ) 1.8 0 1.5  {M,  1.89,2.87e+05,0}
assign (resid 122 and name hb  ) (resid 123 and name hn  ) 1.8 0 3.2  {W,  1.61,1.46e+05,0}
assign (resid 124 and name hb* ) (resid 123 and name hn  ) 1.8 0 4.2  {W,  1.41,2.39e+04,0}
assign (resid 123 and name hg1*) (resid 123 and name hn  ) 1.8 0 2.5  {M,  1.05,2.65e+05,0}
assign (resid 123 and name hg2*) (resid 123 and name hn  ) 1.8 0 4.2  {W,  0.69,9.09e+04,0}
assign (resid 122 and name hg2*) (resid 123 and name hn  ) 1.8 0 4.2  {W,  0.43,5.20e+04,0}
assign (resid 123 and name hd* ) (resid 123 and name hn  ) 1.8 0 3.2  {W, -0.06,9.34e+04,0}
assign (resid 122 and name hg1*) (resid 123 and name hn  ) 1.8 0 4.2  {W, -0.15,4.39e+04,0}
assign (resid 123 and name hn  ) (resid 124 and name hn  ) 1.8 0 3.2  {W,  7.60,1.21e+05,1}
assign (resid 125 and name hn  ) (resid 124 and name hn  ) 1.8 0 3.2  {W,  7.28,1.28e+05,1}
assign (resid 122 and name hn  ) (resid 124 and name hn  ) 1.8 0 3.2  {W,  6.95,3.48e+04,1}
assign (resid 120 and name ha  ) (resid 124 and name hn  ) 1.8 0 3.2  { }
assign (resid 121 and name hd2 ) (resid 124 and name hn  ) 1.8 0 3.7  { }
assign (resid 121 and name ha  ) (resid 124 and name hn  ) 1.8 0 3.2  {W,  4.32,3.85e+04,0}
assign (resid 124 and name ha  ) (resid 124 and name hn  ) 1.8 0 1.5  {M,  3.97,2.06e+05,0}
assign (resid 123 and name ha  ) (resid 124 and name hn  ) 1.8 0 3.2  {W,  3.48,4.88e+04,0}
assign (resid 123 and name hb  ) (resid 124 and name hn  ) 1.8 0 3.2  {W,  1.89,1.82e+05,0}
assign (resid 122 and name hb  ) (resid 124 and name hn  ) 1.8 0 3.2  {W,  1.63,2.09e+04,0}
assign (resid 124 and name hb* ) (resid 124 and name hn  ) 1.8 0 2.0  {S,  1.42,4.45e+05,0}
assign (resid 123 and name hg1*) (resid 124 and name hn  ) 1.8 0 4.2  {W,  1.05,2.80e+04,0}
assign (resid 123 and name hg2*) (resid 124 and name hn  ) 1.8 0 4.2  {W,  0.69,6.33e+04,0}
assign (resid 126 and name hn  ) (resid 125 and name hn  ) 1.8 0 3.2  {W,  8.57,2.89e+05,1}
assign (resid 124 and name hn  ) (resid 125 and name hn  ) 1.8 0 3.2  {W,  7.91,1.99e+05,1}
assign (resid 123 and name hn  ) (resid 125 and name hn  ) 1.8 0 4.2  { }
assign (resid 127 and name hn  ) (resid 125 and name hn  ) 1.8 0 3.2  {W,  7.77,2.19e+04,-1}
assign (resid 121 and name ha  ) (resid 125 and name hn  ) 1.8 0 3.7  {W,  4.31,2.41e+04,0}
assign (resid 125 and name ha  ) (resid 125 and name hn  ) 1.8 0 1.5  {M,  3.95,3.76e+05,0}
assign (resid 122 and name ha  ) (resid 125 and name hn  ) 1.8 0 3.2  {W,  3.46,1.33e+05,0}
assign (resid 123 and name ha  ) (resid 125 and name hn  ) 1.8 0 3.2  { }
assign (resid 127 and name hb2 ) (resid 125 and name hn  ) 1.8 0 3.2  {W,  2.03,4.72e+04,0}
assign (resid 125 and name hb* ) (resid 125 and name hn  ) 1.8 0 2.0  {S,  1.87,7.50e+05,0}
assign (resid 124 and name hb* ) (resid 125 and name hn  ) 1.8 0 2.5  {M,  1.42,3.90e+05,0}
assign (resid 125 and name hg2 ) (resid 125 and name hn  ) 1.8 0 3.2  {W,  1.42,3.90e+05,0}
assign (resid 125 and name hg1 ) (resid 125 and name hn  ) 1.8 0 3.2  {W,  1.24,2.61e+04,0}
assign (resid 122 and name hg2*) (resid 125 and name hn  ) 1.8 0 4.2  {W,  0.44,2.14e+04,0}
assign (resid 127 and name hn  ) (resid 126 and name hn  ) 1.8 0 3.2  {W,  7.77,2.51e+05,1}
assign (resid 125 and name hn  ) (resid 126 and name hn  ) 1.8 0 1.5  {M,  7.28,3.77e+05,1}
assign (resid 124 and name hn  ) (resid 126 and name hn  ) 1.8 0 3.2  { }
assign (resid 68 and name hz  )  (resid 126 and name hn  ) 1.8 0 3.2  {W,  6.88,6.83e+04,0}
assign (resid 126 and name ha  ) (resid 126 and name hn  ) 1.8 0 1.5  {M,  4.09,2.60e+05,0}
assign (resid 125 and name ha  ) (resid 126 and name hn  ) 1.8 0 3.2  {W,  3.95,1.03e+05,0}
assign (resid 123 and name ha  ) (resid 126 and name hn  ) 1.8 0 3.2  {W,  3.48,1.26e+05,0}
assign (resid 126 and name hb2 ) (resid 126 and name hn  ) 1.8 0 1.5  {M,  1.98,3.88e+05,0}
assign (resid 125 and name hb* ) (resid 126 and name hn  ) 1.8 0 4.2  { }
assign (resid 126 and name hb1 ) (resid 126 and name hn  ) 1.8 0 3.2  {W,  1.46,2.45e+05,0}
assign (resid 129 and name hd1*) (resid 126 and name hn  ) 1.8 0 4.2  {W,  0.90,4.97e+04,0}
assign (resid 126 and name hd2*) (resid 126 and name hn  ) 1.8 0 4.2  {W,  0.62,1.23e+05,0}
assign (resid 126 and name hd1*) (resid 126 and name hn  ) 1.8 0 4.2  {W,  0.46,1.17e+05,0}
assign (resid 126 and name hn  ) (resid 127 and name hn  ) 1.8 0 3.2  {W,  8.57,1.38e+05,1}
assign (resid 128 and name hn  ) (resid 127 and name hn  ) 1.8 0 1.5  {M,  7.35,1.73e+05,1}
assign (resid 127 and name ha  ) (resid 127 and name hn  ) 1.8 0 1.5  {M,  4.05,1.93e+05,0}
assign (resid 126 and name ha  ) (resid 127 and name hn  ) 1.8 0 3.2  { }
assign (resid 124 and name ha  ) (resid 127 and name hn  ) 1.8 0 3.2  { }
assign (resid 127 and name hb2 ) (resid 127 and name hn  ) 1.8 0 3.2  {W,  2.05,1.55e+05,0}
assign (resid 127 and name hg2 ) (resid 127 and name hn  ) 1.8 0 1.5  {M,  1.82,4.71e+05,0}
assign (resid 127 and name hg1 ) (resid 127 and name hn  ) 1.8 0 1.5  {M,  1.47,1.77e+05,0}
assign (resid 127 and name hb1 ) (resid 127 and name hn  ) 1.8 0 2.0  { }
assign (resid 126 and name hd2*) (resid 127 and name hn  ) 1.8 0 3.2  { }
assign (resid 129 and name hd1*) (resid 127 and name hn  ) 1.8 0 4.2  {W,  0.92,3.56e+04,0}
assign (resid 126 and name hd1*) (resid 127 and name hn  ) 1.8 0 4.2  {W,  0.46,2.18e+04,0}
assign (resid 126 and name hn  ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  8.59,2.64e+04,-1}
assign (resid 127 and name hn  ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  7.77,2.67e+05,1}
assign (resid 128 and name ha  ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  4.46,3.15e+05,0}
assign (resid 127 and name ha  ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  4.07,1.42e+05,0}
assign (resid 124 and name ha  ) (resid 128 and name hn  ) 1.8 0 4.2  { }
assign (resid 125 and name ha  ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  3.95,9.29e+04,0}
assign (resid 127 and name hb2 ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  2.05,2.64e+05,0}
assign (resid 128 and name hb2 ) (resid 128 and name hn  ) 1.8 0 1.5  { }
assign (resid 127 and name hb1 ) (resid 128 and name hn  ) 1.8 0 3.2  { }
assign (resid 128 and name hb1 ) (resid 128 and name hn  ) 1.8 0 3.2  { }
assign (resid 128 and name hg2 ) (resid 128 and name hn  ) 1.8 0 1.5  {M,  1.84,5.16e+05,0}
assign (resid 128 and name hg1 ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  1.70,1.45e+05,0}
assign (resid 127 and name hg1 ) (resid 128 and name hn  ) 1.8 0 3.2  {W,  1.47,5.92e+04,0}
assign (resid 127 and name hn  ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  7.77,2.14e+04,1}
assign (resid 128 and name hn  ) (resid 129 and name hn  ) 1.8 0 3.2  { }
assign (resid 128 and name ha  ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  4.45,2.01e+05,0}
assign (resid 126 and name ha  ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  4.11,4.47e+05,0}
assign (resid 127 and name ha  ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  4.11,4.47e+05,0}
assign (resid 129 and name ha  ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  4.11,4.47e+05,0}
assign (resid 127 and name hb2 ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  2.05,8.02e+04,0}
assign (resid 127 and name hb2 ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  1.96,4.26e+05,0}
assign (resid 128 and name hb2 ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  1.96,4.26e+05,0}
assign (resid 129 and name hg  ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  1.96,4.26e+05,0}
assign (resid 129 and name hb2 ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  1.82,5.99e+05,0}
assign (resid 128 and name hg1 ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  1.63,2.47e+05,0}
assign (resid 129 and name hb1 ) (resid 129 and name hn  ) 1.8 0 3.2  {W,  1.63,2.47e+05,0}
assign (resid 129 and name hd2*) (resid 129 and name hn  ) 1.8 0 4.2  {W,  0.97,2.13e+05,0}
assign (resid 6 and name hn  )  (resid 83 and name he1 ) 1.8 0 3.2  {W,  9.18,3.81e+04,-1}
assign (resid 5 and name ha  )  (resid 83 and name he1 ) 1.8 0 3.2  {W,  5.73,2.12e+04,-1}
assign (resid 81 and name hb  ) (resid 83 and name he1 ) 1.8 0 3.2  {W,  4.04,8.72e+04,-1}
assign (resid 5 and name hg2 )  (resid 83 and name he1 ) 1.8 0 3.2  {W,  2.66,2.92e+04,-1}
assign (resid 5 and name hb2 )  (resid 83 and name he1 ) 1.8 0 3.2  {W,  2.31,1.63e+05,-1}
assign (resid 5 and name hb1 )  (resid 83 and name he1 ) 1.8 0 3.2  {W,  2.21,8.20e+04,-1}
assign (resid 46 and name hg1 ) (resid 83 and name he1 ) 1.8 0 3.2  {W,  0.84,4.70e+04,0}
assign (resid 81 and name hg2*) (resid 83 and name he1 ) 1.8 0 2.5  {M,  0.67,2.94e+05,-1}
assign (resid 81 and name hg2*) (resid 83 and name he1 ) 1.8 0 4.2  {W,  0.62,1.51e+05,0}
assign (resid 93 and name ha  ) (resid 90 and name he1 ) 1.8 0 3.2  {W,  5.26,1.85e+05,-1}
assign (resid 94 and name hd1 ) (resid 90 and name he1 ) 1.8 0 3.2  {W,  3.69,2.28e+05,0}
assign (resid 94 and name hg1 ) (resid 90 and name he1 ) 1.8 0 3.7  {W,  1.02,2.61e+04,0}
assign (resid 60 and name hg2*) (resid 90 and name he1 ) 1.8 0 4.7  {W,  0.27,1.39e+05,-1}
assign (resid 63 and name hb1 ) (resid 95 and name he1 ) 1.8 0 3.7  {W,  1.60,4.32e+04,-1}
assign (resid 19 and name he* ) (resid 104 and name he1 ) 1.8 0 4.2  {W,  6.63,3.15e+04,0}
assign (resid 19 and name hd* ) (resid 104 and name he1 ) 1.8 0 4.2  {W,  5.56,5.68e+04,0}
assign (resid 19 and name ha  ) (resid 104 and name he1 ) 1.8 0 3.2  {W,  4.11,2.19e+04,-1}
assign (resid 94 and name hg2 ) (resid 104 and name he1 ) 1.8 0 3.2  {W,  1.49,2.11e+04,0}
assign (resid 94 and name hb2 ) (resid 104 and name he1 ) 1.8 0 3.2  {W,  0.72,2.95e+04,0}
assign (resid 60 and name hg2*) (resid 104 and name he1 ) 1.8 0 5.7  {W,  0.29,2.66e+04,0}

!**** NOE from 100 msec 1H-13C NOESY-HSQC *************************************
assign (resid 79 and name hb*) (resid 2 and name ha  ) 1.8 0 4.2  {W,  3.20,3.34e+05,-1}
assign (resid 2 and name he* ) (resid 2 and name ha  ) 1.8 0 4.2  {W,  3.06,6.57e+05,1}
assign (resid 3 and name ha  ) (resid 2 and name hb2 ) 1.8 0 3.2  {W,  5.32,3.60e+05,1}
assign (resid 78 and name ha ) (resid 2 and name hb2 ) 1.8 0 4.7  {W,  5.21,3.97e+05,1}
assign (resid 2 and name ha  ) (resid 2 and name hd* ) 1.8 0 4.2  {W,  4.44,2.52e+05,0}
assign (resid 1 and name ha  ) (resid 2 and name hd* ) 1.8 0 4.2  {W,  3.77,1.48e+05,0}
assign (resid 79 and name hb*) (resid 2 and name hd* ) 1.8 0 5.2  {W,  3.19,5.70e+05,0}
assign (resid 1 and name hg2 ) (resid 2 and name hd* ) 1.8 0 4.2  {W,  2.47,1.52e+05,0}
assign (resid 1 and name hg1 ) (resid 2 and name hd* ) 1.8 0 4.2  {W,  2.32,4.88e+05,-1}
assign (resid 3 and name hg1 ) (resid 2 and name hd* ) 1.8 0 4.7  {W,  1.35,4.73e+05,0}
assign (resid 4 and name hd* ) (resid 2 and name hd* ) 1.8 0 5.7  {W,  0.99,4.21e+05,0}
assign (resid 78 and name hd1) (resid 2 and name he* ) 1.8 0 4.2  {W,  2.94,2.50e+06,0}
assign (resid 4 and name hd* ) (resid 2 and name he* ) 1.8 0 5.2  {W,  1.01,1.25e+06,0}
assign (resid 2 and name ha  ) (resid 3 and name hb2 ) 1.8 0 3.2  {W, 4.47,1.60e+06,1}
assign (resid 3 and name hd* ) (resid 3 and name hb1 ) 1.8 0 2.5  {M,  1.62,2.67e+06,1}
assign (resid 2 and name he* ) (resid 3 and name hd* ) 1.8 0 5.7  {W, 3.04,1.31e+06,-1}
assign (resid 3 and name hb2 ) (resid 3 and name hd* ) 1.8 0 2.0  {S,  1.85,6.36e+06,-1}
assign (resid 5 and name hg2 ) (resid 3 and name he* ) 1.8 0 4.2  {W,  2.71,1.11e+06,-1}
assign (resid 5 and name hg2 ) (resid 3 and name he* ) 1.8 0 4.2  {W,  2.65,9.23e+05,-1}
assign (resid 3 and name hg2 ) (resid 3 and name he* ) 1.8 0 4.2  {W,  1.54,1.75e+06,0}
assign (resid 3 and name hg1 ) (resid 3 and name he* ) 1.8 0 4.2  {W,  1.38,1.30e+06,0}
assign (resid 4 and name hd* ) (resid 4 and name ha  ) 1.8 0 4.2  {W,  0.97,1.49e+06,-1}
assign (resid 4 and name hd* ) (resid 4 and name hb* ) 1.8 0 5.2  {W,  0.95,1.62e+06,1}
assign (resid 39 and name he*) (resid 4 and name hd* ) 1.8 0 5.2  {W,  3.02,2.14e+05,-1}
assign (resid 5 and name hg1 ) (resid 4 and name hd* ) 1.8 0 4.2  {W,  2.38,5.97e+05,-1}
assign (resid 4 and name hb* ) (resid 4 and name hd* ) 1.8 0 5.2  {W,  1.71,9.78e+05,1}
assign (resid 80 and name hg2*)(resid 4 and name hd* ) 1.8 0 5.2  {W,  0.88,2.28e+05,1}
assign (resid 81 and name hb ) (resid 5 and name ha  ) 1.8 0 3.2  {W,  4.04,6.00e+05,-1}
assign (resid 5 and name hg2 ) (resid 5 and name ha  ) 1.8 0 3.2  {W,  2.67,4.24e+05,1}
assign (resid 81 and name hg2*)(resid 5 and name ha  ) 1.8 0 4.2  {W,  0.68,4.24e+05,-1}
assign (resid 41 and name hb*) (resid 5 and name hb2 ) 1.8 0 4.2  {W,  2.07,1.00e+06,0}
assign (resid 40 and name hb ) (resid 5 and name hb2 ) 1.8 0 3.2  {W,  1.64,6.17e+05,1}
assign (resid 40 and name hg2*)(resid 5 and name hb1 ) 1.8 0 4.2  {W,  0.70,1.99e+06,-1}
assign (resid 5 and name ha  ) (resid 5 and name hg2 ) 1.8 0 3.2  {W, 5.74,4.38e+05,1}
assign (resid 81 and name hb ) (resid 5 and name hg2 ) 1.8 0 3.2  {W,  4.04,4.37e+05,-1}
assign (resid 5 and name ha  ) (resid 5 and name hg1 ) 1.8 0 3.2  {W,  5.74,4.41e+05,1}
assign (resid 81 and name hb ) (resid 5 and name hg1 ) 1.8 0 3.2  {W,  4.04,6.70e+05,1}
assign (resid 72 and name hg1) (resid 5 and name hg1 ) 1.8 0 3.2  {W,  2.03,1.14e+06,0}
assign (resid 3 and name hg1 ) (resid 5 and name hg1 ) 1.8 0 3.2  {W,  1.38,4.12e+05,0}
assign (resid 39 and name ha ) (resid 6 and name ha  ) 1.8 0 3.2  {W,  4.41,6.17e+05,1}
assign (resid 8 and name hg1*) (resid 6 and name ha  ) 1.8 0 4.2  {W,  0.39,2.68e+05,0}
assign (resid 81 and name hb ) (resid 6 and name hb  ) 1.8 0 3.2  {W,  4.06,3.79e+05,-1}
assign (resid 82 and name hb2) (resid 6 and name hb  ) 1.8 0 3.2  {W,  1.77,2.46e+06,-1}
assign (resid 80 and name hg2*)(resid 6 and name hb  ) 1.8 0 4.2  {W,  0.93,4.92e+05,1}
assign (resid 82 and name hb2 )(resid 6 and name hg11) 1.8 0 3.2  {W,  1.75,3.23e+05,1}
assign (resid 82 and name hd1*)(resid 6 and name hg11) 1.8 0 4.2  {W,  0.70,2.53e+05,1}
assign (resid 83 and name hb2) (resid 7 and name ha  ) 1.8 0 3.2  {W,  3.47,5.77e+05,-1}
assign (resid 8 and name hg1*) (resid 7 and name ha  ) 1.8 0 4.2  {W,  0.39,4.77e+05,-1}
assign (resid 46 and name hb1) (resid 7 and name hb* ) 1.8 0 4.2  {W,  1.19,7.38e+05,0}
assign (resid 8 and name hg2*) (resid 8 and name ha  ) 1.8 0 4.2  {W,  0.91,2.48e+05,1}
assign (resid 8 and name hg1*) (resid 8 and name ha  ) 1.8 0 4.2  {W,  0.38,2.36e+05,-1}
assign (resid 82 and name hd1*)(resid 8 and name hg1*) 1.8 0 5.2  {W,  0.70,3.33e+05,1}
assign (resid 84 and name hd* )(resid 8 and name hg2*) 1.8 0 5.2  {W,  6.91,2.48e+05,0}
assign (resid 37 and name ha2 )(resid 8 and name hg2*) 1.8 0 4.2  {W,  4.80,2.53e+05,-1}
assign (resid 8 and name ha  ) (resid 8 and name hg2*) 1.8 0 4.2  {W,  4.80,2.53e+05,1}
assign (resid 37 and name ha2 )(resid 8 and name hg2*) 1.8 0 4.2  {W,  4.80,2.53e+05,-1}
assign (resid 8 and name ha  ) (resid 8 and name hg2*) 1.8 0 4.2  {W,  4.80,2.53e+05,1}
assign (resid 37 and name ha2 )(resid 8 and name hg2*) 1.8 0 4.2  {W,  4.80,2.53e+05,-1}
assign (resid 35 and name hb2 )(resid 8 and name hg2*) 1.8 0 4.2  {W,  3.49,2.67e+05,1}
assign (resid 35 and name hb1 )(resid 8 and name hg2*) 1.8 0 4.2  {W,  2.79,2.73e+05,1}
assign (resid 10 and name hg12) (resid 10 and name ha  ) 1.8 0 3.2  {W,  1.07,2.31e+05,-1}
assign (resid 10 and name hg11) (resid 10 and name ha  ) 1.8 0 3.2  {W,  0.52,5.03e+05,1}
assign (resid 18 and name hg2*) (resid 10 and name hg12) 1.8 0 4.2  {W,  0.97,8.92e+05,-1}
assign (resid 11 and name hg11) (resid 10 and name hg2*) 1.8 0 4.2  {W,  0.27,2.72e+05,0}
assign (resid 10 and name ha  ) (resid 10 and name hg11) 1.8 0 3.2  {W,  4.08,4.14e+05,1}
assign (resid 18 and name hg2*) (resid 10 and name hg11) 1.8 0 4.2  {W,  1.03,9.03e+05,1}
assign (resid 94 and name hb2 ) (resid 11 and name hb  ) 1.8 0 3.2  {W,  0.78,1.02e+06,0}
assign (resid 96 and name ha1 ) (resid 11 and name hg12) 1.8 0 3.2  {W,  4.02,2.18e+05,-1}
assign (resid 96 and name ha1 ) (resid 11 and name hg12) 1.8 0 3.2  {W,  3.94,2.64e+05,-1}
assign (resid 36 and name hb1 ) (resid 11 and name hg12) 1.8 0 3.2  {W,  1.73,1.51e+06,-1}
assign (resid 87 and name hg2*) (resid 11 and name hg12) 1.8 0 4.2  {W,  1.23,1.24e+06,1}
assign (resid 8 and name hg2*)  (resid 11 and name hg12) 1.8 0 4.2  {W,  0.88,3.52e+05,0}
assign (resid 90 and name he3 ) (resid 11 and name hg2*) 1.8 0 4.2  {W,  7.03,3.55e+05,0}
assign (resid 50 and name hg2*) (resid 11 and name hg2*) 1.8 0 5.7  {W,  0.53,6.30e+05,0}
assign (resid 18 and name ha  ) (resid 12 and name ha  ) 1.8 0 3.2  {W,  6.15,7.65e+05,1}
assign (resid 12 and name hg2 ) (resid 12 and name ha  ) 1.8 0 3.2  {W,  2.12,5.73e+05,-1}
assign (resid 12 and name hg1 ) (resid 12 and name ha  ) 1.8 0 3.2  {W,  1.60,7.37e+05,-1}
assign (resid 18 and name hg2*) (resid 12 and name ha  ) 1.8 0 4.2  {W,  1.03,5.86e+05,-1}
assign (resid 20 and name hg2*) (resid 12 and name ha  ) 1.8 0 5.7  {W,  0.86,5.26e+05,0}
assign (resid 88 and name hg* ) (resid 12 and name hb2 ) 1.8 0 4.2  {W,  2.30,1.19e+06,1}
assign (resid 86 and name hd1*) (resid 12 and name hb2 ) 1.8 0 4.2  {W,  0.62,6.42e+05,1}
assign (resid 88 and name hg* ) (resid 12 and name hb1 ) 1.8 0 4.2  {W,  2.32,7.53e+05,-1}
assign (resid 13 and name hb1 ) (resid 12 and name hg2 ) 1.8 0 4.2  {W,  2.67,2.00e+05,0}
assign (resid 86 and name hb1 ) (resid 12 and name hg2 ) 1.8 0 3.2  {W,  1.07,2.17e+05,0}
assign (resid 10 and name hb  ) (resid 12 and name hg1 ) 1.8 0 3.7  {W,  1.79,2.72e+05,0}
assign (resid 86 and name hb1 ) (resid 12 and name hg1 ) 1.8 0 3.2  {W,  1.07,3.30e+05,0}
assign (resid 12 and name hb2 ) (resid 12 and name hd2 ) 1.8 0 3.2  {W,  2.05,7.29e+05,-1}
assign (resid 110 and name hb2 ) (resid 12 and name hd2 ) 1.8 0 3.2  {W,  1.83,5.88e+05,1}
assign (resid 12 and name hb1 ) (resid 12 and name hd2 ) 1.8 0 3.2  {W,  1.34,3.41e+05,-1}
assign (resid 129 and name hd2*) (resid 12 and name hd2 ) 1.8 0 4.2  {W,  0.95,3.60e+05,-1}
assign (resid 129 and name hd1*) (resid 12 and name hd2 ) 1.8 0 4.2  {W,  0.87,3.54e+05,0}
assign (resid 86 and name hd1*) (resid 12 and name hd2 ) 1.8 0 4.2  {W,  0.62,3.27e+05,-1}
assign (resid 12 and name hb2 ) (resid 12 and name hd1 ) 1.8 0 3.2  {W,  2.05,5.61e+05,-1}
assign (resid 10 and name hb  ) (resid 12 and name hd1 ) 1.8 0 3.2  {W,  1.75,3.76e+05,0}
assign (resid 12 and name hb1 ) (resid 12 and name hd1 ) 1.8 0 3.2  {W,  1.34,5.75e+05,-1}
assign (resid 129 and name hd2*) (resid 12 and name hd1 ) 1.8 0 4.2  {W,  0.91,5.34e+05,1}
assign (resid 86 and name hd1*) (resid 12 and name hd1 ) 1.8 0 4.2  {W,  0.62,3.73e+05,-1}
assign (resid 14 and name hg1 ) (resid 14 and name ha  ) 1.8 0 3.2  {W,  2.26,5.08e+05,1}
assign (resid 104 and name hb* ) (resid 14 and name hb1 ) 1.8 0 4.7  {W,  3.06,4.38e+05,-1}
assign (resid 14 and name ha  ) (resid 14 and name hg1 ) 1.8 0 3.2  {W,  4.29,6.46e+05,1}
assign (resid 14 and name hb1 ) (resid 15 and name hb2 ) 1.8 0 3.2  {W,  1.99,3.00e+05,-1}
assign (resid 17 and name hg2 ) (resid 15 and name hb1 ) 1.8 0 3.2  {W,  2.24,5.48e+05,-1}
assign (resid 108 and name hg2*) (resid 15 and name hb1 ) 1.8 0 4.2  {W,  1.03,6.36e+05,0}
assign (resid 12 and name hd2 ) (resid 16 and name ha  ) 1.8 0 3.2  {W,  3.20,4.56e+05,-1}
assign (resid 12 and name hd1 ) (resid 16 and name ha  ) 1.8 0 3.2  {W,  3.06,3.02e+05,-1}
assign (resid 12 and name hg2 ) (resid 16 and name ha  ) 1.8 0 3.2  {W,  2.14,5.54e+05,-1}
assign (resid 12 and name hg1 ) (resid 16 and name ha  ) 1.8 0 3.2  {W,  1.63,6.80e+05,-1}
assign (resid 129 and name hd2*) (resid 16 and name ha  ) 1.8 0 4.2  {W,  0.91,3.54e+05,-1}
assign (resid 129 and name hd2*) (resid 16 and name hb2 ) 1.8 0 4.2  {W,  0.91,4.79e+05,0}
assign (resid 15 and name ha  ) (resid 16 and name hb1 ) 1.8 0 4.2  {W,  4.95,3.67e+05,-1}
assign (resid 106 and name ha  ) (resid 17 and name ha  ) 1.8 0 3.2  {W, 4.49,1.51e+05,1}
assign (resid 17 and name hg2 ) (resid 17 and name ha  ) 1.8 0 3.2  {W,  2.24,3.04e+05,1}
assign (resid 16 and name ha  ) (resid 17 and name hb2 ) 1.8 0 3.7  {W,  4.31,6.54e+05,-1}
assign (resid 17 and name ha  ) (resid 17 and name hg2 ) 1.8 0 3.2  {W,  5.06,3.08e+05,1}
assign (resid 12 and name ha  ) (resid 18 and name ha  ) 1.8 0 3.2  {W,  5.89,5.90e+05,1}
assign (resid 18 and name hg2*) (resid 18 and name ha  ) 1.8 0 4.2  {W,  1.03,8.08e+05,1}
assign (resid 20 and name hg2*) (resid 18 and name ha  ) 1.8 0 4.2  {W,  0.86,4.05e+05,-1}
assign (resid 20 and name hg2*) (resid 18 and name hb  ) 1.8 0 4.2  {W,  0.86,9.76e+05,1}
assign (resid 18 and name ha  ) (resid 18 and name hg2*) 1.8 0 4.2  {W,  6.15,3.06e+05,1}
assign (resid 10 and name hb  ) (resid 18 and name hg2*) 1.8 0 4.2  {W,  1.77,2.46e+05,0}
assign (resid 110 and name hd1*) (resid 18 and name hg2*) 1.8 0 5.2  {W,  0.89,1.20e+06,-1}
assign (resid 10 and name hg11) (resid 18 and name hg2*) 1.8 0 4.2  {W,  0.52,6.26e+05,1}
assign (resid 20 and name hg2*) (resid 18 and name hg12) 1.8 0 4.2  {W,  0.87,5.94e+05,1}
assign (resid 19 and name hd* ) (resid 19 and name ha  ) 1.8 0 4.2  {W,  5.56,2.62e+05,0}
assign (resid 104 and name ha  ) (resid 19 and name ha  ) 1.8 0 3.2  {W,  4.98,4.36e+05,1}
assign (resid 19 and name hd* ) (resid 19 and name hb2 ) 1.8 0 4.2  {W,  5.56,3.61e+05,0}
assign (resid 104 and name ha  ) (resid 19 and name hb2 ) 1.8 0 3.2  {W,  4.94,6.66e+05,-1}
assign (resid 35 and name ha  ) (resid 20 and name ha  ) 1.8 0 3.2  {W,  5.19,3.09e+05,-1}
assign (resid 36 and name hd2 ) (resid 20 and name ha  ) 1.8 0 3.2  {W,  4.41,2.56e+05,-1}
assign (resid 36 and name hd1 ) (resid 20 and name ha  ) 1.8 0 3.2  {W,  4.08,3.38e+05,-1}
assign (resid 20 and name hg2*) (resid 20 and name ha  ) 1.8 0 4.2  {W,  0.85,5.26e+05,-1}
assign (resid 22 and name hd2 ) (resid 20 and name hg2*) 1.8 0 4.2  {W,  3.06,3.73e+05,-1}
assign (resid 105 and name he* ) (resid 20 and name hg2*) 1.8 0 5.2  {W,  1.91,1.81e+06,0}
assign (resid 18 and name hg12) (resid 20 and name hg2*) 1.8 0 4.2  {W,  1.50,3.45e+05,1}
assign (resid 33 and name hd2*) (resid 20 and name hg2*) 1.8 0 5.2  {W,  0.49,4.79e+05,1}
assign (resid 105 and name hg* ) (resid 20 and name hb  ) 1.8 0 4.2  {W,  2.52,4.37e+05,-1}
assign (resid 22 and name hb2 ) (resid 20 and name hb  ) 1.8 0 3.7  {W,  1.65,4.89e+05,-1}
assign (resid 21 and name hg2*) (resid 20 and name hb  ) 1.8 0 4.2  {W,  1.23,4.63e+05,0}
assign (resid 101 and name hd1 ) (resid 21 and name ha  ) 1.8 0 3.2  {W, 3.65,9.57e+05,1}
assign (resid 21 and name hg2*) (resid 21 and name ha  ) 1.8 0 4.2  {W,  1.28,5.77e+05,0}
assign (resid 100 and name hg* ) (resid 21 and name hb  ) 1.8 0 4.2  {W,  2.32,2.28e+05,-1}
assign (resid 33 and name ha  ) (resid 22 and name ha  ) 1.8 0 3.2  {W,  4.45,4.36e+05,1}
assign (resid 22 and name hg* ) (resid 22 and name ha  ) 1.8 0 4.2  {W,  1.36,6.64e+05,-1}
assign (resid 33 and name hd2*) (resid 22 and name ha  ) 1.8 0 4.2  {W,  0.50,3.66e+05,-1}
assign (resid 105 and name he* ) (resid 22 and name hb2 ) 1.8 0 4.2  {W,  1.91,4.25e+05,0}
assign (resid 33 and name ha  ) (resid 22 and name hd2 ) 1.8 0 3.2  {W,  4.45,3.80e+05,-1}
assign (resid 103 and name hg1 ) (resid 22 and name hd2 ) 1.8 0 3.7  {W,  1.81,3.60e+05,-1}
assign (resid 22 and name hb2 ) (resid 22 and name hd2 ) 1.8 0 3.2  {W,  1.64,1.49e+06,-1}
assign (resid 23 and name hg1 ) (resid 22 and name hd2 ) 1.8 0 3.2  {W,  1.46,1.09e+06,1}
assign (resid 22 and name hb2 ) (resid 22 and name hd1 ) 1.8 0 3.2  {W,  1.60,3.29e+05,-1}
assign (resid 23 and name hg2 ) (resid 23 and name ha  ) 1.8 0 3.2  {W,  1.54,6.45e+05,-1}
assign (resid 32 and name hd2 ) (resid 23 and name ha  ) 1.8 0 3.2  {W,  1.54,6.45e+05,-1}
assign (resid 27 and name hb* ) (resid 23 and name ha  ) 1.8 0 4.2  {W,  1.28,6.02e+05,-1}
assign (resid 29 and name ha  ) (resid 23 and name hd* ) 1.8 0 4.2  {W,  4.45,3.80e+05,-1}
assign (resid 23 and name hb2 ) (resid 23 and name hd* ) 1.8 0 4.2  {W,  1.64,1.49e+06,0}
assign (resid 22 and name hg* ) (resid 23 and name hd* ) 1.8 0 5.2  {W,  1.36,5.94e+05,-1}
assign (resid 22 and name hg* ) (resid 23 and name hg2 ) 1.8 0 4.2  {W,  1.38,1.56e+06,-1}
assign (resid 22 and name hg* ) (resid 23 and name hg1 ) 1.8 0 4.2  {W,  1.32,2.82e+05,-1}
assign (resid 32 and name hg* ) (resid 23 and name hg1 ) 1.8 0 4.2  {W,  1.23,2.64e+05,-1}
assign (resid 33 and name hd2*) (resid 23 and name hg1 ) 1.8 0 4.2  {W,  0.52,2.34e+05,0}
assign (resid 32 and name he* ) (resid 24 and name hb* ) 1.8 0 5.2  {W,  2.83,3.05e+05,0}
assign (resid 101 and name hg* ) (resid 24 and name hb* ) 1.8 0 5.2  {W,  1.97,2.25e+05,-1}
assign (resid 23 and name hb2 ) (resid 24 and name hb* ) 1.8 0 4.7  {W,  1.63,4.20e+05,0}
assign (resid 23 and name hb2 ) (resid 25 and name hb* ) 1.8 0 4.2  {W,  1.62,4.53e+05,0}
assign (resid 27 and name hb* ) (resid 25 and name hb* ) 1.8 0 5.2  {W,  1.25,1.41e+06,0}
assign (resid 23 and name hg2 ) (resid 27 and name hb* ) 1.8 0 4.2  {W,  1.56,3.43e+05,-1}
assign (resid 32 and name hg* ) (resid 27 and name hb* ) 1.8 0 5.2  {W,  1.23,8.86e+05,0}
assign (resid 30 and name hb* ) (resid 29 and name ha  ) 1.8 0 4.2  {W,  1.40,4.36e+05,-1}
assign (resid 32 and name hb* ) (resid 29 and name hb2 ) 1.8 0 4.2  {W,  1.63,1.07e+06,0}
assign (resid 32 and name hb* ) (resid 29 and name hb1 ) 1.8 0 4.2  {W,  1.63,1.23e+06,0}
assign (resid 29 and name he* ) (resid 29 and name hg2 ) 1.8 0 4.2  {W,  2.09,3.94e+05,-1}
assign (resid 29 and name hb1 ) (resid 29 and name he* ) 1.8 0 4.2  {W,  1.95,2.14e+06,-1}
assign (resid 29 and name hb2 ) (resid 29 and name he* ) 1.8 0 4.2  {W,  1.95,2.14e+06,-1}
assign (resid 29 and name hb1 ) (resid 29 and name he* ) 1.8 0 4.2  {W,  1.95,2.14e+06,-1}
assign (resid 29 and name hb2 ) (resid 29 and name he* ) 1.8 0 4.2  {W,  1.95,2.14e+06,-1}
assign (resid 29 and name hb1 ) (resid 29 and name he* ) 1.8 0 4.2  {W,  1.95,2.14e+06,-1}
assign (resid 29 and name hb2 ) (resid 29 and name he* ) 1.8 0 4.2  {W,  1.95,2.14e+06,-1}
assign (resid 114 and name hb2 ) (resid 30 and name hb* ) 1.8 0 4.2  {W,  2.83,5.12e+05,0}
assign (resid 29 and name hb2 ) (resid 30 and name hb* ) 1.8 0 4.2  {W,  1.97,2.26e+05,-1}
assign (resid 32 and name hb* ) (resid 30 and name hb* ) 1.8 0 5.2  {W,  1.62,6.69e+05,-1}
assign (resid 27 and name hb* ) (resid 30 and name hb* ) 1.8 0 5.2  {W,  1.25,1.78e+06,-1}
assign (resid 32 and name hd2 ) (resid 32 and name ha  ) 1.8 0 3.2  {W,  1.54,6.45e+05,-1}
assign (resid 33 and name hg  ) (resid 32 and name ha  ) 1.8 0 3.2  {W,  1.28,6.02e+05,-1}
assign (resid 22 and name hd2 ) (resid 32 and name hg* ) 1.8 0 4.2  {W,  3.02,2.93e+05,-1}
assign (resid 32 and name he* ) (resid 32 and name hg* ) 1.8 0 5.2  {W,  2.83,2.15e+05,-1}
assign (resid 23 and name hb1 ) (resid 32 and name hd2 ) 1.8 0 3.2  {W,  1.66,6.83e+05,0}
assign (resid 32 and name hb* ) (resid 32 and name he* ) 1.8 0 5.2  {W,  1.67,3.80e+05,-1}
assign (resid 22 and name ha  ) (resid 33 and name ha  ) 1.8 0 3.2  {W,  4.62,4.69e+05,1}
assign (resid 33 and name hd1*) (resid 33 and name ha  ) 1.8 0 4.2  {W,  0.49,1.06e+06,1}
assign (resid 33 and name hd2*) (resid 33 and name hb1 ) 1.8 0 4.2  {W,  0.48,3.46e+05,1}
assign (resid 114 and name hb2 ) (resid 33 and name hd2*) 1.8 0 4.2  {W, 2.87,2.46e+05,-1}
assign (resid 105 and name he* ) (resid 33 and name hd2*) 1.8 0 5.2  {W,  1.95,4.24e+05,0}
assign (resid 20 and name hg2*) (resid 33 and name hd2*) 1.8 0 5.2  {W,  0.86,3.80e+05,1}
assign (resid 33 and name hb1 ) (resid 33 and name hd2*) 1.8 0 4.2  {W, -0.08,3.70e+05,1}
assign (resid 33 and name ha  ) (resid 33 and name hd1*) 1.8 0 4.2  {W,  4.45,8.05e+05,1}
assign (resid 105 and name he* ) (resid 33 and name hd1*) 1.8 0 5.2  {W,  1.93,4.10e+05,0}
assign (resid 20 and name hg11) (resid 33 and name hd1*) 1.8 0 4.2  {W,  1.34,7.03e+05,-1}
assign (resid 110 and name hd2*) (resid 33 and name hd1*) 1.8 0 5.2  {W,  0.86,5.93e+05,-1}
assign (resid 33 and name ha  ) (resid 34 and name ha  ) 1.8 0 3.2  {W,  4.45,3.24e+05,1}
assign (resid 20 and name hg11) (resid 34 and name ha  ) 1.8 0 3.7  {W,  1.34,4.39e+05,-1}
assign (resid 32 and name he* ) (resid 34 and name hb2 ) 1.8 0 4.2  {W,  2.91,3.52e+05,-1}
assign (resid 116 and name hg* ) (resid 34 and name hb2 ) 1.8 0 4.2  {W,  2.44,6.19e+05,0}
assign (resid 119 and name hb2 ) (resid 34 and name hg2 ) 1.8 0 3.7  {W, 2.67,4.36e+05,-1}
assign (resid 116 and name hg* ) (resid 34 and name hg2 ) 1.8 0 4.2  {W,  2.38,1.76e+06,0}
assign (resid 116 and name hg* ) (resid 34 and name hg1 ) 1.8 0 4.2  {W,  2.40,4.40e+05,0}
assign (resid 35 and name hd* ) (resid 35 and name ha  ) 1.8 0 4.2  {W,  7.57,5.20e+05,0}
assign (resid 34 and name hb1 ) (resid 35 and name ha  ) 1.8 0 3.2  {W,  1.64,3.57e+05,-1}
assign (resid 35 and name hd* ) (resid 35 and name hb2 ) 1.8 0 4.2  {W,  7.57,1.86e+05,0}
assign (resid 8 and name hg2*) (resid 35 and name hb2 ) 1.8 0 4.2  {W,  0.91,2.35e+05,1}
assign (resid 35 and name hd* ) (resid 35 and name hb1 ) 1.8 0 4.2  {W,  7.57,1.62e+05,0}
assign (resid 8 and name hg2*) (resid 35 and name hb1 ) 1.8 0 4.2  {W,  0.91,2.41e+05,1}
assign (resid 97 and name ha  ) (resid 36 and name hb2 ) 1.8 0 3.2  {W,  4.45,4.40e+05,-1}
assign (resid 100 and name hg* ) (resid 36 and name hb2 ) 1.8 0 4.7  {W,  2.37,1.31e+06,0}
assign (resid 54 and name hd1*) (resid 36 and name hb2 ) 1.8 0 4.7  {W,  0.69,1.71e+05,0}
assign (resid 35 and name ha  ) (resid 36 and name hb1 ) 1.8 0 3.2  {W,  5.23,1.64e+05,-1}
assign (resid 36 and name hd1 ) (resid 36 and name hb1 ) 1.8 0 3.2  {W,  4.04,1.18e+05,-1}
assign (resid 98 and name hb* ) (resid 36 and name hb1 ) 1.8 0 4.2  {W,  2.09,9.03e+05,0}
assign (resid 10 and name ha  ) (resid 36 and name hg2 ) 1.8 0 3.2  {W,  4.08,4.24e+05,-1}
assign (resid 96 and name ha1 ) (resid 36 and name hg2 ) 1.8 0 3.2  {W,  4.00,3.84e+05,-1}
assign (resid 86 and name hd1*) (resid 36 and name hg2 ) 1.8 0 4.7  {W,  0.66,1.79e+05,1}
assign (resid 19 and name hd* ) (resid 36 and name hg1 ) 1.8 0 4.2  {W,  5.56,1.41e+05,0}
assign (resid 10 and name hg12) (resid 36 and name hg1 ) 1.8 0 3.7  {W,  1.15,1.73e+05,-1}
assign (resid 35 and name ha  ) (resid 36 and name hd2 ) 1.8 0 3.2  {W,  5.19,3.11e+05,-1}
assign (resid 35 and name ha  ) (resid 36 and name hd1 ) 1.8 0 3.2  {W,  5.21,3.37e+05,-1}
assign (resid 6 and name ha  ) (resid 39 and name ha  ) 1.8 0 3.2  {W,  4.53,1.12e+06,1}
assign (resid 39 and name hg2 ) (resid 39 and name ha  ) 1.8 0 3.2  {W,  1.54,1.76e+05,-1}
assign (resid 39 and name hg1 ) (resid 39 and name ha  ) 1.8 0 3.2  {W,  1.34,1.70e+05,-1}
assign (resid 6 and name hg11) (resid 39 and name ha  ) 1.8 0 3.2  {W,  1.01,1.30e+05,-1}
assign (resid 39 and name he* ) (resid 39 and name hg2 ) 1.8 0 4.2  {W,  2.98,2.32e+05,-1}
assign (resid 4 and name hd* ) (resid 39 and name hg1 ) 1.8 0 4.7  {W,  0.95,3.31e+05,-1}
assign (resid 4 and name hd* ) (resid 39 and name hd* ) 1.8 0 5.2  {W,  0.97,1.86e+05,1}
assign (resid 39 and name ha  ) (resid 39 and name he* ) 1.8 0 4.2  {W,  4.45,7.23e+05,-1}
assign (resid 41 and name ha  ) (resid 39 and name he* ) 1.8 0 4.2  {W,  4.41,7.37e+05,1}
assign (resid 3 and name he* ) (resid 39 and name he* ) 1.8 0 5.7  {W,  2.86,2.34e+05,0}
assign (resid 4 and name hg  ) (resid 39 and name he* ) 1.8 0 4.2  {W,  1.59,1.60e+06,0}
assign (resid 39 and name hg1 ) (resid 40 and name ha  ) 1.8 0 3.2  {W,  1.38,7.46e+05,-1}
assign (resid 49 and name hb* ) (resid 40 and name ha  ) 1.8 0 4.2  {W,  1.38,7.46e+05,1}
assign (resid 40 and name hg1*) (resid 40 and name ha  ) 1.8 0 4.2  {W,  0.78,7.08e+05,1}
assign (resid 5 and name hb2 ) (resid 40 and name hb  ) 1.8 0 3.2  {W,  2.32,1.89e+05,1}
assign (resid 5 and name hb1 ) (resid 40 and name hb  ) 1.8 0 3.2  {W,  2.20,3.72e+05,-1}
assign (resid 7 and name hb* ) (resid 40 and name hb  ) 1.8 0 4.2  {W,  1.25,1.94e+05,-1}
assign (resid 50 and name hg2*) (resid 40 and name hb  ) 1.8 0 4.2  {W,  0.56,3.70e+05,-1}
assign (resid 40 and name ha  ) (resid 40 and name hg2*) 1.8 0 4.2  {W,  3.79,1.27e+05,-1}
assign (resid 41 and name hb* ) (resid 40 and name hg2*) 1.8 0 5.2  {W,  2.08,1.32e+05,-1}
assign (resid 46 and name hb1 ) (resid 40 and name hg2*) 1.8 0 4.2  {W,  1.16,3.19e+05,0}
assign (resid 4 and name hd* ) (resid 40 and name hg2*) 1.8 0 5.7  {W,  0.99,1.09e+05,-1}
assign (resid 8 and name hg1*) (resid 40 and name hg2*) 1.8 0 5.7  {W,  0.35,1.13e+05,0}
assign (resid 40 and name ha  ) (resid 40 and name hg1*) 1.8 0 4.2  {W,  3.81,7.96e+05,1}
assign (resid 41 and name hb* ) (resid 40 and name hg1*) 1.8 0 5.2  {W,  2.11,4.95e+05,-1}
assign (resid 49 and name hb* ) (resid 40 and name hg1*) 1.8 0 5.2  {W,  1.36,1.15e+06,1}
assign (resid 50 and name hg2*) (resid 40 and name hg1*) 1.8 0 5.2  {W,  0.58,9.53e+05,-1}
assign (resid 39 and name he* ) (resid 41 and name ha  ) 1.8 0 4.2  {W,  3.00,1.68e+05,1}
assign (resid 41 and name hg2 ) (resid 41 and name ha  ) 1.8 0 3.2  {W,  2.38,3.02e+05,-1}
assign (resid 41 and name hg1 ) (resid 41 and name ha  ) 1.8 0 3.2  {W,  2.28,3.39e+05,-1}
assign (resid 40 and name hb  ) (resid 41 and name ha  ) 1.8 0 3.7  {W,  1.65,6.17e+05,-1}
assign (resid 39 and name hg1 ) (resid 41 and name ha  ) 1.8 0 3.2  {W,  1.32,1.45e+05,-1}
assign (resid 40 and name hb  ) (resid 41 and name hb* ) 1.8 0 4.7  {W,  1.63,1.01e+06,0}
assign (resid 42 and name hb* ) (resid 41 and name hg1 ) 1.8 0 4.2  {W,  2.03,1.79e+06,-1}
assign (resid 40 and name ha  ) (resid 41 and name hg2 ) 1.8 0 3.2  {W,  3.82,2.68e+05,-1}
assign (resid 53 and name hg1 ) (resid 41 and name hg2 ) 1.8 0 3.2  {W,  2.01,7.64e+05,0}
assign (resid 39 and name hg2 ) (resid 41 and name hg2 ) 1.8 0 3.2  {W,  1.50,1.71e+05,-1}
assign (resid 42 and name hg* ) (resid 42 and name ha  ) 1.8 0 4.2  {W,  2.65,2.72e+05,1}
assign (resid 41 and name hg2 ) (resid 42 and name ha  ) 1.8 0 3.2  {W,  2.38,1.20e+05,-1}
assign (resid 41 and name hg2 ) (resid 42 and name hb* ) 1.8 0 4.2  {W,  2.36,1.20e+06,-1}
assign (resid 52 and name hb2 ) (resid 42 and name hb* ) 1.8 0 4.2  {W,  1.81,7.91e+05,-1}
assign (resid 52 and name hb1 ) (resid 42 and name hb* ) 1.8 0 4.2  {W,  1.66,3.70e+05,0}
assign (resid 42 and name ha  ) (resid 42 and name hg* ) 1.8 0 4.2  {W,  4.23,3.42e+05,1}
assign (resid 49 and name ha  ) (resid 42 and name hg* ) 1.8 0 4.2  {W,  4.08,1.19e+05,-1}
assign (resid 53 and name hg2 ) (resid 42 and name he* ) 1.8 0 4.2  {W,  2.27,2.05e+06,-1}
assign (resid 42 and name hb* ) (resid 42 and name he* ) 1.8 0 5.2  {W,  2.03,1.57e+06,-1}
assign (resid 45 and name hb  ) (resid 43 and name ha1 ) 1.8 0 3.2  {W,  3.60,1.70e+05,0}
assign (resid 44 and name hg2 ) (resid 44 and name ha  ) 1.8 0 3.2  {W,  2.28,7.48e+05,1}
assign (resid 44 and name ha  ) (resid 44 and name hg2 ) 1.8 0 3.2  {W,  4.74,1.51e+05,1}
assign (resid 44 and name ha  ) (resid 44 and name hg1 ) 1.8 0 3.2  {W,  4.74,2.20e+05,1}
assign (resid 45 and name hg2*) (resid 45 and name ha  ) 1.8 0 4.2  {W,  1.28,9.14e+05,1}
assign (resid 45 and name ha  ) (resid 45 and name hg2*) 1.8 0 4.2  {W,  4.66,1.95e+06,1}
assign (resid 46 and name hd* ) (resid 45 and name hg2*) 1.8 0 5.2  {W,  3.65,3.12e+05,1}
assign (resid 46 and name hb2 ) (resid 45 and name hg2*) 1.8 0 4.2  {W,  1.60,2.62e+05,-1}
assign (resid 46 and name hb1 ) (resid 45 and name hg2*) 1.8 0 4.2  {W,  1.17,5.21e+05,-1}
assign (resid 49 and name hb* ) (resid 46 and name ha  ) 1.8 0 4.2  {W,  1.36,4.12e+05,1}
assign (resid 46 and name hg1 ) (resid 46 and name ha  ) 1.8 0 3.2  {W,  0.80,3.88e+05,0}
assign (resid 50 and name hg2*) (resid 46 and name ha  ) 1.8 0 4.2  {W,  0.58,6.61e+05,-1}
assign (resid 47 and name hg1 ) (resid 46 and name hb2 ) 1.8 0 3.2  {W,  1.93,2.19e+05,1}
assign (resid 49 and name hb* ) (resid 46 and name hb2 ) 1.8 0 4.2  {W,  1.36,3.30e+05,1}
assign (resid 50 and name hg1*) (resid 46 and name hb2 ) 1.8 0 4.2  {W, -0.16,1.44e+05,-1}
assign (resid 50 and name hg2*) (resid 46 and name hb1 ) 1.8 0 4.7  {W,  0.58,1.28e+05,0}
assign (resid 45 and name ha  ) (resid 46 and name hd* ) 1.8 0 4.2  {W,  4.66,1.43e+06,1}
assign (resid 46 and name hb2 ) (resid 46 and name hd* ) 1.8 0 4.2  {W,  1.58,1.53e+05,-1}
assign (resid 45 and name hg2*) (resid 46 and name hd* ) 1.8 0 5.2  {W,  1.28,3.02e+05,1}
assign (resid 50 and name ha  ) (resid 47 and name ha  ) 1.8 0 4.2  {W,  3.47,3.54e+05,-1}
assign (resid 65 and name hb2 ) (resid 47 and name ha  ) 1.8 0 4.2  {W,  3.31,2.37e+05,0}
assign (resid 50 and name hg1*) (resid 47 and name ha  ) 1.8 0 4.2  {W, -0.18,5.32e+05,1}
assign (resid 48 and name hg* ) (resid 47 and name hb2 ) 1.8 0 4.2  {W,  2.42,4.36e+05,-1}
assign (resid 48 and name hb1 ) (resid 47 and name hb1 ) 1.8 0 3.7  {W,  2.05,3.21e+05,-1}
assign (resid 52 and name hg* ) (resid 47 and name hb1 ) 1.8 0 4.7  {W,  1.52,1.77e+06,0}
assign (resid 48 and name hg* ) (resid 47 and name hg2 ) 1.8 0 4.2  {W,  2.40,1.15e+05,-1}
assign (resid 46 and name hb2 ) (resid 47 and name hg1 ) 1.8 0 3.2  {W,  1.58,1.18e+05,1}
assign (resid 50 and name hg1*) (resid 47 and name hg1 ) 1.8 0 4.2  {W, -0.16,1.35e+05,-1}
assign (resid 48 and name hg* ) (resid 48 and name ha  ) 1.8 0 4.2  {W,  2.42,1.03e+06,1}
assign (resid 42 and name hb* ) (resid 48 and name hb2 ) 1.8 0 4.2  {W,  2.12,1.70e+05,0}
assign (resid 47 and name hb2 ) (resid 48 and name hb2 ) 1.8 0 3.2  {W,  1.89,2.45e+05,-1}
assign (resid 47 and name hb1 ) (resid 48 and name hb2 ) 1.8 0 3.2  {W,  1.73,2.27e+05,-1}
assign (resid 42 and name hb* ) (resid 48 and name hb1 ) 1.8 0 4.2  {W,  2.12,1.62e+06,0}
assign (resid 52 and name hb1 ) (resid 48 and name hb1 ) 1.8 0 3.2  {W,  1.75,2.52e+05,1}
assign (resid 49 and name ha  ) (resid 48 and name hg* ) 1.8 0 4.7  {W,  4.04,3.30e+05,-1}
assign (resid 48 and name ha  ) (resid 48 and name hg* ) 1.8 0 4.2  {W,  3.80,7.01e+05,1}
assign (resid 52 and name hb2 ) (resid 49 and name ha  ) 1.8 0 3.2  {W,  1.83,2.17e+05,-1}
assign (resid 52 and name hb1 ) (resid 49 and name ha  ) 1.8 0 3.2  {W,  1.67,1.84e+05,1}
assign (resid 40 and name ha  ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  3.80,1.21e+06,1}
assign (resid 46 and name ha  ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  3.80,1.21e+06,1}
assign (resid 40 and name ha  ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  3.80,1.21e+06,1}
assign (resid 46 and name ha  ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  3.80,1.21e+06,1}
assign (resid 40 and name ha  ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  3.80,1.21e+06,1}
assign (resid 46 and name ha  ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  3.80,1.21e+06,1}
assign (resid 52 and name hb2 ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  1.79,2.28e+05,0}
assign (resid 40 and name hb  ) (resid 49 and name hb* ) 1.8 0 4.2  {W,  1.58,6.15e+05,-1}
assign (resid 40 and name hg1*) (resid 49 and name hb* ) 1.8 0 5.2  {W,  0.80,8.23e+05,1}
assign (resid 50 and name hg2*) (resid 49 and name hb* ) 1.8 0 5.2  {W,  0.58,2.68e+05,1}
assign (resid 54 and name hb2 ) (resid 50 and name ha  ) 1.8 0 3.2  {W,  1.79,2.27e+05,-1}
assign (resid 50 and name hg2*) (resid 50 and name ha  ) 1.8 0 4.2  {W,  0.54,8.41e+05,1}
assign (resid 50 and name hg1*) (resid 50 and name ha  ) 1.8 0 4.2  {W, -0.20,2.16e+05,-1}
assign (resid 85 and name hd1 ) (resid 50 and name hg2*) 1.8 0 4.2  {W,  7.18,2.06e+05,0}
assign (resid 50 and name ha  ) (resid 50 and name hg2*) 1.8 0 4.2  {W,  3.51,6.36e+05,1}
assign (resid 9 and name ha2 ) (resid 50 and name hg2*) 1.8 0 4.2  {W,  3.12,3.41e+05,-1}
assign (resid 85 and name hb* ) (resid 50 and name hg2*) 1.8 0 5.2  {W,  3.12,3.41e+05,-1}
assign (resid 9 and name ha2 ) (resid 50 and name hg2*) 1.8 0 4.2  {W,  3.12,3.41e+05,-1}
assign (resid 54 and name hg  ) (resid 50 and name hg2*) 1.8 0 4.2  {W,  1.81,2.86e+05,1}
assign (resid 47 and name ha  ) (resid 50 and name hg1*) 1.8 0 4.2  {W,  3.02,4.44e+05,1}
assign (resid 51 and name hg2*) (resid 50 and name hg1*) 1.8 0 5.2  {W,  0.78,4.93e+05,1}
assign (resid 48 and name ha  ) (resid 51 and name ha  ) 1.8 0 3.7  {W,  3.78,2.85e+05,-1}
assign (resid 54 and name hb2 ) (resid 51 and name ha  ) 1.8 0 3.2  {W,  1.75,3.43e+05,-1}
assign (resid 51 and name hg1*) (resid 51 and name ha  ) 1.8 0 4.2  {W,  0.86,4.88e+05,1}
assign (resid 51 and name hg2*) (resid 51 and name ha  ) 1.8 0 4.2  {W,  0.78,5.37e+05,1}
assign (resid 48 and name ha  ) (resid 51 and name hb  ) 1.8 0 3.2  {W,  3.80,1.49e+05,-1}
assign (resid 47 and name hg2 ) (resid 51 and name hb  ) 1.8 0 3.2  {W,  2.24,1.91e+05,1}
assign (resid 48 and name ha  ) (resid 51 and name hg1*) 1.8 0 4.2  {W,  3.77,4.70e+05,-1}
assign (resid 51 and name ha  ) (resid 51 and name hg1*) 1.8 0 4.2  {W,  3.06,3.73e+05,1}
assign (resid 47 and name hg2 ) (resid 51 and name hg1*) 1.8 0 4.2  {W,  2.26,3.52e+05,-1}
assign (resid 48 and name hb2 ) (resid 51 and name hg1*) 1.8 0 4.2  {W,  2.26,3.52e+05,-1}
assign (resid 52 and name hb2 ) (resid 51 and name hg1*) 1.8 0 4.2  {W,  1.79,9.58e+05,-1}
assign (resid 52 and name hg* ) (resid 51 and name hg1*) 1.8 0 5.2  {W,  1.50,3.45e+05,-1}
assign (resid 49 and name hb* ) (resid 51 and name hg1*) 1.8 0 5.2  {W,  1.40,6.73e+05,-1}
assign (resid 50 and name hg2*) (resid 51 and name hg1*) 1.8 0 5.7  {W,  0.50,4.79e+05,0}
assign (resid 51 and name hn  ) (resid 51 and name hg2*) 1.8 0 4.2  {W,  6.61,2.48e+05,0}
assign (resid 65 and name he* ) (resid 51 and name hg2*) 1.8 0 5.2  {W,  6.61,2.48e+05,0}
assign (resid 51 and name hn  ) (resid 51 and name hg2*) 1.8 0 4.2  {W,  6.61,2.48e+05,0}
assign (resid 48 and name ha  ) (resid 51 and name hg2*) 1.8 0 4.2  {W,  3.78,3.44e+05,-1}
assign (resid 51 and name ha  ) (resid 51 and name hg2*) 1.8 0 4.2  {W,  3.06,6.82e+05,1}
assign (resid 47 and name hb1 ) (resid 51 and name hg2*) 1.8 0 4.2  {W,  1.73,3.20e+05,-1}
assign (resid 54 and name hd2*) (resid 51 and name hg2*) 1.8 0 5.2  {W,  0.66,5.40e+05,-1}
assign (resid 50 and name hg1*) (resid 51 and name hg2*) 1.8 0 5.2  {W, -0.20,3.94e+05,1}
assign (resid 52 and name hg* ) (resid 52 and name ha  ) 1.8 0 4.2  {W,  1.50,2.32e+05,-1}
assign (resid 53 and name ha  ) (resid 52 and name hb2 ) 1.8 0 3.2  {W,  3.98,2.87e+05,1}
assign (resid 48 and name ha  ) (resid 52 and name hb2 ) 1.8 0 3.2  {W,  3.84,1.09e+05,-1}
assign (resid 56 and name hg2 ) (resid 52 and name hb2 ) 1.8 0 3.2  {W,  2.56,1.38e+05,-1}
assign (resid 48 and name hg* ) (resid 52 and name hb2 ) 1.8 0 4.2  {W,  2.36,2.55e+05,0}
assign (resid 55 and name hg1 ) (resid 52 and name hb2 ) 1.8 0 3.2  {W,  2.18,3.81e+05,1}
assign (resid 52 and name hd1 ) (resid 52 and name hb1 ) 1.8 0 3.2  {W,  3.02,7.93e+05,1}
assign (resid 55 and name hg1 ) (resid 52 and name hb1 ) 1.8 0 3.2  {W,  2.20,1.47e+05,-1}
assign (resid 48 and name hb1 ) (resid 52 and name hb1 ) 1.8 0 3.2  {W,  2.03,4.30e+05,1}
assign (resid 49 and name hb* ) (resid 52 and name hg* ) 1.8 0 5.2  {W,  1.34,1.54e+06,-1}
assign (resid 48 and name he21) (resid 52 and name hd2 ) 1.8 0 3.2  {W,  6.77,1.15e+05,0}
assign (resid 52 and name hb1 ) (resid 52 and name hd1 ) 1.8 0 3.2  {W,  1.75,8.13e+05,1}
assign (resid 56 and name hg2 ) (resid 53 and name ha  ) 1.8 0 3.2  {W,  2.55,1.99e+05,1}
assign (resid 53 and name hg2 ) (resid 53 and name ha  ) 1.8 0 3.2  {W,  2.28,5.40e+05,1}
assign (resid 55 and name hg1 ) (resid 53 and name ha  ) 1.8 0 3.7  {W,  2.16,5.45e+05,1}
assign (resid 53 and name hg1 ) (resid 53 and name ha  ) 1.8 0 3.2  {W,  2.05,6.27e+05,-1}
assign (resid 56 and name hb* ) (resid 53 and name ha  ) 1.8 0 4.2  {W,  2.05,6.27e+05,-1}
assign (resid 57 and name hb* ) (resid 53 and name ha  ) 1.8 0 4.7  {W,  2.05,6.27e+05,-1}
assign (resid 54 and name hd2*) (resid 53 and name ha  ) 1.8 0 4.2  {W,  0.66,4.25e+05,1}
assign (resid 53 and name ha  ) (resid 53 and name hg2 ) 1.8 0 3.2  {W,  3.96,1.53e+05,1}
assign (resid 42 and name hg* ) (resid 53 and name hg2 ) 1.8 0 4.2  {W,  2.65,1.94e+05,-1}
assign (resid 41 and name hg2 ) (resid 53 and name hg2 ) 1.8 0 3.2  {W,  2.38,1.90e+06,0}
assign (resid 56 and name hb* ) (resid 53 and name hg2 ) 1.8 0 4.2  {W,  2.10,4.19e+05,1}
assign (resid 40 and name hb  ) (resid 53 and name hg2 ) 1.8 0 3.7  {W,  1.64,5.03e+05,0}
assign (resid 40 and name hb  ) (resid 53 and name hg1 ) 1.8 0 3.2  {W,  1.60,4.61e+05,-1}
assign (resid 50 and name hb  ) (resid 53 and name hg1 ) 1.8 0 3.2  {W,  1.34,6.51e+05,0}
assign (resid 54 and name hd2*) (resid 53 and name hg1 ) 1.8 0 4.2  {W,  0.62,3.04e+05,0}
assign (resid 57 and name hg1 ) (resid 54 and name ha  ) 1.8 0 3.2  {W,  2.28,2.46e+05,-1}
assign (resid 55 and name hg1 ) (resid 54 and name ha  ) 1.8 0 3.2  {W,  2.16,2.99e+05,1}
assign (resid 57 and name hb* ) (resid 54 and name ha  ) 1.8 0 4.2  {W,  2.07,3.74e+05,-1}
assign (resid 53 and name hb* ) (resid 54 and name ha  ) 1.8 0 4.2  {W,  1.93,2.85e+05,0}
assign (resid 54 and name hd1*) (resid 54 and name ha  ) 1.8 0 4.2  {W,  0.66,1.06e+06,1}
assign (resid 54 and name hd2*) (resid 54 and name ha  ) 1.8 0 4.2  {W,  0.66,1.06e+06,1}
assign (resid 51 and name hg1*) (resid 54 and name hb1 ) 1.8 0 4.7  {W,  0.88,2.49e+05,-1}
assign (resid 54 and name hd1*) (resid 54 and name hb1 ) 1.8 0 4.2  {W,  0.66,4.06e+05,1}
assign (resid 54 and name ha  ) (resid 54 and name hg  ) 1.8 0 3.2  {W,  3.98,2.87e+05,1}
assign (resid 63 and name hg1 ) (resid 54 and name hg  ) 1.8 0 3.2  {W,  2.34,2.55e+05,-1}
assign (resid 55 and name hg1 ) (resid 54 and name hg  ) 1.8 0 4.7  {W,  2.18,3.81e+05,-1}
assign (resid 50 and name hg2*) (resid 54 and name hg  ) 1.8 0 4.2  {W,  0.54,1.19e+05,1}
assign (resid 54 and name ha  ) (resid 54 and name hd2*) 1.8 0 4.2  {W,  4.00,5.27e+05,1}
assign (resid 54 and name hb2 ) (resid 54 and name hd2*) 1.8 0 4.2  {W,  1.79,1.31e+06,1}
assign (resid 50 and name hb  ) (resid 54 and name hd2*) 1.8 0 4.2  {W,  1.40,3.07e+05,0}
assign (resid 54 and name hb1 ) (resid 54 and name hd2*) 1.8 0 4.2  {W,  1.26,5.51e+05,1}
assign (resid 50 and name hg2*) (resid 54 and name hd2*) 1.8 0 5.2  {W,  0.54,1.15e+06,-1}
assign (resid 54 and name ha  ) (resid 54 and name hd1*) 1.8 0 4.2  {W,  3.98,3.50e+05,1}
assign (resid 54 and name hb2 ) (resid 54 and name hd1*) 1.8 0 4.2  {W,  1.79,7.75e+05,1}
assign (resid 54 and name hb2 ) (resid 54 and name hd1*) 1.8 0 4.2  {W,  1.79,7.75e+05,1}
assign (resid 54 and name hb1 ) (resid 54 and name hd1*) 1.8 0 4.2  {W,  1.26,3.19e+05,1}
assign (resid 50 and name hg2*) (resid 54 and name hd1*) 1.8 0 5.2  {W,  0.55,5.30e+05,0}
assign (resid 55 and name hg2 ) (resid 55 and name ha  ) 1.8 0 3.2  {W,  2.75,3.15e+05,1}
assign (resid 55 and name hg1 ) (resid 55 and name ha  ) 1.8 0 3.2  {W,  2.20,5.23e+05,1}
assign (resid 58 and name hb  ) (resid 55 and name ha  ) 1.8 0 3.2  {W,  1.87,5.87e+05,-1}
assign (resid 61 and name ha  ) (resid 55 and name hg2 ) 1.8 0 4.2  {W,  4.80,1.20e+05,-1}
assign (resid 55 and name ha  ) (resid 55 and name hg2 ) 1.8 0 3.2  {W,  3.98,3.02e+05,1}
assign (resid 55 and name ha  ) (resid 55 and name hg1 ) 1.8 0 3.2  {W,  3.98,3.33e+05,1}
assign (resid 52 and name hb2 ) (resid 55 and name hg1 ) 1.8 0 3.2  {W,  1.87,4.16e+05,1}
assign (resid 56 and name ha  ) (resid 56 and name hg2 ) 1.8 0 3.2  {W,  3.94,1.44e+05,0}
assign (resid 53 and name hg1 ) (resid 56 and name hg1 ) 1.8 0 4.2  {W,  1.99,1.81e+06,1}
assign (resid 57 and name hg1 ) (resid 57 and name ha  ) 1.8 0 3.2  {W,  2.26,3.20e+05,-1}
assign (resid 56 and name hb* ) (resid 57 and name ha  ) 1.8 0 4.2  {W,  2.14,7.93e+05,-1}
assign (resid 96 and name ha2 ) (resid 57 and name hb* ) 1.8 0 4.2  {W,  4.23,4.87e+05,-1}
assign (resid 57 and name ha  ) (resid 57 and name hg2 ) 1.8 0 3.2  {W,  4.27,1.10e+05,-1}
assign (resid 56 and name hg2 ) (resid 57 and name hg1 ) 1.8 0 3.2  {W,  2.54,1.39e+06,1}
assign (resid 59 and name ha1 ) (resid 58 and name hb  ) 1.8 0 3.2  {W,  3.80,1.49e+05,-1}
assign (resid 57 and name hb* ) (resid 58 and name hb  ) 1.8 0 4.2  {W,  2.11,5.16e+05,-1}
assign (resid 94 and name hd2 ) (resid 58 and name hg1*) 1.8 0 4.2  {W,  4.04,4.32e+05,0}
assign (resid 93 and name hb2 ) (resid 58 and name hg1*) 1.8 0 4.2  {W,  2.07,3.18e+05,-1}
assign (resid 60 and name hg11) (resid 58 and name hg1*) 1.8 0 4.2  {W,  0.41,2.16e+05,1}
assign (resid 58 and name ha  ) (resid 58 and name hg2*) 1.8 0 4.2  {W,  4.64,2.27e+05,-1}
assign (resid 59 and name ha1 ) (resid 58 and name hg2*) 1.8 0 4.7  {W,  3.77,2.72e+05,-1}
assign (resid 57 and name hg1 ) (resid 58 and name hg2*) 1.8 0 4.2  {W,  2.29,3.42e+05,0}
assign (resid 94 and name hg2 ) (resid 58 and name hg2*) 1.8 0 4.2  {W,  1.50,3.12e+05,0}
assign (resid 55 and name ha  ) (resid 59 and name ha2 ) 1.8 0 3.2  {W,  3.96,4.72e+05,-1}
assign (resid 60 and name hg2*) (resid 60 and name ha  ) 1.8 0 4.2  {W,  0.29,1.59e+05,1}
assign (resid 90 and name hd1 ) (resid 60 and name hb  ) 1.8 0 3.2  {W,  6.97,1.68e+05,0}
assign (resid 90 and name hb1 ) (resid 60 and name hb  ) 1.8 0 3.7  {W,  2.77,1.49e+05,-1}
assign (resid 91 and name hb2 ) (resid 60 and name hb  ) 1.8 0 3.2  {W,  2.15,1.78e+05,-1}
assign (resid 63 and name hg2 ) (resid 60 and name hg12) 1.8 0 4.7  {W,  2.38,5.64e+05,-1}
assign (resid 94 and name hg2 ) (resid 60 and name hg12) 1.8 0 4.7  {W,  1.56,8.61e+05,0}
assign (resid 60 and name ha  ) (resid 60 and name hg2*) 1.8 0 4.2  {W,  5.19,2.89e+05,1}
assign (resid 58 and name hg1*) (resid 60 and name hg2*) 1.8 0 5.2  {W,  0.70,4.63e+05,-1}
assign (resid 58 and name hg1*) (resid 60 and name hg11) 1.8 0 4.2  {W,  0.70,2.78e+05,1}
assign (resid 62 and name hd1 ) (resid 61 and name ha  ) 1.8 0 3.2  {W,  3.78,5.38e+05,1}
assign (resid 61 and name hg2*) (resid 61 and name ha  ) 1.8 0 4.2  {W,  1.15,6.62e+05,1}
assign (resid 91 and name hg* ) (resid 61 and name hb  ) 1.8 0 4.2  {W,  2.28,2.30e+05,-1}
assign (resid 91 and name hb2 ) (resid 61 and name hb  ) 1.8 0 3.2  {W,  2.09,4.87e+05,-1}
assign (resid 91 and name hb1 ) (resid 61 and name hb  ) 1.8 0 3.2  {W,  1.99,3.95e+05,-1}
assign (resid 61 and name ha  ) (resid 61 and name hg2*) 1.8 0 4.2  {W,  4.80,6.04e+05,1}
assign (resid 90 and name ha  ) (resid 62 and name ha  ) 1.8 0 3.2  {W,  5.15,4.26e+05,1}
assign (resid 64 and name hb2 ) (resid 62 and name ha  ) 1.8 0 3.7  {W,  3.20,3.20e+05,-1}
assign (resid 89 and name ha  ) (resid 62 and name hb2 ) 1.8 0 3.2  {W,  4.47,1.32e+05,1}
assign (resid 89 and name hg* ) (resid 62 and name hb2 ) 1.8 0 4.2  {W,  1.57,3.54e+05,0}
assign (resid 61 and name hg2*) (resid 62 and name hb1 ) 1.8 0 4.2  {W,  1.19,1.58e+05,-1}
assign (resid 89 and name hd* ) (resid 62 and name hg2 ) 1.8 0 4.2  {W,  3.09,2.04e+05,0}
assign (resid 91 and name hg* ) (resid 62 and name hg2 ) 1.8 0 4.2  {W,  2.32,1.15e+05,-1}
assign (resid 89 and name hg* ) (resid 62 and name hg2 ) 1.8 0 4.2  {W,  1.58,1.21e+05,0}
assign (resid 61 and name ha  ) (resid 62 and name hd2 ) 1.8 0 3.2  {W,  4.80,1.19e+05,1}
assign (resid 61 and name hb  ) (resid 62 and name hd2 ) 1.8 0 3.2  {W,  4.10,9.67e+05,1}
assign (resid 89 and name hd* ) (resid 62 and name hd2 ) 1.8 0 4.2  {W,  3.12,1.20e+05,0}
assign (resid 91 and name hg* ) (resid 62 and name hd2 ) 1.8 0 4.2  {W,  2.26,1.40e+05,-1}
assign (resid 61 and name ha  ) (resid 62 and name hd1 ) 1.8 0 3.2  {W,  4.80,3.98e+05,1}
assign (resid 89 and name hd* ) (resid 62 and name hd1 ) 1.8 0 4.2  {W,  3.10,2.07e+05,0}
assign (resid 61 and name hg2*) (resid 62 and name hd1 ) 1.8 0 4.2  {W,  1.15,1.38e+05,-1}
assign (resid 54 and name hg  ) (resid 63 and name hb2 ) 1.8 0 3.2  {W,  1.81,1.09e+06,-1}
assign (resid 54 and name hg  ) (resid 63 and name hb1 ) 1.8 0 3.7  {W,  1.85,1.23e+05,-1}
assign (resid 60 and name hg11) (resid 63 and name hb1 ) 1.8 0 3.2  {W,  0.44,1.43e+05,-1}
assign (resid 11 and name hg2*) (resid 63 and name hb1 ) 1.8 0 4.2  {W, -0.14,2.14e+05,1}
assign (resid 90 and name ha  ) (resid 63 and name hg2 ) 1.8 0 3.2  {W,  5.16,1.22e+05,1}
assign (resid 63 and name ha  ) (resid 63 and name hg2 ) 1.8 0 3.2  {W,  4.72,2.12e+05,0}
assign (resid 63 and name ha  ) (resid 63 and name hg1 ) 1.8 0 3.2  {W,  4.72,2.47e+05,0}
assign (resid 62 and name hb2 ) (resid 64 and name hb2 ) 1.8 0 3.2  {W,  1.83,1.20e+05,-1}
assign (resid 89 and name hg* ) (resid 64 and name hb2 ) 1.8 0 4.2  {W,  1.64,1.05e+05,1}
assign (resid 87 and name ha  ) (resid 65 and name ha  ) 1.8 0 3.2  {W,  4.68,6.00e+05,1}
assign (resid 54 and name hg  ) (resid 65 and name hb1 ) 1.8 0 3.2  {W,  1.77,1.66e+06,0}
assign (resid 63 and name hb1 ) (resid 65 and name hb1 ) 1.8 0 4.7  {W,  1.60,1.81e+06,-1}
assign (resid 67 and name hd1*) (resid 67 and name ha  ) 1.8 0 4.2  {W,  0.23,7.60e+05,1}
assign (resid 46 and name hb2 ) (resid 67 and name hg  ) 1.8 0 3.7  {W,  1.60,7.76e+05,-1}
assign (resid 67 and name ha  ) (resid 67 and name hd1*) 1.8 0 4.2  {W,  3.65,4.10e+05,1}
assign (resid 67 and name hb2 ) (resid 67 and name hd2*) 1.8 0 4.2  {W,  1.73,7.00e+05,1}
assign (resid 68 and name hd* ) (resid 68 and name ha  ) 1.8 0 4.2  {W,  7.06,4.91e+05,0}
assign (resid 68 and name hd* ) (resid 68 and name hb2 ) 1.8 0 4.2  {W,  7.06,2.38e+05,0}
assign (resid 68 and name hd* ) (resid 68 and name hb1 ) 1.8 0 4.2  {W,  7.05,2.42e+05,0}
assign (resid 67 and name hb2 ) (resid 69 and name ha  ) 1.8 0 4.2  {W,  1.73,5.79e+05,-1}
assign (resid 70 and name hb2 ) (resid 69 and name ha  ) 1.8 0 3.7  {W,  1.42,3.49e+05,0}
assign (resid 83 and name ha  ) (resid 70 and name ha  ) 1.8 0 3.2  {W,  4.57,5.10e+05,1}
assign (resid 70 and name he2 ) (resid 70 and name ha  ) 1.8 0 3.2  {W,  2.18,4.80e+05,-1}
assign (resid 71 and name hd1*) (resid 70 and name ha  ) 1.8 0 4.2  {W,  0.87,4.21e+05,-1}
assign (resid 70 and name hd* ) (resid 70 and name ha  ) 1.8 0 4.2  {W,  0.68,4.48e+05,-1}
assign (resid 70 and name hg2 ) (resid 70 and name ha  ) 1.8 0 3.2  {W,  0.32,1.34e+05,-1}
assign (resid 70 and name hg1 ) (resid 70 and name ha  ) 1.8 0 3.2  {W,  0.05,1.67e+05,-1}
assign (resid 70 and name hd* ) (resid 70 and name hb2 ) 1.8 0 4.2  {W,  0.68,2.79e+05,1}
assign (resid 70 and name hd* ) (resid 70 and name hb1 ) 1.8 0 4.2  {W,  0.68,3.58e+05,-1}
assign (resid 70 and name hb2 ) (resid 70 and name hd* ) 1.8 0 4.2  {W,  1.42,3.26e+05,1}
assign (resid 71 and name hd1*) (resid 71 and name ha  ) 1.8 0 4.2  {W,  0.87,1.05e+06,1}
assign (resid 71 and name hd2*) (resid 71 and name hb2 ) 1.8 0 4.2  {W,  1.07,5.35e+05,1}
assign (resid 71 and name hd2*) (resid 71 and name hb1 ) 1.8 0 4.2  {W,  1.09,3.64e+05,-1}
assign (resid 71 and name hd1*) (resid 71 and name hb1 ) 1.8 0 4.2  {W,  0.87,2.49e+05,1}
assign (resid 121 and name hg* ) (resid 71 and name hg  ) 1.8 0 4.2  {W, 2.12,3.89e+05,1}
assign (resid 70 and name hb2 ) (resid 71 and name hg  ) 1.8 0 3.2  {W,  1.42,1.05e+06,0}
assign (resid 84 and name hz  ) (resid 71 and name hd2*) 1.8 0 4.2  {W,  7.30,3.61e+05,0}
assign (resid 73 and name he* ) (resid 71 and name hd2*) 1.8 0 5.2  {W,  6.75,2.18e+05,0}
assign (resid 121 and name hg* ) (resid 71 and name hd2*) 1.8 0 5.2  {W,  2.09,3.03e+05,1}
assign (resid 71 and name hb2 ) (resid 71 and name hd2*) 1.8 0 4.2  {W,  1.77,1.03e+06,1}
assign (resid 122 and name hg1*) (resid 71 and name hd2*) 1.8 0 5.2  {W, -0.16,3.38e+05,-1}
assign (resid 71 and name ha  ) (resid 71 and name hd1*) 1.8 0 4.2  {W,  4.78,9.16e+05,1}
assign (resid 121 and name hg* ) (resid 71 and name hd1*) 1.8 0 5.2  {W,  2.07,3.54e+05,-1}
assign (resid 80 and name hb  ) (resid 71 and name hd1*) 1.8 0 4.2  {W,  1.83,5.90e+05,1}
assign (resid 71 and name hb1 ) (resid 71 and name hd1*) 1.8 0 4.2  {W,  1.48,5.39e+05,1}
assign (resid 70 and name hb2 ) (resid 71 and name hd1*) 1.8 0 4.2  {W,  1.48,5.39e+05,-1}
assign (resid 71 and name hb1 ) (resid 71 and name hd1*) 1.8 0 4.2  {W,  1.48,5.39e+05,1}
assign (resid 82 and name hg  ) (resid 71 and name hd1*) 1.8 0 4.2  {W,  1.48,5.39e+05,-1}
assign (resid 82 and name hb1 ) (resid 71 and name hd1*) 1.8 0 4.2  {W,  1.07,1.68e+06,-1}
assign (resid 72 and name hg2 ) (resid 72 and name ha  ) 1.8 0 3.2  {W,  2.18,3.12e+05,-1}
assign (resid 72 and name hg1 ) (resid 72 and name ha  ) 1.8 0 3.2  {W,  2.07,3.40e+05,1}
assign (resid 81 and name hg2*) (resid 72 and name ha  ) 1.8 0 4.2  {W,  0.68,4.45e+05,-1}
assign (resid 72 and name ha  ) (resid 72 and name hg1 ) 1.8 0 3.2  {W,  5.23,2.77e+05,1}
assign (resid 73 and name hd* ) (resid 73 and name ha  ) 1.8 0 4.2  {W,  6.91,2.88e+05,0}
assign (resid 119 and name ha  ) (resid 73 and name hb2 ) 1.8 0 3.2  {W,  4.58,3.85e+05,1}
assign (resid 74 and name ha  ) (resid 73 and name hb1 ) 1.8 0 3.2  {W,  4.62,2.77e+05,1}
assign (resid 79 and name ha  ) (resid 74 and name ha  ) 1.8 0 1.5  {M,  5.27,8.66e+05,1}
assign (resid 73 and name hb1 ) (resid 74 and name ha  ) 1.8 0 3.2  {W,  2.59,4.98e+05,1}
assign (resid 72 and name hg2 ) (resid 74 and name hg1 ) 1.8 0 3.2  {W,  2.23,7.85e+05,0}
assign (resid 76 and name hd2 ) (resid 75 and name ha  ) 1.8 0 3.2  {W,  4.10,2.50e+05,1}
assign (resid 76 and name hd1 ) (resid 75 and name ha  ) 1.8 0 3.2  {W,  3.98,1.32e+05,1}
assign (resid 76 and name hg2 ) (resid 76 and name ha  ) 1.8 0 3.2  {W,  2.26,1.98e+05,1}
assign (resid 76 and name hg1 ) (resid 76 and name ha  ) 1.8 0 3.2  {W,  2.12,4.35e+05,1}
assign (resid 76 and name ha  ) (resid 76 and name hg2 ) 1.8 0 3.2  {W,  4.37,2.53e+05,1}
assign (resid 76 and name ha  ) (resid 76 and name hg1 ) 1.8 0 3.2  {W,  4.35,2.56e+05,1}
assign (resid 75 and name ha  ) (resid 76 and name hd2 ) 1.8 0 3.2  {W,  5.07,5.04e+05,1}
assign (resid 75 and name ha  ) (resid 76 and name hd1 ) 1.8 0 3.2  {W,  5.07,3.49e+05,1}
assign (resid 76 and name hb2 ) (resid 78 and name hb2 ) 1.8 0 3.7  {W,  2.47,3.19e+05,-1}
assign (resid 76 and name hg2 ) (resid 78 and name hb2 ) 1.8 0 3.2  {W,  2.24,6.83e+05,-1}
assign (resid 78 and name hb1 ) (resid 78 and name hd2 ) 1.8 0 3.2  {W,  1.63,8.17e+05,-1}
assign (resid 78 and name hb1 ) (resid 78 and name hd1 ) 1.8 0 3.2  {W,  1.60,3.94e+05,-1}
assign (resid 74 and name ha  ) (resid 79 and name ha  ) 1.8 0 1.5  {W,  4.64,4.74e+05,1}
assign (resid 3 and name ha  ) (resid 79 and name hb* ) 1.8 0 4.2  {W,  5.29,3.82e+05,-1}
assign (resid 79 and name hb* ) (resid 80 and name ha  ) 1.8 0 4.2  {W,  3.16,1.07e+06,1}
assign (resid 80 and name ha  ) (resid 80 and name hg2*) 1.8 0 4.2  {W,  5.25,4.82e+05,-1}
assign (resid 5 and name hg1 ) (resid 80 and name hg2*) 1.8 0 4.2  {W,  2.37,2.97e+05,0}
assign (resid 82 and name hg  ) (resid 80 and name hg2*) 1.8 0 4.2  {W,  1.46,5.54e+05,-1}
assign (resid 82 and name hd1*) (resid 80 and name hg2*) 1.8 0 5.2  {W,  0.66,2.69e+05,-1}
assign (resid 78 and name hg1 ) (resid 80 and name hg12) 1.8 0 3.2  {W,  1.46,2.76e+05,-1}
assign (resid 6 and name hg11) (resid 80 and name hg11) 1.8 0 3.7  {W,  1.06,5.38e+05,0}
assign (resid 72 and name ha  ) (resid 81 and name ha  ) 1.8 0 1.5  {W,  5.24,3.02e+05,-1}
assign (resid 81 and name hg2*) (resid 81 and name ha  ) 1.8 0 4.2  {W,  0.68,3.73e+05,1}
assign (resid 5 and name hg1 ) (resid 81 and name hb  ) 1.8 0 3.2  {W,  2.38,3.23e+05,1}
assign (resid 72 and name hg1 ) (resid 81 and name hb  ) 1.8 0 3.2  {W,  2.09,3.54e+05,-1}
assign (resid 72 and name hg1 ) (resid 81 and name hb  ) 1.8 0 3.2  {W,  2.02,2.56e+05,0}
assign (resid 81 and name ha  ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  5.05,3.02e+05,1}
assign (resid 5 and name hb1 ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  2.18,4.42e+05,1}
assign (resid 72 and name hg2 ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  2.18,4.42e+05,-1}
assign (resid 5 and name hb1 ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  2.18,4.42e+05,1}
assign (resid 72 and name hg2 ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  2.18,4.42e+05,-1}
assign (resid 5 and name hb1 ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  2.18,4.42e+05,1}
assign (resid 72 and name hg2 ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  2.18,4.42e+05,-1}
assign (resid 72 and name hg1 ) (resid 81 and name hg2*) 1.8 0 4.2  {W,  2.07,4.21e+05,-1}
assign (resid 70 and name hb2 ) (resid 82 and name hb1 ) 1.8 0 3.2  {W,  1.42,2.87e+05,0}
assign (resid 84 and name he* ) (resid 82 and name hd2*) 1.8 0 5.2  {W,  7.30,3.24e+05,0}
assign (resid 82 and name hb2 ) (resid 82 and name hd2*) 1.8 0 4.2  {W,  1.77,8.66e+05,1}
assign (resid 8 and name hb  ) (resid 82 and name hd2*) 1.8 0 4.2  {W,  1.60,7.76e+05,-1}
assign (resid 8 and name hg2*) (resid 82 and name hd2*) 1.8 0 5.2  {W,  0.87,1.51e+06,-1}
assign (resid 82 and name hb2 ) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.77,2.98e+05,-1}
assign (resid 6 and name hb  ) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.67,4.53e+05,-1}
assign (resid 6 and name hg12) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.23,3.32e+05,-1}
assign (resid 6 and name hg11) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.07,8.26e+05,1}
assign (resid 82 and name hb1 ) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.07,8.26e+05,-1}
assign (resid 6 and name hg11) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.07,8.26e+05,1}
assign (resid 82 and name hb1 ) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.07,8.26e+05,-1}
assign (resid 6 and name hg11) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.07,8.26e+05,1}
assign (resid 82 and name hb1 ) (resid 82 and name hd1*) 1.8 0 4.2  {W,  1.07,8.26e+05,-1}
assign (resid 6 and name hg2*) (resid 82 and name hd1*) 1.8 0 5.2  {W,  0.50,2.87e+05,0}
assign (resid 8 and name hg1*) (resid 82 and name hd1*) 1.8 0 5.2  {W,  0.38,5.66e+05,1}
assign (resid 70 and name ha  ) (resid 83 and name ha  ) 1.8 0 3.2  {W,  5.25,2.51e+05,1}
assign (resid 67 and name hd1*) (resid 83 and name ha  ) 1.8 0 4.2  {W,  0.23,2.27e+05,-1}
assign (resid 84 and name hd* ) (resid 84 and name hb1 ) 1.8 0 4.2  {W,  6.89,2.56e+05,0}
assign (resid 86 and name hd2*) (resid 86 and name hb2 ) 1.8 0 4.2  {W,  0.86,4.16e+05,1}
assign (resid 10 and name hb  ) (resid 86 and name hg  ) 1.8 0 3.2  {W,  1.83,4.12e+05,0}
assign (resid 86 and name hb2 ) (resid 86 and name hd1*) 1.8 0 4.2  {W,  2.30,2.96e+05,-1}
assign (resid 12 and name hb2 ) (resid 86 and name hd1*) 1.8 0 4.2  {W,  2.05,3.51e+05,1}
assign (resid 10 and name hb  ) (resid 86 and name hd1*) 1.8 0 4.2  {W,  1.79,2.80e+05,0}
assign (resid 12 and name hb1 ) (resid 86 and name hd1*) 1.8 0 4.2  {W,  1.34,2.90e+05,-1}
assign (resid 86 and name hb1 ) (resid 86 and name hd1*) 1.8 0 4.2  {W,  1.11,5.11e+05,-1}
assign (resid 18 and name hg2*) (resid 86 and name hd1*) 1.8 0 5.2  {W,  0.99,2.59e+05,-1}
assign (resid 86 and name hb2 ) (resid 86 and name hd2*) 1.8 0 4.2  {W,  2.28,7.77e+05,1}
assign (resid 86 and name hb1 ) (resid 86 and name hd2*) 1.8 0 4.2  {W,  1.11,8.49e+05,-1}
assign (resid 10 and name hg12) (resid 86 and name hd2*) 1.8 0 4.2  {W,  1.11,8.49e+05,-1}
assign (resid 86 and name hb1 ) (resid 86 and name hd2*) 1.8 0 4.2  {W,  1.11,8.49e+05,-1}
assign (resid 65 and name ha  ) (resid 87 and name ha  ) 1.8 0 3.2  {W,  5.95,2.58e+05,1}
assign (resid 66 and name hb1 ) (resid 87 and name ha  ) 1.8 0 3.2  {W,  3.88,7.34e+05,0}
assign (resid 65 and name hb2 ) (resid 87 and name ha  ) 1.8 0 3.2  {W,  3.34,2.07e+05,-1}
assign (resid 65 and name hb1 ) (resid 87 and name ha  ) 1.8 0 3.2  {W,  3.02,2.00e+05,-1}
assign (resid 87 and name hg2*) (resid 87 and name ha  ) 1.8 0 4.2  {W,  1.21,2.71e+05,1}
assign (resid 87 and name hg1*) (resid 87 and name ha  ) 1.8 0 4.2  {W,  0.76,2.77e+05,1}
assign (resid 90 and name he3 ) (resid 87 and name hg2*) 1.8 0 4.2  {W,  7.03,7.17e+05,0}
assign (resid 87 and name ha  ) (resid 87 and name hg2*) 1.8 0 4.2  {W,  4.68,3.18e+05,1}
assign (resid 11 and name ha  ) (resid 87 and name hg2*) 1.8 0 4.2  {W,  4.33,2.71e+05,-1}
assign (resid 89 and name hb* ) (resid 87 and name hg2*) 1.8 0 5.2  {W,  1.87,4.94e+05,-1}
assign (resid 11 and name hb  ) (resid 87 and name hg2*) 1.8 0 4.2  {W,  1.64,2.25e+05,-1}
assign (resid 11 and name hg12) (resid 87 and name hg2*) 1.8 0 4.2  {W,  1.44,2.46e+05,1}
assign (resid 87 and name ha  ) (resid 87 and name hg1*) 1.8 0 4.2  {W,  4.68,3.68e+05,1}
assign (resid 65 and name hb2 ) (resid 87 and name hg1*) 1.8 0 4.2  {W,  3.34,2.79e+05,-1}
assign (resid 9 and name ha2 ) (resid 87 and name hg1*) 1.8 0 4.2  {W,  3.12,2.39e+05,-1}
assign (resid 65 and name hb1 ) (resid 87 and name hg1*) 1.8 0 4.2  {W,  3.04,2.63e+05,-1}
assign (resid 63 and name hb1 ) (resid 87 and name hg1*) 1.8 0 4.2  {W,  1.64,2.34e+05,-1}
assign (resid 86 and name hd1*) (resid 87 and name hg1*) 1.8 0 5.2  {W,  0.66,9.83e+05,-1}
assign (resid 63 and name hg1 ) (resid 87 and name hb  ) 1.8 0 3.2  {W,  2.30,7.55e+05,-1}
assign (resid 63 and name hb1 ) (resid 87 and name hb  ) 1.8 0 3.2  {W,  1.60,2.81e+05,-1}
assign (resid 88 and name hg* ) (resid 88 and name ha  ) 1.8 0 4.2  {W,  2.30,6.43e+05,1}
assign (resid 89 and name hb* ) (resid 88 and name hb1 ) 1.8 0 4.2  {W,  1.87,1.23e+06,-1}
assign (resid 88 and name ha  ) (resid 88 and name hg* ) 1.8 0 4.2  {W,  5.31,3.43e+05,1}
assign (resid 86 and name hg  ) (resid 88 and name hg* ) 1.8 0 4.2  {W,  1.46,2.44e+05,0}
assign (resid 89 and name hg* ) (resid 89 and name ha  ) 1.8 0 4.2  {W,  1.62,5.23e+05,1}
assign (resid 89 and name ha  ) (resid 89 and name hg* ) 1.8 0 4.2  {W,  4.47,3.47e+05,1}
assign (resid 64 and name hb2 ) (resid 89 and name hg* ) 1.8 0 4.2  {W,  3.18,2.50e+05,1}
assign (resid 87 and name hb  ) (resid 89 and name hg* ) 1.8 0 4.2  {W,  2.14,8.07e+05,1}
assign (resid 89 and name ha  ) (resid 89 and name hd* ) 1.8 0 4.2  {W,  4.51,2.53e+05,-1}
assign (resid 89 and name ha  ) (resid 89 and name hd* ) 1.8 0 4.2  {W,  4.45,2.96e+05,-1}
assign (resid 62 and name ha  ) (resid 90 and name ha  ) 1.8 0 3.2  {W,  4.33,3.94e+05,1}
assign (resid 63 and name hg2 ) (resid 90 and name ha  ) 1.8 0 3.2  {W,  2.40,2.40e+05,1}
assign (resid 60 and name hb  ) (resid 90 and name ha  ) 1.8 0 3.2  {W,  1.66,2.70e+05,1}
assign (resid 62 and name hb1 ) (resid 90 and name ha  ) 1.8 0 3.2  {W,  1.66,2.70e+05,-1}
assign (resid 63 and name hb1 ) (resid 90 and name ha  ) 1.8 0 3.2  {W,  1.66,2.70e+05,-1}
assign (resid 89 and name hg* ) (resid 90 and name ha  ) 1.8 0 4.2  {W,  1.66,2.70e+05,-1}
assign (resid 87 and name hg2*) (resid 90 and name ha  ) 1.8 0 4.2  {W,  1.21,2.08e+05,-1}
assign (resid 62 and name hb2 ) (resid 90 and name hb2 ) 1.8 0 3.2  {W,  1.83,1.67e+05,-1}
assign (resid 91 and name hg* ) (resid 91 and name ha  ) 1.8 0 4.2  {W,  2.28,7.48e+05,1}
assign (resid 62 and name hg2 ) (resid 91 and name hb2 ) 1.8 0 3.2  {W,  1.81,3.30e+05,-1}
assign (resid 62 and name hg2 ) (resid 91 and name hb1 ) 1.8 0 3.2  {W,  1.81,5.92e+05,-1}
assign (resid 62 and name hb1 ) (resid 91 and name hb1 ) 1.8 0 3.2  {W,  1.65,5.67e+05,-1}
assign (resid 91 and name ha  ) (resid 91 and name hg* ) 1.8 0 4.2  {W,  4.74,3.18e+05,1}
assign (resid 94 and name hd1 ) (resid 93 and name ha  ) 1.8 0 3.2  {W,  3.71,5.73e+05,0}
assign (resid 94 and name ha  ) (resid 93 and name hb2 ) 1.8 0 3.2  {W,  4.23,4.87e+05,0}
assign (resid 91 and name hg* ) (resid 93 and name hb1 ) 1.8 0 4.7  {W,  2.24,1.51e+06,0}
assign (resid 19 and name he* ) (resid 95 and name ha  ) 1.8 0 4.2  {W,  6.64,4.54e+05,0}
assign (resid 36 and name hb1 ) (resid 97 and name ha  ) 1.8 0 3.2  {W,  1.73,7.20e+05,-1}
assign (resid 36 and name hb2 ) (resid 97 and name hd* ) 1.8 0 4.2  {W,  2.20,2.06e+05,-1}
assign (resid 98 and name hb* ) (resid 97 and name hd* ) 1.8 0 5.2  {W,  2.05,2.40e+05,1}
assign (resid 97 and name hb2 ) (resid 97 and name hd* ) 1.8 0 2.5  {M,  1.85,2.99e+06,0}
assign (resid 94 and name hg2 ) (resid 97 and name hd* ) 1.8 0 4.2  {W,  1.52,1.84e+06,0}
assign (resid 38 and name ha* ) (resid 98 and name ha  ) 1.8 0 4.2  {W,  4.12,7.13e+05,0}
assign (resid 36 and name hb2 ) (resid 98 and name hb* ) 1.8 0 4.2  {W,  2.24,6.91e+05,0}
assign (resid 97 and name hd* ) (resid 98 and name hb* ) 1.8 0 5.2  {W,  1.60,7.33e+05,1}
assign (resid 100 and name hb* ) (resid 98 and name hg* ) 1.8 0 5.2  {W,  1.99,1.38e+06,0}
assign (resid 100 and name ha  ) (resid 99 and name ha1 ) 1.8 0 3.2  {W, 4.76,2.97e+05,1}
assign (resid 101 and name hd1 ) (resid 100 and name ha  ) 1.8 0 3.2  {W,  3.70,1.05e+06,1}
assign (resid 100 and name hg* ) (resid 100 and name ha  ) 1.8 0 4.2  {W,  2.32,2.93e+05,1}
assign (resid 97 and name hb2 ) (resid 100 and name ha  ) 1.8 0 3.2  {W,  1.77,3.70e+05,0}
assign (resid 98 and name ha  ) (resid 100 and name hb* ) 1.8 0 4.7  {W,  4.27,2.83e+05,-1}
assign (resid 36 and name hb1 ) (resid 100 and name hb* ) 1.8 0 4.2  {W,  1.73,2.64e+05,-1}
assign (resid 100 and name ha  ) (resid 100 and name hg* ) 1.8 0 4.2  {W,  4.78,2.33e+05,1}
assign (resid 101 and name hg* ) (resid 101 and name ha  ) 1.8 0 4.2  {W,  1.99,3.91e+05,-1}
assign (resid 100 and name hg* ) (resid 101 and name hb2 ) 1.8 0 4.2  {W,  2.36,1.31e+06,-1}
assign (resid 103 and name hb* ) (resid 101 and name hb1 ) 1.8 0 4.2  {W,  1.81,2.36e+06,1}
assign (resid 100 and name hg* ) (resid 101 and name hg* ) 1.8 0 5.2  {W,  2.34,2.84e+05,1}
assign (resid 100 and name ha  ) (resid 101 and name hd2 ) 1.8 0 3.2  {W,  4.80,6.27e+05,1}
assign (resid 100 and name ha  ) (resid 101 and name hd1 ) 1.8 0 3.2  {W,  4.80,4.12e+05,1}
assign (resid 21 and name ha  ) (resid 101 and name hd1 ) 1.8 0 3.2  {W,  4.66,8.69e+05,1}
assign (resid 36 and name hd1 ) (resid 102 and name ha2 ) 1.8 0 3.2  {W,  4.04,2.32e+05,-1}
assign (resid 19 and name hz  ) (resid 102 and name ha1 ) 1.8 0 3.2  {W,6.62,3.06e+05,0}
assign (resid 102 and name ha1 ) (resid 103 and name hb* ) 1.8 0 4.2  {W,  3.20,2.66e+05,-1}
assign (resid 104 and name hb* ) (resid 103 and name hb* ) 1.8 0 5.2  {W,  3.06,3.34e+05,-1}
assign (resid 105 and name hb2 ) (resid 103 and name hb* ) 1.8 0 4.2  {W,  2.07,4.39e+05,1}
assign (resid 22 and name hb2 ) (resid 103 and name hb* ) 1.8 0 4.2  {W,  1.62,2.18e+06,-1}
assign (resid 101 and name hb2 ) (resid 103 and name hg2 ) 1.8 0 3.2  {W,  2.22,7.59e+05,1}
assign (resid 105 and name hb2 ) (resid 103 and name hg2 ) 1.8 0 3.2  {W,  2.08,1.33e+06,-1}
assign (resid 105 and name hg* ) (resid 103 and name hg1 ) 1.8 0 4.2  {W,  2.48,3.84e+05,1}
assign (resid 105 and name hb2 ) (resid 103 and name hg1 ) 1.8 0 3.2  {W,  2.08,1.44e+06,1}
assign (resid 19 and name ha  ) (resid 104 and name ha  ) 1.8 0 3.2  {W,  4.15,5.43e+05,1}
assign (resid 106 and name ha  ) (resid 104 and name hb* ) 1.8 0 4.2  {W,  4.51,7.79e+05,-1}
assign (resid 105 and name hg* ) (resid 105 and name ha  ) 1.8 0 4.2  {W,  2.49,6.78e+05,1}
assign (resid 18 and name hg12) (resid 105 and name hb2 ) 1.8 0 3.2  {W,  1.50,3.07e+05,-1}
assign (resid 18 and name hg11) (resid 105 and name hb1 ) 1.8 0 3.2  {W,  1.38,2.97e+05,0}
assign (resid 20 and name hg2*) (resid 105 and name hb1 ) 1.8 0 4.2  {W,  0.89,3.59e+05,1}
assign (resid 107 and name hd* ) (resid 105 and name hb1 ) 1.8 0 4.2  {W,  0.89,3.59e+05,1}
assign (resid 110 and name hd1*) (resid 105 and name hb1 ) 1.8 0 4.2  {W,  0.89,3.59e+05,-1}
assign (resid 105 and name ha  ) (resid 105 and name hg* ) 1.8 0 4.2  {W,  4.94,5.57e+05,1}
assign (resid 105 and name he* ) (resid 105 and name hg* ) 1.8 0 5.2  {W,  1.95,6.24e+05,0}
assign (resid 17 and name ha  ) (resid 106 and name ha  ) 1.8 0 3.2  {W,5.07,5.63e+05,1}
assign (resid 17 and name hb1 ) (resid 106 and name ha  ) 1.8 0 3.2  {W,  1.99,2.62e+05,0}
assign (resid 107 and name hg  ) (resid 107 and name ha  ) 1.8 0 3.2  {W,  1.70,6.26e+05,1}
assign (resid 107 and name hd* ) (resid 107 and name ha  ) 1.8 0 4.2  {W,  0.91,1.10e+06,-1}
assign (resid 107 and name hd* ) (resid 107 and name hb2 ) 1.8 0 4.2  {W,  0.91,7.03e+05,-1}
assign (resid 16 and name hb1 ) (resid 107 and name hb1 ) 1.8 0 3.2  {W,  2.83,4.09e+05,-1}
assign (resid 107 and name hd* ) (resid 107 and name hb1 ) 1.8 0 4.2  {W,  0.91,4.36e+05,-1}
assign (resid 107 and name ha  ) (resid 107 and name hg  ) 1.8 0 3.2  {W,  4.08,2.68e+05,1}
assign (resid 110 and name hg  ) (resid 107 and name hd* ) 1.8 0 4.2  {W,  2.03,3.92e+05,1}
assign (resid 105 and name hb1 ) (resid 107 and name hd* ) 1.8 0 4.2  {W,  1.87,3.94e+05,1}
assign (resid 126 and name hb1 ) (resid 107 and name hd* ) 1.8 0 4.2  {W,  1.48,2.38e+05,0}
assign (resid 33 and name hb1 ) (resid 107 and name hd* ) 1.8 0 4.7  {W, -0.04,2.59e+05,0}
assign (resid 109 and name ha1 ) (resid 108 and name ha  ) 1.8 0 3.2  {W,  3.75,3.46e+05,-1}
assign (resid 108 and name hg1*) (resid 108 and name ha  ) 1.8 0 4.2  {W,  1.03,1.20e+06,1}
assign (resid 108 and name ha  ) (resid 108 and name hg2*) 1.8 0 4.2  {W,  3.86,6.64e+05,1}
assign (resid 107 and name hd* ) (resid 108 and name hg2*) 1.8 0 5.2  {W,  0.94,8.08e+05,-1}
assign (resid 108 and name ha  ) (resid 108 and name hg1*) 1.8 0 4.2  {W,  3.86,5.73e+05,1}
assign (resid 107 and name hd* ) (resid 108 and name hg1*) 1.8 0 5.2  {W,  0.88,9.03e+05,-1}
assign (resid 110 and name hg  ) (resid 110 and name ha  ) 1.8 0 3.2  {W,  1.99,3.17e+05,-1}
assign (resid 107 and name hg  ) (resid 110 and name ha  ) 1.8 0 3.2  {W,  1.71,3.48e+05,-1}
assign (resid 107 and name hb1 ) (resid 110 and name ha  ) 1.8 0 3.2  {W,  1.64,3.66e+05,-1}
assign (resid 126 and name hb1 ) (resid 110 and name ha  ) 1.8 0 3.2  {W,  1.48,4.11e+05,-1}
assign (resid 110 and name hd2*) (resid 110 and name ha  ) 1.8 0 4.2  {W,  0.89,1.09e+06,1}
assign (resid 126 and name ha  ) (resid 110 and name hb2 ) 1.8 0 3.2  {W,  4.10,4.23e+05,1}
assign (resid 12 and name hd2 ) (resid 110 and name hb2 ) 1.8 0 3.2  {W,  3.22,3.04e+05,1}
assign (resid 129 and name hb1 ) (resid 110 and name hb2 ) 1.8 0 3.2  {W,  1.63,2.31e+06,1}
assign (resid 110 and name hd1*) (resid 110 and name hb2 ) 1.8 0 4.2  {W,  0.95,8.61e+05,1}
assign (resid 111 and name hb2 ) (resid 110 and name hb1 ) 1.8 0 3.2  {W,  3.06,1.49e+05,-1}
assign (resid 110 and name hd2*) (resid 110 and name hb1 ) 1.8 0 4.2  {W,  0.91,3.47e+05,1}
assign (resid 110 and name hb2 ) (resid 110 and name hd1*) 1.8 0 4.2  {W,  1.81,5.85e+05,1}
assign (resid 126 and name hb1 ) (resid 110 and name hd1*) 1.8 0 4.2  {W,  1.46,2.24e+05,1}
assign (resid 110 and name hb1 ) (resid 110 and name hd1*) 1.8 0 4.2  {W,  1.40,2.63e+05,1}
assign (resid 110 and name hb1 ) (resid 110 and name hd1*) 1.8 0 4.2  {W,  1.37,2.65e+05,1}
assign (resid 110 and name ha  ) (resid 110 and name hd2*) 1.8 0 4.2  {W,  4.25,2.87e+05,1}
assign (resid 110 and name hb2 ) (resid 110 and name hd2*) 1.8 0 4.2  {W,  1.83,6.27e+05,-1}
assign (resid 107 and name hb1 ) (resid 110 and name hd2*) 1.8 0 4.2  {W,  1.62,6.09e+05,0}
assign (resid 126 and name hb1 ) (resid 110 and name hd2*) 1.8 0 4.2  {W,  1.46,4.94e+05,1}
assign (resid 110 and name hb1 ) (resid 110 and name hd2*) 1.8 0 4.2  {W,  1.36,5.06e+05,1}
assign (resid 123 and name hg1*) (resid 110 and name hd2*) 1.8 0 5.2  {W,  1.06,1.41e+06,0}
assign (resid 113 and name ha  ) (resid 111 and name hb1 ) 1.8 0 3.2  {W,  4.57,4.18e+05,1}
assign (resid 114 and name hb2 ) (resid 111 and name hb1 ) 1.8 0 3.2  {W,  2.89,2.95e+05,1}
assign (resid 115 and name hb* ) (resid 111 and name hb1 ) 1.8 0 5.7  {W,  2.89,2.95e+05,-1}
assign (resid 113 and name hb1 ) (resid 111 and name hb1 ) 1.8 0 1.5  {M,  2.58,3.69e+06,1}
assign (resid 123 and name hg2*) (resid 112 and name ha  ) 1.8 0 4.2  {W,  0.70,3.62e+05,1}
assign (resid 120 and name ha  ) (resid 112 and name hb* ) 1.8 0 4.2  {W,  3.85,5.52e+05,1}
assign (resid 120 and name hg2 ) (resid 112 and name hb* ) 1.8 0 4.2  {W,  2.38,4.45e+05,1}
assign (resid 123 and name hb  ) (resid 112 and name hb* ) 1.8 0 4.2  {W,  1.89,4.29e+05,1}
assign (resid 127 and name hg2 ) (resid 112 and name hb* ) 1.8 0 4.2  {W,  1.76,2.79e+05,0}
assign (resid 123 and name hg2*) (resid 112 and name hb* ) 1.8 0 5.2  {W,  0.70,4.10e+05,1}
assign (resid 111 and name ha  ) (resid 113 and name hb2 ) 1.8 0 3.2  {W,  4.94,5.86e+05,1}
assign (resid 114 and name hb2 ) (resid 113 and name hb2 ) 1.8 0 3.2  {W,  2.89,2.95e+05,1}
assign (resid 110 and name ha  ) (resid 114 and name hb2 ) 1.8 0 3.2  {W,  4.25,3.55e+05,-1}
assign (resid 111 and name hb1 ) (resid 114 and name hb2 ) 1.8 0 3.2  {W,  2.71,3.11e+05,1}
assign (resid 113 and name hb2 ) (resid 114 and name hb2 ) 1.8 0 3.2  {W,  2.71,3.11e+05,1}
assign (resid 107 and name hb1 ) (resid 114 and name hb2 ) 1.8 0 4.7  {W,  1.68,9.58e+05,0}
assign (resid 110 and name hb1 ) (resid 114 and name hb2 ) 1.8 0 4.2  {W,  1.40,2.79e+05,-1}
assign (resid 22 and name hd2 ) (resid 114 and name hb1 ) 1.8 0 3.2  {W,  3.02,3.80e+05,-1}
assign (resid 33 and name hd2*) (resid 114 and name hb1 ) 1.8 0 4.2  {W,  0.50,2.68e+05,-1}
assign (resid 34 and name ha  ) (resid 115 and name ha  ) 1.8 0 3.2  {W,4.62,2.43e+05,-1}
assign (resid 114 and name ha  ) (resid 115 and name ha  ) 1.8 0 3.2  {W,  4.62,2.43e+05,-1}
assign (resid 116 and name ha  ) (resid 115 and name ha  ) 1.8 0 3.2  {W,  4.62,2.43e+05,0}
assign (resid 116 and name hd2 ) (resid 115 and name ha  ) 1.8 0 3.2  {W,  4.49,2.15e+05,0}
assign (resid 32 and name hb* ) (resid 115 and name ha  ) 1.8 0 5.7  {W,  1.64,3.57e+05,-1}
assign (resid 115 and name hd* ) (resid 115 and name hb* ) 1.8 0 5.2  {W,  7.03,2.70e+05,0}
assign (resid 114 and name hb1 ) (resid 115 and name hb* ) 1.8 0 4.2  {W,  2.59,2.58e+05,1}
assign (resid 117 and name hg2 ) (resid 117 and name ha  ) 1.8 0 3.2  {W,  2.16,3.52e+05,0}
assign (resid 120 and name hb2 ) (resid 117 and name hb1 ) 1.8 0 3.2  {W,  2.27,2.12e+06,0}
assign (resid 116 and name ha  ) (resid 117 and name hd2 ) 1.8 0 3.2  {W,  4.64,8.08e+05,0}
assign (resid 116 and name hb2 ) (resid 117 and name hd2 ) 1.8 0 3.2  {W,  2.53,2.46e+05,0}
assign (resid 116 and name ha  ) (resid 117 and name hd1 ) 1.8 0 3.2  {W,  4.64,5.93e+05,0}
assign (resid 71 and name hd2*) (resid 118 and name hb* ) 1.8 0 5.7  {W,  1.11,8.87e+05,-1}
assign (resid 115 and name hb* ) (resid 119 and name hb2 ) 1.8 0 4.2  {W,  2.89,1.39e+06,-1}
assign (resid 115 and name hb* ) (resid 119 and name hb1 ) 1.8 0 4.2  {W,  2.89,2.16e+06,-1}
assign (resid 120 and name hg1 ) (resid 120 and name ha  ) 1.8 0 3.2  {W,  2.16,4.06e+05,0}
assign (resid 123 and name hb  ) (resid 120 and name ha  ) 1.8 0 3.2  {W,  1.89,3.80e+05,-1}
assign (resid 123 and name hg1*) (resid 120 and name ha  ) 1.8 0 4.2  {W,  1.07,2.33e+05,-1}
assign (resid 120 and name ha  ) (resid 120 and name hg2 ) 1.8 0 3.2  {W,  3.84,3.70e+05,-1}
assign (resid 117 and name hb1 ) (resid 120 and name hg2 ) 1.8 0 3.2  {W,  1.99,6.19e+05,-1}
assign (resid 121 and name hg* ) (resid 121 and name ha  ) 1.8 0 4.2  {W,  2.09,4.13e+05,-1}
assign (resid 124 and name hb* ) (resid 121 and name ha  ) 1.8 0 4.2  {W,  1.40,5.50e+05,1}
assign (resid 120 and name hb2 ) (resid 121 and name hb2 ) 1.8 0 4.2  {W,  2.28,6.40e+05,0}
assign (resid 71 and name hd2*) (resid 121 and name hb1 ) 1.8 0 4.2  {W,  1.11,2.98e+05,1}
assign (resid 122 and name hg2*) (resid 121 and name hb1 ) 1.8 0 4.2  {W,  0.44,6.36e+05,1}
assign (resid 73 and name hb1 ) (resid 121 and name hg* ) 1.8 0 4.2  {W,  2.55,4.62e+05,-1}
assign (resid 120 and name hb2 ) (resid 121 and name hg* ) 1.8 0 4.2  {W,  2.26,6.91e+05,0}
assign (resid 71 and name hd2*) (resid 121 and name hg* ) 1.8 0 5.2  {W,  1.09,3.57e+05,1}
assign (resid 120 and name hb2 ) (resid 121 and name hd2 ) 1.8 0 3.2  {W,  2.30,6.58e+05,0}
assign (resid 120 and name hb2 ) (resid 121 and name hd1 ) 1.8 0 3.2  {W,  2.28,3.58e+05,0}
assign (resid 125 and name hb* ) (resid 122 and name ha  ) 1.8 0 4.2  {W,  1.87,5.99e+05,-1}
assign (resid 122 and name hg2*) (resid 122 and name ha  ) 1.8 0 4.2  {W,  0.44,5.29e+05,1}
assign (resid 122 and name hg1*) (resid 122 and name ha  ) 1.8 0 4.2  {W, -0.16,6.91e+05,-1}
assign (resid 121 and name ha  ) (resid 122 and name hb  ) 1.8 0 3.7  {W,  4.33,2.35e+05,1}
assign (resid 121 and name hb2 ) (resid 122 and name hb  ) 1.8 0 3.2  {W,  2.40,1.44e+06,1}
assign (resid 121 and name hg* ) (resid 122 and name hb  ) 1.8 0 4.2  {W,  2.07,8.64e+05,1}
assign (resid 125 and name hb* ) (resid 122 and name hb  ) 1.8 0 4.7  {W,  1.89,2.57e+05,-1}
assign (resid 71 and name hd2*) (resid 122 and name hb  ) 1.8 0 4.2  {W,  1.11,2.98e+05,1}
assign (resid 84 and name hz  ) (resid 122 and name hg2*) 1.8 0 4.2  {W,7.30,3.90e+05,0}
assign (resid 68 and name hd* ) (resid 122 and name hg2*) 1.8 0 5.2  {W,  7.07,2.06e+05,0}
assign (resid 84 and name hd* ) (resid 122 and name hg2*) 1.8 0 5.2  {W,  6.91,2.04e+05,0}
assign (resid 122 and name ha  ) (resid 122 and name hg2*) 1.8 0 4.2  {W,  3.45,3.69e+05,1}
assign (resid 71 and name hg  ) (resid 122 and name hg2*) 1.8 0 4.2  {W,  1.62,9.05e+05,-1}
assign (resid 121 and name hb1 ) (resid 122 and name hg2*) 1.8 0 4.2  {W,  1.62,9.05e+05,1}
assign (resid 71 and name hg  ) (resid 122 and name hg2*) 1.8 0 4.2  {W,  1.62,9.05e+05,-1}
assign (resid 70 and name hg2 ) (resid 122 and name hg2*) 1.8 0 4.2  {W,  0.29,5.61e+05,0}
assign (resid 124 and name hb* ) (resid 122 and name hg1*) 1.8 0 5.7  {W,  1.38,3.49e+05,-1}
assign (resid 86 and name hd2*) (resid 122 and name hg1*) 1.8 0 5.2  {W,  0.82,3.63e+05,0}
assign (resid 126 and name hb2 ) (resid 123 and name ha  ) 1.8 0 3.2  {W,  2.01,4.09e+05,1}
assign (resid 126 and name hb1 ) (resid 123 and name ha  ) 1.8 0 3.2  {W,  1.48,2.23e+05,-1}
assign (resid 123 and name hg1*) (resid 123 and name ha  ) 1.8 0 4.2  {W,  1.05,3.78e+05,-1}
assign (resid 123 and name hg2*) (resid 123 and name ha  ) 1.8 0 4.2  {W,  0.70,8.06e+05,1}
assign (resid 112 and name hb* ) (resid 123 and name hb  ) 1.8 0 4.2  {W,  1.50,2.56e+05,1}
assign (resid 35 and name hz  ) (resid 123 and name hg1*) 1.8 0 4.2  {W,6.44,2.81e+05,0}
assign (resid 33 and name hb1 ) (resid 123 and name hg1*) 1.8 0 4.2  {W, -0.06,5.87e+05,0}
assign (resid 112 and name ha  ) (resid 123 and name hg2*) 1.8 0 4.2  {W,  4.00,4.96e+05,1}
assign (resid 123 and name ha  ) (resid 123 and name hg2*) 1.8 0 4.2  {W,  3.49,5.49e+05,1}
assign (resid 127 and name he* ) (resid 123 and name hg2*) 1.8 0 5.2  {W,  3.06,3.59e+05,1}
assign (resid 127 and name hd* ) (resid 123 and name hg2*) 1.8 0 5.2  {W,  1.70,4.55e+05,-1}
assign (resid 112 and name hb* ) (resid 123 and name hg2*) 1.8 0 5.2  {W,  1.50,7.93e+05,1}
assign (resid 110 and name hb1 ) (resid 123 and name hg2*) 1.8 0 4.2  {W,  1.36,3.28e+05,-1}
assign (resid 127 and name hg2 ) (resid 124 and name ha  ) 1.8 0 3.2  {W,  1.81,3.43e+05,-1}
assign (resid 123 and name hg2*) (resid 124 and name ha  ) 1.8 0 4.2  {W,  0.70,2.64e+05,1}
assign (resid 121 and name ha  ) (resid 124 and name hb* ) 1.8 0 4.2  {W,  4.31,5.60e+05,1}
assign (resid 127 and name hd* ) (resid 124 and name hb* ) 1.8 0 5.2  {W,  1.65,3.45e+05,1}
assign (resid 125 and name hd2 ) (resid 124 and name hb* ) 1.8 0 4.2  {W,  1.31,6.58e+05,0}
assign (resid 125 and name hg2 ) (resid 125 and name ha  ) 1.8 0 3.2  {W,  1.46,4.19e+05,1}
assign (resid 127 and name hg1 ) (resid 125 and name hb* ) 1.8 0 4.2  {W,  1.54,1.01e+06,1}
assign (resid 125 and name hd2 ) (resid 125 and name hb* ) 1.8 0 4.2  {W,  1.34,2.89e+05,1}
assign (resid 124 and name ha  ) (resid 125 and name hg2 ) 1.8 0 3.2  {W,  4.04,3.75e+05,-1}
assign (resid 125 and name ha  ) (resid 125 and name hg2 ) 1.8 0 3.2  {W,  3.98,3.88e+05,1}
assign (resid 125 and name ha  ) (resid 125 and name hg2 ) 1.8 0 3.2  {W,  3.94,3.92e+05,1}
assign (resid 125 and name ha  ) (resid 125 and name hg1 ) 1.8 0 3.2  {W,  3.94,1.98e+05,-1}
assign (resid 126 and name hd1*) (resid 125 and name hg1 ) 1.8 0 4.2  {W,  0.52,2.10e+05,0}
assign (resid 125 and name hb* ) (resid 125 and name hd2 ) 1.8 0 4.2  {W,  1.87,6.78e+05,1}
assign (resid 128 and name hg1 ) (resid 125 and name hd2 ) 1.8 0 3.2  {W,  1.67,2.65e+05,-1}
assign (resid 125 and name hb* ) (resid 125 and name hd1 ) 1.8 0 4.2  {W,  1.87,6.74e+05,-1}
assign (resid 125 and name hg2 ) (resid 125 and name he2 ) 1.8 0 3.2  {W,  1.46,3.59e+05,-1}
assign (resid 125 and name hg1 ) (resid 125 and name he2 ) 1.8 0 3.2  {W,  1.23,3.48e+05,-1}
assign (resid 125 and name hg2 ) (resid 125 and name he1 ) 1.8 0 3.2  {W,  1.46,3.37e+05,-1}
assign (resid 125 and name hg1 ) (resid 125 and name he1 ) 1.8 0 3.2  {W,  1.23,3.72e+05,-1}
assign (resid 129 and name hb2 ) (resid 126 and name ha  ) 1.8 0 3.2  {W,  1.81,8.13e+05,1}
assign (resid 129 and name hb1 ) (resid 126 and name ha  ) 1.8 0 3.2  {W,  1.64,5.71e+05,1}
assign (resid 129 and name hd2*) (resid 126 and name ha  ) 1.8 0 4.2  {W,  0.97,1.34e+06,-1}
assign (resid 126 and name hd1*) (resid 126 and name ha  ) 1.8 0 4.2  {W,  0.47,7.30e+05,0}
assign (resid 123 and name ha  ) (resid 126 and name hb2 ) 1.8 0 3.2  {W,  3.47,2.57e+05,1}
assign (resid 129 and name hd1*) (resid 126 and name hb2 ) 1.8 0 4.2  {W,  0.89,3.27e+05,0}
assign (resid 126 and name hd2*) (resid 126 and name hb2 ) 1.8 0 4.2  {W,  0.64,4.34e+05,1}
assign (resid 126 and name hd1*) (resid 126 and name hb2 ) 1.8 0 4.2  {W,  0.46,3.62e+05,0}
assign (resid 129 and name hb2 ) (resid 126 and name hb1 ) 1.8 0 3.2  {W,  1.83,4.12e+05,-1}
assign (resid 129 and name hd1*) (resid 126 and name hb1 ) 1.8 0 4.2  {W,  0.91,4.68e+05,0}
assign (resid 126 and name hd2*) (resid 126 and name hb1 ) 1.8 0 4.2  {W,  0.64,2.91e+05,1}
assign (resid 126 and name hd1*) (resid 126 and name hb1 ) 1.8 0 4.2  {W,  0.46,5.74e+05,0}
assign (resid 129 and name hd1*) (resid 126 and name hg  ) 1.8 0 4.2  {W,  0.89,2.12e+05,0}
assign (resid 122 and name ha  ) (resid 126 and name hd2*) 1.8 0 4.2  {W,  3.47,3.17e+05,-1}
assign (resid 123 and name ha  ) (resid 126 and name hd2*) 1.8 0 4.2  {W,  3.47,3.17e+05,-1}
assign (resid 122 and name ha  ) (resid 126 and name hd2*) 1.8 0 4.2  {W,  3.47,3.17e+05,-1}
assign (resid 123 and name ha  ) (resid 126 and name hd2*) 1.8 0 4.2  {W,  3.47,3.17e+05,-1}
assign (resid 126 and name hb2 ) (resid 126 and name hd2*) 1.8 0 4.2  {W,  2.01,5.60e+05,1}
assign (resid 126 and name hb1 ) (resid 126 and name hd2*) 1.8 0 4.2  {W,  1.46,3.85e+05,1}
assign (resid 123 and name hg1*) (resid 126 and name hd2*) 1.8 0 5.2  {W,  1.03,2.23e+05,-1}
assign (resid 129 and name hd1*) (resid 126 and name hd2*) 1.8 0 5.2  {W,  0.87,4.48e+05,0}
assign (resid 127 and name hg2 ) (resid 127 and name ha  ) 1.8 0 3.2  {W,  1.81,1.22e+06,-1}
assign (resid 127 and name hd* ) (resid 127 and name ha  ) 1.8 0 4.2  {W,  1.70,6.26e+05,-1}
assign (resid 127 and name hg1 ) (resid 127 and name ha  ) 1.8 0 3.2  {W,  1.48,3.69e+05,-1}
assign (resid 110 and name hd2*) (resid 127 and name ha  ) 1.8 0 4.2  {W,  0.91,1.10e+06,-1}
assign (resid 127 and name hd* ) (resid 127 and name hb2 ) 1.8 0 4.2  {W,  1.64,2.23e+05,1}
assign (resid 123 and name hg2*) (resid 127 and name hb1 ) 1.8 0 4.2  {W,  0.68,3.49e+05,-1}
assign (resid 110 and name hd2*) (resid 127 and name hg2 ) 1.8 0 4.2  {W,  0.89,2.12e+05,0}
assign (resid 126 and name hd2*) (resid 127 and name hg2 ) 1.8 0 4.2  {W,  0.64,5.43e+05,0}
assign (resid 126 and name hd1*) (resid 127 and name hg2 ) 1.8 0 4.7  {W,  0.47,3.24e+05,0}
assign (resid 124 and name hb* ) (resid 127 and name hg1 ) 1.8 0 4.2  {W,  1.35,6.02e+05,-1}
assign (resid 115 and name hb* ) (resid 127 and name hd* ) 1.8 0 5.2  {W,  2.84,5.05e+05,0}
assign (resid 127 and name hb2 ) (resid 127 and name hd* ) 1.8 0 4.2  {W,  2.05,2.40e+05,1}
assign (resid 124 and name hb* ) (resid 127 and name hd* ) 1.8 0 5.2  {W,  1.36,5.22e+05,1}
assign (resid 127 and name hg2 ) (resid 127 and name he* ) 1.8 0 4.2  {W,  1.79,8.64e+05,-1}
assign (resid 123 and name hg2*) (resid 127 and name he* ) 1.8 0 5.2  {W,  0.72,2.35e+05,1}
assign (resid 127 and name hb2 ) (resid 128 and name ha  ) 1.8 0 3.2  {W,  2.05,6.00e+05,-1}
assign (resid 127 and name hb2 ) (resid 128 and name hb2 ) 1.8 0 3.2  {W,  2.05,5.84e+05,1}
assign (resid 127 and name hb2 ) (resid 128 and name hb1 ) 1.8 0 3.2  {W,  2.05,1.61e+06,-1}
assign (resid 128 and name ha  ) (resid 128 and name hg2 ) 1.8 0 3.2  {W,  4.45,2.63e+05,1}
assign (resid 127 and name hb2 ) (resid 128 and name hg2 ) 1.8 0 3.2  {W,  2.05,8.05e+05,-1}
assign (resid 125 and name hg1 ) (resid 128 and name hg1 ) 1.8 0 3.7  {W,  1.19,1.72e+06,-1}
assign (resid 129 and name hd1*) (resid 128 and name hg1 ) 1.8 0 4.7  {W,  0.91,9.29e+05,0}
assign (resid 127 and name hb2 ) (resid 128 and name hd* ) 1.8 0 4.2  {W,  2.05,3.96e+05,-1}
assign (resid 129 and name hg  ) (resid 129 and name ha  ) 1.8 0 3.2  {W,  1.97,7.59e+05,-1}
assign (resid 126 and name hb1 ) (resid 129 and name ha  ) 1.8 0 3.7  {W,  1.46,3.48e+05,1}
assign (resid 129 and name hd2*) (resid 129 and name ha  ) 1.8 0 4.2  {W,  0.97,1.87e+06,-1}
assign (resid 126 and name hd1*) (resid 129 and name ha  ) 1.8 0 4.2  {W,  0.47,8.64e+05,0}
assign (resid 126 and name ha  ) (resid 129 and name hb2 ) 1.8 0 3.2  {W,  4.10,5.50e+05,1}
assign (resid 128 and name hb2 ) (resid 129 and name hb2 ) 1.8 0 3.2  {W,  1.93,7.11e+05,-1}
assign (resid 110 and name hb1 ) (resid 129 and name hb2 ) 1.8 0 3.2  {W,  1.36,5.27e+05,1}
assign (resid 129 and name hd2*) (resid 129 and name hb2 ) 1.8 0 4.2  {W,  0.97,9.08e+05,-1}
assign (resid 12 and name hd1 ) (resid 129 and name hb1 ) 1.8 0 3.7  {W,  3.08,4.03e+05,1}
assign (resid 129 and name hd2*) (resid 129 and name hb1 ) 1.8 0 4.2  {W,  0.97,7.38e+05,-1}
assign (resid 109 and name ha1 ) (resid 129 and name hg  ) 1.8 0 3.7  {W,  3.69,3.52e+05,-1}
assign (resid 12 and name hd1 ) (resid 129 and name hd2*) 1.8 0 4.2  {W,3.02,3.25e+05,1}
assign (resid 12 and name hg1 ) (resid 129 and name hd2*) 1.8 0 4.2  {W,  1.56,9.20e+05,-1}
assign (resid 110 and name hb1 ) (resid 129 and name hd2*) 1.8 0 4.2  {W,  1.34,2.87e+05,1}

!***************Intramolecular NOE between protons of AMPCPP *****
!h8
!h8 to sugar Hs
assign (resid 130 and name h8  ) (resid 130 and name h1' ) 3.8 0.0 0.2
assign (resid 130 and name h8  ) (resid 130 and name h2' ) 2.8 0.0 1.7
assign (resid 130 and name h8  ) (resid 130 and name h3' ) 2.9 0.0 0.3
assign (resid 130 and name h8  ) (resid 130 and name h4' ) 4.3 0.0 0.5
assign (resid 130 and name h8  ) (resid 130 and name h5* ) 3.0 0.0 1.1
assign (resid 130 and name h8  ) (resid 130 and name h3p*) 3.5 0.0 1.0

!***************Intermolecular NOE between AMPCPP protons and MutT protons***
!h8 to mutt
assign (resid 130 and name h8  ) (resid 4 and name hb* ) 2.0 0.0 3.5
assign (resid 130 and name h8  ) (resid 4 and name hg  ) 2.0 0.0 2.5
assign (resid 130 and name h8  ) (resid 4 and name hd* ) 2.0 0.0 4.2
assign (resid 130 and name h8  ) (resid 6 and name hg2*) 2.0 0.0 3.0
assign (resid 130 and name h8  ) (resid 6 and name hb  ) 2.0 0.0 2.5
assign (resid 130 and name h8  ) (resid 6 and name hd* ) 2.0 0.0 3.5
!h2
assign (resid 130 and name h2  ) (resid 130 and name h1' ) 4.3 0.0 0.4
!h2 to mutt
assign (resid 130 and name h2  ) (resid 80 and name hg12) 2.0 0.0 2.0
assign (resid 130 and name h2  ) (resid 80 and name hg11) 2.0 0.0 2.0
assign (resid 130 and name h2  ) (resid 80 and name hb  ) 2.0 0.0 2.5
assign (resid 130 and name h2  ) (resid 80 and name hd* ) 2.0 0.0 3.0
!h1'
assign (resid 130 and name h1' ) (resid 130 and name h2' ) 2.8 0.0 0.2
assign (resid 130 and name h1' ) (resid 130 and name h3' ) 3.7 0.0 0.5
assign (resid 130 and name h1' ) (resid 130 and name h4' ) 3.0 0.0 0.6
assign (resid 130 and name h1' ) (resid 130 and name h5* ) 4.2 0.0 1.2
!h1' to mutt
assign (resid 130 and name h1' ) (resid 4 and name hb* ) 2.0 0.0 4.0
assign (resid 130 and name h1' ) (resid 4 and name hg  )  2.0 0.0 2.5
assign (resid 130 and name h1' ) (resid 4 and name hd* ) 2.0 0.0 3.2
!h2' to mutt
assign (resid 130 and name h2'') (resid 6 and name hd* ) 2.5 0.0 2.5
!h3' to mutt
assign (resid 130 and name h3' ) (resid 4 and name hd* ) 2.5 0.0 2.5
!h4' to mutt
assign (resid 130 and name h4' ) (resid 4 and name hb* ) 2.5 0.0 2.5
assign (resid 130 and name h4' ) (resid 4 and name hd* ) 2.0 0.0 3.5
assign (resid 130 and name h4' ) (resid 39 and name hd* ) 2.5 0.0 2.5
!h5' and h5'' to mutt
assign (resid 130 and name h5* ) (resid 4 and name hb* ) 2.0 0.0 3.5
assign (resid 130 and name h5* ) (resid 4 and name hd* ) 2.0 0.0 4.5
!h3p' and h3p to mutt
assign (resid 130 and name h3p ) (resid 38 and name ha* ) 2.0 0.0 4.5
assign (resid 130 and name h3p ) (resid 39 and name hd* ) 2.0 0.0 4.5

!*************** second metal (enzyme bound)******************
!by Co2+ and Mn2+ titrations
assign (resid 131 and name mg ) (resid 57 and name oe2 ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 56 and name oe1 ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 98 and name oe2 ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 38 and name o  ) 2.0 0.0 0.4
assign (resid 131 and name mg ) (resid 38 and name nh  ) 3.5 0.0 2.5
assign (resid 131 and name mg ) (resid 39 and name nh  ) 3.5 0.0 2.5
!by paramagnetic effects on 31P T1
assign (resid 131 and name mg ) (resid 130 and name p  ) 3.8 0.0 4.2
assign (resid 131 and name mg ) (resid 130 and name p2 ) 3.1 0.0 3.5
assign (resid 131 and name mg ) (resid 130 and name p3 ) 3.0 0.0 3.3
!these distances are to keep octahedral geometry of Mg2+
assign (resid 57 and name oe2 ) (resid 56 and name oe1 ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 98 and name oe2 ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 38 and name o  ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 131 and name o1  ) 3.0 0.0 1.5
assign (resid 57 and name oe2 ) (resid 131 and name o2  ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 98 and name oe2 ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 38 and name o  ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 131 and name o1 ) 3.0 0.0 1.5
assign (resid 56 and name oe1 ) (resid 131 and name o2 ) 3.0 0.0 0.8
assign (resid 98 and name oe2 ) (resid 38 and name o  ) 3.0 0.0 1.5
assign (resid 98 and name oe2 ) (resid 131 and name o1 ) 3.0 0.0 1.5
assign (resid 98 and name oe2 ) (resid 131 and name o2 ) 3.0 0.0 1.5

!************ H-BONDS  (Total of 34 main chain - main chain)*******

assign (resid 4 and name n) (resid 79 and name o) 2.5 0 3.5
assign (resid 4 and name hn) (resid 79 and name o) 1.5 0 2.5

assign (resid 6 and name n) (resid 81 and name o) 2.5 0 3.5
assign (resid 6 and name hn) (resid 81 and name o) 1.5 0 2.5

assign (resid 8 and name n) (resid 83 and name o) 2.5 0 3.5
assign (resid 8 and name hn) (resid 83 and name o) 1.5 0 2.5

assign (resid 10 and name n) (resid 85 and name o) 2.5 0 3.5
assign (resid 10 and name hn) (resid 85 and name o) 1.5 0 2.5

assign (resid 12 and name n) (resid 87 and name o) 2.5 0 3.5
assign (resid 12 and name hn) (resid 87 and name o) 1.5 0 2.5

assign (resid 13 and name n) (resid 17 and name o) 2.5 0 3.5
assign (resid 13 and name hn) (resid 17 and name o) 1.5 0 2.5

assign (resid 17 and name n) (resid 13 and name o) 2.5 0 3.5
assign (resid 17 and name hn) (resid 13 and name o) 1.5 0 2.5

assign (resid 18 and name n) (resid 105 and name o) 2.5 0 3.5
assign (resid 18 and name hn) (resid 105 and name o) 1.5 0 2.5

assign (resid 19 and name n) (resid 11 and name o) 2.5 0 3.5
assign (resid 19 and name hn) (resid 11 and name o) 1.5 0 2.5

assign (resid 20 and name n) (resid 103 and name o) 2.5 0 3.5
assign (resid 20 and name hn) (resid 103 and name o) 1.5 0 2.5


!Helix I

assign (resid 51 and name n) (resid 47 and name o) 2.5 0 3.5
assign (resid 51 and name hn) (resid 47 and name o) 1.5 0 2.5

assign (resid 52 and name n) (resid 48 and name o) 2.5 0 3.5
assign (resid 52 and name hn) (resid 48 and name o) 1.5 0 2.5

assign (resid 53 and name n) (resid 49 and name o) 2.5 0 3.5
assign (resid 53 and name hn) (resid 49 and name o) 1.5 0 2.5

assign (resid 54 and name n) (resid 50 and name o) 2.5 0 3.5
assign (resid 54 and name hn) (resid 50 and name o) 1.5 0 2.5

assign (resid 55 and name n) (resid 51 and name o) 2.5 0 3.5
assign (resid 55 and name hn) (resid 51 and name o) 1.5 0 2.5

assign (resid 56 and name n) (resid 52 and name o) 2.5 0 3.5
assign (resid 56 and name hn) (resid 52 and name o) 1.5 0 2.5

assign (resid 57 and name n) (resid 53 and name o) 2.5 0 3.5
assign (resid 57 and name hn) (resid 53 and name o) 1.5 0 2.5

assign (resid 58 and name n) (resid 54 and name o) 2.5 0 3.5
assign (resid 58 and name hn) (resid 54 and name o) 1.5 0 2.5


assign (resid 71 and name n) (resid 82 and name o) 2.5 0 3.5
assign (resid 71 and name hn) (resid 82 and name o) 1.5 0 2.5

assign (resid 73 and name n) (resid 80 and name o) 2.5 0 3.5
assign (resid 73 and name hn) (resid 80 and name o) 1.5 0 2.5

assign (resid 75 and name n) (resid 78 and name o) 2.5 0 3.5
assign (resid 75 and name hn) (resid 78 and name o) 1.5 0 2.5

assign (resid 78 and name n) (resid 75 and name o) 2.5 0 3.5
assign (resid 78 and name hn) (resid 75 and name o) 1.5 0 2.5

assign (resid 80 and name n) (resid 73 and name o) 2.5 0 3.5
assign (resid 80 and name hn) (resid 73 and name o) 1.5 0 2.5

assign (resid 81 and name n) (resid 4 and name o) 2.5 0 3.5
assign (resid 81 and name hn) (resid 4 and name o) 1.5 0 2.5

assign (resid 83 and name n) (resid 6 and name o) 2.5 0 3.5
assign (resid 83 and name hn) (resid 6 and name o) 1.5 0 2.5

assign (resid 85 and name n) (resid 8 and name o) 2.5 0 3.5
assign (resid 85 and name hn) (resid 8 and name o) 1.5 0 2.5

assign (resid 87 and name n) (resid 10 and name o) 2.5 0 3.5
assign (resid 87 and name hn) (resid 10 and name o) 1.5 0 2.5

assign (resid 103 and name n) (resid 20 and name o) 2.5 0 3.5
assign (resid 103 and name hn) (resid 20 and name o) 1.5 0 2.5

assign (resid 105 and name n) (resid 18 and name o) 2.5 0 3.5
assign (resid 105 and name hn) (resid 18 and name o) 1.5 0 2.5


!Helix II

assign (resid 123 and name n) (resid 119 and name o) 2.5 0 3.5
assign (resid 123 and name hn) (resid 119 and name o) 1.5 0 2.5

assign (resid 124 and name n) (resid 120 and name o) 2.5 0 3.5
assign (resid 124 and name hn) (resid 120 and name o) 1.5 0 2.5

assign (resid 125 and name n) (resid 121 and name o) 2.5 0 3.5
assign (resid 125 and name hn) (resid 121 and name o) 1.5 0 2.5

assign (resid 126 and name n) (resid 122 and name o) 2.5 0 3.5
assign (resid 126 and name hn) (resid 122 and name o) 1.5 0 2.5

assign (resid 127 and name n) (resid 123 and name o) 2.5 0 3.5
assign (resid 127 and name hn) (resid 123 and name o) 1.5 0 2.5
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1  14.131  16.568   7.228
    2   2H    MET   1           HT3      MET   1  14.330  18.204   6.834
    3   3H    MET   1           HT2      MET   1  13.854  17.095   5.637
    4    HA   MET   1           HA       MET   1  16.109  17.455   5.216
    5   1HB   MET   1           HB2      MET   1  17.719  17.052   7.241
    6   2HB   MET   1           HB1      MET   1  16.901  18.608   7.095
    7   1HG   MET   1           HG2      MET   1  15.207  17.942   8.688
    8   2HG   MET   1           HG1      MET   1  15.826  16.292   8.725
    9   1HE   MET   1           HE3      MET   1  15.397  19.299  10.164
   10   2HE   MET   1           HE2      MET   1  15.635  18.338  11.622
   11   3HE   MET   1           HE1      MET   1  16.704  19.698  11.287
   12    H    LYS   2           HN       LYS   2  14.257  15.123   5.425
   13    HA   LYS   2           HA       LYS   2  16.346  13.061   5.211
   14   1HB   LYS   2           HB2      LYS   2  15.901  11.959   7.108
   15   2HB   LYS   2           HB1      LYS   2  14.907  13.313   7.616
   16   1HG   LYS   2           HG2      LYS   2  13.921  10.918   6.026
   17   2HG   LYS   2           HG1      LYS   2  13.719  11.127   7.759
   18   1HD   LYS   2           HD2      LYS   2  12.188  12.873   7.507
   19   2HD   LYS   2           HD1      LYS   2  12.738  13.263   5.880
   20   1HE   LYS   2           HE2      LYS   2  10.680  12.156   5.534
   21   2HE   LYS   2           HE1      LYS   2  11.891  10.907   5.239
   22   1HZ   LYS   2           HZ1      LYS   2  10.790  11.290   7.943
   23   2HZ   LYS   2           HZ3      LYS   2   9.913  10.404   6.793
   24   3HZ   LYS   2           HZ2      LYS   2  11.470   9.896   7.248
   25    H    LYS   3           HN       LYS   3  15.257  10.925   4.460
   26    HA   LYS   3           HA       LYS   3  12.734  11.449   3.041
   27   1HB   LYS   3           HB2      LYS   3  14.273  12.074   1.320
   28   2HB   LYS   3           HB1      LYS   3  15.320  10.696   1.667
   29   1HG   LYS   3           HG2      LYS   3  13.587   9.144   0.926
   30   2HG   LYS   3           HG1      LYS   3  12.466  10.482   0.670
   31   1HD   LYS   3           HD2      LYS   3  13.465  11.113  -1.289
   32   2HD   LYS   3           HD1      LYS   3  15.082  10.700  -0.717
   33   1HE   LYS   3           HE2      LYS   3  14.160   8.228  -0.832
   34   2HE   LYS   3           HE1      LYS   3  13.003   8.930  -1.962
   35   1HZ   LYS   3           HZ3      LYS   3  15.936   9.293  -2.194
   36   2HZ   LYS   3           HZ2      LYS   3  15.081   8.060  -2.991
   37   3HZ   LYS   3           HZ1      LYS   3  14.752   9.688  -3.342
   38    H    LEU   4           HN       LEU   4  11.641   9.504   2.404
   39    HA   LEU   4           HA       LEU   4  12.850   6.917   2.992
   40   1HB   LEU   4           HB2      LEU   4  12.016   6.523   5.056
   41   2HB   LEU   4           HB1      LEU   4  11.663   8.238   5.142
   42    HG   LEU   4           HG       LEU   4   9.691   7.027   5.746
   43   1HD1  LEU   4          HD12      LEU   4   9.762   8.864   3.655
   44   2HD1  LEU   4          HD11      LEU   4   8.651   7.599   3.123
   45   3HD1  LEU   4          HD13      LEU   4   8.376   8.428   4.650
   46   1HD2  LEU   4          HD23      LEU   4  10.617   5.142   3.870
   47   2HD2  LEU   4          HD22      LEU   4   9.189   5.016   4.897
   48   3HD2  LEU   4          HD21      LEU   4   9.051   5.694   3.275
   49    H    GLN   5           HN       GLN   5  11.562   5.186   2.144
   50    HA   GLN   5           HA       GLN   5   9.251   6.127   0.499
   51   1HB   GLN   5           HB2      GLN   5  11.324   4.022  -0.180
   52   2HB   GLN   5           HB1      GLN   5   9.881   4.350  -1.139
   53   1HG   GLN   5           HG2      GLN   5  11.119   5.899  -2.224
   54   2HG   GLN   5           HG1      GLN   5  10.970   6.872  -0.756
   55   1HE2  GLN   5          HE22      GLN   5  14.332   6.303   0.278
   56   2HE2  GLN   5          HE21      GLN   5  12.802   6.860   0.758
   57    H    ILE   6           HN       ILE   6   7.650   4.405   0.054
   58    HA   ILE   6           HA       ILE   6   7.634   2.372   2.235
   59    HB   ILE   6           HB       ILE   6   5.526   4.295   1.325
   60   1HG1  ILE   6          HG12      ILE   6   6.986   3.518   3.759
   61   2HG1  ILE   6          HG11      ILE   6   6.255   5.059   3.329
   62   1HG2  ILE   6          HG22      ILE   6   4.521   2.052   0.997
   63   2HG2  ILE   6          HG21      ILE   6   4.972   1.617   2.646
   64   3HG2  ILE   6          HG23      ILE   6   3.786   2.891   2.364
   65   1HD1  ILE   6          HD11      ILE   6   4.689   2.641   4.301
   66   2HD1  ILE   6          HD13      ILE   6   5.189   3.976   5.337
   67   3HD1  ILE   6          HD12      ILE   6   4.052   4.261   4.021
   68    H    ALA   7           HN       ALA   7   7.822   0.421   1.334
   69    HA   ALA   7           HA       ALA   7   7.047  -0.034  -1.461
   70   1HB   ALA   7           HB3      ALA   7   8.927  -1.153   0.287
   71   2HB   ALA   7           HB2      ALA   7   7.718  -2.418   0.070
   72   3HB   ALA   7           HB1      ALA   7   8.536  -1.730  -1.333
   73    H    VAL   8           HN       VAL   8   4.714   0.588  -0.580
   74    HA   VAL   8           HA       VAL   8   3.375  -1.595   0.825
   75    HB   VAL   8           HB       VAL   8   2.333   0.437   1.316
   76   1HG1  VAL   8          HG11      VAL   8   3.187   1.155  -1.384
   77   2HG1  VAL   8          HG13      VAL   8   1.570   1.740  -1.010
   78   3HG1  VAL   8          HG12      VAL   8   2.929   2.184   0.020
   79   1HG2  VAL   8          HG21      VAL   8   0.798  -1.431   0.234
   80   2HG2  VAL   8          HG23      VAL   8   0.125   0.152   0.624
   81   3HG2  VAL   8          HG22      VAL   8   0.585  -0.226  -1.036
   82    H    GLY   9           HN       GLY   9   2.268  -0.167  -2.252
   83   1HA   GLY   9           HA2      GLY   9   1.721  -1.256  -4.262
   84   2HA   GLY   9           HA1      GLY   9   2.616  -2.669  -3.680
   85    H    ILE  10           HN       ILE  10  -0.431  -0.981  -3.549
   86    HA   ILE  10           HA       ILE  10  -1.851  -2.556  -1.731
   87    HB   ILE  10           HB       ILE  10  -3.513  -2.081  -4.081
   88   1HG1  ILE  10          HG12      ILE  10  -2.067   0.333  -2.929
   89   2HG1  ILE  10          HG11      ILE  10  -1.764  -0.336  -4.536
   90   1HG2  ILE  10          HG22      ILE  10  -3.841  -2.189  -1.390
   91   2HG2  ILE  10          HG21      ILE  10  -3.739  -0.441  -1.601
   92   3HG2  ILE  10          HG23      ILE  10  -4.977  -1.361  -2.455
   93   1HD1  ILE  10          HD12      ILE  10  -4.601   0.231  -3.873
   94   2HD1  ILE  10          HD11      ILE  10  -3.556   1.636  -4.084
   95   3HD1  ILE  10          HD13      ILE  10  -3.728   0.461  -5.388
   96    H    ILE  11           HN       ILE  11  -3.525  -4.296  -2.406
   97    HA   ILE  11           HA       ILE  11  -2.354  -5.983  -4.551
   98    HB   ILE  11           HB       ILE  11  -2.622  -7.948  -2.924
   99   1HG1  ILE  11          HG12      ILE  11  -2.757  -5.609  -0.978
  100   2HG1  ILE  11          HG11      ILE  11  -4.041  -6.788  -1.286
  101   1HG2  ILE  11          HG23      ILE  11  -0.594  -5.807  -2.992
  102   2HG2  ILE  11          HG22      ILE  11  -0.548  -6.780  -1.524
  103   3HG2  ILE  11          HG21      ILE  11  -0.378  -7.552  -3.098
  104   1HD1  ILE  11          HD12      ILE  11  -1.399  -7.921  -0.560
  105   2HD1  ILE  11          HD11      ILE  11  -2.250  -7.060   0.723
  106   3HD1  ILE  11          HD13      ILE  11  -3.016  -8.433  -0.077
  107    H    ARG  12           HN       ARG  12  -4.328  -5.191  -5.662
  108    HA   ARG  12           HA       ARG  12  -6.918  -6.162  -4.654
  109   1HB   ARG  12           HB2      ARG  12  -7.511  -5.472  -7.183
  110   2HB   ARG  12           HB1      ARG  12  -7.389  -4.272  -5.906
  111   1HG   ARG  12           HG2      ARG  12  -5.115  -3.740  -6.533
  112   2HG   ARG  12           HG1      ARG  12  -5.065  -5.074  -7.677
  113   1HD   ARG  12           HD2      ARG  12  -7.065  -2.811  -7.952
  114   2HD   ARG  12           HD1      ARG  12  -5.468  -2.745  -8.684
  115    HE   ARG  12           HE       ARG  12  -6.589  -5.243  -9.414
  116   1HH1  ARG  12          HH11      ARG  12  -5.703  -3.048 -11.321
  117   2HH1  ARG  12          HH12      ARG  12  -7.173  -2.735 -12.182
  118   1HH2  ARG  12          HH21      ARG  12  -9.184  -4.385  -9.889
  119   2HH2  ARG  12          HH22      ARG  12  -9.141  -3.492 -11.373
  120    H    ASN  13           HN       ASN  13  -7.906  -8.166  -5.387
  121    HA   ASN  13           HA       ASN  13  -6.652  -9.441  -7.707
  122   1HB   ASN  13           HB2      ASN  13  -5.433 -11.078  -6.675
  123   2HB   ASN  13           HB1      ASN  13  -5.269  -9.771  -5.499
  124   1HD2  ASN  13          HD22      ASN  13  -7.590 -11.338  -3.169
  125   2HD2  ASN  13          HD21      ASN  13  -7.184  -9.804  -3.772
  126    H    GLU  14           HN       GLU  14  -9.530  -9.160  -5.935
  127    HA   GLU  14           HA       GLU  14 -10.369 -11.927  -6.705
  128   1HB   GLU  14           HB2      GLU  14 -11.140 -10.917  -4.517
  129   2HB   GLU  14           HB1      GLU  14 -12.039  -9.720  -5.450
  130   1HG   GLU  14           HG2      GLU  14 -13.508 -11.331  -6.339
  131   2HG   GLU  14           HG1      GLU  14 -12.427 -12.667  -5.945
  132    H    ASN  15           HN       ASN  15 -10.707  -8.643  -7.464
  133    HA   ASN  15           HA       ASN  15 -11.423  -9.027 -10.235
  134   1HB   ASN  15           HB2      ASN  15 -13.718  -9.183  -9.345
  135   2HB   ASN  15           HB1      ASN  15 -13.441  -7.777  -8.315
  136   1HD2  ASN  15          HD22      ASN  15 -15.180  -6.678 -11.469
  137   2HD2  ASN  15          HD21      ASN  15 -15.550  -7.813 -10.263
  138    H    ASN  16           HN       ASN  16 -11.539  -7.071  -7.421
  139    HA   ASN  16           HA       ASN  16  -9.304  -5.413  -8.094
  140   1HB   ASN  16           HB2      ASN  16 -11.242  -4.272  -9.322
  141   2HB   ASN  16           HB1      ASN  16 -11.992  -4.035  -7.742
  142   1HD2  ASN  16          HD22      ASN  16 -10.109  -1.116  -7.221
  143   2HD2  ASN  16          HD21      ASN  16 -11.595  -1.912  -7.073
  144    H    GLU  17           HN       GLU  17 -10.060  -7.418  -6.149
  145    HA   GLU  17           HA       GLU  17 -10.917  -5.869  -3.763
  146   1HB   GLU  17           HB2      GLU  17 -10.421  -8.785  -4.320
  147   2HB   GLU  17           HB1      GLU  17 -10.621  -8.194  -2.669
  148   1HG   GLU  17           HG2      GLU  17 -12.745  -8.994  -3.896
  149   2HG   GLU  17           HG1      GLU  17 -12.822  -7.437  -3.075
  150    H    ILE  18           HN       ILE  18  -9.304  -4.587  -3.032
  151    HA   ILE  18           HA       ILE  18  -6.544  -5.616  -2.843
  152    HB   ILE  18           HB       ILE  18  -6.378  -3.244  -1.593
  153   1HG1  ILE  18          HG12      ILE  18  -8.965  -3.102  -1.991
  154   2HG1  ILE  18          HG11      ILE  18  -7.969  -1.677  -2.246
  155   1HG2  ILE  18          HG21      ILE  18  -6.261  -4.030  -4.462
  156   2HG2  ILE  18          HG23      ILE  18  -6.141  -2.318  -4.073
  157   3HG2  ILE  18          HG22      ILE  18  -4.977  -3.462  -3.402
  158   1HD1  ILE  18          HD13      ILE  18  -8.452  -3.549  -4.544
  159   2HD1  ILE  18          HD12      ILE  18  -9.712  -2.403  -4.086
  160   3HD1  ILE  18          HD11      ILE  18  -8.121  -1.817  -4.571
  161    H    PHE  19           HN       PHE  19  -5.426  -5.809  -0.917
  162    HA   PHE  19           HA       PHE  19  -7.020  -6.540   1.449
  163   1HB   PHE  19           HB2      PHE  19  -4.965  -7.813   0.635
  164   2HB   PHE  19           HB1      PHE  19  -4.001  -6.437   1.171
  165    HD1  PHE  19           HD1      PHE  19  -6.737  -8.671   2.453
  166    HD2  PHE  19           HD2      PHE  19  -3.146  -6.484   3.328
  167    HE1  PHE  19           HE1      PHE  19  -6.760  -9.558   4.768
  168    HE2  PHE  19           HE2      PHE  19  -3.171  -7.368   5.645
  169    HZ   PHE  19           HZ       PHE  19  -4.977  -8.907   6.363
  170    H    ILE  20           HN       ILE  20  -7.225  -3.792   0.761
  171    HA   ILE  20           HA       ILE  20  -5.346  -2.226   2.316
  172    HB   ILE  20           HB       ILE  20  -6.355  -1.284   0.293
  173   1HG1  ILE  20          HG12      ILE  20  -7.166   0.857   1.255
  174   2HG1  ILE  20          HG11      ILE  20  -7.316   0.082   2.830
  175   1HG2  ILE  20          HG22      ILE  20  -8.602  -2.580   0.958
  176   2HG2  ILE  20          HG21      ILE  20  -8.999  -1.006   1.643
  177   3HG2  ILE  20          HG23      ILE  20  -8.626  -1.150  -0.074
  178   1HD1  ILE  20          HD13      ILE  20  -4.802  -0.520   2.523
  179   2HD1  ILE  20          HD12      ILE  20  -4.814   0.731   1.282
  180   3HD1  ILE  20          HD11      ILE  20  -5.218   1.137   2.950
  181    H    THR  21           HN       THR  21  -5.909  -0.880   4.068
  182    HA   THR  21           HA       THR  21  -7.458  -2.156   6.143
  183    HB   THR  21           HB       THR  21  -5.713  -0.712   6.852
  184    HG1  THR  21           HG1      THR  21  -6.899   0.187   8.317
  185   1HG2  THR  21          HG22      THR  21  -6.549   0.823   4.570
  186   2HG2  THR  21          HG21      THR  21  -6.465   1.872   5.985
  187   3HG2  THR  21          HG23      THR  21  -5.050   0.943   5.492
  188    H    ARG  22           HN       ARG  22  -9.596  -2.455   5.384
  189    HA   ARG  22           HA       ARG  22 -11.066  -0.034   4.495
  190   1HB   ARG  22           HB2      ARG  22 -11.145  -1.957   2.977
  191   2HB   ARG  22           HB1      ARG  22 -11.784  -2.969   4.276
  192   1HG   ARG  22           HG2      ARG  22 -13.611  -2.160   2.833
  193   2HG   ARG  22           HG1      ARG  22 -13.753  -1.485   4.457
  194   1HD   ARG  22           HD2      ARG  22 -12.597   0.573   3.685
  195   2HD   ARG  22           HD1      ARG  22 -12.542  -0.094   2.052
  196    HE   ARG  22           HE       ARG  22 -15.225  -0.209   2.696
  197   1HH1  ARG  22          HH21      ARG  22 -13.694   2.235   4.191
  198   2HH1  ARG  22          HH22      ARG  22 -14.366   3.528   3.258
  199   1HH2  ARG  22          HH11      ARG  22 -15.705   1.434   0.839
  200   2HH2  ARG  22          HH12      ARG  22 -15.503   3.076   1.351
  201    H    ARG  23           HN       ARG  23 -11.208   0.700   6.757
  202    HA   ARG  23           HA       ARG  23 -12.101   0.595   8.990
  203   1HB   ARG  23           HB2      ARG  23 -14.805   0.604   8.333
  204   2HB   ARG  23           HB1      ARG  23 -13.759   2.018   8.428
  205   1HG   ARG  23           HG2      ARG  23 -13.295   1.937   6.071
  206   2HG   ARG  23           HG1      ARG  23 -14.052   0.352   5.916
  207   1HD   ARG  23           HD2      ARG  23 -16.004   2.014   7.093
  208   2HD   ARG  23           HD1      ARG  23 -15.286   2.967   5.793
  209    HE   ARG  23           HE       ARG  23 -15.739   0.506   4.615
  210   1HH1  ARG  23          HH21      ARG  23 -17.988   0.221   6.585
  211   2HH1  ARG  23          HH22      ARG  23 -19.310   0.945   5.730
  212   1HH2  ARG  23          HH11      ARG  23 -17.282   2.558   3.425
  213   2HH2  ARG  23          HH12      ARG  23 -18.910   2.268   3.941
  214    H    ALA  24           HN       ALA  24 -11.425  -1.686   9.439
  215    HA   ALA  24           HA       ALA  24 -12.823  -4.013   8.948
  216   1HB   ALA  24           HB3      ALA  24 -11.155  -3.023  11.153
  217   2HB   ALA  24           HB2      ALA  24 -12.303  -4.265  11.653
  218   3HB   ALA  24           HB1      ALA  24 -11.150  -4.598  10.361
  219    H    ALA  25           HN       ALA  25 -13.591  -1.644  11.507
  220    HA   ALA  25           HA       ALA  25 -16.088  -3.022  12.179
  221   1HB   ALA  25           HB3      ALA  25 -14.462  -1.367  13.596
  222   2HB   ALA  25           HB2      ALA  25 -15.672  -0.211  13.042
  223   3HB   ALA  25           HB1      ALA  25 -16.163  -1.615  13.989
  224    H    ASP  26           HN       ASP  26 -18.211  -2.063  11.814
  225    HA   ASP  26           HA       ASP  26 -18.557  -0.981   9.190
  226   1HB   ASP  26           HB2      ASP  26 -20.249  -1.759  11.422
  227   2HB   ASP  26           HB1      ASP  26 -20.848  -0.287  10.657
  228    H    ALA  27           HN       ALA  27 -17.817   1.018   8.645
  229    HA   ALA  27           HA       ALA  27 -17.927   3.192  10.671
  230   1HB   ALA  27           HB3      ALA  27 -15.861   2.525   9.138
  231   2HB   ALA  27           HB2      ALA  27 -16.691   3.551   7.968
  232   3HB   ALA  27           HB1      ALA  27 -16.191   4.214   9.524
  233    H    HIS  28           HN       HIS  28 -18.940   5.202  10.177
  234    HA   HIS  28           HA       HIS  28 -21.257   4.983   8.406
  235   1HB   HIS  28           HB2      HIS  28 -20.597   6.515  10.663
  236   2HB   HIS  28           HB1      HIS  28 -20.675   7.679   9.340
  237    HD1  HIS  28           HD1      HIS  28 -22.940   7.572   7.829
  238    HD2  HIS  28           HD2      HIS  28 -23.083   5.666  11.567
  239    HE1  HIS  28           HE1      HIS  28 -25.400   7.203   8.389
  240    H    MET  29           HN       MET  29 -18.015   6.128   8.202
  241    HA   MET  29           HA       MET  29 -18.595   7.719   5.761
  242   1HB   MET  29           HB2      MET  29 -16.135   7.386   7.493
  243   2HB   MET  29           HB1      MET  29 -16.088   8.217   5.938
  244   1HG   MET  29           HG2      MET  29 -16.438   9.927   7.566
  245   2HG   MET  29           HG1      MET  29 -18.010   9.663   6.815
  246   1HE   MET  29           HE2      MET  29 -15.753   9.701   9.421
  247   2HE   MET  29           HE1      MET  29 -16.904  10.318  10.604
  248   3HE   MET  29           HE3      MET  29 -16.268   8.676  10.758
  249    H    ALA  30           HN       ALA  30 -16.254   7.291   4.319
  250    HA   ALA  30           HA       ALA  30 -15.862   4.398   4.004
  251   1HB   ALA  30           HB1      ALA  30 -18.020   5.286   2.722
  252   2HB   ALA  30           HB3      ALA  30 -16.812   5.773   1.533
  253   3HB   ALA  30           HB2      ALA  30 -16.955   4.078   2.002
  254    H    ASN  31           HN       ASN  31 -14.397   7.126   4.297
  255    HA   ASN  31           HA       ASN  31 -12.649   6.928   1.895
  256   1HB   ASN  31           HB2      ASN  31 -12.323   8.970   4.084
  257   2HB   ASN  31           HB1      ASN  31 -11.921   9.107   2.371
  258   1HD2  ASN  31          HD22      ASN  31 -15.206  10.872   3.208
  259   2HD2  ASN  31          HD21      ASN  31 -13.693  10.912   3.975
  260    H    LYS  32           HN       LYS  32 -12.818   5.148   4.445
  261    HA   LYS  32           HA       LYS  32 -10.203   5.539   5.684
  262   1HB   LYS  32           HB2      LYS  32 -12.435   4.480   6.658
  263   2HB   LYS  32           HB1      LYS  32 -11.731   2.996   6.012
  264   1HG   LYS  32           HG2      LYS  32  -9.657   4.445   7.330
  265   2HG   LYS  32           HG1      LYS  32 -11.042   4.370   8.419
  266   1HD   LYS  32           HD2      LYS  32 -11.160   1.942   8.142
  267   2HD   LYS  32           HD1      LYS  32  -9.821   1.990   6.996
  268   1HE   LYS  32           HE2      LYS  32  -9.014   1.341   9.223
  269   2HE   LYS  32           HE1      LYS  32  -8.356   2.912   8.767
  270   1HZ   LYS  32           HZ2      LYS  32 -10.837   2.640  10.357
  271   2HZ   LYS  32           HZ1      LYS  32  -9.302   2.714  11.082
  272   3HZ   LYS  32           HZ3      LYS  32  -9.865   4.019  10.155
  273    H    LEU  33           HN       LEU  33  -9.977   5.120   2.846
  274    HA   LEU  33           HA       LEU  33  -8.811   2.370   2.754
  275   1HB   LEU  33           HB2      LEU  33  -9.807   4.248   0.610
  276   2HB   LEU  33           HB1      LEU  33  -8.780   2.872   0.222
  277    HG   LEU  33           HG       LEU  33 -11.473   2.795   1.602
  278   1HD1  LEU  33          HD13      LEU  33 -11.187   3.042  -0.981
  279   2HD1  LEU  33          HD12      LEU  33 -10.641   1.366  -0.923
  280   3HD1  LEU  33          HD11      LEU  33 -12.265   1.783  -0.377
  281   1HD2  LEU  33          HD22      LEU  33  -9.251   0.811   1.371
  282   2HD2  LEU  33          HD21      LEU  33 -10.431   1.024   2.664
  283   3HD2  LEU  33          HD23      LEU  33 -10.896   0.208   1.170
  284    H    GLU  34           HN       GLU  34  -6.802   2.853   3.751
  285    HA   GLU  34           HA       GLU  34  -5.166   5.034   2.609
  286   1HB   GLU  34           HB2      GLU  34  -5.349   4.463   5.121
  287   2HB   GLU  34           HB1      GLU  34  -4.307   3.087   4.754
  288   1HG   GLU  34           HG2      GLU  34  -2.732   4.778   3.640
  289   2HG   GLU  34           HG1      GLU  34  -3.690   6.028   4.435
  290    H    PHE  35           HN       PHE  35  -2.885   2.915   3.519
  291    HA   PHE  35           HA       PHE  35  -2.963   1.129   1.210
  292   1HB   PHE  35           HB2      PHE  35  -1.073   3.476   1.357
  293   2HB   PHE  35           HB1      PHE  35  -0.686   2.033   0.417
  294    HD1  PHE  35           HD1      PHE  35  -3.181   1.181  -0.727
  295    HD2  PHE  35           HD2      PHE  35  -1.736   5.178  -0.108
  296    HE1  PHE  35           HE1      PHE  35  -4.632   1.990  -2.568
  297    HE2  PHE  35           HE2      PHE  35  -3.184   5.987  -1.951
  298    HZ   PHE  35           HZ       PHE  35  -4.634   4.393  -3.180
  299    HA   PRO  36           HA       PRO  36  -0.854  -1.297   4.224
  300   1HB   PRO  36           HB2      PRO  36   0.099  -3.111   2.236
  301   2HB   PRO  36           HB1      PRO  36  -1.336  -3.284   3.251
  302   1HG   PRO  36           HG2      PRO  36  -1.206  -2.647   0.411
  303   2HG   PRO  36           HG1      PRO  36  -2.623  -3.043   1.393
  304   1HD   PRO  36           HD2      PRO  36  -1.914  -0.480   0.382
  305   2HD   PRO  36           HD1      PRO  36  -3.217  -0.844   1.536
  306    H    GLY  37           HN       GLY  37   0.832   0.310   4.633
  307   1HA   GLY  37           HA2      GLY  37   3.024   0.909   2.979
  308   2HA   GLY  37           HA1      GLY  37   3.070   0.983   4.736
  309    H    GLY  38           HN       GLY  38   5.302   0.256   4.502
  310   1HA   GLY  38           HA2      GLY  38   5.843  -2.350   5.209
  311   2HA   GLY  38           HA1      GLY  38   5.913  -2.374   3.448
  312    H    LYS  39           HN       LYS  39   6.846   0.445   3.368
  313    HA   LYS  39           HA       LYS  39   8.836   1.669   3.440
  314   1HB   LYS  39           HB2      LYS  39   8.885   1.321   5.833
  315   2HB   LYS  39           HB1      LYS  39   9.530  -0.305   5.626
  316   1HG   LYS  39           HG2      LYS  39  11.398   1.110   6.123
  317   2HG   LYS  39           HG1      LYS  39  11.494   0.730   4.408
  318   1HD   LYS  39           HD2      LYS  39   9.899   2.987   4.441
  319   2HD   LYS  39           HD1      LYS  39  11.071   3.318   5.717
  320   1HE   LYS  39           HE2      LYS  39  12.404   2.138   3.442
  321   2HE   LYS  39           HE1      LYS  39  11.476   3.544   2.931
  322   1HZ   LYS  39           HZ3      LYS  39  12.516   4.705   4.905
  323   2HZ   LYS  39           HZ2      LYS  39  13.599   3.398   4.984
  324   3HZ   LYS  39           HZ1      LYS  39  13.541   4.375   3.595
  325    H    ILE  40           HN       ILE  40   9.737   1.251   1.448
  326    HA   ILE  40           HA       ILE  40  11.052  -1.329   0.943
  327    HB   ILE  40           HB       ILE  40  10.284  -0.679  -1.092
  328   1HG1  ILE  40          HG12      ILE  40  12.940  -0.489  -0.991
  329   2HG1  ILE  40          HG11      ILE  40  12.060  -0.109  -2.468
  330   1HG2  ILE  40          HG21      ILE  40  10.523   2.121  -0.031
  331   2HG2  ILE  40          HG23      ILE  40  10.269   1.844  -1.753
  332   3HG2  ILE  40          HG22      ILE  40   9.084   1.263  -0.583
  333   1HD1  ILE  40          HD11      ILE  40  12.355   2.141  -0.562
  334   2HD1  ILE  40          HD13      ILE  40  13.858   1.575  -1.291
  335   3HD1  ILE  40          HD12      ILE  40  12.532   2.124  -2.317
  336    H    GLU  41           HN       GLU  41  13.185  -1.733   1.190
  337    HA   GLU  41           HA       GLU  41  15.223   0.294   1.094
  338   1HB   GLU  41           HB2      GLU  41  15.773   0.568   3.378
  339   2HB   GLU  41           HB1      GLU  41  14.017   0.717   3.333
  340   1HG   GLU  41           HG2      GLU  41  13.790  -1.650   3.983
  341   2HG   GLU  41           HG1      GLU  41  15.547  -1.812   4.020
  342    H    MET  42           HN       MET  42  14.214  -2.922   2.122
  343    HA   MET  42           HA       MET  42  16.706  -4.144   2.566
  344   1HB   MET  42           HB2      MET  42  14.346  -5.376   1.112
  345   2HB   MET  42           HB1      MET  42  15.628  -6.246   1.955
  346   1HG   MET  42           HG2      MET  42  14.175  -4.183   3.528
  347   2HG   MET  42           HG1      MET  42  13.274  -5.645   3.124
  348   1HE   MET  42           HE3      MET  42  15.239  -3.887   5.407
  349   2HE   MET  42           HE2      MET  42  16.319  -4.964   6.289
  350   3HE   MET  42           HE1      MET  42  16.777  -4.384   4.690
  351    H    GLY  43           HN       GLY  43  17.955  -5.560   1.068
  352   1HA   GLY  43           HA2      GLY  43  19.265  -5.749  -0.873
  353   2HA   GLY  43           HA1      GLY  43  17.730  -5.590  -1.732
  354    H    GLU  44           HN       GLU  44  17.756  -3.975  -3.155
  355    HA   GLU  44           HA       GLU  44  18.503  -1.277  -2.439
  356   1HB   GLU  44           HB2      GLU  44  20.586  -2.983  -3.436
  357   2HB   GLU  44           HB1      GLU  44  20.217  -1.773  -4.665
  358   1HG   GLU  44           HG2      GLU  44  20.960  -1.269  -1.773
  359   2HG   GLU  44           HG1      GLU  44  21.895  -0.836  -3.204
  360    H    THR  45           HN       THR  45  16.388  -2.990  -3.753
  361    HA   THR  45           HA       THR  45  15.819  -1.157  -5.991
  362    HB   THR  45           HB       THR  45  16.128  -4.165  -6.326
  363    HG1  THR  45           HG1      THR  45  18.047  -3.552  -6.865
  364   1HG2  THR  45          HG22      THR  45  14.176  -2.916  -7.541
  365   2HG2  THR  45          HG21      THR  45  15.460  -2.237  -8.538
  366   3HG2  THR  45          HG23      THR  45  15.219  -3.982  -8.480
  367    HA   PRO  46           HA       PRO  46  11.772  -1.513  -4.287
  368   1HB   PRO  46           HB2      PRO  46  10.638  -1.739  -6.969
  369   2HB   PRO  46           HB1      PRO  46  10.470  -0.428  -5.794
  370   1HG   PRO  46           HG2      PRO  46  12.060  -0.384  -8.155
  371   2HG   PRO  46           HG1      PRO  46  12.058   0.822  -6.861
  372   1HD   PRO  46           HD2      PRO  46  14.142  -1.058  -7.516
  373   2HD   PRO  46           HD1      PRO  46  14.137   0.153  -6.221
  374    H    GLU  47           HN       GLU  47  13.108  -3.911  -6.428
  375    HA   GLU  47           HA       GLU  47  10.853  -5.753  -6.162
  376   1HB   GLU  47           HB2      GLU  47  13.361  -5.658  -7.627
  377   2HB   GLU  47           HB1      GLU  47  13.175  -7.218  -6.825
  378   1HG   GLU  47           HG2      GLU  47  11.104  -7.648  -7.899
  379   2HG   GLU  47           HG1      GLU  47  10.932  -5.970  -8.415
  380    H    GLN  48           HN       GLN  48  14.261  -6.289  -5.124
  381    HA   GLN  48           HA       GLN  48  13.575  -8.177  -3.135
  382   1HB   GLN  48           HB2      GLN  48  15.941  -6.375  -3.530
  383   2HB   GLN  48           HB1      GLN  48  15.765  -7.264  -2.004
  384   1HG   GLN  48           HG2      GLN  48  15.203  -9.253  -3.741
  385   2HG   GLN  48           HG1      GLN  48  16.310  -8.303  -4.734
  386   1HE2  GLN  48          HE22      GLN  48  17.719 -10.166  -1.360
  387   2HE2  GLN  48          HE21      GLN  48  16.047  -9.979  -1.584
  388    H    ALA  49           HN       ALA  49  13.580  -4.693  -3.060
  389    HA   ALA  49           HA       ALA  49  13.391  -4.381  -0.222
  390   1HB   ALA  49           HB1      ALA  49  13.263  -2.681  -2.557
  391   2HB   ALA  49           HB3      ALA  49  11.989  -2.251  -1.419
  392   3HB   ALA  49           HB2      ALA  49  13.673  -2.254  -0.898
  393    H    VAL  50           HN       VAL  50  10.791  -3.962  -2.661
  394    HA   VAL  50           HA       VAL  50   8.729  -4.091  -0.665
  395    HB   VAL  50           HB       VAL  50   8.658  -3.105  -3.064
  396   1HG1  VAL  50          HG12      VAL  50   9.250  -5.250  -4.201
  397   2HG1  VAL  50          HG11      VAL  50   7.748  -5.951  -3.609
  398   3HG1  VAL  50          HG13      VAL  50   7.706  -4.609  -4.751
  399   1HG2  VAL  50          HG21      VAL  50   6.640  -4.269  -1.332
  400   2HG2  VAL  50          HG23      VAL  50   6.601  -2.754  -2.233
  401   3HG2  VAL  50          HG22      VAL  50   6.119  -4.259  -3.018
  402    H    VAL  51           HN       VAL  51   9.858  -6.444  -3.006
  403    HA   VAL  51           HA       VAL  51   8.138  -8.581  -2.432
  404    HB   VAL  51           HB       VAL  51   9.998  -8.244  -4.253
  405   1HG1  VAL  51          HG13      VAL  51  11.822  -8.164  -2.536
  406   2HG1  VAL  51          HG12      VAL  51  11.507  -9.863  -2.193
  407   3HG1  VAL  51          HG11      VAL  51  12.077  -9.375  -3.789
  408   1HG2  VAL  51          HG23      VAL  51   8.394 -10.206  -3.941
  409   2HG2  VAL  51          HG22      VAL  51   9.907 -10.562  -4.776
  410   3HG2  VAL  51          HG21      VAL  51   9.707 -11.011  -3.082
  411    H    ARG  52           HN       ARG  52  11.231  -7.720  -0.882
  412    HA   ARG  52           HA       ARG  52  11.128  -9.987   0.946
  413   1HB   ARG  52           HB2      ARG  52  12.837  -7.479   0.940
  414   2HB   ARG  52           HB1      ARG  52  13.088  -8.851   2.003
  415   1HG   ARG  52           HG2      ARG  52  12.923  -9.347  -0.940
  416   2HG   ARG  52           HG1      ARG  52  14.414  -8.675  -0.279
  417   1HD   ARG  52           HD2      ARG  52  13.440 -10.855   1.373
  418   2HD   ARG  52           HD1      ARG  52  13.657 -11.380  -0.296
  419    HE   ARG  52           HE       ARG  52  15.985  -9.982   0.270
  420   1HH1  ARG  52          HH21      ARG  52  15.411 -10.904   3.112
  421   2HH1  ARG  52          HH22      ARG  52  16.289 -12.397   3.168
  422   1HH2  ARG  52          HH11      ARG  52  16.620 -12.642  -0.279
  423   2HH2  ARG  52          HH12      ARG  52  16.974 -13.382   1.247
  424    H    GLU  53           HN       GLU  53  10.115  -6.655   0.864
  425    HA   GLU  53           HA       GLU  53   9.455  -6.486   3.699
  426   1HB   GLU  53           HB2      GLU  53   8.546  -4.815   1.344
  427   2HB   GLU  53           HB1      GLU  53   8.230  -4.437   3.038
  428   1HG   GLU  53           HG2      GLU  53  11.052  -4.986   2.324
  429   2HG   GLU  53           HG1      GLU  53  10.364  -3.487   1.696
  430    H    LEU  54           HN       LEU  54   8.224  -7.986   0.970
  431    HA   LEU  54           HA       LEU  54   5.395  -7.897   1.640
  432   1HB   LEU  54           HB2      LEU  54   7.114  -8.848  -0.516
  433   2HB   LEU  54           HB1      LEU  54   5.871 -10.025  -0.113
  434    HG   LEU  54           HG       LEU  54   4.965  -8.556  -1.800
  435   1HD1  LEU  54          HD12      LEU  54   3.887  -8.772   0.837
  436   2HD1  LEU  54          HD11      LEU  54   3.511  -7.161   0.226
  437   3HD1  LEU  54          HD13      LEU  54   3.016  -8.587  -0.685
  438   1HD2  LEU  54          HD21      LEU  54   6.062  -6.402   0.017
  439   2HD2  LEU  54          HD23      LEU  54   6.346  -6.634  -1.709
  440   3HD2  LEU  54          HD22      LEU  54   4.782  -6.047  -1.144
  441    H    GLN  55           HN       GLN  55   7.838 -10.469   1.500
  442    HA   GLN  55           HA       GLN  55   6.285 -12.433   2.888
  443   1HB   GLN  55           HB2      GLN  55   8.730 -13.357   3.364
  444   2HB   GLN  55           HB1      GLN  55   8.035 -13.432   1.749
  445   1HG   GLN  55           HG2      GLN  55   9.505 -11.916   0.917
  446   2HG   GLN  55           HG1      GLN  55   9.402 -10.884   2.347
  447   1HE2  GLN  55          HE22      GLN  55  12.057 -14.035   2.485
  448   2HE2  GLN  55          HE21      GLN  55  10.613 -14.218   1.612
  449    H    GLU  56           HN       GLU  56   8.764 -10.154   4.056
  450    HA   GLU  56           HA       GLU  56   8.971 -11.166   6.678
  451   1HB   GLU  56           HB2      GLU  56   9.664  -8.809   7.292
  452   2HB   GLU  56           HB1      GLU  56  10.550  -9.534   5.953
  453   1HG   GLU  56           HG2      GLU  56  10.069  -7.543   4.978
  454   2HG   GLU  56           HG1      GLU  56   8.570  -8.369   4.559
  455    H    GLU  57           HN       GLU  57   6.327  -9.304   5.293
  456    HA   GLU  57           HA       GLU  57   5.307  -8.536   7.927
  457   1HB   GLU  57           HB2      GLU  57   3.530  -8.517   5.519
  458   2HB   GLU  57           HB1      GLU  57   3.658  -7.350   6.829
  459   1HG   GLU  57           HG2      GLU  57   6.171  -7.304   5.646
  460   2HG   GLU  57           HG1      GLU  57   5.063  -7.439   4.284
  461    H    VAL  58           HN       VAL  58   3.329 -10.238   5.503
  462    HA   VAL  58           HA       VAL  58   2.090 -11.801   7.623
  463    HB   VAL  58           HB       VAL  58   1.747 -11.755   4.620
  464   1HG1  VAL  58          HG13      VAL  58   1.072 -13.844   6.307
  465   2HG1  VAL  58          HG12      VAL  58  -0.415 -12.900   6.208
  466   3HG1  VAL  58          HG11      VAL  58   0.342 -13.511   4.736
  467   1HG2  VAL  58          HG22      VAL  58   0.205 -10.608   6.958
  468   2HG2  VAL  58          HG21      VAL  58   0.961  -9.724   5.632
  469   3HG2  VAL  58          HG23      VAL  58  -0.466 -10.716   5.330
  470    H    GLY  59           HN       GLY  59   3.177 -13.115   4.490
  471   1HA   GLY  59           HA2      GLY  59   5.339 -14.598   4.888
  472   2HA   GLY  59           HA1      GLY  59   4.255 -15.437   5.994
  473    H    ILE  60           HN       ILE  60   3.202 -14.072   2.892
  474    HA   ILE  60           HA       ILE  60   2.442 -16.827   2.080
  475    HB   ILE  60           HB       ILE  60   1.125 -15.711   0.299
  476   1HG1  ILE  60          HG12      ILE  60   1.098 -13.037   1.050
  477   2HG1  ILE  60          HG11      ILE  60   2.807 -13.479   1.121
  478   1HG2  ILE  60          HG21      ILE  60   0.757 -15.320   3.168
  479   2HG2  ILE  60          HG23      ILE  60  -0.028 -14.053   2.224
  480   3HG2  ILE  60          HG22      ILE  60  -0.427 -15.744   1.931
  481   1HD1  ILE  60          HD11      ILE  60   1.237 -14.410  -1.241
  482   2HD1  ILE  60          HD13      ILE  60   1.668 -12.703  -1.170
  483   3HD1  ILE  60          HD12      ILE  60   2.932 -13.932  -1.142
  484    H    THR  61           HN       THR  61   2.542 -16.351  -0.782
  485    HA   THR  61           HA       THR  61   5.448 -15.852  -1.191
  486    HB   THR  61           HB       THR  61   3.945 -18.375  -1.830
  487    HG1  THR  61           HG1      THR  61   5.300 -18.139   0.014
  488   1HG2  THR  61          HG21      THR  61   5.823 -17.003  -3.597
  489   2HG2  THR  61          HG23      THR  61   6.424 -18.581  -3.095
  490   3HG2  THR  61          HG22      THR  61   4.865 -18.450  -3.903
  491    HA   PRO  62           HA       PRO  62   3.518 -15.420  -5.569
  492   1HB   PRO  62           HB2      PRO  62   0.696 -15.754  -5.526
  493   2HB   PRO  62           HB1      PRO  62   1.885 -16.818  -6.282
  494   1HG   PRO  62           HG2      PRO  62   0.381 -17.242  -3.810
  495   2HG   PRO  62           HG1      PRO  62   1.317 -18.407  -4.757
  496   1HD   PRO  62           HD2      PRO  62   2.090 -17.319  -2.276
  497   2HD   PRO  62           HD1      PRO  62   3.135 -18.192  -3.400
  498    H    GLN  63           HN       GLN  63   1.540 -13.903  -6.400
  499    HA   GLN  63           HA       GLN  63   0.007 -12.103  -5.222
  500   1HB   GLN  63           HB2      GLN  63   1.438 -10.233  -4.364
  501   2HB   GLN  63           HB1      GLN  63   1.565 -11.682  -3.368
  502   1HG   GLN  63           HG2      GLN  63   3.721 -12.109  -4.032
  503   2HG   GLN  63           HG1      GLN  63   3.461 -11.458  -5.646
  504   1HE2  GLN  63          HE22      GLN  63   5.629  -9.022  -3.860
  505   2HE2  GLN  63          HE21      GLN  63   5.773 -10.637  -4.363
  506    H    HIS  64           HN       HIS  64   2.781 -12.621  -7.219
  507    HA   HIS  64           HA       HIS  64   3.520 -11.543  -9.186
  508   1HB   HIS  64           HB2      HIS  64   0.850 -12.386  -9.365
  509   2HB   HIS  64           HB1      HIS  64   0.875 -10.776 -10.092
  510    HD1  HIS  64           HD1      HIS  64   2.675 -14.138 -10.324
  511    HD2  HIS  64           HD2      HIS  64   2.019 -10.696 -12.635
  512    HE1  HIS  64           HE1      HIS  64   3.637 -14.595 -12.640
  513    H    PHE  65           HN       PHE  65   4.267  -9.766  -7.672
  514    HA   PHE  65           HA       PHE  65   2.696  -7.385  -7.335
  515   1HB   PHE  65           HB2      PHE  65   4.815  -6.375  -6.584
  516   2HB   PHE  65           HB1      PHE  65   4.584  -7.978  -5.879
  517    HD1  PHE  65           HD2      PHE  65   5.935  -9.883  -6.603
  518    HD2  PHE  65           HD1      PHE  65   6.483  -5.989  -8.332
  519    HE1  PHE  65           HE2      PHE  65   8.076 -10.631  -7.608
  520    HE2  PHE  65           HE1      PHE  65   8.623  -6.738  -9.338
  521    HZ   PHE  65           HZ       PHE  65   9.419  -9.058  -8.975
  522    H    SER  66           HN       SER  66   2.856  -5.406  -8.389
  523    HA   SER  66           HA       SER  66   4.429  -5.231 -10.897
  524   1HB   SER  66           HB2      SER  66   1.621  -5.745 -10.836
  525   2HB   SER  66           HB1      SER  66   1.841  -4.079 -11.358
  526    HG   SER  66           HG       SER  66   1.934  -5.762 -13.033
  527    H    LEU  67           HN       LEU  67   4.993  -3.029 -11.336
  528    HA   LEU  67           HA       LEU  67   4.965  -1.286  -9.065
  529   1HB   LEU  67           HB2      LEU  67   6.634  -1.299 -11.010
  530   2HB   LEU  67           HB1      LEU  67   5.425  -0.404 -11.920
  531    HG   LEU  67           HG       LEU  67   7.315   0.863 -10.555
  532   1HD1  LEU  67          HD13      LEU  67   4.830   1.537 -11.619
  533   2HD1  LEU  67          HD12      LEU  67   4.791   2.210  -9.990
  534   3HD1  LEU  67          HD11      LEU  67   6.082   2.667 -11.102
  535   1HD2  LEU  67          HD21      LEU  67   6.422  -0.371  -8.423
  536   2HD2  LEU  67          HD23      LEU  67   6.858   1.331  -8.311
  537   3HD2  LEU  67          HD22      LEU  67   5.165   0.862  -8.453
  538    H    PHE  68           HN       PHE  68   3.542  -0.570 -12.227
  539    HA   PHE  68           HA       PHE  68   1.472   0.323 -12.821
  540   1HB   PHE  68           HB2      PHE  68  -0.112  -0.451 -11.416
  541   2HB   PHE  68           HB1      PHE  68   0.995  -0.488 -10.058
  542    HD1  PHE  68           HD1      PHE  68  -0.950   1.928 -12.157
  543    HD2  PHE  68           HD2      PHE  68   0.656   1.017  -8.278
  544    HE1  PHE  68           HE1      PHE  68  -2.071   3.931 -11.223
  545    HE2  PHE  68           HE2      PHE  68  -0.467   3.022  -7.345
  546    HZ   PHE  68           HZ       PHE  68  -1.829   4.478  -8.817
  547    H    GLU  69           HN       GLU  69   2.882   1.795  -9.884
  548    HA   GLU  69           HA       GLU  69   3.891   4.088 -11.062
  549   1HB   GLU  69           HB2      GLU  69   1.023   4.120 -11.119
  550   2HB   GLU  69           HB1      GLU  69   1.575   5.370 -10.003
  551   1HG   GLU  69           HG2      GLU  69   3.333   5.695 -12.076
  552   2HG   GLU  69           HG1      GLU  69   1.874   5.199 -12.935
  553    H    LYS  70           HN       LYS  70   3.805   6.030  -9.353
  554    HA   LYS  70           HA       LYS  70   3.519   5.134  -6.580
  555   1HB   LYS  70           HB2      LYS  70   5.941   5.525  -6.070
  556   2HB   LYS  70           HB1      LYS  70   5.675   4.130  -7.113
  557   1HG   LYS  70           HG2      LYS  70   6.082   5.648  -9.093
  558   2HG   LYS  70           HG1      LYS  70   6.580   6.896  -7.951
  559   1HD   LYS  70           HD2      LYS  70   7.823   4.136  -8.054
  560   2HD   LYS  70           HD1      LYS  70   8.488   5.537  -8.895
  561   1HE   LYS  70           HE2      LYS  70   8.057   6.497  -6.332
  562   2HE   LYS  70           HE1      LYS  70   8.607   4.846  -6.050
  563   1HZ   LYS  70           HZ1      LYS  70  10.350   5.538  -7.873
  564   2HZ   LYS  70           HZ3      LYS  70  10.015   7.093  -7.282
  565   3HZ   LYS  70           HZ2      LYS  70  10.597   5.895  -6.229
  566    H    LEU  71           HN       LEU  71   3.903   6.962  -5.080
  567    HA   LEU  71           HA       LEU  71   3.828   9.575  -6.530
  568   1HB   LEU  71           HB2      LEU  71   2.517  10.394  -4.508
  569   2HB   LEU  71           HB1      LEU  71   1.673   9.247  -5.545
  570    HG   LEU  71           HG       LEU  71   2.297   7.407  -3.999
  571   1HD1  LEU  71          HD11      LEU  71   3.789   9.643  -2.696
  572   2HD1  LEU  71          HD13      LEU  71   3.053   8.432  -1.647
  573   3HD1  LEU  71          HD12      LEU  71   4.234   7.945  -2.862
  574   1HD2  LEU  71          HD23      LEU  71   0.554   9.661  -3.398
  575   2HD2  LEU  71          HD22      LEU  71   0.269   7.938  -3.149
  576   3HD2  LEU  71          HD21      LEU  71   1.114   8.879  -1.920
  577    H    GLU  72           HN       GLU  72   4.238  11.369  -4.695
  578    HA   GLU  72           HA       GLU  72   6.363  10.633  -2.817
  579   1HB   GLU  72           HB2      GLU  72   7.213  11.247  -5.350
  580   2HB   GLU  72           HB1      GLU  72   7.207  12.843  -4.596
  581   1HG   GLU  72           HG2      GLU  72   8.651  12.086  -2.816
  582   2HG   GLU  72           HG1      GLU  72   8.514  10.409  -3.345
  583    H    TYR  73           HN       TYR  73   4.869  11.486  -1.299
  584    HA   TYR  73           HA       TYR  73   3.799  14.171  -1.638
  585   1HB   TYR  73           HB2      TYR  73   3.075  11.960  -0.131
  586   2HB   TYR  73           HB1      TYR  73   3.760  13.044   1.079
  587    HD1  TYR  73           HD1      TYR  73   2.887  15.517  -0.910
  588    HD2  TYR  73           HD2      TYR  73   0.898  12.269   1.083
  589    HE1  TYR  73           HE1      TYR  73   0.771  16.803  -0.915
  590    HE2  TYR  73           HE2      TYR  73  -1.212  13.564   1.084
  591    HH   TYR  73           HH       TYR  73  -1.343  16.868   0.408
  592    H    GLU  74           HN       GLU  74   4.861  16.014  -1.032
  593    HA   GLU  74           HA       GLU  74   7.373  15.644   0.492
  594   1HB   GLU  74           HB2      GLU  74   6.889  17.063  -1.804
  595   2HB   GLU  74           HB1      GLU  74   6.757  18.326  -0.580
  596   1HG   GLU  74           HG2      GLU  74   8.964  17.306   0.367
  597   2HG   GLU  74           HG1      GLU  74   9.116  16.574  -1.232
  598    H    PHE  75           HN       PHE  75   7.585  16.483   2.531
  599    HA   PHE  75           HA       PHE  75   5.304  18.125   3.553
  600   1HB   PHE  75           HB2      PHE  75   6.739  15.770   4.625
  601   2HB   PHE  75           HB1      PHE  75   6.468  17.054   5.800
  602    HD1  PHE  75           HD2      PHE  75   3.912  18.211   4.851
  603    HD2  PHE  75           HD1      PHE  75   5.148  14.108   5.153
  604    HE1  PHE  75           HE2      PHE  75   1.543  17.513   5.046
  605    HE2  PHE  75           HE1      PHE  75   2.775  13.410   5.347
  606    HZ   PHE  75           HZ       PHE  75   0.973  15.112   5.294
  607    HA   PRO  76           HA       PRO  76   7.831  21.454   4.857
  608   1HB   PRO  76           HB2      PRO  76   7.762  20.877   7.720
  609   2HB   PRO  76           HB1      PRO  76   6.999  22.208   6.836
  610   1HG   PRO  76           HG2      PRO  76   5.715  19.878   7.915
  611   2HG   PRO  76           HG1      PRO  76   4.972  21.170   6.961
  612   1HD   PRO  76           HD2      PRO  76   5.439  18.474   6.140
  613   2HD   PRO  76           HD1      PRO  76   4.831  19.807   5.142
  614    H    ASP  77           HN       ASP  77   8.499  18.557   6.845
  615    HA   ASP  77           HA       ASP  77  11.361  18.788   6.079
  616   1HB   ASP  77           HB2      ASP  77  12.130  18.532   8.346
  617   2HB   ASP  77           HB1      ASP  77  10.974  19.863   8.355
  618    H    ARG  78           HN       ARG  78   9.159  17.063   5.259
  619    HA   ARG  78           HA       ARG  78  10.351  14.458   6.064
  620   1HB   ARG  78           HB2      ARG  78   7.740  15.437   6.785
  621   2HB   ARG  78           HB1      ARG  78   7.570  14.040   5.719
  622   1HG   ARG  78           HG2      ARG  78   7.706  13.193   7.961
  623   2HG   ARG  78           HG1      ARG  78   9.252  12.844   7.192
  624   1HD   ARG  78           HD2      ARG  78  10.322  14.028   8.774
  625   2HD   ARG  78           HD1      ARG  78   9.401  15.463   8.330
  626    HE   ARG  78           HE       ARG  78   9.068  14.289  10.771
  627   1HH1  ARG  78          HH21      ARG  78   7.109  15.769   8.541
  628   2HH1  ARG  78          HH22      ARG  78   5.614  15.129   9.139
  629   1HH2  ARG  78          HH11      ARG  78   7.136  12.886  11.302
  630   2HH2  ARG  78          HH12      ARG  78   5.630  13.496  10.702
  631    H    HIS  79           HN       HIS  79  11.297  14.258   3.971
  632    HA   HIS  79           HA       HIS  79   9.599  14.490   1.577
  633   1HB   HIS  79           HB2      HIS  79  12.471  13.636   2.035
  634   2HB   HIS  79           HB1      HIS  79  11.702  13.561   0.450
  635    HD1  HIS  79           HD1      HIS  79  13.570  15.396  -0.234
  636    HD2  HIS  79           HD2      HIS  79  10.620  16.665   2.470
  637    HE1  HIS  79           HE1      HIS  79  13.632  17.944  -0.198
  638    H    ILE  80           HN       ILE  80   7.999  12.861   1.898
  639    HA   ILE  80           HA       ILE  80   8.962  10.101   2.393
  640    HB   ILE  80           HB       ILE  80   6.195  11.341   2.387
  641   1HG1  ILE  80          HG12      ILE  80   6.278  11.247   4.670
  642   2HG1  ILE  80          HG11      ILE  80   7.246   9.783   4.686
  643   1HG2  ILE  80          HG21      ILE  80   7.010   8.443   2.735
  644   2HG2  ILE  80          HG23      ILE  80   5.408   9.091   3.060
  645   3HG2  ILE  80          HG22      ILE  80   6.037   9.108   1.422
  646   1HD1  ILE  80          HD11      ILE  80   8.275  12.560   4.048
  647   2HD1  ILE  80          HD13      ILE  80   8.514  11.711   5.573
  648   3HD1  ILE  80          HD12      ILE  80   9.252  11.093   4.094
  649    H    THR  81           HN       THR  81   8.004   8.339   1.134
  650    HA   THR  81           HA       THR  81   7.160   9.012  -1.630
  651    HB   THR  81           HB       THR  81   9.138   6.794  -1.227
  652    HG1  THR  81           HG1      THR  81  10.172   9.253  -1.954
  653   1HG2  THR  81          HG22      THR  81   8.090   8.504  -3.428
  654   2HG2  THR  81          HG21      THR  81   9.763   7.963  -3.562
  655   3HG2  THR  81          HG23      THR  81   8.463   6.780  -3.421
  656    H    LEU  82           HN       LEU  82   6.305   6.857  -2.660
  657    HA   LEU  82           HA       LEU  82   5.609   4.796  -0.688
  658   1HB   LEU  82           HB2      LEU  82   3.937   6.926  -0.738
  659   2HB   LEU  82           HB1      LEU  82   3.200   5.922  -1.988
  660    HG   LEU  82           HG       LEU  82   3.849   4.149   0.092
  661   1HD1  LEU  82          HD11      LEU  82   2.677   6.751   1.112
  662   2HD1  LEU  82          HD13      LEU  82   2.583   5.229   1.997
  663   3HD1  LEU  82          HD12      LEU  82   4.153   5.958   1.661
  664   1HD2  LEU  82          HD23      LEU  82   1.378   5.382  -1.065
  665   2HD2  LEU  82          HD22      LEU  82   1.881   3.691  -1.043
  666   3HD2  LEU  82          HD21      LEU  82   1.217   4.433   0.413
  667    H    TRP  83           HN       TRP  83   6.746   3.492  -2.266
  668    HA   TRP  83           HA       TRP  83   6.031   3.288  -5.025
  669   1HB   TRP  83           HB2      TRP  83   7.085   1.185  -3.111
  670   2HB   TRP  83           HB1      TRP  83   6.960   0.954  -4.855
  671    HD1  TRP  83           HD1      TRP  83   8.683   3.240  -2.286
  672    HE1  TRP  83           HE1      TRP  83  10.871   4.175  -3.336
  673    HE3  TRP  83           HE3      TRP  83   8.221   1.342  -7.000
  674    HZ2  TRP  83           HZ2      TRP  83  12.206   4.086  -5.872
  675    HZ3  TRP  83           HZ3      TRP  83   9.956   1.776  -8.712
  676    HH2  TRP  83           HH2      TRP  83  11.947   3.145  -8.157
  677    H    PHE  84           HN       PHE  84   4.176   2.533  -5.964
  678    HA   PHE  84           HA       PHE  84   2.250   1.064  -4.228
  679   1HB   PHE  84           HB2      PHE  84   1.984   2.776  -6.680
  680   2HB   PHE  84           HB1      PHE  84   0.756   1.552  -6.351
  681    HD1  PHE  84           HD2      PHE  84   2.478   4.521  -4.903
  682    HD2  PHE  84           HD1      PHE  84  -0.835   1.802  -4.601
  683    HE1  PHE  84           HE2      PHE  84   1.446   5.966  -3.171
  684    HE2  PHE  84           HE1      PHE  84  -1.862   3.247  -2.867
  685    HZ   PHE  84           HZ       PHE  84  -0.722   5.329  -2.153
  686    H    TRP  85           HN       TRP  85   3.799  -0.867  -4.617
  687    HA   TRP  85           HA       TRP  85   3.780  -2.015  -7.286
  688   1HB   TRP  85           HB2      TRP  85   4.593  -3.078  -4.574
  689   2HB   TRP  85           HB1      TRP  85   4.653  -4.073  -6.034
  690    HD1  TRP  85           HD1      TRP  85   6.455  -1.311  -4.239
  691    HE1  TRP  85           HE1      TRP  85   8.528  -0.544  -5.600
  692    HE3  TRP  85           HE3      TRP  85   5.577  -3.838  -8.584
  693    HZ2  TRP  85           HZ2      TRP  85   9.617  -0.976  -8.222
  694    HZ3  TRP  85           HZ3      TRP  85   7.143  -3.647 -10.493
  695    HH2  TRP  85           HH2      TRP  85   9.165  -2.224 -10.315
  696    H    LEU  86           HN       LEU  86   1.581  -2.163  -7.881
  697    HA   LEU  86           HA       LEU  86  -0.381  -3.422  -6.169
  698   1HB   LEU  86           HB2      LEU  86  -0.312  -2.437  -8.988
  699   2HB   LEU  86           HB1      LEU  86  -1.585  -3.573  -8.540
  700    HG   LEU  86           HG       LEU  86  -2.402  -1.328  -8.169
  701   1HD1  LEU  86          HD11      LEU  86  -2.731  -3.235  -6.422
  702   2HD1  LEU  86          HD13      LEU  86  -1.651  -2.271  -5.416
  703   3HD1  LEU  86          HD12      LEU  86  -3.178  -1.588  -5.974
  704   1HD2  LEU  86          HD22      LEU  86   0.230  -0.707  -7.672
  705   2HD2  LEU  86          HD21      LEU  86  -1.130   0.366  -7.337
  706   3HD2  LEU  86          HD23      LEU  86  -0.467  -0.647  -6.053
  707    H    VAL  87           HN       VAL  87  -0.734  -5.518  -5.881
  708    HA   VAL  87           HA       VAL  87   0.449  -7.426  -7.861
  709    HB   VAL  87           HB       VAL  87   1.265  -8.667  -6.142
  710   1HG1  VAL  87          HG11      VAL  87   0.347  -6.306  -4.481
  711   2HG1  VAL  87          HG13      VAL  87   1.554  -7.490  -3.983
  712   3HG1  VAL  87          HG12      VAL  87   1.870  -6.424  -5.352
  713   1HG2  VAL  87          HG21      VAL  87  -1.441  -8.251  -4.848
  714   2HG2  VAL  87          HG23      VAL  87  -0.805  -9.725  -5.578
  715   3HG2  VAL  87          HG22      VAL  87  -0.141  -9.139  -4.053
  716    H    GLU  88           HN       GLU  88  -0.948  -9.581  -7.947
  717    HA   GLU  88           HA       GLU  88  -3.800  -9.025  -7.396
  718   1HB   GLU  88           HB2      GLU  88  -2.715  -9.490 -10.178
  719   2HB   GLU  88           HB1      GLU  88  -4.427  -9.553  -9.762
  720   1HG   GLU  88           HG2      GLU  88  -4.168  -7.207  -8.813
  721   2HG   GLU  88           HG1      GLU  88  -2.569  -7.172  -9.558
  722    H    ARG  89           HN       ARG  89  -1.600 -11.254  -6.822
  723    HA   ARG  89           HA       ARG  89  -3.588 -13.386  -6.865
  724   1HB   ARG  89           HB2      ARG  89  -2.605 -14.908  -8.367
  725   2HB   ARG  89           HB1      ARG  89  -2.541 -13.368  -9.217
  726   1HG   ARG  89           HG2      ARG  89  -0.339 -13.742  -9.483
  727   2HG   ARG  89           HG1      ARG  89  -0.159 -13.442  -7.755
  728   1HD   ARG  89           HD2      ARG  89   0.813 -15.571  -8.034
  729   2HD   ARG  89           HD1      ARG  89  -0.821 -15.950  -7.491
  730    HE   ARG  89           HE       ARG  89  -1.022 -15.886 -10.264
  731   1HH1  ARG  89          HH11      ARG  89  -0.650 -18.163  -7.965
  732   2HH1  ARG  89          HH12      ARG  89   0.269 -19.287  -8.908
  733   1HH2  ARG  89          HH21      ARG  89   0.862 -17.052 -11.488
  734   2HH2  ARG  89          HH22      ARG  89   1.124 -18.660 -10.900
  735    H    TRP  90           HN       TRP  90  -2.845 -12.740  -4.573
  736    HA   TRP  90           HA       TRP  90  -0.259 -13.858  -3.774
  737   1HB   TRP  90           HB2      TRP  90  -0.879 -13.205  -1.521
  738   2HB   TRP  90           HB1      TRP  90  -1.269 -11.890  -2.628
  739    HD1  TRP  90           HD1      TRP  90  -3.152 -15.037  -1.334
  740    HE1  TRP  90           HE1      TRP  90  -5.571 -14.364  -0.723
  741    HE3  TRP  90           HE3      TRP  90  -2.976 -10.059  -2.503
  742    HZ2  TRP  90           HZ2      TRP  90  -7.186 -12.017  -0.725
  743    HZ3  TRP  90           HZ3      TRP  90  -4.980  -8.640  -2.165
  744    HH2  TRP  90           HH2      TRP  90  -7.078  -9.606  -1.286
  745    H    GLU  91           HN       GLU  91  -0.177 -15.544  -2.032
  746    HA   GLU  91           HA       GLU  91  -1.859 -17.825  -2.798
  747   1HB   GLU  91           HB2      GLU  91   0.148 -18.765  -2.273
  748   2HB   GLU  91           HB1      GLU  91   0.643 -17.364  -1.338
  749   1HG   GLU  91           HG2      GLU  91   0.546 -19.154   0.234
  750   2HG   GLU  91           HG1      GLU  91  -0.925 -18.231   0.517
  751    H    GLY  92           HN       GLY  92  -3.472 -18.733  -1.523
  752   1HA   GLY  92           HA2      GLY  92  -5.393 -18.396  -0.131
  753   2HA   GLY  92           HA1      GLY  92  -4.142 -18.751   1.053
  754    H    GLU  93           HN       GLU  93  -3.019 -16.885   2.024
  755    HA   GLU  93           HA       GLU  93  -4.874 -14.579   2.314
  756   1HB   GLU  93           HB2      GLU  93  -3.294 -14.117   4.318
  757   2HB   GLU  93           HB1      GLU  93  -4.372 -15.508   4.424
  758   1HG   GLU  93           HG2      GLU  93  -1.720 -15.988   3.184
  759   2HG   GLU  93           HG1      GLU  93  -1.739 -15.702   4.922
  760    HA   PRO  94           HA       PRO  94  -2.109 -11.898   0.166
  761   1HB   PRO  94           HB2      PRO  94  -2.779  -9.563   1.579
  762   2HB   PRO  94           HB1      PRO  94  -3.627 -10.196   0.163
  763   1HG   PRO  94           HG2      PRO  94  -4.492 -10.168   2.957
  764   2HG   PRO  94           HG1      PRO  94  -5.439 -10.515   1.503
  765   1HD   PRO  94           HD2      PRO  94  -4.473 -12.392   3.445
  766   2HD   PRO  94           HD1      PRO  94  -5.323 -12.759   1.930
  767    H    TRP  95           HN       TRP  95  -0.965  -9.556   1.245
  768    HA   TRP  95           HA       TRP  95   0.309  -9.780   3.740
  769   1HB   TRP  95           HB2      TRP  95   2.528 -10.601   3.159
  770   2HB   TRP  95           HB1      TRP  95   1.325 -11.823   2.771
  771    HD1  TRP  95           HD1      TRP  95   0.520 -10.000   0.011
  772    HE1  TRP  95           HE1      TRP  95   2.030 -10.388  -2.067
  773    HE3  TRP  95           HE3      TRP  95   4.566 -12.084   2.304
  774    HZ2  TRP  95           HZ2      TRP  95   4.633 -11.480  -2.614
  775    HZ3  TRP  95           HZ3      TRP  95   6.532 -12.799   0.981
  776    HH2  TRP  95           HH2      TRP  95   6.573 -12.499  -1.471
  777    H    GLY  96           HN       GLY  96   0.573  -7.599   4.013
  778   1HA   GLY  96           HA2      GLY  96   2.513  -6.097   2.617
  779   2HA   GLY  96           HA1      GLY  96   0.972  -5.781   1.823
  780    H    LYS  97           HN       LYS  97  -0.708  -5.870   4.124
  781    HA   LYS  97           HA       LYS  97  -0.722  -3.247   5.004
  782   1HB   LYS  97           HB2      LYS  97  -2.289  -3.895   6.592
  783   2HB   LYS  97           HB1      LYS  97  -2.341  -5.278   5.509
  784   1HG   LYS  97           HG2      LYS  97  -0.628  -5.134   8.008
  785   2HG   LYS  97           HG1      LYS  97  -2.204  -5.917   7.925
  786   1HD   LYS  97           HD2      LYS  97  -1.326  -7.367   6.081
  787   2HD   LYS  97           HD1      LYS  97   0.266  -6.661   6.334
  788   1HE   LYS  97           HE2      LYS  97  -0.980  -8.817   7.773
  789   2HE   LYS  97           HE1      LYS  97   0.649  -8.171   7.960
  790   1HZ   LYS  97           HZ2      LYS  97  -0.310  -6.418   9.389
  791   2HZ   LYS  97           HZ1      LYS  97  -1.819  -7.194   9.294
  792   3HZ   LYS  97           HZ3      LYS  97  -0.506  -7.979  10.028
  793    H    GLU  98           HN       GLU  98   0.699  -2.028   6.173
  794    HA   GLU  98           HA       GLU  98   3.003  -3.302   7.417
  795   1HB   GLU  98           HB2      GLU  98   3.103  -1.057   6.340
  796   2HB   GLU  98           HB1      GLU  98   2.080  -0.427   7.630
  797   1HG   GLU  98           HG2      GLU  98   4.649  -0.156   7.893
  798   2HG   GLU  98           HG1      GLU  98   3.748  -0.767   9.278
  799    H    GLY  99           HN       GLY  99   1.896  -0.787   9.434
  800   1HA   GLY  99           HA2      GLY  99   1.223  -2.741  11.518
  801   2HA   GLY  99           HA1      GLY  99   1.429  -1.005  11.763
  802    H    GLN 100           HN       GLN 100  -0.406  -1.727   9.015
  803    HA   GLN 100           HA       GLN 100  -2.870  -0.772  10.327
  804   1HB   GLN 100           HB2      GLN 100  -3.530  -0.103   8.179
  805   2HB   GLN 100           HB1      GLN 100  -1.780   0.045   8.073
  806   1HG   GLN 100           HG2      GLN 100  -1.622  -2.149   7.010
  807   2HG   GLN 100           HG1      GLN 100  -3.364  -2.375   7.170
  808   1HE2  GLN 100          HE22      GLN 100  -3.628  -1.011   3.915
  809   2HE2  GLN 100          HE21      GLN 100  -3.847  -2.378   4.897
  810    HA   PRO 101           HA       PRO 101  -5.004  -4.599  10.270
  811   1HB   PRO 101           HB2      PRO 101  -7.330  -3.809   8.811
  812   2HB   PRO 101           HB1      PRO 101  -7.131  -3.848  10.567
  813   1HG   PRO 101           HG2      PRO 101  -7.317  -1.528   8.873
  814   2HG   PRO 101           HG1      PRO 101  -7.098  -1.570  10.626
  815   1HD   PRO 101           HD2      PRO 101  -5.134  -0.922   8.589
  816   2HD   PRO 101           HD1      PRO 101  -4.956  -0.851  10.347
  817    H    GLY 102           HN       GLY 102  -5.463  -2.954   7.120
  818   1HA   GLY 102           HA2      GLY 102  -5.293  -3.783   4.932
  819   2HA   GLY 102           HA1      GLY 102  -4.187  -4.995   5.587
  820    H    GLU 103           HN       GLU 103  -7.104  -4.678   4.032
  821    HA   GLU 103           HA       GLU 103  -7.795  -7.461   4.683
  822   1HB   GLU 103           HB2      GLU 103 -10.214  -6.764   5.193
  823   2HB   GLU 103           HB1      GLU 103  -9.023  -6.517   6.470
  824   1HG   GLU 103           HG2      GLU 103  -8.753  -4.143   5.436
  825   2HG   GLU 103           HG1      GLU 103 -10.308  -4.467   4.664
  826    H    TRP 104           HN       TRP 104  -9.054  -8.426   3.085
  827    HA   TRP 104           HA       TRP 104  -8.957  -7.444   0.466
  828   1HB   TRP 104           HB2      TRP 104 -11.334  -9.065   1.361
  829   2HB   TRP 104           HB1      TRP 104 -10.414  -9.185  -0.140
  830    HD1  TRP 104           HD1      TRP 104  -7.535  -9.536   0.762
  831    HE1  TRP 104           HE1      TRP 104  -6.722 -11.590   2.129
  832    HE3  TRP 104           HE3      TRP 104 -11.998 -11.046   2.735
  833    HZ2  TRP 104           HZ2      TRP 104  -7.873 -13.595   3.822
  834    HZ3  TRP 104           HZ3      TRP 104 -12.112 -13.026   4.218
  835    HH2  TRP 104           HH2      TRP 104 -10.058 -14.303   4.765
  836    H    MET 105           HN       MET 105 -10.175  -5.949  -0.667
  837    HA   MET 105           HA       MET 105 -12.590  -4.866   0.720
  838   1HB   MET 105           HB2      MET 105 -10.372  -3.438   0.744
  839   2HB   MET 105           HB1      MET 105 -10.822  -3.078  -0.931
  840   1HG   MET 105           HG2      MET 105 -12.844  -2.809   1.281
  841   2HG   MET 105           HG1      MET 105 -11.699  -1.508   0.956
  842   1HE   MET 105           HE1      MET 105 -14.624  -1.654   1.084
  843   2HE   MET 105           HE3      MET 105 -14.535  -0.112   0.221
  844   3HE   MET 105           HE2      MET 105 -15.551  -1.413  -0.395
  845    H    SER 106           HN       SER 106 -14.272  -5.384  -0.580
  846    HA   SER 106           HA       SER 106 -13.914  -5.789  -3.447
  847   1HB   SER 106           HB2      SER 106 -15.576  -7.183  -2.507
  848   2HB   SER 106           HB1      SER 106 -16.270  -5.869  -1.561
  849    HG   SER 106           HG       SER 106 -16.310  -6.141  -4.392
  850    H    LEU 107           HN       LEU 107 -13.036  -3.512  -3.683
  851    HA   LEU 107           HA       LEU 107 -14.898  -1.286  -3.424
  852   1HB   LEU 107           HB2      LEU 107 -12.377  -1.146  -3.140
  853   2HB   LEU 107           HB1      LEU 107 -12.241  -1.352  -4.884
  854    HG   LEU 107           HG       LEU 107 -14.019   0.791  -3.740
  855   1HD1  LEU 107          HD12      LEU 107 -11.029   0.708  -3.908
  856   2HD1  LEU 107          HD11      LEU 107 -11.843   2.217  -4.316
  857   3HD1  LEU 107          HD13      LEU 107 -12.059   1.503  -2.718
  858   1HD2  LEU 107          HD23      LEU 107 -12.539   0.303  -6.338
  859   2HD2  LEU 107          HD22      LEU 107 -14.283   0.404  -6.097
  860   3HD2  LEU 107          HD21      LEU 107 -13.288   1.850  -5.947
  861    H    VAL 108           HN       VAL 108 -13.069  -2.482  -6.219
  862    HA   VAL 108           HA       VAL 108 -14.033  -3.186  -8.337
  863    HB   VAL 108           HB       VAL 108 -16.269  -1.258  -7.634
  864   1HG1  VAL 108          HG12      VAL 108 -15.468  -2.683 -10.113
  865   2HG1  VAL 108          HG11      VAL 108 -17.190  -2.615  -9.736
  866   3HG1  VAL 108          HG13      VAL 108 -16.267  -1.123  -9.913
  867   1HG2  VAL 108          HG22      VAL 108 -15.839  -3.954  -6.889
  868   2HG2  VAL 108          HG21      VAL 108 -17.339  -3.038  -6.740
  869   3HG2  VAL 108          HG23      VAL 108 -17.031  -3.995  -8.188
  870    H    GLY 109           HN       GLY 109 -12.283  -2.249  -9.349
  871   1HA   GLY 109           HA2      GLY 109 -10.959  -0.531 -10.286
  872   2HA   GLY 109           HA1      GLY 109 -12.499  -0.029 -10.983
  873    H    LEU 110           HN       LEU 110 -10.387   0.337  -8.221
  874    HA   LEU 110           HA       LEU 110 -11.485   1.978  -6.437
  875   1HB   LEU 110           HB2      LEU 110  -8.831   1.952  -7.690
  876   2HB   LEU 110           HB1      LEU 110  -9.281   3.484  -6.909
  877    HG   LEU 110           HG       LEU 110 -10.048   1.983  -4.936
  878   1HD1  LEU 110          HD13      LEU 110  -8.736   0.077  -6.762
  879   2HD1  LEU 110          HD12      LEU 110  -8.158  -0.002  -5.097
  880   3HD1  LEU 110          HD11      LEU 110  -9.872  -0.227  -5.448
  881   1HD2  LEU 110          HD23      LEU 110  -7.146   2.386  -5.702
  882   2HD2  LEU 110          HD22      LEU 110  -8.162   3.501  -4.789
  883   3HD2  LEU 110          HD21      LEU 110  -7.687   1.958  -4.080
  884    H    ASN 111           HN       ASN 111 -11.925   4.196  -6.135
  885    HA   ASN 111           HA       ASN 111 -12.308   5.779  -8.642
  886   1HB   ASN 111           HB2      ASN 111 -14.307   4.561  -7.238
  887   2HB   ASN 111           HB1      ASN 111 -14.292   6.159  -6.481
  888   1HD2  ASN 111          HD22      ASN 111 -15.101   7.828  -9.624
  889   2HD2  ASN 111          HD21      ASN 111 -14.094   8.021  -8.271
  890    H    ALA 112           HN       ALA 112 -10.982   5.663  -5.539
  891    HA   ALA 112           HA       ALA 112  -9.851   7.328  -4.315
  892   1HB   ALA 112           HB1      ALA 112  -9.432   8.348  -6.614
  893   2HB   ALA 112           HB3      ALA 112 -10.868   9.335  -6.341
  894   3HB   ALA 112           HB2      ALA 112  -9.477   9.487  -5.270
  895    H    ASP 113           HN       ASP 113 -13.097   7.068  -4.910
  896    HA   ASP 113           HA       ASP 113 -14.055   9.326  -3.326
  897   1HB   ASP 113           HB2      ASP 113 -15.142   7.462  -5.151
  898   2HB   ASP 113           HB1      ASP 113 -15.918   7.122  -3.614
  899    H    ASP 114           HN       ASP 114 -12.954   6.102  -2.883
  900    HA   ASP 114           HA       ASP 114 -13.986   5.995  -0.093
  901   1HB   ASP 114           HB2      ASP 114 -13.073   3.979  -2.125
  902   2HB   ASP 114           HB1      ASP 114 -13.019   3.566  -0.397
  903    H    PHE 115           HN       PHE 115 -11.219   6.733  -1.904
  904    HA   PHE 115           HA       PHE 115  -9.382   6.013   0.323
  905   1HB   PHE 115           HB2      PHE 115  -8.996   6.648  -2.591
  906   2HB   PHE 115           HB1      PHE 115  -7.653   6.826  -1.465
  907    HD1  PHE 115           HD1      PHE 115 -10.240   4.393  -2.626
  908    HD2  PHE 115           HD2      PHE 115  -6.411   4.949  -0.760
  909    HE1  PHE 115           HE1      PHE 115  -9.849   1.947  -2.698
  910    HE2  PHE 115           HE2      PHE 115  -6.020   2.500  -0.832
  911    HZ   PHE 115           HZ       PHE 115  -7.739   0.999  -1.803
  912    HA   PRO 116           HA       PRO 116  -9.257  10.167   1.743
  913   1HB   PRO 116           HB2      PRO 116  -6.516   9.961   2.566
  914   2HB   PRO 116           HB1      PRO 116  -7.959   9.815   3.570
  915   1HG   PRO 116           HG2      PRO 116  -6.162   7.716   2.794
  916   2HG   PRO 116           HG1      PRO 116  -7.646   7.566   3.745
  917   1HD   PRO 116           HD2      PRO 116  -7.188   6.775   0.991
  918   2HD   PRO 116           HD1      PRO 116  -8.637   6.515   1.984
  919    HA   PRO 117           HA       PRO 117  -7.321  12.546  -1.422
  920   1HB   PRO 117           HB2      PRO 117  -6.926  14.822   0.272
  921   2HB   PRO 117           HB1      PRO 117  -8.245  14.551  -0.875
  922   1HG   PRO 117           HG2      PRO 117  -8.376  14.495   2.009
  923   2HG   PRO 117           HG1      PRO 117  -9.693  14.242   0.857
  924   1HD   PRO 117           HD2      PRO 117  -8.360  12.267   2.490
  925   2HD   PRO 117           HD1      PRO 117  -9.703  12.020   1.355
  926    H    ALA 118           HN       ALA 118  -5.873  12.095   1.727
  927    HA   ALA 118           HA       ALA 118  -3.408  13.358   1.556
  928   1HB   ALA 118           HB1      ALA 118  -4.357  11.712   3.357
  929   2HB   ALA 118           HB3      ALA 118  -3.513  10.479   2.419
  930   3HB   ALA 118           HB2      ALA 118  -2.611  11.817   3.130
  931    H    ASN 119           HN       ASN 119  -4.014  10.026   0.385
  932    HA   ASN 119           HA       ASN 119  -1.532  10.132  -1.205
  933   1HB   ASN 119           HB2      ASN 119  -3.647   8.031  -0.702
  934   2HB   ASN 119           HB1      ASN 119  -2.409   7.809  -1.938
  935   1HD2  ASN 119          HD22      ASN 119   0.219   7.300   0.401
  936   2HD2  ASN 119          HD21      ASN 119  -0.157   7.626  -1.221
  937    H    GLU 120           HN       GLU 120  -3.319  12.096  -2.006
  938    HA   GLU 120           HA       GLU 120  -5.145  11.425  -4.052
  939   1HB   GLU 120           HB2      GLU 120  -3.816  13.790  -3.025
  940   2HB   GLU 120           HB1      GLU 120  -4.047  13.883  -4.772
  941   1HG   GLU 120           HG2      GLU 120  -6.441  13.314  -4.474
  942   2HG   GLU 120           HG1      GLU 120  -6.202  13.273  -2.727
  943    HA   PRO 121           HA       PRO 121  -1.349  12.327  -7.051
  944   1HB   PRO 121           HB2      PRO 121   0.821  10.948  -5.674
  945   2HB   PRO 121           HB1      PRO 121   0.786  12.583  -6.348
  946   1HG   PRO 121           HG2      PRO 121   0.712  11.909  -3.602
  947   2HG   PRO 121           HG1      PRO 121   0.387  13.503  -4.297
  948   1HD   PRO 121           HD2      PRO 121  -1.483  11.631  -3.107
  949   2HD   PRO 121           HD1      PRO 121  -1.786  13.297  -3.640
  950    H    VAL 122           HN       VAL 122  -1.532   9.352  -5.086
  951    HA   VAL 122           HA       VAL 122  -1.125   7.799  -7.594
  952    HB   VAL 122           HB       VAL 122  -0.767   7.264  -4.699
  953   1HG1  VAL 122          HG13      VAL 122  -1.824   5.246  -6.668
  954   2HG1  VAL 122          HG12      VAL 122  -0.737   4.734  -5.377
  955   3HG1  VAL 122          HG11      VAL 122  -2.282   5.489  -4.982
  956   1HG2  VAL 122          HG23      VAL 122   0.898   7.585  -6.809
  957   2HG2  VAL 122          HG22      VAL 122   1.325   6.632  -5.388
  958   3HG2  VAL 122          HG21      VAL 122   0.716   5.832  -6.836
  959    H    ILE 123           HN       ILE 123  -3.480   8.313  -5.007
  960    HA   ILE 123           HA       ILE 123  -5.380   6.358  -5.762
  961    HB   ILE 123           HB       ILE 123  -5.612   9.046  -4.408
  962   1HG1  ILE 123          HG12      ILE 123  -6.580   6.449  -3.290
  963   2HG1  ILE 123          HG11      ILE 123  -4.836   6.669  -3.441
  964   1HG2  ILE 123          HG21      ILE 123  -7.867   7.192  -5.235
  965   2HG2  ILE 123          HG23      ILE 123  -8.036   8.432  -3.992
  966   3HG2  ILE 123          HG22      ILE 123  -7.676   8.894  -5.656
  967   1HD1  ILE 123          HD13      ILE 123  -6.606   8.748  -2.140
  968   2HD1  ILE 123          HD12      ILE 123  -5.894   7.418  -1.225
  969   3HD1  ILE 123          HD11      ILE 123  -4.855   8.589  -2.030
  970    H    ALA 124           HN       ALA 124  -4.507   9.418  -7.154
  971    HA   ALA 124           HA       ALA 124  -6.794   9.902  -8.781
  972   1HB   ALA 124           HB3      ALA 124  -4.242  11.025  -8.411
  973   2HB   ALA 124           HB2      ALA 124  -4.300  10.563 -10.112
  974   3HB   ALA 124           HB1      ALA 124  -5.523  11.649  -9.451
  975    H    LYS 125           HN       LYS 125  -3.922   7.948  -9.226
  976    HA   LYS 125           HA       LYS 125  -4.559   7.121 -11.925
  977   1HB   LYS 125           HB2      LYS 125  -2.645   5.888  -9.929
  978   2HB   LYS 125           HB1      LYS 125  -2.640   5.642 -11.677
  979   1HG   LYS 125           HG2      LYS 125  -2.286   8.333 -10.329
  980   2HG   LYS 125           HG1      LYS 125  -0.961   7.336 -10.924
  981   1HD   LYS 125           HD2      LYS 125  -1.474   7.725 -13.142
  982   2HD   LYS 125           HD1      LYS 125  -3.190   7.956 -12.815
  983   1HE   LYS 125           HE2      LYS 125  -1.781  10.048 -13.430
  984   2HE   LYS 125           HE1      LYS 125  -2.873  10.163 -12.050
  985   1HZ   LYS 125           HZ1      LYS 125  -0.005   9.437 -11.828
  986   2HZ   LYS 125           HZ3      LYS 125  -0.595  11.016 -11.629
  987   3HZ   LYS 125           HZ2      LYS 125  -1.079   9.788 -10.558
  988    H    LEU 126           HN       LEU 126  -4.950   5.639  -8.685
  989    HA   LEU 126           HA       LEU 126  -5.841   3.082  -9.551
  990   1HB   LEU 126           HB2      LEU 126  -6.621   4.780  -7.170
  991   2HB   LEU 126           HB1      LEU 126  -7.307   3.176  -7.430
  992    HG   LEU 126           HG       LEU 126  -5.346   2.110  -6.891
  993   1HD1  LEU 126          HD13      LEU 126  -4.077   3.099  -8.800
  994   2HD1  LEU 126          HD12      LEU 126  -3.759   4.528  -7.816
  995   3HD1  LEU 126          HD11      LEU 126  -3.098   2.966  -7.340
  996   1HD2  LEU 126          HD21      LEU 126  -5.781   4.537  -5.418
  997   2HD2  LEU 126          HD23      LEU 126  -5.169   2.990  -4.834
  998   3HD2  LEU 126          HD22      LEU 126  -4.052   4.196  -5.476
  999    H    LYS 127           HN       LYS 127  -7.512   6.131  -9.073
 1000    HA   LYS 127           HA       LYS 127 -10.164   5.606  -9.527
 1001   1HB   LYS 127           HB2      LYS 127  -8.682   7.718 -11.119
 1002   2HB   LYS 127           HB1      LYS 127 -10.344   7.790 -10.514
 1003   1HG   LYS 127           HG2      LYS 127  -8.907   7.382  -8.204
 1004   2HG   LYS 127           HG1      LYS 127  -7.824   8.407  -9.149
 1005   1HD   LYS 127           HD2      LYS 127 -10.730   8.996  -8.506
 1006   2HD   LYS 127           HD1      LYS 127  -9.325   9.819  -7.828
 1007   1HE   LYS 127           HE2      LYS 127  -9.037  11.102  -9.678
 1008   2HE   LYS 127           HE1      LYS 127  -9.363   9.757 -10.771
 1009   1HZ   LYS 127           HZ1      LYS 127 -11.771  10.178  -9.660
 1010   2HZ   LYS 127           HZ3      LYS 127 -11.158  11.759  -9.722
 1011   3HZ   LYS 127           HZ2      LYS 127 -11.269  10.836 -11.144
 1012    H    ARG 128           HN       ARG 128  -7.596   5.715 -11.934
 1013    HA   ARG 128           HA       ARG 128  -9.347   5.033 -14.164
 1014   1HB   ARG 128           HB2      ARG 128  -6.425   4.590 -14.415
 1015   2HB   ARG 128           HB1      ARG 128  -7.521   5.456 -15.484
 1016   1HG   ARG 128           HG2      ARG 128  -7.593   7.181 -13.468
 1017   2HG   ARG 128           HG1      ARG 128  -6.033   6.447 -13.076
 1018   1HD   ARG 128           HD2      ARG 128  -6.596   7.314 -15.899
 1019   2HD   ARG 128           HD1      ARG 128  -6.115   8.513 -14.699
 1020    HE   ARG 128           HE       ARG 128  -4.238   6.485 -14.418
 1021   1HH1  ARG 128          HH21      ARG 128  -5.510   7.228 -17.427
 1022   2HH1  ARG 128          HH22      ARG 128  -4.012   7.730 -18.137
 1023   1HH2  ARG 128          HH11      ARG 128  -2.262   7.659 -15.145
 1024   2HH2  ARG 128          HH12      ARG 128  -2.175   7.973 -16.846
 1025    H    LEU 129           HN       LEU 129  -6.741   3.341 -12.394
 1026    HA   LEU 129           HA       LEU 129  -6.160   1.058 -12.415
 1027   1HB   LEU 129           HB2      LEU 129  -8.652   1.520 -11.187
 1028   2HB   LEU 129           HB1      LEU 129  -8.870   0.071 -12.167
 1029    HG   LEU 129           HG       LEU 129  -7.004  -1.013 -11.124
 1030   1HD1  LEU 129          HD11      LEU 129  -6.157   1.643 -10.630
 1031   2HD1  LEU 129          HD13      LEU 129  -6.341   0.869  -9.056
 1032   3HD1  LEU 129          HD12      LEU 129  -5.281   0.155 -10.272
 1033   1HD2  LEU 129          HD22      LEU 129  -8.898   0.364  -9.234
 1034   2HD2  LEU 129          HD21      LEU 129  -8.953  -1.301  -9.813
 1035   3HD2  LEU 129          HD23      LEU 129  -7.718  -0.809  -8.653
 1036   3HOG  APC 130           H5T      ATP 130   6.162  -0.030   7.239
 1037   1H3A  APC 130           H3P      ATP 130   9.931   2.203   7.020
 1038   2H3A  APC 130          H3P'      ATP 130   9.465   2.680   8.670
 1039   1H5*  APC 130           H5'      ATP 130   9.531   4.101   6.931
 1040   2H5*  APC 130          H5''      ATP 130  10.438   5.540   6.433
 1041    H4*  APC 130           H4'      ATP 130   9.749   6.271   8.953
 1042    H3*  APC 130           H3'      ATP 130   7.937   4.101   8.121
 1043   *HO3  APC 130          H3''      ATP 130   8.112   5.383  10.689
 1044    H2*  APC 130          H2''      ATP 130   6.024   5.256   8.101
 1045   *HO2  APC 130           H2'      ATP 130   5.390   6.146   9.889
 1046    H1*  APC 130           H1'      ATP 130   7.023   7.950   8.288
 1047    H8   APC 130           H8       ATP 130   6.685   5.144   5.616
 1048    H2   APC 130           H2       ATP 130   4.164  10.960   6.553
 1049   1HN6  APC 130           H61      ATP 130   3.219   7.229   2.960
 1050   2HN6  APC 130           H62      ATP 130   2.408   8.776   3.057
 1051   1HN1  CON 131          H1N1      ATP 130  11.064  -1.091  13.025
 1052   2HN1  CON 131          H2N1      ATP 130  10.443   0.120  13.804
 1053   3HN1  CON 131          H3N1      ATP 130  11.482   0.372  12.665
 1054   1HN2  CON 131          H1N2      ATP 130   6.968  -0.823  12.675
 1055   2HN2  CON 131          H2N2      ATP 130   8.040  -1.915  12.995
 1056   3HN2  CON 131          H3N2      ATP 130   8.019  -0.584  13.807
 1057   1HN3  CON 131          H1N3      ATP 130   8.919   2.478  11.601
 1058   2HN3  CON 131          H2N3      ATP 130   9.129   1.995  13.069
 1059   3HN3  CON 131          H3N3      ATP 130   7.723   1.865  12.391
 1060   1HN4  CON 131          H1N4      ATP 130   8.938  -2.565  10.788
 1061   2HN4  CON 131          H2N4      ATP 130  10.104  -1.932   9.959
 1062   3HN4  CON 131          H3N4      ATP 130  10.357  -2.413  11.425
 1063   1HO1  MO2 132          H1O1      MG  131   9.862  -2.015   6.308
 1064   2HO1  MO2 132          H2O1      MG  131   9.998  -2.878   7.535
 1065   1HO2  MO2 132          H1O2      MG  131   7.170  -4.070   9.121
 1066   2HO2  MO2 132          H2O2      MG  131   7.962  -5.251   8.602
   
  No H/Q in entry =        1066
  Start of MODEL    2
    1   1H    MET   1           HT1      MET   1  14.456  16.345   7.239
    2   2H    MET   1           HT3      MET   1  13.715  15.654   8.600
    3   3H    MET   1           HT2      MET   1  14.745  16.993   8.783
    4    HA   MET   1           HA       MET   1  16.540  15.724   8.916
    5   1HB   MET   1           HB2      MET   1  14.559  14.294   9.962
    6   2HB   MET   1           HB1      MET   1  14.916  13.227   8.606
    7   1HG   MET   1           HG2      MET   1  16.781  12.466   9.610
    8   2HG   MET   1           HG1      MET   1  17.365  14.109   9.873
    9   1HE   MET   1           HE1      MET   1  18.526  13.372  11.641
   10   2HE   MET   1           HE3      MET   1  17.957  13.412  13.316
   11   3HE   MET   1           HE2      MET   1  17.964  11.895  12.421
   12    H    LYS   2           HN       LYS   2  14.639  13.554   6.805
   13    HA   LYS   2           HA       LYS   2  16.284  14.202   4.487
   14   1HB   LYS   2           HB2      LYS   2  17.013  11.687   4.342
   15   2HB   LYS   2           HB1      LYS   2  17.920  12.786   5.366
   16   1HG   LYS   2           HG2      LYS   2  17.419  10.677   6.549
   17   2HG   LYS   2           HG1      LYS   2  16.657  12.059   7.334
   18   1HD   LYS   2           HD2      LYS   2  14.519  11.530   6.295
   19   2HD   LYS   2           HD1      LYS   2  15.257  10.225   5.367
   20   1HE   LYS   2           HE2      LYS   2  14.297   9.093   7.189
   21   2HE   LYS   2           HE1      LYS   2  15.979   9.288   7.682
   22   1HZ   LYS   2           HZ3      LYS   2  15.240  11.399   8.790
   23   2HZ   LYS   2           HZ2      LYS   2  13.639  10.892   8.525
   24   3HZ   LYS   2           HZ1      LYS   2  14.676   9.965   9.499
   25    H    LYS   3           HN       LYS   3  15.518  11.121   3.798
   26    HA   LYS   3           HA       LYS   3  12.621  11.561   3.491
   27   1HB   LYS   3           HB2      LYS   3  12.763  12.282   1.370
   28   2HB   LYS   3           HB1      LYS   3  14.513  12.180   1.440
   29   1HG   LYS   3           HG2      LYS   3  12.900   9.686   0.921
   30   2HG   LYS   3           HG1      LYS   3  13.233  10.810  -0.390
   31   1HD   LYS   3           HD2      LYS   3  15.456  10.306  -0.446
   32   2HD   LYS   3           HD1      LYS   3  15.561  10.134   1.306
   33   1HE   LYS   3           HE2      LYS   3  14.542   7.929   1.203
   34   2HE   LYS   3           HE1      LYS   3  14.254   8.105  -0.528
   35   1HZ   LYS   3           HZ3      LYS   3  16.971   8.604   0.058
   36   2HZ   LYS   3           HZ2      LYS   3  16.518   7.101   0.708
   37   3HZ   LYS   3           HZ1      LYS   3  16.299   7.413  -0.947
   38    H    LEU   4           HN       LEU   4  11.500   9.640   2.733
   39    HA   LEU   4           HA       LEU   4  13.069   7.109   2.904
   40   1HB   LEU   4           HB2      LEU   4  11.456   6.109   4.389
   41   2HB   LEU   4           HB1      LEU   4  11.885   7.656   5.115
   42    HG   LEU   4           HG       LEU   4   9.734   8.127   3.310
   43   1HD1  LEU   4          HD13      LEU   4   9.539   5.605   4.894
   44   2HD1  LEU   4          HD12      LEU   4   8.105   6.619   4.736
   45   3HD1  LEU   4          HD11      LEU   4   8.894   5.984   3.298
   46   1HD2  LEU   4          HD23      LEU   4   9.957   8.044   6.319
   47   2HD2  LEU   4          HD22      LEU   4  10.226   9.443   5.279
   48   3HD2  LEU   4          HD21      LEU   4   8.608   8.759   5.436
   49    H    GLN   5           HN       GLN   5  11.113   5.309   2.482
   50    HA   GLN   5           HA       GLN   5   9.366   6.285   0.307
   51   1HB   GLN   5           HB2      GLN   5  11.251   3.942  -0.091
   52   2HB   GLN   5           HB1      GLN   5  10.057   4.532  -1.244
   53   1HG   GLN   5           HG2      GLN   5  11.763   5.786  -2.065
   54   2HG   GLN   5           HG1      GLN   5  11.419   6.838  -0.687
   55   1HE2  GLN   5          HE22      GLN   5  14.998   5.102  -0.887
   56   2HE2  GLN   5          HE21      GLN   5  13.944   5.277  -2.205
   57    H    ILE   6           HN       ILE   6   8.028   4.181  -0.434
   58    HA   ILE   6           HA       ILE   6   7.560   2.446   1.921
   59    HB   ILE   6           HB       ILE   6   5.766   4.574   0.853
   60   1HG1  ILE   6          HG12      ILE   6   7.131   4.031   3.225
   61   2HG1  ILE   6          HG11      ILE   6   5.906   5.267   2.997
   62   1HG2  ILE   6          HG22      ILE   6   4.765   1.951   2.005
   63   2HG2  ILE   6          HG21      ILE   6   3.778   3.398   1.798
   64   3HG2  ILE   6          HG23      ILE   6   4.445   2.576   0.387
   65   1HD1  ILE   6          HD13      ILE   6   5.317   2.406   3.828
   66   2HD1  ILE   6          HD12      ILE   6   5.444   3.760   4.950
   67   3HD1  ILE   6          HD11      ILE   6   4.159   3.734   3.743
   68    H    ALA   7           HN       ALA   7   7.777   0.484   0.996
   69    HA   ALA   7           HA       ALA   7   6.966  -0.003  -1.782
   70   1HB   ALA   7           HB2      ALA   7   8.591  -1.344   0.239
   71   2HB   ALA   7           HB1      ALA   7   7.511  -2.468  -0.586
   72   3HB   ALA   7           HB3      ALA   7   8.649  -1.493  -1.517
   73    H    VAL   8           HN       VAL   8   4.667   0.697  -1.002
   74    HA   VAL   8           HA       VAL   8   3.222  -1.326   0.514
   75    HB   VAL   8           HB       VAL   8   2.287   0.798   0.829
   76   1HG1  VAL   8          HG12      VAL   8   3.232   1.245  -1.879
   77   2HG1  VAL   8          HG11      VAL   8   1.589   1.845  -1.681
   78   3HG1  VAL   8          HG13      VAL   8   2.871   2.419  -0.617
   79   1HG2  VAL   8          HG23      VAL   8   0.739  -1.158  -0.356
   80   2HG2  VAL   8          HG22      VAL   8   0.111   0.317   0.377
   81   3HG2  VAL   8          HG21      VAL   8   0.394   0.248  -1.363
   82    H    GLY   9           HN       GLY   9   2.409  -0.107  -2.755
   83   1HA   GLY   9           HA2      GLY   9   1.699  -1.339  -4.616
   84   2HA   GLY   9           HA1      GLY   9   2.679  -2.666  -3.976
   85    H    ILE  10           HN       ILE  10  -0.414  -1.066  -3.736
   86    HA   ILE  10           HA       ILE  10  -1.727  -2.666  -1.867
   87    HB   ILE  10           HB       ILE  10  -3.398  -2.191  -4.252
   88   1HG1  ILE  10          HG12      ILE  10  -2.036   0.135  -2.853
   89   2HG1  ILE  10          HG11      ILE  10  -1.812  -0.319  -4.546
   90   1HG2  ILE  10          HG21      ILE  10  -4.194  -2.697  -1.918
   91   2HG2  ILE  10          HG23      ILE  10  -3.548  -1.139  -1.405
   92   3HG2  ILE  10          HG22      ILE  10  -4.866  -1.205  -2.574
   93   1HD1  ILE  10          HD13      ILE  10  -4.239   0.051  -4.939
   94   2HD1  ILE  10          HD12      ILE  10  -4.414   0.573  -3.264
   95   3HD1  ILE  10          HD11      ILE  10  -3.430   1.516  -4.384
   96    H    ILE  11           HN       ILE  11  -3.445  -4.421  -2.525
   97    HA   ILE  11           HA       ILE  11  -2.255  -6.167  -4.619
   98    HB   ILE  11           HB       ILE  11  -2.762  -8.064  -2.850
   99   1HG1  ILE  11          HG12      ILE  11  -2.445  -5.546  -1.166
  100   2HG1  ILE  11          HG11      ILE  11  -3.788  -6.696  -1.137
  101   1HG2  ILE  11          HG23      ILE  11  -0.496  -6.750  -3.728
  102   2HG2  ILE  11          HG22      ILE  11  -0.382  -6.554  -1.980
  103   3HG2  ILE  11          HG21      ILE  11  -0.490  -8.168  -2.679
  104   1HD1  ILE  11          HD13      ILE  11  -1.438  -8.213  -0.714
  105   2HD1  ILE  11          HD12      ILE  11  -1.311  -6.793   0.324
  106   3HD1  ILE  11          HD11      ILE  11  -2.710  -7.859   0.455
  107    H    ARG  12           HN       ARG  12  -4.163  -5.455  -5.839
  108    HA   ARG  12           HA       ARG  12  -6.793  -6.401  -4.847
  109   1HB   ARG  12           HB2      ARG  12  -7.363  -5.514  -7.332
  110   2HB   ARG  12           HB1      ARG  12  -7.272  -4.431  -5.949
  111   1HG   ARG  12           HG2      ARG  12  -4.958  -3.889  -6.481
  112   2HG   ARG  12           HG1      ARG  12  -4.955  -5.053  -7.802
  113   1HD   ARG  12           HD2      ARG  12  -7.096  -2.976  -7.870
  114   2HD   ARG  12           HD1      ARG  12  -5.454  -2.426  -8.187
  115    HE   ARG  12           HE       ARG  12  -5.762  -4.706  -9.773
  116   1HH1  ARG  12          HH21      ARG  12  -8.645  -3.837  -9.900
  117   2HH1  ARG  12          HH22      ARG  12  -8.639  -2.795 -11.284
  118   1HH2  ARG  12          HH11      ARG  12  -5.189  -2.441 -11.330
  119   2HH2  ARG  12          HH12      ARG  12  -6.681  -2.004 -12.094
  120    H    ASN  13           HN       ASN  13  -7.754  -8.336  -5.647
  121    HA   ASN  13           HA       ASN  13  -6.759  -9.429  -8.161
  122   1HB   ASN  13           HB2      ASN  13  -5.666 -11.351  -7.328
  123   2HB   ASN  13           HB1      ASN  13  -5.016  -9.958  -6.470
  124   1HD2  ASN  13          HD22      ASN  13  -6.968 -12.847  -4.405
  125   2HD2  ASN  13          HD21      ASN  13  -6.737 -12.955  -6.084
  126    H    GLU  14           HN       GLU  14  -9.228  -9.005  -7.990
  127    HA   GLU  14           HA       GLU  14 -10.454 -11.697  -7.909
  128   1HB   GLU  14           HB2      GLU  14 -10.891 -10.552  -5.639
  129   2HB   GLU  14           HB1      GLU  14 -11.885  -9.404  -6.534
  130   1HG   GLU  14           HG2      GLU  14 -12.635 -11.978  -7.439
  131   2HG   GLU  14           HG1      GLU  14 -12.553 -12.073  -5.679
  132    H    ASN  15           HN       ASN  15 -10.891  -8.372  -8.173
  133    HA   ASN  15           HA       ASN  15 -11.553  -8.216 -10.982
  134   1HB   ASN  15           HB2      ASN  15 -13.804  -8.704  -9.672
  135   2HB   ASN  15           HB1      ASN  15 -13.598  -7.062  -9.061
  136   1HD2  ASN  15          HD22      ASN  15 -14.421  -7.609 -13.051
  137   2HD2  ASN  15          HD21      ASN  15 -13.789  -8.900 -12.148
  138    H    ASN  16           HN       ASN  16 -11.735  -6.882  -7.775
  139    HA   ASN  16           HA       ASN  16  -9.554  -5.076  -8.159
  140   1HB   ASN  16           HB2      ASN  16 -11.454  -3.762  -9.169
  141   2HB   ASN  16           HB1      ASN  16 -12.288  -3.863  -7.619
  142   1HD2  ASN  16          HD22      ASN  16  -8.740  -1.978  -7.040
  143   2HD2  ASN  16          HD21      ASN  16  -8.801  -3.604  -7.508
  144    H    GLU  17           HN       GLU  17 -10.037  -7.348  -6.397
  145    HA   GLU  17           HA       GLU  17 -10.929  -6.053  -3.870
  146   1HB   GLU  17           HB2      GLU  17 -10.191  -8.919  -4.484
  147   2HB   GLU  17           HB1      GLU  17 -10.678  -8.328  -2.892
  148   1HG   GLU  17           HG2      GLU  17 -12.488  -7.553  -5.087
  149   2HG   GLU  17           HG1      GLU  17 -12.430  -9.282  -4.750
  150    H    ILE  18           HN       ILE  18  -9.284  -4.699  -3.247
  151    HA   ILE  18           HA       ILE  18  -6.520  -5.711  -3.113
  152    HB   ILE  18           HB       ILE  18  -6.217  -3.357  -1.988
  153   1HG1  ILE  18          HG12      ILE  18  -8.809  -2.913  -3.487
  154   2HG1  ILE  18          HG11      ILE  18  -8.729  -3.090  -1.733
  155   1HG2  ILE  18          HG23      ILE  18  -5.896  -4.287  -4.521
  156   2HG2  ILE  18          HG22      ILE  18  -7.044  -2.979  -4.798
  157   3HG2  ILE  18          HG21      ILE  18  -5.496  -2.647  -4.020
  158   1HD1  ILE  18          HD13      ILE  18  -6.734  -1.230  -2.311
  159   2HD1  ILE  18          HD12      ILE  18  -8.054  -0.786  -3.392
  160   3HD1  ILE  18          HD11      ILE  18  -8.329  -0.867  -1.653
  161    H    PHE  19           HN       PHE  19  -5.329  -5.789  -1.131
  162    HA   PHE  19           HA       PHE  19  -6.917  -6.597   1.222
  163   1HB   PHE  19           HB2      PHE  19  -4.618  -7.578   0.312
  164   2HB   PHE  19           HB1      PHE  19  -3.931  -6.258   1.258
  165    HD1  PHE  19           HD1      PHE  19  -6.849  -8.557   1.798
  166    HD2  PHE  19           HD2      PHE  19  -3.106  -7.070   3.287
  167    HE1  PHE  19           HE1      PHE  19  -7.130  -9.913   3.854
  168    HE2  PHE  19           HE2      PHE  19  -3.391  -8.432   5.344
  169    HZ   PHE  19           HZ       PHE  19  -5.399  -9.841   5.630
  170    H    ILE  20           HN       ILE  20  -7.421  -3.975   0.599
  171    HA   ILE  20           HA       ILE  20  -5.658  -2.143   1.987
  172    HB   ILE  20           HB       ILE  20  -6.890  -1.452  -0.017
  173   1HG1  ILE  20          HG12      ILE  20  -8.233   0.093   2.158
  174   2HG1  ILE  20          HG11      ILE  20  -6.473   0.069   2.136
  175   1HG2  ILE  20          HG23      ILE  20  -8.983  -2.863   1.200
  176   2HG2  ILE  20          HG22      ILE  20  -9.494  -1.174   1.221
  177   3HG2  ILE  20          HG21      ILE  20  -9.065  -1.947  -0.305
  178   1HD1  ILE  20          HD13      ILE  20  -6.656   0.675  -0.352
  179   2HD1  ILE  20          HD12      ILE  20  -8.342   1.062  -0.010
  180   3HD1  ILE  20          HD11      ILE  20  -7.053   1.941   0.811
  181    H    THR  21           HN       THR  21  -6.281  -0.863   3.742
  182    HA   THR  21           HA       THR  21  -7.685  -2.283   5.854
  183    HB   THR  21           HB       THR  21  -6.020  -0.861   6.666
  184    HG1  THR  21           HG1      THR  21  -7.738  -0.412   7.932
  185   1HG2  THR  21          HG21      THR  21  -6.839   0.797   4.388
  186   2HG2  THR  21          HG23      THR  21  -6.444   1.735   5.827
  187   3HG2  THR  21          HG22      THR  21  -5.252   0.628   5.141
  188    H    ARG  22           HN       ARG  22  -9.832  -2.598   5.275
  189    HA   ARG  22           HA       ARG  22 -11.407  -0.226   4.431
  190   1HB   ARG  22           HB2      ARG  22 -11.517  -2.201   2.972
  191   2HB   ARG  22           HB1      ARG  22 -12.073  -3.180   4.332
  192   1HG   ARG  22           HG2      ARG  22 -14.007  -2.493   3.024
  193   2HG   ARG  22           HG1      ARG  22 -14.035  -1.645   4.572
  194   1HD   ARG  22           HD2      ARG  22 -13.221   0.376   3.591
  195   2HD   ARG  22           HD1      ARG  22 -12.784  -0.449   2.093
  196    HE   ARG  22           HE       ARG  22 -15.536  -0.862   2.368
  197   1HH1  ARG  22          HH21      ARG  22 -13.272   1.656   1.807
  198   2HH1  ARG  22          HH22      ARG  22 -14.464   2.793   1.275
  199   1HH2  ARG  22          HH11      ARG  22 -17.140   0.672   1.881
  200   2HH2  ARG  22          HH12      ARG  22 -16.656   2.236   1.316
  201    H    ARG  23           HN       ARG  23 -11.905   0.775   6.360
  202    HA   ARG  23           HA       ARG  23 -12.615   0.892   8.659
  203   1HB   ARG  23           HB2      ARG  23 -15.252  -0.102   8.023
  204   2HB   ARG  23           HB1      ARG  23 -14.725   1.559   8.291
  205   1HG   ARG  23           HG2      ARG  23 -14.227   1.897   5.999
  206   2HG   ARG  23           HG1      ARG  23 -14.216   0.168   5.659
  207   1HD   ARG  23           HD2      ARG  23 -16.762   1.282   6.726
  208   2HD   ARG  23           HD1      ARG  23 -16.329   1.748   5.081
  209    HE   ARG  23           HE       ARG  23 -15.938  -0.998   5.120
  210   1HH1  ARG  23          HH21      ARG  23 -18.416   1.257   4.776
  211   2HH1  ARG  23          HH22      ARG  23 -19.706   0.103   4.853
  212   1HH2  ARG  23          HH11      ARG  23 -17.638  -2.549   5.702
  213   2HH2  ARG  23          HH12      ARG  23 -19.265  -2.052   5.377
  214    H    ALA  24           HN       ALA  24 -11.329  -0.996   9.464
  215    HA   ALA  24           HA       ALA  24 -12.092  -3.657   9.550
  216   1HB   ALA  24           HB3      ALA  24 -10.097  -2.501  10.710
  217   2HB   ALA  24           HB2      ALA  24 -11.200  -2.237  12.061
  218   3HB   ALA  24           HB1      ALA  24 -10.822  -3.879  11.539
  219    H    ALA  25           HN       ALA  25 -13.213  -1.146  11.850
  220    HA   ALA  25           HA       ALA  25 -15.215  -2.959  12.969
  221   1HB   ALA  25           HB1      ALA  25 -14.648  -0.009  13.353
  222   2HB   ALA  25           HB3      ALA  25 -15.952  -0.857  14.184
  223   3HB   ALA  25           HB2      ALA  25 -14.276  -1.326  14.466
  224    H    ASP  26           HN       ASP  26 -17.539  -1.739  13.164
  225    HA   ASP  26           HA       ASP  26 -18.543  -1.684  10.428
  226   1HB   ASP  26           HB2      ASP  26 -19.639  -2.131  13.000
  227   2HB   ASP  26           HB1      ASP  26 -20.452  -0.701  12.364
  228    H    ALA  27           HN       ALA  27 -18.051   0.128   9.254
  229    HA   ALA  27           HA       ALA  27 -18.165   2.774  10.613
  230   1HB   ALA  27           HB2      ALA  27 -16.542   1.637   8.524
  231   2HB   ALA  27           HB1      ALA  27 -17.365   3.071   7.914
  232   3HB   ALA  27           HB3      ALA  27 -16.347   3.181   9.349
  233    H    HIS  28           HN       HIS  28 -19.028   4.570   9.125
  234    HA   HIS  28           HA       HIS  28 -21.418   3.606   7.618
  235   1HB   HIS  28           HB2      HIS  28 -22.332   5.970   8.504
  236   2HB   HIS  28           HB1      HIS  28 -22.545   4.486   9.432
  237    HD1  HIS  28           HD1      HIS  28 -19.793   7.143   9.060
  238    HD2  HIS  28           HD2      HIS  28 -21.660   4.821  12.016
  239    HE1  HIS  28           HE1      HIS  28 -18.746   7.788  11.293
  240    H    MET  29           HN       MET  29 -18.555   4.725   7.084
  241    HA   MET  29           HA       MET  29 -19.446   6.820   5.158
  242   1HB   MET  29           HB2      MET  29 -17.109   6.712   7.006
  243   2HB   MET  29           HB1      MET  29 -16.850   7.441   5.419
  244   1HG   MET  29           HG2      MET  29 -19.157   8.653   6.025
  245   2HG   MET  29           HG1      MET  29 -18.583   8.360   7.667
  246   1HE   MET  29           HE1      MET  29 -17.533   9.951   8.849
  247   2HE   MET  29           HE3      MET  29 -16.046   9.076   8.463
  248   3HE   MET  29           HE2      MET  29 -16.077  10.836   8.402
  249    H    ALA  30           HN       ALA  30 -16.151   5.857   4.973
  250    HA   ALA  30           HA       ALA  30 -15.823   3.567   3.645
  251   1HB   ALA  30           HB3      ALA  30 -17.470   5.363   1.894
  252   2HB   ALA  30           HB2      ALA  30 -16.332   4.231   1.165
  253   3HB   ALA  30           HB1      ALA  30 -17.638   3.631   2.186
  254    H    ASN  31           HN       ASN  31 -14.985   6.796   4.002
  255    HA   ASN  31           HA       ASN  31 -12.970   6.948   1.902
  256   1HB   ASN  31           HB2      ASN  31 -14.088   8.931   3.073
  257   2HB   ASN  31           HB1      ASN  31 -13.047   8.578   4.453
  258   1HD2  ASN  31          HD22      ASN  31 -11.303  11.038   2.193
  259   2HD2  ASN  31          HD21      ASN  31 -12.800  11.040   2.992
  260    H    LYS  32           HN       LYS  32 -13.134   4.919   4.410
  261    HA   LYS  32           HA       LYS  32 -10.482   5.210   5.571
  262   1HB   LYS  32           HB2      LYS  32 -12.776   4.099   6.435
  263   2HB   LYS  32           HB1      LYS  32 -11.980   2.660   5.796
  264   1HG   LYS  32           HG2      LYS  32 -10.183   4.363   7.363
  265   2HG   LYS  32           HG1      LYS  32 -11.543   3.746   8.301
  266   1HD   LYS  32           HD2      LYS  32 -10.993   1.484   7.804
  267   2HD   LYS  32           HD1      LYS  32  -9.864   1.960   6.536
  268   1HE   LYS  32           HE2      LYS  32  -9.392   2.946   9.324
  269   2HE   LYS  32           HE1      LYS  32  -8.977   1.278   8.935
  270   1HZ   LYS  32           HZ3      LYS  32  -8.017   2.761   6.839
  271   2HZ   LYS  32           HZ2      LYS  32  -7.638   3.683   8.215
  272   3HZ   LYS  32           HZ1      LYS  32  -7.103   2.074   8.092
  273    H    LEU  33           HN       LEU  33  -9.697   5.116   3.084
  274    HA   LEU  33           HA       LEU  33  -8.928   2.267   2.595
  275   1HB   LEU  33           HB2      LEU  33  -9.617   4.424   0.584
  276   2HB   LEU  33           HB1      LEU  33  -8.718   2.985   0.134
  277    HG   LEU  33           HG       LEU  33 -11.558   3.206   1.104
  278   1HD1  LEU  33          HD13      LEU  33 -10.932   3.301  -1.341
  279   2HD1  LEU  33          HD12      LEU  33 -10.290   1.667  -1.182
  280   3HD1  LEU  33          HD11      LEU  33 -12.009   1.968  -0.926
  281   1HD2  LEU  33          HD23      LEU  33  -9.686   0.839   1.241
  282   2HD2  LEU  33          HD22      LEU  33 -10.788   1.437   2.480
  283   3HD2  LEU  33          HD21      LEU  33 -11.425   0.615   1.056
  284    H    GLU  34           HN       GLU  34  -6.937   2.556   3.749
  285    HA   GLU  34           HA       GLU  34  -5.127   4.705   2.822
  286   1HB   GLU  34           HB2      GLU  34  -5.447   3.702   5.284
  287   2HB   GLU  34           HB1      GLU  34  -4.203   2.589   4.711
  288   1HG   GLU  34           HG2      GLU  34  -3.201   4.973   3.836
  289   2HG   GLU  34           HG1      GLU  34  -4.012   5.474   5.321
  290    H    PHE  35           HN       PHE  35  -2.780   2.832   3.381
  291    HA   PHE  35           HA       PHE  35  -3.008   1.000   1.070
  292   1HB   PHE  35           HB2      PHE  35  -0.794   3.052   1.292
  293   2HB   PHE  35           HB1      PHE  35  -1.016   1.876  -0.004
  294    HD1  PHE  35           HD1      PHE  35  -3.119   1.990  -1.420
  295    HD2  PHE  35           HD2      PHE  35  -1.949   5.126   1.270
  296    HE1  PHE  35           HE1      PHE  35  -4.627   3.566  -2.600
  297    HE2  PHE  35           HE2      PHE  35  -3.456   6.698   0.092
  298    HZ   PHE  35           HZ       PHE  35  -4.796   5.919  -1.843
  299    HA   PRO  36           HA       PRO  36  -0.787  -1.419   4.079
  300   1HB   PRO  36           HB2      PRO  36  -0.366  -3.524   2.271
  301   2HB   PRO  36           HB1      PRO  36  -1.756  -3.352   3.340
  302   1HG   PRO  36           HG2      PRO  36  -1.610  -2.906   0.417
  303   2HG   PRO  36           HG1      PRO  36  -3.022  -3.225   1.437
  304   1HD   PRO  36           HD2      PRO  36  -2.334  -0.734   0.348
  305   2HD   PRO  36           HD1      PRO  36  -3.479  -1.007   1.686
  306    H    GLY  37           HN       GLY  37   1.175  -0.034   4.061
  307   1HA   GLY  37           HA2      GLY  37   3.268  -1.095   2.219
  308   2HA   GLY  37           HA1      GLY  37   3.124   0.637   2.493
  309    H    GLY  38           HN       GLY  38   5.033  -1.826   3.275
  310   1HA   GLY  38           HA2      GLY  38   5.327  -1.048   6.131
  311   2HA   GLY  38           HA1      GLY  38   5.930  -2.550   5.438
  312    H    LYS  39           HN       LYS  39   6.320   0.718   4.089
  313    HA   LYS  39           HA       LYS  39   8.240   1.967   3.626
  314   1HB   LYS  39           HB2      LYS  39   8.560   2.185   5.949
  315   2HB   LYS  39           HB1      LYS  39   9.026   0.499   6.139
  316   1HG   LYS  39           HG2      LYS  39  11.095   1.571   6.245
  317   2HG   LYS  39           HG1      LYS  39  11.013   1.182   4.532
  318   1HD   LYS  39           HD2      LYS  39  10.317   3.401   3.970
  319   2HD   LYS  39           HD1      LYS  39  10.030   3.803   5.660
  320   1HE   LYS  39           HE2      LYS  39  12.766   2.869   4.936
  321   2HE   LYS  39           HE1      LYS  39  12.308   4.487   4.413
  322   1HZ   LYS  39           HZ1      LYS  39  11.606   3.830   7.142
  323   2HZ   LYS  39           HZ3      LYS  39  13.272   3.910   6.837
  324   3HZ   LYS  39           HZ2      LYS  39  12.284   5.251   6.505
  325    H    ILE  40           HN       ILE  40   9.480   1.581   1.883
  326    HA   ILE  40           HA       ILE  40  10.611  -1.113   1.463
  327    HB   ILE  40           HB       ILE  40  10.010  -0.368  -0.611
  328   1HG1  ILE  40          HG12      ILE  40  12.646  -0.579  -0.338
  329   2HG1  ILE  40          HG11      ILE  40  11.935  -0.065  -1.867
  330   1HG2  ILE  40          HG22      ILE  40  10.490   2.355   0.529
  331   2HG2  ILE  40          HG21      ILE  40  10.526   2.172  -1.223
  332   3HG2  ILE  40          HG23      ILE  40   9.079   1.733  -0.321
  333   1HD1  ILE  40          HD13      ILE  40  12.506   2.070   0.132
  334   2HD1  ILE  40          HD12      ILE  40  13.899   1.317  -0.645
  335   3HD1  ILE  40          HD11      ILE  40  12.661   2.104  -1.624
  336    H    GLU  41           HN       GLU  41  12.709  -1.649   1.861
  337    HA   GLU  41           HA       GLU  41  14.838   0.270   1.948
  338   1HB   GLU  41           HB2      GLU  41  15.084   0.769   4.179
  339   2HB   GLU  41           HB1      GLU  41  13.332   0.606   4.112
  340   1HG   GLU  41           HG2      GLU  41  13.976  -1.970   4.591
  341   2HG   GLU  41           HG1      GLU  41  15.354  -1.186   5.369
  342    H    MET  42           HN       MET  42  13.633  -2.945   2.641
  343    HA   MET  42           HA       MET  42  16.004  -4.260   3.407
  344   1HB   MET  42           HB2      MET  42  13.432  -5.035   2.679
  345   2HB   MET  42           HB1      MET  42  14.452  -5.778   1.447
  346   1HG   MET  42           HG2      MET  42  14.503  -7.400   3.121
  347   2HG   MET  42           HG1      MET  42  15.944  -6.460   3.504
  348   1HE   MET  42           HE1      MET  42  12.353  -6.436   3.580
  349   2HE   MET  42           HE3      MET  42  11.957  -6.925   5.233
  350   3HE   MET  42           HE2      MET  42  11.954  -5.219   4.791
  351    H    GLY  43           HN       GLY  43  17.897  -4.644   2.332
  352   1HA   GLY  43           HA2      GLY  43  19.428  -4.834   0.557
  353   2HA   GLY  43           HA1      GLY  43  18.045  -5.066  -0.517
  354    H    GLU  44           HN       GLU  44  17.921  -3.531  -2.044
  355    HA   GLU  44           HA       GLU  44  17.967  -0.713  -1.396
  356   1HB   GLU  44           HB2      GLU  44  19.962  -0.267  -2.979
  357   2HB   GLU  44           HB1      GLU  44  20.332  -0.838  -1.353
  358   1HG   GLU  44           HG2      GLU  44  19.912  -2.856  -3.527
  359   2HG   GLU  44           HG1      GLU  44  21.448  -1.992  -3.456
  360    H    THR  45           HN       THR  45  16.503  -2.911  -2.945
  361    HA   THR  45           HA       THR  45  16.044  -1.261  -5.378
  362    HB   THR  45           HB       THR  45  16.606  -4.242  -5.289
  363    HG1  THR  45           HG1      THR  45  18.424  -3.667  -6.139
  364   1HG2  THR  45          HG23      THR  45  14.680  -3.025  -6.867
  365   2HG2  THR  45          HG22      THR  45  16.096  -3.056  -7.915
  366   3HG2  THR  45          HG21      THR  45  15.479  -4.554  -7.222
  367    HA   PRO  46           HA       PRO  46  11.860  -1.634  -4.045
  368   1HB   PRO  46           HB2      PRO  46  11.007  -1.928  -6.824
  369   2HB   PRO  46           HB1      PRO  46  10.723  -0.593  -5.696
  370   1HG   PRO  46           HG2      PRO  46  12.546  -0.604  -7.890
  371   2HG   PRO  46           HG1      PRO  46  12.389   0.645  -6.645
  372   1HD   PRO  46           HD2      PRO  46  14.560  -1.222  -7.008
  373   2HD   PRO  46           HD1      PRO  46  14.397   0.031  -5.762
  374    H    GLU  47           HN       GLU  47  13.468  -4.063  -5.953
  375    HA   GLU  47           HA       GLU  47  11.223  -5.939  -5.810
  376   1HB   GLU  47           HB2      GLU  47  13.814  -5.845  -7.108
  377   2HB   GLU  47           HB1      GLU  47  13.616  -7.376  -6.248
  378   1HG   GLU  47           HG2      GLU  47  11.398  -7.667  -7.356
  379   2HG   GLU  47           HG1      GLU  47  11.692  -6.189  -8.275
  380    H    GLN  48           HN       GLN  48  14.538  -6.534  -4.613
  381    HA   GLN  48           HA       GLN  48  13.796  -8.279  -2.553
  382   1HB   GLN  48           HB2      GLN  48  16.086  -6.304  -2.716
  383   2HB   GLN  48           HB1      GLN  48  15.899  -7.439  -1.367
  384   1HG   GLN  48           HG2      GLN  48  15.799  -9.309  -3.043
  385   2HG   GLN  48           HG1      GLN  48  16.204  -8.139  -4.299
  386   1HE2  GLN  48          HE22      GLN  48  19.343  -7.656  -2.015
  387   2HE2  GLN  48          HE21      GLN  48  17.895  -6.773  -1.960
  388    H    ALA  49           HN       ALA  49  13.680  -4.790  -2.624
  389    HA   ALA  49           HA       ALA  49  13.317  -4.394   0.188
  390   1HB   ALA  49           HB3      ALA  49  12.980  -2.758  -2.265
  391   2HB   ALA  49           HB2      ALA  49  12.079  -2.244  -0.843
  392   3HB   ALA  49           HB1      ALA  49  13.836  -2.384  -0.770
  393    H    VAL  50           HN       VAL  50  10.865  -4.173  -2.433
  394    HA   VAL  50           HA       VAL  50   8.692  -4.192  -0.538
  395    HB   VAL  50           HB       VAL  50   8.715  -3.307  -2.943
  396   1HG1  VAL  50          HG13      VAL  50   9.549  -5.465  -3.933
  397   2HG1  VAL  50          HG12      VAL  50   8.003  -6.200  -3.524
  398   3HG1  VAL  50          HG11      VAL  50   8.071  -4.876  -4.687
  399   1HG2  VAL  50          HG23      VAL  50   6.694  -4.035  -1.269
  400   2HG2  VAL  50          HG22      VAL  50   6.447  -3.246  -2.827
  401   3HG2  VAL  50          HG21      VAL  50   6.310  -4.999  -2.694
  402    H    VAL  51           HN       VAL  51  10.032  -6.637  -2.649
  403    HA   VAL  51           HA       VAL  51   8.308  -8.784  -2.078
  404    HB   VAL  51           HB       VAL  51  10.249  -8.471  -3.824
  405   1HG1  VAL  51          HG13      VAL  51  11.644  -9.888  -1.544
  406   2HG1  VAL  51          HG12      VAL  51  12.285  -9.698  -3.177
  407   3HG1  VAL  51          HG11      VAL  51  12.030  -8.282  -2.158
  408   1HG2  VAL  51          HG22      VAL  51   8.659 -10.550  -3.165
  409   2HG2  VAL  51          HG21      VAL  51   9.894 -10.643  -4.420
  410   3HG2  VAL  51          HG23      VAL  51  10.235 -11.254  -2.801
  411    H    ARG  52           HN       ARG  52  11.401  -7.915  -0.499
  412    HA   ARG  52           HA       ARG  52  11.203 -10.050   1.458
  413   1HB   ARG  52           HB2      ARG  52  12.893  -7.532   1.402
  414   2HB   ARG  52           HB1      ARG  52  13.079  -8.819   2.577
  415   1HG   ARG  52           HG2      ARG  52  13.067 -10.086   0.059
  416   2HG   ARG  52           HG1      ARG  52  14.112  -8.677  -0.113
  417   1HD   ARG  52           HD2      ARG  52  15.693  -9.528   1.259
  418   2HD   ARG  52           HD1      ARG  52  14.503 -10.117   2.416
  419    HE   ARG  52           HE       ARG  52  14.256 -11.854   0.269
  420   1HH1  ARG  52          HH11      ARG  52  15.806 -11.889   3.125
  421   2HH1  ARG  52          HH12      ARG  52  17.173 -12.830   2.632
  422   1HH2  ARG  52          HH21      ARG  52  16.462 -12.581  -0.752
  423   2HH2  ARG  52          HH22      ARG  52  17.545 -13.221   0.440
  424    H    GLU  53           HN       GLU  53  10.358  -6.653   1.293
  425    HA   GLU  53           HA       GLU  53   9.592  -6.284   4.044
  426   1HB   GLU  53           HB2      GLU  53   8.713  -4.932   1.483
  427   2HB   GLU  53           HB1      GLU  53   8.146  -4.433   3.075
  428   1HG   GLU  53           HG2      GLU  53  11.078  -4.739   2.729
  429   2HG   GLU  53           HG1      GLU  53  10.317  -3.371   1.915
  430    H    LEU  54           HN       LEU  54   8.262  -7.899   1.354
  431    HA   LEU  54           HA       LEU  54   5.495  -7.882   2.203
  432   1HB   LEU  54           HB2      LEU  54   7.105  -8.777  -0.050
  433   2HB   LEU  54           HB1      LEU  54   5.937 -10.009   0.403
  434    HG   LEU  54           HG       LEU  54   4.848  -8.573  -1.193
  435   1HD1  LEU  54          HD11      LEU  54   3.884  -8.995   1.342
  436   2HD1  LEU  54          HD13      LEU  54   3.714  -7.249   1.180
  437   3HD1  LEU  54          HD12      LEU  54   2.939  -8.323   0.013
  438   1HD2  LEU  54          HD22      LEU  54   6.081  -6.394   0.487
  439   2HD2  LEU  54          HD21      LEU  54   6.163  -6.622  -1.259
  440   3HD2  LEU  54          HD23      LEU  54   4.669  -6.057  -0.513
  441    H    GLN  55           HN       GLN  55   7.807 -10.568   1.843
  442    HA   GLN  55           HA       GLN  55   6.304 -12.435   3.381
  443   1HB   GLN  55           HB2      GLN  55   8.841 -13.308   3.820
  444   2HB   GLN  55           HB1      GLN  55   7.978 -13.588   2.314
  445   1HG   GLN  55           HG2      GLN  55   9.193 -12.007   1.157
  446   2HG   GLN  55           HG1      GLN  55   9.477 -11.016   2.590
  447   1HE2  GLN  55          HE22      GLN  55  12.476 -13.246   1.455
  448   2HE2  GLN  55          HE21      GLN  55  11.302 -12.516   0.470
  449    H    GLU  56           HN       GLU  56   8.922 -10.221   4.410
  450    HA   GLU  56           HA       GLU  56   9.143 -11.073   7.083
  451   1HB   GLU  56           HB2      GLU  56   9.852  -8.705   7.580
  452   2HB   GLU  56           HB1      GLU  56  10.707  -9.445   6.229
  453   1HG   GLU  56           HG2      GLU  56  10.158  -7.472   5.230
  454   2HG   GLU  56           HG1      GLU  56   8.669  -8.340   4.870
  455    H    GLU  57           HN       GLU  57   6.531  -9.408   5.540
  456    HA   GLU  57           HA       GLU  57   5.454  -8.337   8.034
  457   1HB   GLU  57           HB2      GLU  57   4.712  -8.288   5.168
  458   2HB   GLU  57           HB1      GLU  57   3.355  -8.242   6.301
  459   1HG   GLU  57           HG2      GLU  57   3.865  -6.148   6.990
  460   2HG   GLU  57           HG1      GLU  57   5.569  -6.554   7.143
  461    H    VAL  58           HN       VAL  58   3.353 -10.137   5.906
  462    HA   VAL  58           HA       VAL  58   2.335 -11.652   8.174
  463    HB   VAL  58           HB       VAL  58   1.648 -11.764   5.236
  464   1HG1  VAL  58          HG12      VAL  58   0.588 -13.083   7.676
  465   2HG1  VAL  58          HG11      VAL  58  -0.602 -12.458   6.533
  466   3HG1  VAL  58          HG13      VAL  58   0.590 -13.644   6.004
  467   1HG2  VAL  58          HG21      VAL  58   0.732 -10.075   7.557
  468   2HG2  VAL  58          HG23      VAL  58   1.211  -9.557   5.941
  469   3HG2  VAL  58          HG22      VAL  58  -0.335 -10.370   6.184
  470    H    GLY  59           HN       GLY  59   3.094 -13.038   4.942
  471   1HA   GLY  59           HA2      GLY  59   5.276 -14.521   5.211
  472   2HA   GLY  59           HA1      GLY  59   4.286 -15.326   6.419
  473    H    ILE  60           HN       ILE  60   2.835 -14.152   3.393
  474    HA   ILE  60           HA       ILE  60   2.118 -16.951   2.786
  475    HB   ILE  60           HB       ILE  60   0.960 -15.926   0.753
  476   1HG1  ILE  60          HG12      ILE  60   0.741 -13.276   1.601
  477   2HG1  ILE  60          HG11      ILE  60   2.463 -13.634   1.700
  478   1HG2  ILE  60          HG21      ILE  60   0.312 -15.718   3.559
  479   2HG2  ILE  60          HG23      ILE  60  -0.407 -14.390   2.653
  480   3HG2  ILE  60          HG22      ILE  60  -0.743 -16.054   2.187
  481   1HD1  ILE  60          HD11      ILE  60   0.770 -14.269  -0.726
  482   2HD1  ILE  60          HD13      ILE  60   1.699 -12.780  -0.555
  483   3HD1  ILE  60          HD12      ILE  60   2.529 -14.336  -0.604
  484    H    THR  61           HN       THR  61   2.368 -16.295  -0.258
  485    HA   THR  61           HA       THR  61   5.314 -16.266  -0.440
  486    HB   THR  61           HB       THR  61   3.574 -18.611  -1.105
  487    HG1  THR  61           HG1      THR  61   4.749 -19.042   0.598
  488   1HG2  THR  61          HG21      THR  61   4.698 -17.891  -3.246
  489   2HG2  THR  61          HG23      THR  61   6.249 -18.067  -2.426
  490   3HG2  THR  61          HG22      THR  61   5.214 -19.475  -2.669
  491    HA   PRO  62           HA       PRO  62   3.786 -15.554  -4.891
  492   1HB   PRO  62           HB2      PRO  62   1.021 -15.832  -5.276
  493   2HB   PRO  62           HB1      PRO  62   2.264 -16.987  -5.789
  494   1HG   PRO  62           HG2      PRO  62   0.361 -17.209  -3.545
  495   2HG   PRO  62           HG1      PRO  62   1.319 -18.476  -4.326
  496   1HD   PRO  62           HD2      PRO  62   1.830 -17.338  -1.789
  497   2HD   PRO  62           HD1      PRO  62   2.930 -18.361  -2.729
  498    H    GLN  63           HN       GLN  63   1.882 -14.051  -5.904
  499    HA   GLN  63           HA       GLN  63   0.198 -12.291  -5.032
  500   1HB   GLN  63           HB2      GLN  63   1.305 -10.471  -3.742
  501   2HB   GLN  63           HB1      GLN  63   1.251 -11.975  -2.835
  502   1HG   GLN  63           HG2      GLN  63   3.479 -11.863  -2.600
  503   2HG   GLN  63           HG1      GLN  63   3.636 -12.064  -4.343
  504   1HE2  GLN  63          HE22      GLN  63   3.342  -8.116  -3.264
  505   2HE2  GLN  63          HE21      GLN  63   2.166  -9.216  -2.733
  506    H    HIS  64           HN       HIS  64   3.434 -12.613  -6.221
  507    HA   HIS  64           HA       HIS  64   4.508 -11.575  -8.034
  508   1HB   HIS  64           HB2      HIS  64   1.793 -12.044  -8.683
  509   2HB   HIS  64           HB1      HIS  64   2.178 -10.428  -9.293
  510    HD1  HIS  64           HD1      HIS  64   3.683 -13.952  -9.331
  511    HD2  HIS  64           HD2      HIS  64   3.542 -10.490 -11.699
  512    HE1  HIS  64           HE1      HIS  64   4.884 -14.488 -11.514
  513    H    PHE  65           HN       PHE  65   3.870  -9.147  -9.356
  514    HA   PHE  65           HA       PHE  65   3.015  -7.074  -7.629
  515   1HB   PHE  65           HB2      PHE  65   5.347  -6.169  -7.040
  516   2HB   PHE  65           HB1      PHE  65   4.780  -7.566  -6.119
  517    HD1  PHE  65           HD1      PHE  65   6.740  -6.669  -9.183
  518    HD2  PHE  65           HD2      PHE  65   6.081  -9.518  -6.038
  519    HE1  PHE  65           HE1      PHE  65   8.705  -7.970  -9.950
  520    HE2  PHE  65           HE2      PHE  65   8.048 -10.819  -6.804
  521    HZ   PHE  65           HZ       PHE  65   9.359 -10.046  -8.761
  522    H    SER  66           HN       SER  66   3.086  -5.097  -8.650
  523    HA   SER  66           HA       SER  66   4.782  -4.763 -11.050
  524   1HB   SER  66           HB2      SER  66   2.345  -3.692 -11.865
  525   2HB   SER  66           HB1      SER  66   3.059  -5.193 -12.432
  526    HG   SER  66           HG       SER  66   0.819  -4.912 -11.147
  527    H    LEU  67           HN       LEU  67   4.917  -2.456 -11.651
  528    HA   LEU  67           HA       LEU  67   4.922  -0.777  -9.283
  529   1HB   LEU  67           HB2      LEU  67   6.379  -0.735 -11.545
  530   2HB   LEU  67           HB1      LEU  67   5.173   0.477 -11.968
  531    HG   LEU  67           HG       LEU  67   7.339   0.588  -9.938
  532   1HD1  LEU  67          HD13      LEU  67   7.163   1.936 -12.072
  533   2HD1  LEU  67          HD12      LEU  67   5.788   2.771 -11.348
  534   3HD1  LEU  67          HD11      LEU  67   7.384   2.896 -10.609
  535   1HD2  LEU  67          HD23      LEU  67   4.538   1.605  -9.408
  536   2HD2  LEU  67          HD22      LEU  67   5.588   0.685  -8.328
  537   3HD2  LEU  67          HD21      LEU  67   5.952   2.373  -8.687
  538    H    PHE  68           HN       PHE  68   3.425  -0.056 -12.404
  539    HA   PHE  68           HA       PHE  68   1.272   0.704 -12.934
  540   1HB   PHE  68           HB2      PHE  68  -0.267  -0.072 -11.489
  541   2HB   PHE  68           HB1      PHE  68   0.913  -0.193 -10.204
  542    HD1  PHE  68           HD2      PHE  68  -1.245   2.269 -12.001
  543    HD2  PHE  68           HD1      PHE  68   0.793   1.281  -8.352
  544    HE1  PHE  68           HE2      PHE  68  -2.304   4.211 -10.884
  545    HE2  PHE  68           HE1      PHE  68  -0.269   3.226  -7.236
  546    HZ   PHE  68           HZ       PHE  68  -1.817   4.691  -8.504
  547    H    GLU  69           HN       GLU  69   2.702   2.241 -10.042
  548    HA   GLU  69           HA       GLU  69   3.686   4.563 -11.068
  549   1HB   GLU  69           HB2      GLU  69   0.771   4.578 -11.363
  550   2HB   GLU  69           HB1      GLU  69   1.364   5.964 -10.447
  551   1HG   GLU  69           HG2      GLU  69   3.124   6.238 -12.292
  552   2HG   GLU  69           HG1      GLU  69   2.153   5.112 -13.237
  553    H    LYS  70           HN       LYS  70   3.445   6.512  -9.402
  554    HA   LYS  70           HA       LYS  70   2.612   5.700  -6.724
  555   1HB   LYS  70           HB2      LYS  70   5.139   6.242  -5.994
  556   2HB   LYS  70           HB1      LYS  70   4.589   4.609  -6.337
  557   1HG   LYS  70           HG2      LYS  70   6.497   4.730  -7.639
  558   2HG   LYS  70           HG1      LYS  70   5.282   5.210  -8.811
  559   1HD   LYS  70           HD2      LYS  70   7.224   6.739  -8.856
  560   2HD   LYS  70           HD1      LYS  70   5.761   7.583  -8.347
  561   1HE   LYS  70           HE2      LYS  70   6.479   7.799  -6.159
  562   2HE   LYS  70           HE1      LYS  70   7.467   6.340  -6.230
  563   1HZ   LYS  70           HZ3      LYS  70   8.095   8.866  -7.657
  564   2HZ   LYS  70           HZ2      LYS  70   8.781   8.402  -6.172
  565   3HZ   LYS  70           HZ1      LYS  70   9.070   7.481  -7.570
  566    H    LEU  71           HN       LEU  71   4.022   7.476  -5.188
  567    HA   LEU  71           HA       LEU  71   3.924  10.099  -6.545
  568   1HB   LEU  71           HB2      LEU  71   2.521  10.934  -4.525
  569   2HB   LEU  71           HB1      LEU  71   1.686  10.078  -5.819
  570    HG   LEU  71           HG       LEU  71   1.675   8.020  -4.543
  571   1HD1  LEU  71          HD11      LEU  71   3.541   9.557  -2.754
  572   2HD1  LEU  71          HD13      LEU  71   2.565   8.249  -2.088
  573   3HD1  LEU  71          HD12      LEU  71   3.708   7.920  -3.390
  574   1HD2  LEU  71          HD23      LEU  71  -0.092   9.690  -4.020
  575   2HD2  LEU  71          HD22      LEU  71   0.313   8.711  -2.610
  576   3HD2  LEU  71          HD21      LEU  71   0.933  10.356  -2.749
  577    H    GLU  72           HN       GLU  72   4.815  11.815  -5.162
  578    HA   GLU  72           HA       GLU  72   6.423  10.852  -2.852
  579   1HB   GLU  72           HB2      GLU  72   7.601  11.250  -5.306
  580   2HB   GLU  72           HB1      GLU  72   7.776  12.843  -4.570
  581   1HG   GLU  72           HG2      GLU  72   9.007  11.983  -2.732
  582   2HG   GLU  72           HG1      GLU  72   8.518  10.318  -3.067
  583    H    TYR  73           HN       TYR  73   4.927  11.972  -1.528
  584    HA   TYR  73           HA       TYR  73   4.351  14.795  -2.043
  585   1HB   TYR  73           HB2      TYR  73   3.056  12.733  -0.676
  586   2HB   TYR  73           HB1      TYR  73   3.630  13.803   0.603
  587    HD1  TYR  73           HD2      TYR  73   3.600  16.378  -1.066
  588    HD2  TYR  73           HD1      TYR  73   0.714  13.245  -0.529
  589    HE1  TYR  73           HE2      TYR  73   1.774  17.969  -1.597
  590    HE2  TYR  73           HE1      TYR  73  -1.114  14.834  -1.061
  591    HH   TYR  73           HH       TYR  73  -1.630  16.904  -1.669
  592    H    GLU  74           HN       GLU  74   5.730  16.361  -1.424
  593    HA   GLU  74           HA       GLU  74   7.599  15.742   0.815
  594   1HB   GLU  74           HB2      GLU  74   8.371  16.355  -1.636
  595   2HB   GLU  74           HB1      GLU  74   8.035  18.003  -1.111
  596   1HG   GLU  74           HG2      GLU  74   9.466  17.390   0.977
  597   2HG   GLU  74           HG1      GLU  74  10.060  16.063  -0.021
  598    H    PHE  75           HN       PHE  75   8.047  17.525   2.336
  599    HA   PHE  75           HA       PHE  75   6.101  19.755   2.211
  600   1HB   PHE  75           HB2      PHE  75   6.434  17.901   4.581
  601   2HB   PHE  75           HB1      PHE  75   5.535  19.418   4.619
  602    HD1  PHE  75           HD1      PHE  75   3.804  19.717   2.613
  603    HD2  PHE  75           HD2      PHE  75   5.252  15.958   4.102
  604    HE1  PHE  75           HE1      PHE  75   1.815  18.577   1.670
  605    HE2  PHE  75           HE2      PHE  75   3.263  14.818   3.158
  606    HZ   PHE  75           HZ       PHE  75   1.544  16.127   1.941
  607    HA   PRO  76           HA       PRO  76   9.241  22.060   4.637
  608   1HB   PRO  76           HB2      PRO  76  10.440  20.622   6.808
  609   2HB   PRO  76           HB1      PRO  76   9.317  21.986   6.905
  610   1HG   PRO  76           HG2      PRO  76   8.798  19.213   7.515
  611   2HG   PRO  76           HG1      PRO  76   7.689  20.584   7.647
  612   1HD   PRO  76           HD2      PRO  76   7.653  18.479   5.698
  613   2HD   PRO  76           HD1      PRO  76   6.566  19.876   5.823
  614    H    ASP  77           HN       ASP  77  10.192  18.643   4.893
  615    HA   ASP  77           HA       ASP  77  12.234  18.878   2.873
  616   1HB   ASP  77           HB2      ASP  77  13.093  19.892   5.263
  617   2HB   ASP  77           HB1      ASP  77  13.544  18.196   5.441
  618    H    ARG  78           HN       ARG  78   9.957  17.196   3.758
  619    HA   ARG  78           HA       ARG  78  11.360  14.619   4.286
  620   1HB   ARG  78           HB2      ARG  78   8.680  15.720   4.947
  621   2HB   ARG  78           HB1      ARG  78   8.736  14.003   4.543
  622   1HG   ARG  78           HG2      ARG  78  10.358  15.413   6.682
  623   2HG   ARG  78           HG1      ARG  78   9.058  14.249   6.942
  624   1HD   ARG  78           HD2      ARG  78  10.695  12.821   5.293
  625   2HD   ARG  78           HD1      ARG  78  11.877  13.787   6.175
  626    HE   ARG  78           HE       ARG  78  10.833  11.521   7.275
  627   1HH1  ARG  78          HH11      ARG  78  12.065  14.155   8.611
  628   2HH1  ARG  78          HH12      ARG  78  11.024  14.249   9.992
  629   1HH2  ARG  78          HH21      ARG  78   8.747  11.944   8.761
  630   2HH2  ARG  78          HH22      ARG  78   9.146  12.997  10.076
  631    H    HIS  79           HN       HIS  79  12.018  14.259   2.095
  632    HA   HIS  79           HA       HIS  79  10.029  14.228  -0.054
  633   1HB   HIS  79           HB2      HIS  79  12.799  14.395   0.044
  634   2HB   HIS  79           HB1      HIS  79  12.518  12.753  -0.535
  635    HD1  HIS  79           HD1      HIS  79  13.558  13.783  -2.844
  636    HD2  HIS  79           HD2      HIS  79   9.746  15.126  -1.719
  637    HE1  HIS  79           HE1      HIS  79  12.496  14.838  -4.908
  638    H    ILE  80           HN       ILE  80   8.524  12.699   1.055
  639    HA   ILE  80           HA       ILE  80   9.510   9.960   1.442
  640    HB   ILE  80           HB       ILE  80   6.668  10.997   1.581
  641   1HG1  ILE  80          HG12      ILE  80   7.555  12.110   3.398
  642   2HG1  ILE  80          HG11      ILE  80   7.326  10.531   4.146
  643   1HG2  ILE  80          HG23      ILE  80   7.832   8.374   1.670
  644   2HG2  ILE  80          HG22      ILE  80   7.157   8.755   3.252
  645   3HG2  ILE  80          HG21      ILE  80   6.135   8.829   1.816
  646   1HD1  ILE  80          HD13      ILE  80   9.687   9.959   3.535
  647   2HD1  ILE  80          HD12      ILE  80   9.895  11.607   2.951
  648   3HD1  ILE  80          HD11      ILE  80   9.568  11.312   4.659
  649    H    THR  81           HN       THR  81   8.963   8.185   0.216
  650    HA   THR  81           HA       THR  81   7.629   8.722  -2.407
  651    HB   THR  81           HB       THR  81   9.494   6.423  -2.121
  652    HG1  THR  81           HG1      THR  81  10.299   9.139  -2.213
  653   1HG2  THR  81          HG21      THR  81   8.354   8.142  -4.200
  654   2HG2  THR  81          HG23      THR  81  10.081   7.860  -4.416
  655   3HG2  THR  81          HG22      THR  81   8.970   6.493  -4.317
  656    H    LEU  82           HN       LEU  82   5.995   7.243  -2.948
  657    HA   LEU  82           HA       LEU  82   5.615   4.978  -1.023
  658   1HB   LEU  82           HB2      LEU  82   3.948   7.143  -1.219
  659   2HB   LEU  82           HB1      LEU  82   3.190   6.017  -2.346
  660    HG   LEU  82           HG       LEU  82   3.779   4.358  -0.251
  661   1HD1  LEU  82          HD11      LEU  82   4.481   6.520   0.978
  662   2HD1  LEU  82          HD13      LEU  82   2.758   6.891   1.032
  663   3HD1  LEU  82          HD12      LEU  82   3.371   5.436   1.817
  664   1HD2  LEU  82          HD21      LEU  82   1.454   5.652  -1.404
  665   2HD2  LEU  82          HD23      LEU  82   1.591   4.037  -0.708
  666   3HD2  LEU  82          HD22      LEU  82   1.234   5.418   0.330
  667    H    TRP  83           HN       TRP  83   6.922   3.844  -2.790
  668    HA   TRP  83           HA       TRP  83   5.992   3.513  -5.446
  669   1HB   TRP  83           HB2      TRP  83   7.211   1.358  -3.690
  670   2HB   TRP  83           HB1      TRP  83   7.178   1.374  -5.453
  671    HD1  TRP  83           HD1      TRP  83   9.041   2.735  -2.491
  672    HE1  TRP  83           HE1      TRP  83  11.068   4.152  -3.287
  673    HE3  TRP  83           HE3      TRP  83   7.957   3.020  -7.470
  674    HZ2  TRP  83           HZ2      TRP  83  12.051   5.245  -5.747
  675    HZ3  TRP  83           HZ3      TRP  83   9.448   4.253  -9.016
  676    HH2  TRP  83           HH2      TRP  83  11.493   5.365  -8.163
  677    H    PHE  84           HN       PHE  84   3.934   2.944  -6.045
  678    HA   PHE  84           HA       PHE  84   2.315   1.212  -4.271
  679   1HB   PHE  84           HB2      PHE  84   1.730   2.778  -6.789
  680   2HB   PHE  84           HB1      PHE  84   0.602   1.573  -6.184
  681    HD1  PHE  84           HD2      PHE  84   2.492   4.626  -5.120
  682    HD2  PHE  84           HD1      PHE  84  -0.923   2.099  -4.487
  683    HE1  PHE  84           HE2      PHE  84   1.584   6.259  -3.488
  684    HE2  PHE  84           HE1      PHE  84  -1.832   3.733  -2.858
  685    HZ   PHE  84           HZ       PHE  84  -0.579   5.812  -2.358
  686    H    TRP  85           HN       TRP  85   3.791  -0.674  -4.680
  687    HA   TRP  85           HA       TRP  85   3.954  -1.732  -7.375
  688   1HB   TRP  85           HB2      TRP  85   4.527  -2.986  -4.677
  689   2HB   TRP  85           HB1      TRP  85   4.873  -3.762  -6.223
  690    HD1  TRP  85           HD1      TRP  85   6.332  -1.426  -3.756
  691    HE1  TRP  85           HE1      TRP  85   8.480  -0.306  -4.684
  692    HE3  TRP  85           HE3      TRP  85   5.919  -2.773  -8.663
  693    HZ2  TRP  85           HZ2      TRP  85   9.808  -0.041  -7.215
  694    HZ3  TRP  85           HZ3      TRP  85   7.635  -2.075 -10.309
  695    HH2  TRP  85           HH2      TRP  85   9.579  -0.715  -9.590
  696    H    LEU  86           HN       LEU  86   1.652  -1.813  -8.006
  697    HA   LEU  86           HA       LEU  86  -0.240  -3.283  -6.394
  698   1HB   LEU  86           HB2      LEU  86  -0.223  -2.184  -9.169
  699   2HB   LEU  86           HB1      LEU  86  -1.414  -3.429  -8.791
  700    HG   LEU  86           HG       LEU  86  -2.445  -1.316  -8.322
  701   1HD1  LEU  86          HD12      LEU  86  -2.248  -3.289  -6.450
  702   2HD1  LEU  86          HD11      LEU  86  -1.664  -1.901  -5.531
  703   3HD1  LEU  86          HD13      LEU  86  -3.266  -1.860  -6.267
  704   1HD2  LEU  86          HD23      LEU  86   0.111  -0.409  -7.915
  705   2HD2  LEU  86          HD22      LEU  86  -1.344   0.503  -7.507
  706   3HD2  LEU  86          HD21      LEU  86  -0.517  -0.440  -6.267
  707    H    VAL  87           HN       VAL  87  -0.437  -5.417  -6.159
  708    HA   VAL  87           HA       VAL  87   0.862  -7.183  -8.205
  709    HB   VAL  87           HB       VAL  87   1.659  -8.529  -6.507
  710   1HG1  VAL  87          HG11      VAL  87   2.349  -6.174  -5.951
  711   2HG1  VAL  87          HG13      VAL  87   1.005  -6.102  -4.811
  712   3HG1  VAL  87          HG12      VAL  87   2.316  -7.251  -4.555
  713   1HG2  VAL  87          HG21      VAL  87  -0.946  -7.894  -5.125
  714   2HG2  VAL  87          HG23      VAL  87  -0.329  -9.460  -5.650
  715   3HG2  VAL  87          HG22      VAL  87   0.374  -8.663  -4.243
  716    H    GLU  88           HN       GLU  88  -0.412  -9.552  -8.000
  717    HA   GLU  88           HA       GLU  88  -3.277  -9.154  -7.488
  718   1HB   GLU  88           HB2      GLU  88  -2.188  -9.350 -10.295
  719   2HB   GLU  88           HB1      GLU  88  -3.858  -9.754  -9.905
  720   1HG   GLU  88           HG2      GLU  88  -3.775  -7.380  -8.696
  721   2HG   GLU  88           HG1      GLU  88  -2.493  -7.091  -9.868
  722    H    ARG  89           HN       ARG  89  -1.236 -11.242  -6.644
  723    HA   ARG  89           HA       ARG  89  -2.986 -13.499  -7.240
  724   1HB   ARG  89           HB2      ARG  89  -1.677 -14.789  -8.641
  725   2HB   ARG  89           HB1      ARG  89  -1.325 -13.172  -9.241
  726   1HG   ARG  89           HG2      ARG  89   0.853 -13.596  -8.894
  727   2HG   ARG  89           HG1      ARG  89   0.533 -13.629  -7.163
  728   1HD   ARG  89           HD2      ARG  89   1.603 -15.732  -7.857
  729   2HD   ARG  89           HD1      ARG  89  -0.053 -16.048  -7.348
  730    HE   ARG  89           HE       ARG  89  -0.234 -15.598 -10.094
  731   1HH1  ARG  89          HH21      ARG  89   2.603 -16.900  -9.663
  732   2HH1  ARG  89          HH22      ARG  89   2.221 -18.538 -10.077
  733   1HH2  ARG  89          HH11      ARG  89  -1.211 -18.055  -9.917
  734   2HH2  ARG  89          HH12      ARG  89   0.060 -19.193 -10.221
  735    H    TRP  90           HN       TRP  90  -2.345 -12.498  -4.712
  736    HA   TRP  90           HA       TRP  90  -0.134 -13.997  -3.569
  737   1HB   TRP  90           HB2      TRP  90  -0.878 -13.248  -1.428
  738   2HB   TRP  90           HB1      TRP  90  -1.189 -11.916  -2.529
  739    HD1  TRP  90           HD1      TRP  90  -3.203 -15.039  -1.396
  740    HE1  TRP  90           HE1      TRP  90  -5.628 -14.334  -0.893
  741    HE3  TRP  90           HE3      TRP  90  -2.860 -10.039  -2.398
  742    HZ2  TRP  90           HZ2      TRP  90  -7.192 -11.957  -0.903
  743    HZ3  TRP  90           HZ3      TRP  90  -4.851  -8.585  -2.110
  744    HH2  TRP  90           HH2      TRP  90  -7.005  -9.533  -1.378
  745    H    GLU  91           HN       GLU  91  -0.435 -15.789  -1.983
  746    HA   GLU  91           HA       GLU  91  -2.468 -17.700  -2.999
  747   1HB   GLU  91           HB2      GLU  91  -0.665 -19.060  -2.692
  748   2HB   GLU  91           HB1      GLU  91   0.133 -17.894  -1.647
  749   1HG   GLU  91           HG2      GLU  91  -0.894 -18.721   0.297
  750   2HG   GLU  91           HG1      GLU  91  -2.217 -19.462  -0.605
  751    H    GLY  92           HN       GLY  92  -4.082 -18.593  -1.655
  752   1HA   GLY  92           HA2      GLY  92  -5.827 -18.257  -0.081
  753   2HA   GLY  92           HA1      GLY  92  -4.500 -18.595   1.025
  754    H    GLU  93           HN       GLU  93  -3.309 -16.737   1.889
  755    HA   GLU  93           HA       GLU  93  -5.014 -14.286   1.973
  756   1HB   GLU  93           HB2      GLU  93  -3.748 -13.929   4.182
  757   2HB   GLU  93           HB1      GLU  93  -4.915 -15.251   4.131
  758   1HG   GLU  93           HG2      GLU  93  -2.218 -16.009   3.251
  759   2HG   GLU  93           HG1      GLU  93  -2.319 -15.534   4.946
  760    HA   PRO  94           HA       PRO  94  -1.675 -11.932   0.312
  761   1HB   PRO  94           HB2      PRO  94  -2.217  -9.552   1.717
  762   2HB   PRO  94           HB1      PRO  94  -2.937 -10.040   0.177
  763   1HG   PRO  94           HG2      PRO  94  -4.196  -9.909   2.792
  764   2HG   PRO  94           HG1      PRO  94  -4.955 -10.228   1.232
  765   1HD   PRO  94           HD2      PRO  94  -4.356 -12.111   3.346
  766   2HD   PRO  94           HD1      PRO  94  -5.156 -12.428   1.794
  767    H    TRP  95           HN       TRP  95  -0.311  -9.781   1.613
  768    HA   TRP  95           HA       TRP  95   0.608 -10.415   4.235
  769   1HB   TRP  95           HB2      TRP  95   2.759 -11.436   3.769
  770   2HB   TRP  95           HB1      TRP  95   1.498 -12.419   3.031
  771    HD1  TRP  95           HD1      TRP  95   1.329  -9.830   0.747
  772    HE1  TRP  95           HE1      TRP  95   2.956 -10.031  -1.259
  773    HE3  TRP  95           HE3      TRP  95   4.595 -13.263   2.650
  774    HZ2  TRP  95           HZ2      TRP  95   5.326 -11.488  -1.932
  775    HZ3  TRP  95           HZ3      TRP  95   6.520 -14.046   1.302
  776    HH2  TRP  95           HH2      TRP  95   6.893 -13.163  -0.983
  777    H    GLY  96           HN       GLY  96   0.032  -7.978   2.747
  778   1HA   GLY  96           HA2      GLY  96   2.771  -6.764   2.801
  779   2HA   GLY  96           HA1      GLY  96   1.567  -6.286   1.611
  780    H    LYS  97           HN       LYS  97  -0.294  -6.705   4.228
  781    HA   LYS  97           HA       LYS  97  -0.627  -3.898   4.680
  782   1HB   LYS  97           HB2      LYS  97  -1.708  -4.961   6.954
  783   2HB   LYS  97           HB1      LYS  97  -2.558  -4.808   5.422
  784   1HG   LYS  97           HG2      LYS  97  -2.715  -7.090   6.437
  785   2HG   LYS  97           HG1      LYS  97  -2.006  -7.089   4.823
  786   1HD   LYS  97           HD2      LYS  97  -0.464  -8.412   5.904
  787   2HD   LYS  97           HD1      LYS  97   0.253  -6.841   6.228
  788   1HE   LYS  97           HE2      LYS  97  -1.471  -6.985   8.307
  789   2HE   LYS  97           HE1      LYS  97  -1.134  -8.701   8.077
  790   1HZ   LYS  97           HZ1      LYS  97   1.314  -7.698   7.891
  791   2HZ   LYS  97           HZ3      LYS  97   0.630  -6.564   8.950
  792   3HZ   LYS  97           HZ2      LYS  97   0.631  -8.212   9.360
  793    H    GLU  98           HN       GLU  98   1.072  -2.727   5.460
  794    HA   GLU  98           HA       GLU  98   2.906  -3.718   7.473
  795   1HB   GLU  98           HB2      GLU  98   3.629  -1.957   5.969
  796   2HB   GLU  98           HB1      GLU  98   2.308  -0.915   6.490
  797   1HG   GLU  98           HG2      GLU  98   4.372  -0.250   7.626
  798   2HG   GLU  98           HG1      GLU  98   3.241  -0.927   8.797
  799    H    GLY  99           HN       GLY  99   1.604  -4.388   9.272
  800   1HA   GLY  99           HA2      GLY  99   0.448  -4.066  11.291
  801   2HA   GLY  99           HA1      GLY  99   0.968  -2.381  11.199
  802    H    GLN 100           HN       GLN 100  -0.681  -3.469   8.431
  803    HA   GLN 100           HA       GLN 100  -3.051  -1.831   9.151
  804   1HB   GLN 100           HB2      GLN 100  -1.543  -2.301   6.760
  805   2HB   GLN 100           HB1      GLN 100  -3.180  -2.894   6.492
  806   1HG   GLN 100           HG2      GLN 100  -4.018  -0.685   7.401
  807   2HG   GLN 100           HG1      GLN 100  -2.349  -0.118   7.353
  808   1HE2  GLN 100          HE22      GLN 100  -4.128  -1.014   3.747
  809   2HE2  GLN 100          HE21      GLN 100  -4.544  -1.924   5.119
  810    HA   PRO 101           HA       PRO 101  -5.560  -5.363   9.881
  811   1HB   PRO 101           HB2      PRO 101  -7.802  -4.118   8.494
  812   2HB   PRO 101           HB1      PRO 101  -7.605  -4.406  10.228
  813   1HG   PRO 101           HG2      PRO 101  -7.480  -1.897   8.932
  814   2HG   PRO 101           HG1      PRO 101  -6.990  -2.233  10.597
  815   1HD   PRO 101           HD2      PRO 101  -5.300  -1.674   8.280
  816   2HD   PRO 101           HD1      PRO 101  -4.839  -1.783   9.988
  817    H    GLY 102           HN       GLY 102  -5.076  -3.893   6.798
  818   1HA   GLY 102           HA2      GLY 102  -5.361  -4.662   4.586
  819   2HA   GLY 102           HA1      GLY 102  -4.475  -6.034   5.248
  820    H    GLU 103           HN       GLU 103  -7.473  -5.009   3.926
  821    HA   GLU 103           HA       GLU 103  -8.436  -7.801   4.365
  822   1HB   GLU 103           HB2      GLU 103 -10.811  -6.706   4.688
  823   2HB   GLU 103           HB1      GLU 103  -9.723  -6.893   6.061
  824   1HG   GLU 103           HG2      GLU 103  -8.983  -4.441   4.967
  825   2HG   GLU 103           HG1      GLU 103 -10.740  -4.450   4.823
  826    H    TRP 104           HN       TRP 104  -9.286  -8.679   2.551
  827    HA   TRP 104           HA       TRP 104  -9.106  -7.511   0.027
  828   1HB   TRP 104           HB2      TRP 104 -11.438  -9.319   0.646
  829   2HB   TRP 104           HB1      TRP 104 -10.434  -9.267  -0.803
  830    HD1  TRP 104           HD1      TRP 104  -7.588  -9.457   0.365
  831    HE1  TRP 104           HE1      TRP 104  -6.735 -11.597   1.559
  832    HE3  TRP 104           HE3      TRP 104 -12.071 -11.535   1.636
  833    HZ2  TRP 104           HZ2      TRP 104  -7.868 -13.881   2.874
  834    HZ3  TRP 104           HZ3      TRP 104 -12.160 -13.688   2.855
  835    HH2  TRP 104           HH2      TRP 104 -10.067 -14.865   3.476
  836    H    MET 105           HN       MET 105 -10.212  -5.899  -0.966
  837    HA   MET 105           HA       MET 105 -12.801  -5.080   0.287
  838   1HB   MET 105           HB2      MET 105 -10.602  -3.579   0.469
  839   2HB   MET 105           HB1      MET 105 -11.112  -3.074  -1.144
  840   1HG   MET 105           HG2      MET 105 -12.996  -3.108   1.223
  841   2HG   MET 105           HG1      MET 105 -12.041  -1.691   0.789
  842   1HE   MET 105           HE3      MET 105 -14.863  -2.296   1.258
  843   2HE   MET 105           HE2      MET 105 -15.535  -1.019   0.248
  844   3HE   MET 105           HE1      MET 105 -15.935  -2.702  -0.087
  845    H    SER 106           HN       SER 106 -14.427  -5.447  -1.119
  846    HA   SER 106           HA       SER 106 -13.902  -5.708  -3.986
  847   1HB   SER 106           HB2      SER 106 -16.677  -5.611  -3.572
  848   2HB   SER 106           HB1      SER 106 -15.693  -7.062  -3.737
  849    HG   SER 106           HG       SER 106 -16.367  -5.662  -1.362
  850    H    LEU 107           HN       LEU 107 -13.062  -3.320  -3.687
  851    HA   LEU 107           HA       LEU 107 -14.965  -1.189  -3.459
  852   1HB   LEU 107           HB2      LEU 107 -12.513  -0.954  -3.082
  853   2HB   LEU 107           HB1      LEU 107 -12.251  -1.194  -4.809
  854    HG   LEU 107           HG       LEU 107 -14.076   0.974  -3.762
  855   1HD1  LEU 107          HD12      LEU 107 -11.102   0.843  -3.927
  856   2HD1  LEU 107          HD11      LEU 107 -11.876   2.343  -4.433
  857   3HD1  LEU 107          HD13      LEU 107 -12.121   1.733  -2.798
  858   1HD2  LEU 107          HD21      LEU 107 -12.788   0.230  -6.376
  859   2HD2  LEU 107          HD23      LEU 107 -14.445   0.749  -6.061
  860   3HD2  LEU 107          HD22      LEU 107 -13.133   1.927  -6.047
  861    H    VAL 108           HN       VAL 108 -13.251  -2.512  -6.291
  862    HA   VAL 108           HA       VAL 108 -14.096  -2.831  -8.494
  863    HB   VAL 108           HB       VAL 108 -16.495  -1.215  -7.563
  864   1HG1  VAL 108          HG11      VAL 108 -15.667  -2.447 -10.143
  865   2HG1  VAL 108          HG13      VAL 108 -17.376  -2.473  -9.708
  866   3HG1  VAL 108          HG12      VAL 108 -16.521  -0.935  -9.840
  867   1HG2  VAL 108          HG22      VAL 108 -15.825  -3.790  -6.837
  868   2HG2  VAL 108          HG21      VAL 108 -17.472  -3.163  -6.905
  869   3HG2  VAL 108          HG23      VAL 108 -16.809  -4.053  -8.276
  870    H    GLY 109           HN       GLY 109 -12.666  -1.622  -9.658
  871   1HA   GLY 109           HA2      GLY 109 -11.557   0.294 -10.463
  872   2HA   GLY 109           HA1      GLY 109 -13.190   0.937 -10.662
  873    H    LEU 110           HN       LEU 110 -10.524   0.604  -8.400
  874    HA   LEU 110           HA       LEU 110 -11.258   1.728  -6.069
  875   1HB   LEU 110           HB2      LEU 110  -8.845   1.752  -7.649
  876   2HB   LEU 110           HB1      LEU 110  -9.015   3.252  -6.723
  877    HG   LEU 110           HG       LEU 110  -9.697   1.577  -4.794
  878   1HD1  LEU 110          HD12      LEU 110  -8.586  -0.124  -6.905
  879   2HD1  LEU 110          HD11      LEU 110  -7.771  -0.322  -5.354
  880   3HD1  LEU 110          HD13      LEU 110  -9.513  -0.574  -5.474
  881   1HD2  LEU 110          HD21      LEU 110  -6.872   2.089  -5.767
  882   2HD2  LEU 110          HD23      LEU 110  -7.822   3.144  -4.722
  883   3HD2  LEU 110          HD22      LEU 110  -7.286   1.569  -4.135
  884    H    ASN 111           HN       ASN 111 -11.232   3.894  -5.173
  885    HA   ASN 111           HA       ASN 111 -11.597   6.172  -6.977
  886   1HB   ASN 111           HB2      ASN 111 -13.845   4.680  -6.299
  887   2HB   ASN 111           HB1      ASN 111 -13.876   6.018  -5.145
  888   1HD2  ASN 111          HD22      ASN 111 -15.202   6.772  -8.779
  889   2HD2  ASN 111          HD21      ASN 111 -15.194   5.255  -8.016
  890    H    ALA 112           HN       ALA 112 -11.159   8.069  -5.890
  891    HA   ALA 112           HA       ALA 112  -9.844   7.952  -3.349
  892   1HB   ALA 112           HB1      ALA 112 -10.856  10.255  -5.030
  893   2HB   ALA 112           HB3      ALA 112 -10.034  10.501  -3.489
  894   3HB   ALA 112           HB2      ALA 112  -9.189   9.719  -4.825
  895    H    ASP 113           HN       ASP 113 -13.103   8.330  -4.371
  896    HA   ASP 113           HA       ASP 113 -14.333   9.692  -2.252
  897   1HB   ASP 113           HB2      ASP 113 -15.086   7.839  -4.335
  898   2HB   ASP 113           HB1      ASP 113 -15.929   7.423  -2.849
  899    H    ASP 114           HN       ASP 114 -12.806   6.599  -2.385
  900    HA   ASP 114           HA       ASP 114 -13.716   5.951   0.375
  901   1HB   ASP 114           HB2      ASP 114 -12.569   4.240  -1.860
  902   2HB   ASP 114           HB1      ASP 114 -12.826   3.652  -0.206
  903    H    PHE 115           HN       PHE 115 -10.999   6.921  -1.526
  904    HA   PHE 115           HA       PHE 115  -9.088   6.109   0.602
  905   1HB   PHE 115           HB2      PHE 115  -8.775   7.024  -2.245
  906   2HB   PHE 115           HB1      PHE 115  -7.411   7.053  -1.136
  907    HD1  PHE 115           HD2      PHE 115  -9.963   4.852  -2.705
  908    HD2  PHE 115           HD1      PHE 115  -6.295   5.063  -0.490
  909    HE1  PHE 115           HE2      PHE 115  -9.602   2.427  -3.077
  910    HE2  PHE 115           HE1      PHE 115  -5.927   2.642  -0.863
  911    HZ   PHE 115           HZ       PHE 115  -7.581   1.322  -2.156
  912    HA   PRO 116           HA       PRO 116  -8.791  10.135   2.306
  913   1HB   PRO 116           HB2      PRO 116  -6.004   9.890   2.891
  914   2HB   PRO 116           HB1      PRO 116  -7.355   9.587   3.985
  915   1HG   PRO 116           HG2      PRO 116  -5.581   7.649   2.778
  916   2HG   PRO 116           HG1      PRO 116  -6.908   7.353   3.909
  917   1HD   PRO 116           HD2      PRO 116  -6.835   6.797   1.079
  918   2HD   PRO 116           HD1      PRO 116  -8.155   6.480   2.220
  919    HA   PRO 117           HA       PRO 117  -7.181  12.605  -0.994
  920   1HB   PRO 117           HB2      PRO 117  -6.823  14.897   0.687
  921   2HB   PRO 117           HB1      PRO 117  -8.176  14.558  -0.400
  922   1HG   PRO 117           HG2      PRO 117  -8.170  14.487   2.488
  923   2HG   PRO 117           HG1      PRO 117  -9.526  14.176   1.397
  924   1HD   PRO 117           HD2      PRO 117  -8.030  12.262   2.957
  925   2HD   PRO 117           HD1      PRO 117  -9.403  11.952   1.875
  926    H    ALA 118           HN       ALA 118  -5.546  12.368   2.114
  927    HA   ALA 118           HA       ALA 118  -3.157  13.701   1.752
  928   1HB   ALA 118           HB3      ALA 118  -3.453  10.871   2.805
  929   2HB   ALA 118           HB2      ALA 118  -2.072  11.931   3.091
  930   3HB   ALA 118           HB1      ALA 118  -3.654  12.346   3.751
  931    H    ASN 119           HN       ASN 119  -4.043  10.570   0.300
  932    HA   ASN 119           HA       ASN 119  -1.545  10.732  -1.343
  933   1HB   ASN 119           HB2      ASN 119  -3.287   8.437  -0.459
  934   2HB   ASN 119           HB1      ASN 119  -2.220   8.269  -1.854
  935   1HD2  ASN 119          HD22      ASN 119   0.703   9.027   0.361
  936   2HD2  ASN 119          HD21      ASN 119   0.022   9.759  -1.009
  937    H    GLU 120           HN       GLU 120  -3.320  12.461  -2.244
  938    HA   GLU 120           HA       GLU 120  -5.334  11.420  -4.023
  939   1HB   GLU 120           HB2      GLU 120  -4.160  14.043  -3.350
  940   2HB   GLU 120           HB1      GLU 120  -4.846  13.915  -4.970
  941   1HG   GLU 120           HG2      GLU 120  -6.611  12.648  -3.072
  942   2HG   GLU 120           HG1      GLU 120  -6.252  14.293  -2.542
  943    HA   PRO 121           HA       PRO 121  -1.909  12.559  -7.333
  944   1HB   PRO 121           HB2      PRO 121   0.515  11.451  -6.211
  945   2HB   PRO 121           HB1      PRO 121   0.220  13.090  -6.796
  946   1HG   PRO 121           HG2      PRO 121   0.512  12.285  -4.082
  947   2HG   PRO 121           HG1      PRO 121   0.000  13.876  -4.663
  948   1HD   PRO 121           HD2      PRO 121  -1.599  11.806  -3.396
  949   2HD   PRO 121           HD1      PRO 121  -2.073  13.467  -3.806
  950    H    VAL 122           HN       VAL 122  -1.765   9.631  -5.324
  951    HA   VAL 122           HA       VAL 122  -1.241   8.075  -7.804
  952    HB   VAL 122           HB       VAL 122  -0.846   7.618  -4.914
  953   1HG1  VAL 122          HG11      VAL 122  -1.731   5.467  -6.819
  954   2HG1  VAL 122          HG13      VAL 122  -0.635   5.086  -5.491
  955   3HG1  VAL 122          HG12      VAL 122  -2.239   5.737  -5.153
  956   1HG2  VAL 122          HG22      VAL 122   0.976   8.144  -6.550
  957   2HG2  VAL 122          HG21      VAL 122   1.228   6.616  -5.708
  958   3HG2  VAL 122          HG23      VAL 122   0.627   6.620  -7.365
  959    H    ILE 123           HN       ILE 123  -3.656   8.437  -5.198
  960    HA   ILE 123           HA       ILE 123  -5.359   6.324  -6.075
  961    HB   ILE 123           HB       ILE 123  -5.862   8.914  -4.599
  962   1HG1  ILE 123          HG12      ILE 123  -4.985   7.161  -3.229
  963   2HG1  ILE 123          HG11      ILE 123  -6.715   7.213  -2.895
  964   1HG2  ILE 123          HG23      ILE 123  -7.939   6.955  -5.618
  965   2HG2  ILE 123          HG22      ILE 123  -8.248   8.114  -4.326
  966   3HG2  ILE 123          HG21      ILE 123  -7.850   8.685  -5.947
  967   1HD1  ILE 123          HD13      ILE 123  -6.699   5.469  -4.967
  968   2HD1  ILE 123          HD12      ILE 123  -5.118   5.123  -4.269
  969   3HD1  ILE 123          HD11      ILE 123  -6.569   4.963  -3.285
  970    H    ALA 124           HN       ALA 124  -4.931   9.649  -7.108
  971    HA   ALA 124           HA       ALA 124  -7.021  10.168  -8.815
  972   1HB   ALA 124           HB3      ALA 124  -4.143  10.778  -8.838
  973   2HB   ALA 124           HB2      ALA 124  -4.912  10.857 -10.422
  974   3HB   ALA 124           HB1      ALA 124  -5.518  11.851  -9.098
  975    H    LYS 125           HN       LYS 125  -4.391   7.944  -9.314
  976    HA   LYS 125           HA       LYS 125  -5.284   7.210 -11.989
  977   1HB   LYS 125           HB2      LYS 125  -3.098   6.316 -10.134
  978   2HB   LYS 125           HB1      LYS 125  -3.443   5.438 -11.632
  979   1HG   LYS 125           HG2      LYS 125  -2.922   8.415 -11.434
  980   2HG   LYS 125           HG1      LYS 125  -1.755   7.216 -12.009
  981   1HD   LYS 125           HD2      LYS 125  -4.150   6.758 -13.451
  982   2HD   LYS 125           HD1      LYS 125  -3.882   8.501 -13.469
  983   1HE   LYS 125           HE2      LYS 125  -1.590   6.650 -14.030
  984   2HE   LYS 125           HE1      LYS 125  -2.752   7.002 -15.306
  985   1HZ   LYS 125           HZ2      LYS 125  -2.341   9.441 -14.503
  986   2HZ   LYS 125           HZ1      LYS 125  -0.864   8.796 -13.968
  987   3HZ   LYS 125           HZ3      LYS 125  -1.285   8.699 -15.608
  988    H    LEU 126           HN       LEU 126  -5.294   5.498  -8.802
  989    HA   LEU 126           HA       LEU 126  -6.571   3.153  -9.880
  990   1HB   LEU 126           HB2      LEU 126  -6.760   4.231  -7.052
  991   2HB   LEU 126           HB1      LEU 126  -7.181   2.599  -7.574
  992    HG   LEU 126           HG       LEU 126  -5.048   2.083  -6.985
  993   1HD1  LEU 126          HD13      LEU 126  -5.006   2.189  -9.538
  994   2HD1  LEU 126          HD12      LEU 126  -4.162   3.728  -9.362
  995   3HD1  LEU 126          HD11      LEU 126  -3.438   2.246  -8.733
  996   1HD2  LEU 126          HD23      LEU 126  -4.967   4.497  -6.017
  997   2HD2  LEU 126          HD22      LEU 126  -3.446   3.653  -6.302
  998   3HD2  LEU 126          HD21      LEU 126  -4.008   4.867  -7.450
  999    H    LYS 127           HN       LYS 127  -7.695   6.288  -9.467
 1000    HA   LYS 127           HA       LYS 127 -10.454   5.777  -8.815
 1001   1HB   LYS 127           HB2      LYS 127  -9.330   8.038 -10.503
 1002   2HB   LYS 127           HB1      LYS 127 -10.816   8.063  -9.535
 1003   1HG   LYS 127           HG2      LYS 127  -8.704   7.305  -7.796
 1004   2HG   LYS 127           HG1      LYS 127  -8.137   8.700  -8.713
 1005   1HD   LYS 127           HD2      LYS 127 -10.920   8.852  -7.681
 1006   2HD   LYS 127           HD1      LYS 127  -9.635   8.932  -6.478
 1007   1HE   LYS 127           HE2      LYS 127 -10.003  11.186  -7.103
 1008   2HE   LYS 127           HE1      LYS 127  -8.562  10.712  -7.995
 1009   1HZ   LYS 127           HZ2      LYS 127 -10.983  10.113  -9.399
 1010   2HZ   LYS 127           HZ1      LYS 127 -10.822  11.771  -9.067
 1011   3HZ   LYS 127           HZ3      LYS 127  -9.606  10.958  -9.927
 1012    H    ARG 128           HN       ARG 128  -8.499   6.010 -11.683
 1013    HA   ARG 128           HA       ARG 128 -10.699   5.604 -13.558
 1014   1HB   ARG 128           HB2      ARG 128  -7.897   5.070 -14.382
 1015   2HB   ARG 128           HB1      ARG 128  -9.129   6.043 -15.180
 1016   1HG   ARG 128           HG2      ARG 128  -8.778   7.669 -13.154
 1017   2HG   ARG 128           HG1      ARG 128  -7.241   6.817 -12.965
 1018   1HD   ARG 128           HD2      ARG 128  -6.375   8.100 -14.594
 1019   2HD   ARG 128           HD1      ARG 128  -7.514   7.375 -15.730
 1020    HE   ARG 128           HE       ARG 128  -9.011   9.330 -14.472
 1021   1HH1  ARG 128          HH11      ARG 128  -5.891  10.178 -14.564
 1022   2HH1  ARG 128          HH12      ARG 128  -6.008  11.372 -15.814
 1023   1HH2  ARG 128          HH21      ARG 128  -9.214  10.452 -16.760
 1024   2HH2  ARG 128          HH22      ARG 128  -7.890  11.527 -17.056
 1025    H    LEU 129           HN       LEU 129  -8.812   3.664 -11.510
 1026    HA   LEU 129           HA       LEU 129  -8.351   1.304 -12.930
 1027   1HB   LEU 129           HB2      LEU 129  -8.182   2.082 -10.304
 1028   2HB   LEU 129           HB1      LEU 129  -9.437   0.842 -10.245
 1029    HG   LEU 129           HG       LEU 129  -7.919  -0.657 -11.556
 1030   1HD1  LEU 129          HD12      LEU 129  -6.119   1.738 -11.184
 1031   2HD1  LEU 129          HD11      LEU 129  -5.440   0.125 -11.401
 1032   3HD1  LEU 129          HD13      LEU 129  -6.451   0.835 -12.662
 1033   1HD2  LEU 129          HD23      LEU 129  -7.484   0.322  -8.803
 1034   2HD2  LEU 129          HD22      LEU 129  -7.678  -1.330  -9.389
 1035   3HD2  LEU 129          HD21      LEU 129  -6.107  -0.536  -9.493
 1036   3HOG  APC 130           H5T      ATP 130   6.734   2.759  10.749
 1037   1H3A  APC 130           H3P      ATP 130   7.704   2.671   7.404
 1038   2H3A  APC 130          H3P'      ATP 130   7.104   2.861   9.062
 1039   1H5*  APC 130           H5'      ATP 130   8.148   4.375   7.007
 1040   2H5*  APC 130          H5''      ATP 130   9.714   5.178   6.773
 1041    H4*  APC 130           H4'      ATP 130   8.951   6.830   8.564
 1042    H3*  APC 130           H3'      ATP 130   6.534   5.163   8.234
 1043   *HO3  APC 130          H3''      ATP 130   7.122   7.190  10.202
 1044    H2*  APC 130          H2''      ATP 130   5.181   6.734   7.433
 1045   *HO2  APC 130           H2'      ATP 130   4.757   8.466   8.586
 1046    H1*  APC 130           H1'      ATP 130   7.092   8.914   7.108
 1047    H8   APC 130           H8       ATP 130   6.146   5.827   5.016
 1048    H2   APC 130           H2       ATP 130   4.941  12.111   4.795
 1049   1HN6  APC 130           H61      ATP 130   3.557   8.140   1.614
 1050   2HN6  APC 130           H62      ATP 130   3.111   9.818   1.395
 1051   1HN1  CON 131          H1N1      ATP 130  12.254  -0.967  10.066
 1052   2HN1  CON 131          H2N1      ATP 130  11.328  -1.334   8.861
 1053   3HN1  CON 131          H3N1      ATP 130  11.505  -2.339  10.047
 1054   1HN2  CON 131          H1N2      ATP 130  11.217  -0.704  12.977
 1055   2HN2  CON 131          H2N2      ATP 130   9.819  -1.322  13.274
 1056   3HN2  CON 131          H3N2      ATP 130  10.899  -2.161  12.509
 1057   1HN3  CON 131          H1N3      ATP 130  11.259   1.556  10.279
 1058   2HN3  CON 131          H2N3      ATP 130  11.726   0.996  11.663
 1059   3HN3  CON 131          H3N3      ATP 130  10.432   1.867  11.566
 1060   1HN4  CON 131          H1N4      ATP 130   7.748  -2.080  10.568
 1061   2HN4  CON 131          H2N4      ATP 130   8.894  -2.691   9.695
 1062   3HN4  CON 131          H3N4      ATP 130   8.888  -2.908  11.243
 1063   1HO1  MO2 132          H1O1      MG  131   9.985  -2.284   6.611
 1064   2HO1  MO2 132          H2O1      MG  131   9.938  -3.113   7.865
 1065   1HO2  MO2 132          H1O2      MG  131   7.765  -4.319   9.293
 1066   2HO2  MO2 132          H2O2      MG  131   7.109  -5.493   8.607
   
  No H/Q in entry =        1066
  Start of MODEL    3
    1   1H    MET   1           HT1      MET   1  13.946  15.249   9.599
    2   2H    MET   1           HT3      MET   1  13.277  16.755   9.195
    3   3H    MET   1           HT2      MET   1  12.932  15.390   8.244
    4    HA   MET   1           HA       MET   1  14.533  16.760   7.111
    5   1HB   MET   1           HB2      MET   1  16.867  16.743   8.370
    6   2HB   MET   1           HB1      MET   1  15.672  17.993   8.715
    7   1HG   MET   1           HG2      MET   1  14.822  16.602  10.606
    8   2HG   MET   1           HG1      MET   1  16.116  15.446  10.298
    9   1HE   MET   1           HE3      MET   1  16.601  15.525  12.544
   10   2HE   MET   1           HE2      MET   1  18.278  15.650  12.016
   11   3HE   MET   1           HE1      MET   1  17.703  16.657  13.343
   12    H    LYS   2           HN       LYS   2  13.960  14.568   6.190
   13    HA   LYS   2           HA       LYS   2  16.316  13.074   5.595
   14   1HB   LYS   2           HB2      LYS   2  15.360  10.898   6.732
   15   2HB   LYS   2           HB1      LYS   2  16.321  12.023   7.687
   16   1HG   LYS   2           HG2      LYS   2  14.313  11.435   8.938
   17   2HG   LYS   2           HG1      LYS   2  14.214  13.126   8.447
   18   1HD   LYS   2           HD2      LYS   2  12.072  11.952   8.051
   19   2HD   LYS   2           HD1      LYS   2  12.785  12.497   6.538
   20   1HE   LYS   2           HE2      LYS   2  12.729  10.381   5.782
   21   2HE   LYS   2           HE1      LYS   2  13.846   9.916   7.066
   22   1HZ   LYS   2           HZ1      LYS   2  11.796   9.838   8.535
   23   2HZ   LYS   2           HZ3      LYS   2  10.893   9.872   7.098
   24   3HZ   LYS   2           HZ2      LYS   2  11.973   8.594   7.393
   25    H    LYS   3           HN       LYS   3  15.196  10.594   4.938
   26    HA   LYS   3           HA       LYS   3  12.726  11.233   3.427
   27   1HB   LYS   3           HB2      LYS   3  14.506  11.754   1.856
   28   2HB   LYS   3           HB1      LYS   3  15.287  10.203   2.177
   29   1HG   LYS   3           HG2      LYS   3  13.191   9.063   1.385
   30   2HG   LYS   3           HG1      LYS   3  12.577  10.646   0.904
   31   1HD   LYS   3           HD2      LYS   3  13.576   9.661  -1.053
   32   2HD   LYS   3           HD1      LYS   3  14.683  10.914  -0.493
   33   1HE   LYS   3           HE2      LYS   3  15.456   8.634   0.924
   34   2HE   LYS   3           HE1      LYS   3  15.111   8.041  -0.700
   35   1HZ   LYS   3           HZ2      LYS   3  16.545   9.771  -1.595
   36   2HZ   LYS   3           HZ1      LYS   3  16.891  10.321  -0.025
   37   3HZ   LYS   3           HZ3      LYS   3  17.397   8.777  -0.511
   38    H    LEU   4           HN       LEU   4  11.565   9.337   2.767
   39    HA   LEU   4           HA       LEU   4  12.610   6.701   3.495
   40   1HB   LEU   4           HB2      LEU   4  11.294   6.220   5.324
   41   2HB   LEU   4           HB1      LEU   4  11.412   7.951   5.566
   42    HG   LEU   4           HG       LEU   4   9.143   7.460   5.818
   43   1HD1  LEU   4          HD12      LEU   4   9.964   8.944   3.553
   44   2HD1  LEU   4          HD11      LEU   4   8.480   8.090   3.138
   45   3HD1  LEU   4          HD13      LEU   4   8.523   9.156   4.542
   46   1HD2  LEU   4          HD21      LEU   4   9.620   5.165   4.500
   47   2HD2  LEU   4          HD23      LEU   4   7.991   5.777   4.781
   48   3HD2  LEU   4          HD22      LEU   4   8.779   6.054   3.229
   49    H    GLN   5           HN       GLN   5  11.213   4.982   2.650
   50    HA   GLN   5           HA       GLN   5   9.205   6.029   0.703
   51   1HB   GLN   5           HB2      GLN   5  11.193   3.783   0.277
   52   2HB   GLN   5           HB1      GLN   5   9.866   4.154  -0.817
   53   1HG   GLN   5           HG2      GLN   5  11.486   5.448  -1.814
   54   2HG   GLN   5           HG1      GLN   5  10.912   6.618  -0.617
   55   1HE2  GLN   5          HE22      GLN   5  14.177   6.852   0.683
   56   2HE2  GLN   5          HE21      GLN   5  12.768   7.653   0.174
   57    H    ILE   6           HN       ILE   6   7.779   4.089  -0.025
   58    HA   ILE   6           HA       ILE   6   7.312   2.287   2.291
   59    HB   ILE   6           HB       ILE   6   5.504   4.348   1.104
   60   1HG1  ILE   6          HG12      ILE   6   6.734   4.331   3.407
   61   2HG1  ILE   6          HG11      ILE   6   5.051   4.833   3.342
   62   1HG2  ILE   6          HG21      ILE   6   4.340   2.212   0.636
   63   2HG2  ILE   6          HG23      ILE   6   4.505   1.761   2.332
   64   3HG2  ILE   6          HG22      ILE   6   3.508   3.146   1.879
   65   1HD1  ILE   6          HD12      ILE   6   5.353   1.938   3.691
   66   2HD1  ILE   6          HD11      ILE   6   6.058   2.870   5.011
   67   3HD1  ILE   6          HD13      ILE   6   4.357   3.078   4.596
   68    H    ALA   7           HN       ALA   7   7.621   0.336   1.403
   69    HA   ALA   7           HA       ALA   7   6.991  -0.178  -1.421
   70   1HB   ALA   7           HB3      ALA   7   8.752  -1.277   0.502
   71   2HB   ALA   7           HB2      ALA   7   7.605  -2.555   0.101
   72   3HB   ALA   7           HB1      ALA   7   8.552  -1.787  -1.174
   73    H    VAL   8           HN       VAL   8   4.651   0.481  -0.585
   74    HA   VAL   8           HA       VAL   8   3.207  -1.643   0.780
   75    HB   VAL   8           HB       VAL   8   2.249   0.468   1.169
   76   1HG1  VAL   8          HG12      VAL   8   3.244   1.070  -1.456
   77   2HG1  VAL   8          HG11      VAL   8   1.543   1.510  -1.373
   78   3HG1  VAL   8          HG13      VAL   8   2.683   2.183  -0.212
   79   1HG2  VAL   8          HG23      VAL   8   0.728  -1.470  -0.013
   80   2HG2  VAL   8          HG22      VAL   8   0.071   0.025   0.652
   81   3HG2  VAL   8          HG21      VAL   8   0.405  -0.098  -1.075
   82    H    GLY   9           HN       GLY   9   2.535  -0.262  -2.479
   83   1HA   GLY   9           HA2      GLY   9   1.779  -1.397  -4.387
   84   2HA   GLY   9           HA1      GLY   9   2.740  -2.772  -3.811
   85    H    ILE  10           HN       ILE  10  -0.306  -1.107  -3.474
   86    HA   ILE  10           HA       ILE  10  -1.626  -2.755  -1.658
   87    HB   ILE  10           HB       ILE  10  -3.340  -2.122  -3.965
   88   1HG1  ILE  10          HG12      ILE  10  -1.831   0.106  -2.552
   89   2HG1  ILE  10          HG11      ILE  10  -1.700  -0.306  -4.265
   90   1HG2  ILE  10          HG21      ILE  10  -3.775  -2.604  -1.379
   91   2HG2  ILE  10          HG23      ILE  10  -3.547  -0.858  -1.254
   92   3HG2  ILE  10          HG22      ILE  10  -4.820  -1.510  -2.285
   93   1HD1  ILE  10          HD13      ILE  10  -4.471   0.022  -3.650
   94   2HD1  ILE  10          HD12      ILE  10  -3.605   1.415  -3.002
   95   3HD1  ILE  10          HD11      ILE  10  -3.468   1.009  -4.713
   96    H    ILE  11           HN       ILE  11  -3.367  -4.426  -2.327
   97    HA   ILE  11           HA       ILE  11  -2.340  -6.112  -4.557
   98    HB   ILE  11           HB       ILE  11  -2.681  -8.084  -2.938
   99   1HG1  ILE  11          HG12      ILE  11  -2.612  -5.756  -0.984
  100   2HG1  ILE  11          HG11      ILE  11  -3.999  -6.813  -1.286
  101   1HG2  ILE  11          HG21      ILE  11  -0.517  -5.994  -2.479
  102   2HG2  ILE  11          HG23      ILE  11  -0.465  -7.603  -1.762
  103   3HG2  ILE  11          HG22      ILE  11  -0.420  -7.416  -3.511
  104   1HD1  ILE  11          HD13      ILE  11  -1.737  -8.468  -0.737
  105   2HD1  ILE  11          HD12      ILE  11  -1.831  -7.242   0.525
  106   3HD1  ILE  11          HD11      ILE  11  -3.208  -8.297   0.213
  107    H    ARG  12           HN       ARG  12  -4.161  -5.830  -5.832
  108    HA   ARG  12           HA       ARG  12  -6.862  -5.890  -4.730
  109   1HB   ARG  12           HB2      ARG  12  -6.287  -6.310  -7.649
  110   2HB   ARG  12           HB1      ARG  12  -7.576  -5.375  -6.887
  111   1HG   ARG  12           HG2      ARG  12  -5.614  -3.936  -5.955
  112   2HG   ARG  12           HG1      ARG  12  -4.697  -4.632  -7.287
  113   1HD   ARG  12           HD2      ARG  12  -7.316  -3.102  -7.558
  114   2HD   ARG  12           HD1      ARG  12  -5.712  -2.493  -7.970
  115    HE   ARG  12           HE       ARG  12  -5.960  -4.854  -9.434
  116   1HH1  ARG  12          HH11      ARG  12  -8.672  -3.005  -8.967
  117   2HH1  ARG  12          HH12      ARG  12  -8.877  -2.537 -10.621
  118   1HH2  ARG  12          HH21      ARG  12  -5.810  -3.800 -11.633
  119   2HH2  ARG  12          HH22      ARG  12  -7.256  -2.986 -12.131
  120    H    ASN  13           HN       ASN  13  -8.402  -7.613  -6.166
  121    HA   ASN  13           HA       ASN  13  -6.984 -10.176  -6.313
  122   1HB   ASN  13           HB2      ASN  13  -7.311 -10.790  -4.208
  123   2HB   ASN  13           HB1      ASN  13  -8.107  -9.249  -3.888
  124   1HD2  ASN  13          HD22      ASN  13 -11.057 -11.050  -3.151
  125   2HD2  ASN  13          HD21      ASN  13  -9.926  -9.883  -2.663
  126    H    GLU  14           HN       GLU  14 -10.491  -9.204  -5.958
  127    HA   GLU  14           HA       GLU  14 -11.069 -11.356  -7.920
  128   1HB   GLU  14           HB2      GLU  14 -12.456 -11.098  -5.894
  129   2HB   GLU  14           HB1      GLU  14 -12.938  -9.496  -6.423
  130   1HG   GLU  14           HG2      GLU  14 -13.429 -11.139  -8.634
  131   2HG   GLU  14           HG1      GLU  14 -13.976 -12.075  -7.244
  132    H    ASN  15           HN       ASN  15 -11.115  -7.935  -7.732
  133    HA   ASN  15           HA       ASN  15 -11.237  -7.624 -10.627
  134   1HB   ASN  15           HB2      ASN  15 -13.712  -7.736  -9.489
  135   2HB   ASN  15           HB1      ASN  15 -13.342  -6.030  -9.233
  136   1HD2  ASN  15          HD22      ASN  15 -14.549  -7.148 -12.849
  137   2HD2  ASN  15          HD21      ASN  15 -14.793  -8.052 -11.432
  138    H    ASN  16           HN       ASN  16 -11.601  -6.286  -7.448
  139    HA   ASN  16           HA       ASN  16  -9.285  -4.585  -7.739
  140   1HB   ASN  16           HB2      ASN  16 -11.052  -3.131  -8.712
  141   2HB   ASN  16           HB1      ASN  16 -12.029  -3.361  -7.260
  142   1HD2  ASN  16          HD22      ASN  16 -10.230  -0.986  -5.365
  143   2HD2  ASN  16          HD21      ASN  16 -11.495  -2.114  -5.399
  144    H    GLU  17           HN       GLU  17 -10.132  -6.938  -6.171
  145    HA   GLU  17           HA       GLU  17 -10.952  -5.850  -3.574
  146   1HB   GLU  17           HB2      GLU  17  -9.924  -8.597  -4.299
  147   2HB   GLU  17           HB1      GLU  17 -10.538  -8.127  -2.714
  148   1HG   GLU  17           HG2      GLU  17 -12.477  -7.299  -4.605
  149   2HG   GLU  17           HG1      GLU  17 -12.028  -8.951  -5.015
  150    H    ILE  18           HN       ILE  18  -9.302  -4.277  -3.279
  151    HA   ILE  18           HA       ILE  18  -6.531  -5.155  -3.095
  152    HB   ILE  18           HB       ILE  18  -6.221  -2.808  -2.137
  153   1HG1  ILE  18          HG12      ILE  18  -8.976  -2.276  -3.203
  154   2HG1  ILE  18          HG11      ILE  18  -8.789  -2.826  -1.537
  155   1HG2  ILE  18          HG22      ILE  18  -7.215  -3.546  -4.856
  156   2HG2  ILE  18          HG21      ILE  18  -7.048  -1.829  -4.480
  157   3HG2  ILE  18          HG23      ILE  18  -5.649  -2.896  -4.371
  158   1HD1  ILE  18          HD12      ILE  18  -7.060  -0.975  -1.265
  159   2HD1  ILE  18          HD11      ILE  18  -7.613  -0.348  -2.808
  160   3HD1  ILE  18          HD13      ILE  18  -8.727  -0.436  -1.446
  161    H    PHE  19           HN       PHE  19  -5.382  -5.534  -1.246
  162    HA   PHE  19           HA       PHE  19  -6.894  -6.312   1.140
  163   1HB   PHE  19           HB2      PHE  19  -4.884  -7.521   0.191
  164   2HB   PHE  19           HB1      PHE  19  -3.898  -6.170   0.739
  165    HD1  PHE  19           HD2      PHE  19  -6.839  -7.716   2.448
  166    HD2  PHE  19           HD1      PHE  19  -2.589  -7.112   2.433
  167    HE1  PHE  19           HE2      PHE  19  -6.675  -8.749   4.701
  168    HE2  PHE  19           HE1      PHE  19  -2.431  -8.158   4.665
  169    HZ   PHE  19           HZ       PHE  19  -4.476  -8.961   5.812
  170    H    ILE  20           HN       ILE  20  -7.146  -3.534   0.656
  171    HA   ILE  20           HA       ILE  20  -5.262  -2.055   2.289
  172    HB   ILE  20           HB       ILE  20  -6.363  -1.017   0.353
  173   1HG1  ILE  20          HG12      ILE  20  -7.089   1.054   1.479
  174   2HG1  ILE  20          HG11      ILE  20  -7.210   0.174   3.002
  175   1HG2  ILE  20          HG23      ILE  20  -8.500  -2.236   0.506
  176   2HG2  ILE  20          HG22      ILE  20  -8.885  -1.355   1.985
  177   3HG2  ILE  20          HG21      ILE  20  -8.764  -0.494   0.451
  178   1HD1  ILE  20          HD11      ILE  20  -4.761  -0.400   2.771
  179   2HD1  ILE  20          HD13      ILE  20  -4.704   0.675   1.381
  180   3HD1  ILE  20          HD12      ILE  20  -5.078   1.317   2.979
  181    H    THR  21           HN       THR  21  -5.826  -0.885   4.159
  182    HA   THR  21           HA       THR  21  -7.403  -2.307   6.108
  183    HB   THR  21           HB       THR  21  -5.517  -0.828   6.706
  184    HG1  THR  21           HG1      THR  21  -8.073  -0.528   7.691
  185   1HG2  THR  21          HG23      THR  21  -6.684   0.883   4.856
  186   2HG2  THR  21          HG22      THR  21  -6.973   1.678   6.404
  187   3HG2  THR  21          HG21      THR  21  -5.327   1.271   5.915
  188    H    ARG  22           HN       ARG  22  -9.525  -2.505   5.351
  189    HA   ARG  22           HA       ARG  22 -10.967  -0.071   4.485
  190   1HB   ARG  22           HB2      ARG  22 -11.183  -2.002   3.041
  191   2HB   ARG  22           HB1      ARG  22 -11.668  -3.016   4.404
  192   1HG   ARG  22           HG2      ARG  22 -13.698  -2.431   3.306
  193   2HG   ARG  22           HG1      ARG  22 -13.619  -1.392   4.731
  194   1HD   ARG  22           HD2      ARG  22 -12.805   0.461   3.416
  195   2HD   ARG  22           HD1      ARG  22 -12.648  -0.563   1.987
  196    HE   ARG  22           HE       ARG  22 -15.324  -0.789   2.654
  197   1HH1  ARG  22          HH11      ARG  22 -13.151   1.859   2.242
  198   2HH1  ARG  22          HH12      ARG  22 -14.343   2.890   1.532
  199   1HH2  ARG  22          HH21      ARG  22 -16.869   0.532   1.660
  200   2HH2  ARG  22          HH22      ARG  22 -16.440   2.149   1.213
  201    H    ARG  23           HN       ARG  23 -11.191   0.909   6.572
  202    HA   ARG  23           HA       ARG  23 -12.052   1.148   8.765
  203   1HB   ARG  23           HB2      ARG  23 -14.682   0.301   8.422
  204   2HB   ARG  23           HB1      ARG  23 -14.068   1.921   8.103
  205   1HG   ARG  23           HG2      ARG  23 -13.490   1.150   5.768
  206   2HG   ARG  23           HG1      ARG  23 -14.338  -0.354   6.122
  207   1HD   ARG  23           HD2      ARG  23 -16.250   1.375   6.886
  208   2HD   ARG  23           HD1      ARG  23 -15.440   2.379   5.682
  209    HE   ARG  23           HE       ARG  23 -15.766  -0.044   4.394
  210   1HH1  ARG  23          HH21      ARG  23 -17.394   2.773   4.514
  211   2HH1  ARG  23          HH22      ARG  23 -18.981   2.123   4.276
  212   1HH2  ARG  23          HH11      ARG  23 -17.998  -1.162   4.767
  213   2HH2  ARG  23          HH12      ARG  23 -19.323  -0.102   4.419
  214    H    ALA  24           HN       ALA  24 -10.852  -0.589   9.806
  215    HA   ALA  24           HA       ALA  24 -11.393  -3.297   9.898
  216   1HB   ALA  24           HB2      ALA  24 -10.352  -1.333  11.843
  217   2HB   ALA  24           HB1      ALA  24 -11.019  -2.794  12.571
  218   3HB   ALA  24           HB3      ALA  24  -9.714  -2.914  11.392
  219    H    ALA  25           HN       ALA  25 -13.047  -0.829  11.898
  220    HA   ALA  25           HA       ALA  25 -15.023  -2.760  12.835
  221   1HB   ALA  25           HB1      ALA  25 -14.176  -0.444  13.886
  222   2HB   ALA  25           HB3      ALA  25 -15.536   0.185  12.957
  223   3HB   ALA  25           HB2      ALA  25 -15.804  -1.051  14.187
  224    H    ASP  26           HN       ASP  26 -17.402  -1.191  12.519
  225    HA   ASP  26           HA       ASP  26 -18.048  -1.941   9.777
  226   1HB   ASP  26           HB2      ASP  26 -20.265  -0.666  10.436
  227   2HB   ASP  26           HB1      ASP  26 -19.907  -2.237  11.150
  228    H    ALA  27           HN       ALA  27 -17.687   1.133  11.539
  229    HA   ALA  27           HA       ALA  27 -17.434   3.325  10.739
  230   1HB   ALA  27           HB1      ALA  27 -15.694   1.616   9.282
  231   2HB   ALA  27           HB3      ALA  27 -16.374   2.763   8.128
  232   3HB   ALA  27           HB2      ALA  27 -15.521   3.350   9.556
  233    H    HIS  28           HN       HIS  28 -19.307   4.360  10.214
  234    HA   HIS  28           HA       HIS  28 -21.006   3.406   8.031
  235   1HB   HIS  28           HB2      HIS  28 -21.149   5.924   9.721
  236   2HB   HIS  28           HB1      HIS  28 -22.393   5.396   8.588
  237    HD1  HIS  28           HD1      HIS  28 -22.813   5.667  11.733
  238    HD2  HIS  28           HD2      HIS  28 -22.015   2.106   9.659
  239    HE1  HIS  28           HE1      HIS  28 -23.672   3.751  13.177
  240    H    MET  29           HN       MET  29 -18.203   5.240   8.179
  241    HA   MET  29           HA       MET  29 -18.919   7.077   6.000
  242   1HB   MET  29           HB2      MET  29 -16.488   6.639   7.717
  243   2HB   MET  29           HB1      MET  29 -16.347   7.574   6.232
  244   1HG   MET  29           HG2      MET  29 -16.832   8.985   8.244
  245   2HG   MET  29           HG1      MET  29 -18.043   9.135   6.973
  246   1HE   MET  29           HE1      MET  29 -16.797   7.652   9.980
  247   2HE   MET  29           HE3      MET  29 -18.149   7.596  11.121
  248   3HE   MET  29           HE2      MET  29 -17.801   6.208  10.094
  249    H    ALA  30           HN       ALA  30 -15.794   6.262   5.310
  250    HA   ALA  30           HA       ALA  30 -15.674   3.805   4.107
  251   1HB   ALA  30           HB1      ALA  30 -17.702   5.417   2.815
  252   2HB   ALA  30           HB3      ALA  30 -16.442   4.952   1.673
  253   3HB   ALA  30           HB2      ALA  30 -17.311   3.714   2.580
  254    H    ASN  31           HN       ASN  31 -14.549   6.965   4.329
  255    HA   ASN  31           HA       ASN  31 -12.773   6.858   2.003
  256   1HB   ASN  31           HB2      ASN  31 -11.728   8.892   3.129
  257   2HB   ASN  31           HB1      ASN  31 -13.427   9.060   2.687
  258   1HD2  ASN  31          HD22      ASN  31 -12.342   9.238   6.587
  259   2HD2  ASN  31          HD21      ASN  31 -11.193   9.036   5.355
  260    H    LYS  32           HN       LYS  32 -12.809   4.943   4.500
  261    HA   LYS  32           HA       LYS  32 -10.114   5.192   5.578
  262   1HB   LYS  32           HB2      LYS  32 -12.442   4.053   6.443
  263   2HB   LYS  32           HB1      LYS  32 -11.562   2.640   5.864
  264   1HG   LYS  32           HG2      LYS  32 -10.564   4.677   7.868
  265   2HG   LYS  32           HG1      LYS  32 -11.039   3.015   8.217
  266   1HD   LYS  32           HD2      LYS  32  -9.233   2.183   6.773
  267   2HD   LYS  32           HD1      LYS  32  -8.764   3.840   6.390
  268   1HE   LYS  32           HE2      LYS  32  -8.762   3.935   9.113
  269   2HE   LYS  32           HE1      LYS  32  -8.272   2.262   8.845
  270   1HZ   LYS  32           HZ1      LYS  32  -6.997   4.301   7.195
  271   2HZ   LYS  32           HZ3      LYS  32  -6.556   4.258   8.832
  272   3HZ   LYS  32           HZ2      LYS  32  -6.350   2.878   7.862
  273    H    LEU  33           HN       LEU  33  -9.541   5.088   2.968
  274    HA   LEU  33           HA       LEU  33  -8.687   2.252   2.543
  275   1HB   LEU  33           HB2      LEU  33  -9.871   4.175   0.520
  276   2HB   LEU  33           HB1      LEU  33  -8.969   2.738   0.040
  277    HG   LEU  33           HG       LEU  33 -11.572   2.879   1.570
  278   1HD1  LEU  33          HD11      LEU  33 -11.206   2.762  -1.065
  279   2HD1  LEU  33          HD13      LEU  33 -10.968   1.049  -0.719
  280   3HD1  LEU  33          HD12      LEU  33 -12.488   1.834  -0.284
  281   1HD2  LEU  33          HD23      LEU  33  -9.435   0.818   1.618
  282   2HD2  LEU  33          HD22      LEU  33 -10.709   1.143   2.794
  283   3HD2  LEU  33          HD21      LEU  33 -11.068   0.214   1.341
  284    H    GLU  34           HN       GLU  34  -6.616   2.899   3.447
  285    HA   GLU  34           HA       GLU  34  -5.115   4.977   1.956
  286   1HB   GLU  34           HB2      GLU  34  -5.151   4.640   4.547
  287   2HB   GLU  34           HB1      GLU  34  -4.008   3.338   4.230
  288   1HG   GLU  34           HG2      GLU  34  -2.897   5.282   2.714
  289   2HG   GLU  34           HG1      GLU  34  -3.660   6.277   3.957
  290    H    PHE  35           HN       PHE  35  -2.753   2.976   2.965
  291    HA   PHE  35           HA       PHE  35  -2.965   0.946   0.856
  292   1HB   PHE  35           HB2      PHE  35  -0.364   2.003   0.484
  293   2HB   PHE  35           HB1      PHE  35  -1.691   2.001  -0.675
  294    HD1  PHE  35           HD2      PHE  35  -0.241   3.906   2.182
  295    HD2  PHE  35           HD1      PHE  35  -2.755   4.009  -1.295
  296    HE1  PHE  35           HE2      PHE  35  -0.412   6.371   2.381
  297    HE2  PHE  35           HE1      PHE  35  -2.929   6.473  -1.098
  298    HZ   PHE  35           HZ       PHE  35  -1.758   7.647   0.742
  299    HA   PRO  36           HA       PRO  36  -0.948  -1.228   4.095
  300   1HB   PRO  36           HB2      PRO  36  -0.004  -3.280   2.374
  301   2HB   PRO  36           HB1      PRO  36  -1.507  -3.278   3.296
  302   1HG   PRO  36           HG2      PRO  36  -1.163  -2.917   0.412
  303   2HG   PRO  36           HG1      PRO  36  -2.643  -3.234   1.328
  304   1HD   PRO  36           HD2      PRO  36  -1.886  -0.765   0.154
  305   2HD   PRO  36           HD1      PRO  36  -3.229  -1.025   1.295
  306    H    GLY  37           HN       GLY  37   0.779   0.271   4.472
  307   1HA   GLY  37           HA2      GLY  37   2.964   0.833   2.809
  308   2HA   GLY  37           HA1      GLY  37   3.015   0.931   4.562
  309    H    GLY  38           HN       GLY  38   5.163   0.172   4.566
  310   1HA   GLY  38           HA2      GLY  38   5.686  -2.452   5.192
  311   2HA   GLY  38           HA1      GLY  38   5.894  -2.406   3.437
  312    H    LYS  39           HN       LYS  39   6.729   0.462   3.603
  313    HA   LYS  39           HA       LYS  39   8.686   1.710   3.761
  314   1HB   LYS  39           HB2      LYS  39   8.529   1.428   6.162
  315   2HB   LYS  39           HB1      LYS  39   9.205  -0.198   6.055
  316   1HG   LYS  39           HG2      LYS  39  11.120   0.994   6.598
  317   2HG   LYS  39           HG1      LYS  39  11.200   1.083   4.840
  318   1HD   LYS  39           HD2      LYS  39   9.918   3.269   4.998
  319   2HD   LYS  39           HD1      LYS  39  10.186   3.200   6.739
  320   1HE   LYS  39           HE2      LYS  39  12.467   2.952   4.779
  321   2HE   LYS  39           HE1      LYS  39  11.916   4.517   5.370
  322   1HZ   LYS  39           HZ3      LYS  39  12.141   2.860   7.577
  323   2HZ   LYS  39           HZ2      LYS  39  13.551   2.618   6.661
  324   3HZ   LYS  39           HZ1      LYS  39  13.125   4.181   7.177
  325    H    ILE  40           HN       ILE  40   9.639   1.160   1.795
  326    HA   ILE  40           HA       ILE  40  11.130  -1.354   1.550
  327    HB   ILE  40           HB       ILE  40  10.414  -0.879  -0.558
  328   1HG1  ILE  40          HG12      ILE  40  13.014  -0.656  -0.440
  329   2HG1  ILE  40          HG11      ILE  40  12.187  -0.207  -1.930
  330   1HG2  ILE  40          HG22      ILE  40  10.465   1.984   0.324
  331   2HG2  ILE  40          HG21      ILE  40  10.369   1.602  -1.394
  332   3HG2  ILE  40          HG23      ILE  40   9.116   1.031  -0.293
  333   1HD1  ILE  40          HD12      ILE  40  12.346   2.017  -0.031
  334   2HD1  ILE  40          HD11      ILE  40  13.937   1.403  -0.479
  335   3HD1  ILE  40          HD13      ILE  40  12.823   1.955  -1.729
  336    H    GLU  41           HN       GLU  41  13.276  -1.610   1.904
  337    HA   GLU  41           HA       GLU  41  15.184   0.544   1.810
  338   1HB   GLU  41           HB2      GLU  41  15.525   1.059   4.056
  339   2HB   GLU  41           HB1      GLU  41  13.777   0.848   4.019
  340   1HG   GLU  41           HG2      GLU  41  14.408  -1.682   4.535
  341   2HG   GLU  41           HG1      GLU  41  15.875  -0.941   5.182
  342    H    MET  42           HN       MET  42  14.341  -2.697   2.919
  343    HA   MET  42           HA       MET  42  16.953  -3.673   3.450
  344   1HB   MET  42           HB2      MET  42  14.388  -4.966   2.556
  345   2HB   MET  42           HB1      MET  42  15.869  -5.921   2.665
  346   1HG   MET  42           HG2      MET  42  15.968  -5.763   4.957
  347   2HG   MET  42           HG1      MET  42  15.218  -4.166   4.985
  348   1HE   MET  42           HE3      MET  42  14.855  -6.305   6.891
  349   2HE   MET  42           HE2      MET  42  13.516  -5.200   7.192
  350   3HE   MET  42           HE1      MET  42  13.206  -6.928   7.042
  351    H    GLY  43           HN       GLY  43  18.147  -5.270   2.015
  352   1HA   GLY  43           HA2      GLY  43  19.400  -5.576   0.049
  353   2HA   GLY  43           HA1      GLY  43  17.839  -5.476  -0.773
  354    H    GLU  44           HN       GLU  44  17.943  -3.999  -2.364
  355    HA   GLU  44           HA       GLU  44  18.575  -1.236  -1.811
  356   1HB   GLU  44           HB2      GLU  44  20.514  -1.160  -3.479
  357   2HB   GLU  44           HB1      GLU  44  20.875  -1.896  -1.918
  358   1HG   GLU  44           HG2      GLU  44  19.866  -3.672  -4.101
  359   2HG   GLU  44           HG1      GLU  44  21.537  -3.110  -4.193
  360    H    THR  45           HN       THR  45  16.559  -3.054  -3.088
  361    HA   THR  45           HA       THR  45  16.075  -1.414  -5.485
  362    HB   THR  45           HB       THR  45  16.576  -4.403  -5.566
  363    HG1  THR  45           HG1      THR  45  17.774  -3.313  -7.510
  364   1HG2  THR  45          HG21      THR  45  14.532  -3.141  -6.929
  365   2HG2  THR  45          HG23      THR  45  15.857  -3.077  -8.087
  366   3HG2  THR  45          HG22      THR  45  15.324  -4.628  -7.442
  367    HA   PRO  46           HA       PRO  46  11.941  -1.697  -3.965
  368   1HB   PRO  46           HB2      PRO  46  11.014  -2.090  -6.727
  369   2HB   PRO  46           HB1      PRO  46  10.700  -0.749  -5.614
  370   1HG   PRO  46           HG2      PRO  46  12.473  -0.704  -7.834
  371   2HG   PRO  46           HG1      PRO  46  12.347   0.523  -6.566
  372   1HD   PRO  46           HD2      PRO  46  14.523  -1.319  -7.027
  373   2HD   PRO  46           HD1      PRO  46  14.389  -0.081  -5.763
  374    H    GLU  47           HN       GLU  47  13.416  -4.181  -5.923
  375    HA   GLU  47           HA       GLU  47  11.203  -6.069  -5.635
  376   1HB   GLU  47           HB2      GLU  47  13.791  -5.986  -6.964
  377   2HB   GLU  47           HB1      GLU  47  13.604  -7.495  -6.069
  378   1HG   GLU  47           HG2      GLU  47  11.513  -7.971  -7.189
  379   2HG   GLU  47           HG1      GLU  47  11.527  -6.394  -7.980
  380    H    GLN  48           HN       GLN  48  14.548  -6.675  -4.513
  381    HA   GLN  48           HA       GLN  48  13.841  -8.346  -2.384
  382   1HB   GLN  48           HB2      GLN  48  16.135  -6.372  -2.571
  383   2HB   GLN  48           HB1      GLN  48  15.963  -7.547  -1.258
  384   1HG   GLN  48           HG2      GLN  48  16.332  -9.371  -2.657
  385   2HG   GLN  48           HG1      GLN  48  15.821  -8.498  -4.101
  386   1HE2  GLN  48          HE22      GLN  48  19.719  -8.534  -3.121
  387   2HE2  GLN  48          HE21      GLN  48  18.569  -9.529  -2.367
  388    H    ALA  49           HN       ALA  49  13.821  -4.862  -2.523
  389    HA   ALA  49           HA       ALA  49  13.503  -4.379   0.265
  390   1HB   ALA  49           HB1      ALA  49  13.193  -2.840  -2.232
  391   2HB   ALA  49           HB3      ALA  49  12.190  -2.289  -0.893
  392   3HB   ALA  49           HB2      ALA  49  13.941  -2.374  -0.706
  393    H    VAL  50           HN       VAL  50  10.963  -4.172  -2.268
  394    HA   VAL  50           HA       VAL  50   8.862  -4.185  -0.301
  395    HB   VAL  50           HB       VAL  50   8.814  -3.262  -2.675
  396   1HG1  VAL  50          HG13      VAL  50   9.570  -5.491  -3.676
  397   2HG1  VAL  50          HG12      VAL  50   7.948  -6.089  -3.340
  398   3HG1  VAL  50          HG11      VAL  50   8.180  -4.745  -4.457
  399   1HG2  VAL  50          HG22      VAL  50   6.838  -3.940  -0.960
  400   2HG2  VAL  50          HG21      VAL  50   6.534  -3.196  -2.530
  401   3HG2  VAL  50          HG23      VAL  50   6.396  -4.945  -2.340
  402    H    VAL  51           HN       VAL  51  10.127  -6.662  -2.440
  403    HA   VAL  51           HA       VAL  51   8.353  -8.763  -1.819
  404    HB   VAL  51           HB       VAL  51  10.213  -8.553  -3.636
  405   1HG1  VAL  51          HG13      VAL  51  12.042  -8.283  -1.960
  406   2HG1  VAL  51          HG12      VAL  51  11.753  -9.939  -1.426
  407   3HG1  VAL  51          HG11      VAL  51  12.316  -9.625  -3.067
  408   1HG2  VAL  51          HG21      VAL  51   9.368 -11.016  -2.145
  409   2HG2  VAL  51          HG23      VAL  51   8.918 -10.482  -3.765
  410   3HG2  VAL  51          HG22      VAL  51  10.524 -11.150  -3.471
  411    H    ARG  52           HN       ARG  52  11.436  -7.845  -0.276
  412    HA   ARG  52           HA       ARG  52  11.332 -10.014   1.646
  413   1HB   ARG  52           HB2      ARG  52  12.949  -7.450   1.572
  414   2HB   ARG  52           HB1      ARG  52  13.155  -8.697   2.791
  415   1HG   ARG  52           HG2      ARG  52  13.144  -9.919   0.187
  416   2HG   ARG  52           HG1      ARG  52  14.333  -8.617   0.221
  417   1HD   ARG  52           HD2      ARG  52  15.714  -9.815   1.533
  418   2HD   ARG  52           HD1      ARG  52  14.422 -10.145   2.685
  419    HE   ARG  52           HE       ARG  52  13.863 -11.876   0.615
  420   1HH1  ARG  52          HH11      ARG  52  16.501 -11.193   2.727
  421   2HH1  ARG  52          HH12      ARG  52  17.213 -12.761   2.559
  422   1HH2  ARG  52          HH21      ARG  52  14.837 -13.895   0.304
  423   2HH2  ARG  52          HH22      ARG  52  16.272 -14.291   1.189
  424    H    GLU  53           HN       GLU  53  10.664  -6.516   1.796
  425    HA   GLU  53           HA       GLU  53   9.763  -6.441   4.504
  426   1HB   GLU  53           HB2      GLU  53   8.704  -4.764   2.224
  427   2HB   GLU  53           HB1      GLU  53   8.673  -4.363   3.942
  428   1HG   GLU  53           HG2      GLU  53  11.339  -5.053   2.962
  429   2HG   GLU  53           HG1      GLU  53  10.650  -3.620   2.171
  430    H    LEU  54           HN       LEU  54   8.444  -7.749   1.655
  431    HA   LEU  54           HA       LEU  54   5.663  -7.714   2.475
  432   1HB   LEU  54           HB2      LEU  54   7.235  -8.435   0.159
  433   2HB   LEU  54           HB1      LEU  54   6.077  -9.695   0.533
  434    HG   LEU  54           HG       LEU  54   4.983  -8.088  -0.937
  435   1HD1  LEU  54          HD13      LEU  54   3.866  -8.968   1.289
  436   2HD1  LEU  54          HD12      LEU  54   3.955  -7.270   1.755
  437   3HD1  LEU  54          HD11      LEU  54   3.061  -7.743   0.312
  438   1HD2  LEU  54          HD23      LEU  54   6.158  -6.121   1.014
  439   2HD2  LEU  54          HD22      LEU  54   6.266  -6.130  -0.746
  440   3HD2  LEU  54          HD21      LEU  54   4.751  -5.691   0.042
  441    H    GLN  55           HN       GLN  55   7.859 -10.428   1.842
  442    HA   GLN  55           HA       GLN  55   6.368 -12.405   3.179
  443   1HB   GLN  55           HB2      GLN  55   9.086 -13.026   3.721
  444   2HB   GLN  55           HB1      GLN  55   8.075 -13.672   2.430
  445   1HG   GLN  55           HG2      GLN  55   8.789 -11.981   0.899
  446   2HG   GLN  55           HG1      GLN  55   9.547 -11.039   2.187
  447   1HE2  GLN  55          HE22      GLN  55  11.520 -14.243   0.574
  448   2HE2  GLN  55          HE21      GLN  55   9.886 -13.970   0.200
  449    H    GLU  56           HN       GLU  56   9.106 -10.528   4.542
  450    HA   GLU  56           HA       GLU  56   9.079 -11.434   7.150
  451   1HB   GLU  56           HB2      GLU  56   9.707  -9.080   7.835
  452   2HB   GLU  56           HB1      GLU  56  10.664  -9.731   6.507
  453   1HG   GLU  56           HG2      GLU  56  10.162  -7.712   5.610
  454   2HG   GLU  56           HG1      GLU  56   8.720  -8.568   5.073
  455    H    GLU  57           HN       GLU  57   6.707  -9.356   5.606
  456    HA   GLU  57           HA       GLU  57   5.286  -8.754   8.072
  457   1HB   GLU  57           HB2      GLU  57   5.009  -8.132   5.211
  458   2HB   GLU  57           HB1      GLU  57   3.465  -8.355   6.040
  459   1HG   GLU  57           HG2      GLU  57   3.811  -6.561   7.462
  460   2HG   GLU  57           HG1      GLU  57   5.566  -6.709   7.380
  461    H    VAL  58           HN       VAL  58   3.525 -10.115   5.342
  462    HA   VAL  58           HA       VAL  58   2.157 -11.942   7.154
  463    HB   VAL  58           HB       VAL  58   1.892 -11.798   4.144
  464   1HG1  VAL  58          HG13      VAL  58   0.283 -12.829   6.452
  465   2HG1  VAL  58          HG12      VAL  58  -0.559 -12.238   5.019
  466   3HG1  VAL  58          HG11      VAL  58   0.585 -13.573   4.882
  467   1HG2  VAL  58          HG21      VAL  58   0.939  -9.948   6.319
  468   2HG2  VAL  58          HG23      VAL  58   1.609  -9.549   4.735
  469   3HG2  VAL  58          HG22      VAL  58  -0.035 -10.175   4.865
  470    H    GLY  59           HN       GLY  59   3.445 -12.760   3.915
  471   1HA   GLY  59           HA2      GLY  59   5.499 -14.274   3.944
  472   2HA   GLY  59           HA1      GLY  59   4.653 -15.172   5.201
  473    H    ILE  60           HN       ILE  60   3.741 -13.930   1.939
  474    HA   ILE  60           HA       ILE  60   2.621 -16.664   1.457
  475    HB   ILE  60           HB       ILE  60   1.283 -15.512  -0.399
  476   1HG1  ILE  60          HG12      ILE  60   0.904 -13.044   0.131
  477   2HG1  ILE  60          HG11      ILE  60   2.396 -13.112   1.064
  478   1HG2  ILE  60          HG21      ILE  60   0.844 -15.813   2.352
  479   2HG2  ILE  60          HG23      ILE  60   0.308 -14.174   1.983
  480   3HG2  ILE  60          HG22      ILE  60  -0.380 -15.543   1.115
  481   1HD1  ILE  60          HD12      ILE  60   2.180 -13.956  -1.826
  482   2HD1  ILE  60          HD11      ILE  60   2.701 -12.352  -1.305
  483   3HD1  ILE  60          HD13      ILE  60   3.654 -13.771  -0.875
  484    H    THR  61           HN       THR  61   2.612 -15.763  -1.617
  485    HA   THR  61           HA       THR  61   5.494 -15.726  -2.134
  486    HB   THR  61           HB       THR  61   3.914 -18.268  -2.376
  487    HG1  THR  61           HG1      THR  61   6.604 -18.092  -1.734
  488   1HG2  THR  61          HG22      THR  61   6.214 -17.338  -4.082
  489   2HG2  THR  61          HG21      THR  61   6.028 -19.048  -3.693
  490   3HG2  THR  61          HG23      THR  61   4.756 -18.199  -4.572
  491    HA   PRO  62           HA       PRO  62   3.274 -16.284  -6.507
  492   1HB   PRO  62           HB2      PRO  62   0.525 -15.637  -5.786
  493   2HB   PRO  62           HB1      PRO  62   1.131 -16.990  -6.750
  494   1HG   PRO  62           HG2      PRO  62   0.225 -17.065  -4.045
  495   2HG   PRO  62           HG1      PRO  62   0.898 -18.400  -4.986
  496   1HD   PRO  62           HD2      PRO  62   2.136 -17.117  -2.771
  497   2HD   PRO  62           HD1      PRO  62   2.886 -18.280  -3.874
  498    H    GLN  63           HN       GLN  63   1.213 -14.336  -4.560
  499    HA   GLN  63           HA       GLN  63   0.574 -12.062  -4.826
  500   1HB   GLN  63           HB2      GLN  63   2.205 -10.717  -3.801
  501   2HB   GLN  63           HB1      GLN  63   2.437 -12.311  -3.114
  502   1HG   GLN  63           HG2      GLN  63   3.991 -12.366  -5.391
  503   2HG   GLN  63           HG1      GLN  63   4.243 -10.735  -4.809
  504   1HE2  GLN  63          HE22      GLN  63   6.861 -12.512  -3.050
  505   2HE2  GLN  63          HE21      GLN  63   6.543 -11.745  -4.530
  506    H    HIS  64           HN       HIS  64   1.528 -13.160  -7.545
  507    HA   HIS  64           HA       HIS  64   3.132 -11.973  -9.209
  508   1HB   HIS  64           HB2      HIS  64   1.060 -12.941 -10.054
  509   2HB   HIS  64           HB1      HIS  64   0.144 -11.542  -9.494
  510    HD1  HIS  64           HD1      HIS  64  -0.553 -11.184 -12.062
  511    HD2  HIS  64           HD2      HIS  64   3.514 -10.650 -11.176
  512    HE1  HIS  64           HE1      HIS  64   0.490  -9.950 -14.036
  513    H    PHE  65           HN       PHE  65   4.183 -10.278  -8.000
  514    HA   PHE  65           HA       PHE  65   2.834  -7.810  -7.350
  515   1HB   PHE  65           HB2      PHE  65   5.291  -7.046  -6.974
  516   2HB   PHE  65           HB1      PHE  65   4.643  -8.343  -5.963
  517    HD1  PHE  65           HD1      PHE  65   6.385  -7.844  -9.243
  518    HD2  PHE  65           HD2      PHE  65   5.868 -10.336  -5.783
  519    HE1  PHE  65           HE1      PHE  65   8.194  -9.333 -10.050
  520    HE2  PHE  65           HE2      PHE  65   7.681 -11.829  -6.591
  521    HZ   PHE  65           HZ       PHE  65   8.843 -11.327  -8.725
  522    H    SER  66           HN       SER  66   2.999  -5.792  -8.271
  523    HA   SER  66           HA       SER  66   4.461  -5.444 -10.816
  524   1HB   SER  66           HB2      SER  66   1.519  -4.767 -10.655
  525   2HB   SER  66           HB1      SER  66   2.543  -4.819 -12.082
  526    HG   SER  66           HG       SER  66   2.477  -6.969 -12.074
  527    H    LEU  67           HN       LEU  67   4.798  -3.148 -11.261
  528    HA   LEU  67           HA       LEU  67   4.729  -1.496  -8.842
  529   1HB   LEU  67           HB2      LEU  67   6.508  -1.553 -10.784
  530   2HB   LEU  67           HB1      LEU  67   5.412  -0.413 -11.557
  531    HG   LEU  67           HG       LEU  67   7.036  -0.089  -9.055
  532   1HD1  LEU  67          HD12      LEU  67   7.320   0.848 -11.559
  533   2HD1  LEU  67          HD11      LEU  67   6.287   2.118 -10.903
  534   3HD1  LEU  67          HD13      LEU  67   7.840   1.763 -10.144
  535   1HD2  LEU  67          HD22      LEU  67   4.683   0.297  -8.345
  536   2HD2  LEU  67          HD21      LEU  67   5.613   1.794  -8.354
  537   3HD2  LEU  67          HD23      LEU  67   4.489   1.448  -9.666
  538    H    PHE  68           HN       PHE  68   3.640  -0.768 -12.132
  539    HA   PHE  68           HA       PHE  68   1.581   0.049 -12.907
  540   1HB   PHE  68           HB2      PHE  68  -0.122  -0.508 -11.543
  541   2HB   PHE  68           HB1      PHE  68   0.937  -0.612 -10.165
  542    HD1  PHE  68           HD2      PHE  68  -0.838   1.890 -12.302
  543    HD2  PHE  68           HD1      PHE  68   0.736   0.957  -8.417
  544    HE1  PHE  68           HE2      PHE  68  -1.819   3.981 -11.404
  545    HE2  PHE  68           HE1      PHE  68  -0.246   3.050  -7.518
  546    HZ   PHE  68           HZ       PHE  68  -1.524   4.563  -9.011
  547    H    GLU  69           HN       GLU  69   2.692   1.735  -9.973
  548    HA   GLU  69           HA       GLU  69   3.957   3.921 -11.054
  549   1HB   GLU  69           HB2      GLU  69   1.148   4.002 -11.792
  550   2HB   GLU  69           HB1      GLU  69   1.571   5.398 -10.806
  551   1HG   GLU  69           HG2      GLU  69   3.540   4.685 -12.905
  552   2HG   GLU  69           HG1      GLU  69   1.993   5.302 -13.488
  553    H    LYS  70           HN       LYS  70   4.508   5.392  -9.446
  554    HA   LYS  70           HA       LYS  70   3.086   5.052  -6.830
  555   1HB   LYS  70           HB2      LYS  70   5.218   5.185  -5.732
  556   2HB   LYS  70           HB1      LYS  70   5.370   3.985  -7.010
  557   1HG   LYS  70           HG2      LYS  70   5.993   6.335  -8.319
  558   2HG   LYS  70           HG1      LYS  70   6.707   6.583  -6.726
  559   1HD   LYS  70           HD2      LYS  70   7.126   3.910  -7.953
  560   2HD   LYS  70           HD1      LYS  70   7.982   5.262  -8.700
  561   1HE   LYS  70           HE2      LYS  70   8.010   5.069  -5.722
  562   2HE   LYS  70           HE1      LYS  70   9.020   3.943  -6.629
  563   1HZ   LYS  70           HZ1      LYS  70   9.039   6.872  -7.072
  564   2HZ   LYS  70           HZ3      LYS  70  10.115   6.083  -6.026
  565   3HZ   LYS  70           HZ2      LYS  70  10.132   5.726  -7.689
  566    H    LEU  71           HN       LEU  71   3.667   6.951  -5.301
  567    HA   LEU  71           HA       LEU  71   3.762   9.492  -6.873
  568   1HB   LEU  71           HB2      LEU  71   2.409  10.478  -4.938
  569   2HB   LEU  71           HB1      LEU  71   1.539   9.401  -6.022
  570    HG   LEU  71           HG       LEU  71   1.610   7.600  -4.439
  571   1HD1  LEU  71          HD11      LEU  71   3.610   9.334  -2.971
  572   2HD1  LEU  71          HD13      LEU  71   2.768   7.999  -2.182
  573   3HD1  LEU  71          HD12      LEU  71   3.824   7.684  -3.559
  574   1HD2  LEU  71          HD23      LEU  71   0.265   9.921  -3.961
  575   2HD2  LEU  71          HD22      LEU  71   0.096   8.479  -2.961
  576   3HD2  LEU  71          HD21      LEU  71   1.184   9.774  -2.462
  577    H    GLU  72           HN       GLU  72   4.322  11.367  -5.223
  578    HA   GLU  72           HA       GLU  72   6.174  10.540  -3.100
  579   1HB   GLU  72           HB2      GLU  72   7.319  10.773  -5.549
  580   2HB   GLU  72           HB1      GLU  72   7.401  12.453  -5.019
  581   1HG   GLU  72           HG2      GLU  72   8.539  11.775  -2.953
  582   2HG   GLU  72           HG1      GLU  72   8.417  10.076  -3.416
  583    H    TYR  73           HN       TYR  73   4.600  11.682  -1.844
  584    HA   TYR  73           HA       TYR  73   4.037  14.489  -2.410
  585   1HB   TYR  73           HB2      TYR  73   2.769  12.488  -0.948
  586   2HB   TYR  73           HB1      TYR  73   3.433  13.542   0.300
  587    HD1  TYR  73           HD1      TYR  73   2.171  14.318  -3.135
  588    HD2  TYR  73           HD2      TYR  73   1.659  14.860   1.094
  589    HE1  TYR  73           HE1      TYR  73   0.356  15.949  -3.565
  590    HE2  TYR  73           HE2      TYR  73  -0.157  16.495   0.665
  591    HH   TYR  73           HH       TYR  73  -1.120  17.795  -0.943
  592    H    GLU  74           HN       GLU  74   4.872  16.260  -1.153
  593    HA   GLU  74           HA       GLU  74   7.332  15.497   0.344
  594   1HB   GLU  74           HB2      GLU  74   7.186  17.082  -1.872
  595   2HB   GLU  74           HB1      GLU  74   7.074  18.293  -0.593
  596   1HG   GLU  74           HG2      GLU  74   9.082  16.927   0.448
  597   2HG   GLU  74           HG1      GLU  74   9.314  16.400  -1.220
  598    H    PHE  75           HN       PHE  75   7.965  17.281   1.966
  599    HA   PHE  75           HA       PHE  75   5.615  18.559   3.257
  600   1HB   PHE  75           HB2      PHE  75   6.825  16.144   4.163
  601   2HB   PHE  75           HB1      PHE  75   7.332  17.412   5.275
  602    HD1  PHE  75           HD1      PHE  75   4.134  17.466   3.380
  603    HD2  PHE  75           HD2      PHE  75   6.020  16.714   7.166
  604    HE1  PHE  75           HE1      PHE  75   1.912  17.410   4.477
  605    HE2  PHE  75           HE2      PHE  75   3.798  16.658   8.261
  606    HZ   PHE  75           HZ       PHE  75   1.744  17.007   6.918
  607    HA   PRO  76           HA       PRO  76   8.308  21.851   4.383
  608   1HB   PRO  76           HB2      PRO  76   8.637  21.324   7.228
  609   2HB   PRO  76           HB1      PRO  76   7.708  22.611   6.442
  610   1HG   PRO  76           HG2      PRO  76   6.653  20.333   7.775
  611   2HG   PRO  76           HG1      PRO  76   5.748  21.493   6.793
  612   1HD   PRO  76           HD2      PRO  76   6.454  18.753   6.167
  613   2HD   PRO  76           HD1      PRO  76   5.407  19.849   5.246
  614    H    ASP  77           HN       ASP  77   9.168  18.713   5.674
  615    HA   ASP  77           HA       ASP  77  11.869  18.890   4.686
  616   1HB   ASP  77           HB2      ASP  77  13.048  18.791   6.850
  617   2HB   ASP  77           HB1      ASP  77  12.137  20.295   6.719
  618    H    ARG  78           HN       ARG  78   9.598  17.160   4.501
  619    HA   ARG  78           HA       ARG  78  10.813  14.650   5.552
  620   1HB   ARG  78           HB2      ARG  78   8.471  15.815   6.547
  621   2HB   ARG  78           HB1      ARG  78   7.902  14.550   5.452
  622   1HG   ARG  78           HG2      ARG  78   8.245  13.683   7.750
  623   2HG   ARG  78           HG1      ARG  78   9.313  12.897   6.590
  624   1HD   ARG  78           HD2      ARG  78  11.109  13.567   7.759
  625   2HD   ARG  78           HD1      ARG  78  10.628  15.250   7.549
  626    HE   ARG  78           HE       ARG  78  10.617  14.081  10.021
  627   1HH1  ARG  78          HH11      ARG  78   8.042  12.941  10.013
  628   2HH1  ARG  78          HH12      ARG  78   6.952  14.247  10.335
  629   1HH2  ARG  78          HH21      ARG  78   9.252  16.714   9.531
  630   2HH2  ARG  78          HH22      ARG  78   7.636  16.383  10.059
  631    H    HIS  79           HN       HIS  79  11.547  14.019   3.498
  632    HA   HIS  79           HA       HIS  79   9.762  14.119   1.170
  633   1HB   HIS  79           HB2      HIS  79  12.593  13.614   1.697
  634   2HB   HIS  79           HB1      HIS  79  11.923  12.478   0.527
  635    HD1  HIS  79           HD1      HIS  79  12.257  13.316  -1.796
  636    HD2  HIS  79           HD2      HIS  79  11.420  16.429   0.894
  637    HE1  HIS  79           HE1      HIS  79  12.209  15.480  -3.144
  638    H    ILE  80           HN       ILE  80   8.175  12.583   0.924
  639    HA   ILE  80           HA       ILE  80   8.739   9.849   2.011
  640    HB   ILE  80           HB       ILE  80   6.094  11.302   1.653
  641   1HG1  ILE  80          HG12      ILE  80   5.951  11.420   3.956
  642   2HG1  ILE  80          HG11      ILE  80   6.901   9.959   4.197
  643   1HG2  ILE  80          HG21      ILE  80   6.682   8.505   1.509
  644   2HG2  ILE  80          HG23      ILE  80   5.806   8.818   2.992
  645   3HG2  ILE  80          HG22      ILE  80   5.113   9.296   1.448
  646   1HD1  ILE  80          HD13      ILE  80   8.066  12.600   3.278
  647   2HD1  ILE  80          HD12      ILE  80   8.047  12.063   4.956
  648   3HD1  ILE  80          HD11      ILE  80   8.957  11.155   3.752
  649    H    THR  81           HN       THR  81   8.308   8.077   0.715
  650    HA   THR  81           HA       THR  81   7.336   8.572  -2.065
  651    HB   THR  81           HB       THR  81   9.346   6.424  -1.551
  652    HG1  THR  81           HG1      THR  81  10.075   9.110  -2.080
  653   1HG2  THR  81          HG23      THR  81   8.518   8.209  -3.833
  654   2HG2  THR  81          HG22      THR  81  10.038   7.316  -3.888
  655   3HG2  THR  81          HG21      THR  81   8.509   6.447  -3.750
  656    H    LEU  82           HN       LEU  82   5.901   6.915  -2.783
  657    HA   LEU  82           HA       LEU  82   5.458   4.708  -0.809
  658   1HB   LEU  82           HB2      LEU  82   3.723   6.749  -1.107
  659   2HB   LEU  82           HB1      LEU  82   3.127   5.675  -2.374
  660    HG   LEU  82           HG       LEU  82   3.683   4.066  -0.094
  661   1HD1  LEU  82          HD13      LEU  82   3.484   6.349   1.069
  662   2HD1  LEU  82          HD12      LEU  82   1.787   6.320   0.587
  663   3HD1  LEU  82          HD11      LEU  82   2.423   5.069   1.657
  664   1HD2  LEU  82          HD22      LEU  82   1.969   3.763  -1.923
  665   2HD2  LEU  82          HD21      LEU  82   1.334   3.516  -0.297
  666   3HD2  LEU  82          HD23      LEU  82   1.007   5.023  -1.152
  667    H    TRP  83           HN       TRP  83   6.832   3.415  -2.290
  668    HA   TRP  83           HA       TRP  83   6.316   2.947  -5.026
  669   1HB   TRP  83           HB2      TRP  83   7.193   1.011  -2.863
  670   2HB   TRP  83           HB1      TRP  83   7.199   0.622  -4.583
  671    HD1  TRP  83           HD1      TRP  83   8.837   2.950  -2.031
  672    HE1  TRP  83           HE1      TRP  83  11.070   3.852  -3.014
  673    HE3  TRP  83           HE3      TRP  83   8.496   1.058  -6.763
  674    HZ2  TRP  83           HZ2      TRP  83  12.477   3.754  -5.503
  675    HZ3  TRP  83           HZ3      TRP  83  10.293   1.477  -8.416
  676    HH2  TRP  83           HH2      TRP  83  12.282   2.821  -7.793
  677    H    PHE  84           HN       PHE  84   4.278   2.608  -5.817
  678    HA   PHE  84           HA       PHE  84   2.322   1.048  -4.258
  679   1HB   PHE  84           HB2      PHE  84   2.264   2.736  -6.718
  680   2HB   PHE  84           HB1      PHE  84   1.022   1.499  -6.544
  681    HD1  PHE  84           HD2      PHE  84   2.509   4.511  -4.961
  682    HD2  PHE  84           HD1      PHE  84  -0.732   1.692  -4.922
  683    HE1  PHE  84           HE2      PHE  84   1.272   5.956  -3.370
  684    HE2  PHE  84           HE1      PHE  84  -1.968   3.137  -3.330
  685    HZ   PHE  84           HZ       PHE  84  -0.966   5.269  -2.555
  686    H    TRP  85           HN       TRP  85   3.864  -0.918  -4.505
  687    HA   TRP  85           HA       TRP  85   4.062  -2.169  -7.119
  688   1HB   TRP  85           HB2      TRP  85   4.693  -2.891  -4.307
  689   2HB   TRP  85           HB1      TRP  85   4.328  -4.246  -5.374
  690    HD1  TRP  85           HD1      TRP  85   6.953  -1.673  -4.606
  691    HE1  TRP  85           HE1      TRP  85   9.023  -2.026  -6.128
  692    HE3  TRP  85           HE3      TRP  85   5.014  -5.090  -7.862
  693    HZ2  TRP  85           HZ2      TRP  85   9.713  -3.582  -8.440
  694    HZ3  TRP  85           HZ3      TRP  85   6.391  -5.991  -9.712
  695    HH2  TRP  85           HH2      TRP  85   8.736  -5.244 -10.007
  696    H    LEU  86           HN       LEU  86   1.747  -2.034  -7.821
  697    HA   LEU  86           HA       LEU  86  -0.278  -3.350  -6.234
  698   1HB   LEU  86           HB2      LEU  86  -0.133  -2.200  -8.979
  699   2HB   LEU  86           HB1      LEU  86  -1.414  -3.366  -8.651
  700    HG   LEU  86           HG       LEU  86  -2.274  -1.172  -8.151
  701   1HD1  LEU  86          HD13      LEU  86  -2.526  -3.196  -6.473
  702   2HD1  LEU  86          HD12      LEU  86  -1.572  -2.159  -5.412
  703   3HD1  LEU  86          HD11      LEU  86  -3.123  -1.595  -6.032
  704   1HD2  LEU  86          HD23      LEU  86   0.390  -0.628  -7.483
  705   2HD2  LEU  86          HD22      LEU  86  -0.968   0.491  -7.365
  706   3HD2  LEU  86          HD21      LEU  86  -0.493  -0.470  -5.965
  707    H    VAL  87           HN       VAL  87  -0.636  -5.450  -6.040
  708    HA   VAL  87           HA       VAL  87   0.500  -7.270  -8.132
  709    HB   VAL  87           HB       VAL  87   1.308  -8.638  -6.487
  710   1HG1  VAL  87          HG13      VAL  87   0.497  -6.300  -4.729
  711   2HG1  VAL  87          HG12      VAL  87   1.629  -7.566  -4.259
  712   3HG1  VAL  87          HG11      VAL  87   2.024  -6.483  -5.590
  713   1HG2  VAL  87          HG21      VAL  87  -1.394  -8.231  -5.199
  714   2HG2  VAL  87          HG23      VAL  87  -0.727  -9.699  -5.912
  715   3HG2  VAL  87          HG22      VAL  87  -0.108  -9.108  -4.370
  716    H    GLU  88           HN       GLU  88  -1.013  -9.520  -7.897
  717    HA   GLU  88           HA       GLU  88  -3.827  -8.731  -7.491
  718   1HB   GLU  88           HB2      GLU  88  -2.826  -9.470 -10.250
  719   2HB   GLU  88           HB1      GLU  88  -4.513  -9.210  -9.807
  720   1HG   GLU  88           HG2      GLU  88  -3.898  -6.886  -9.070
  721   2HG   GLU  88           HG1      GLU  88  -2.277  -7.162  -9.707
  722    H    ARG  89           HN       ARG  89  -1.587 -11.113  -7.151
  723    HA   ARG  89           HA       ARG  89  -3.728 -13.115  -6.930
  724   1HB   ARG  89           HB2      ARG  89  -2.826 -14.727  -8.419
  725   2HB   ARG  89           HB1      ARG  89  -2.824 -13.211  -9.319
  726   1HG   ARG  89           HG2      ARG  89  -0.626 -13.509  -9.671
  727   2HG   ARG  89           HG1      ARG  89  -0.370 -13.271  -7.942
  728   1HD   ARG  89           HD2      ARG  89   0.502 -15.388  -8.080
  729   2HD   ARG  89           HD1      ARG  89  -1.192 -15.843  -7.922
  730    HE   ARG  89           HE       ARG  89  -0.808 -15.508 -10.661
  731   1HH1  ARG  89          HH21      ARG  89  -1.300 -18.121  -9.072
  732   2HH1  ARG  89          HH22      ARG  89   0.001 -19.094  -9.670
  733   1HH2  ARG  89          HH11      ARG  89   1.730 -16.411 -11.028
  734   2HH2  ARG  89          HH12      ARG  89   1.720 -18.125 -10.779
  735    H    TRP  90           HN       TRP  90  -2.756 -12.357  -4.711
  736    HA   TRP  90           HA       TRP  90  -0.203 -13.525  -3.973
  737   1HB   TRP  90           HB2      TRP  90  -0.804 -12.914  -1.695
  738   2HB   TRP  90           HB1      TRP  90  -1.216 -11.579  -2.775
  739    HD1  TRP  90           HD1      TRP  90  -2.901 -14.638  -1.126
  740    HE1  TRP  90           HE1      TRP  90  -5.388 -14.077  -0.654
  741    HE3  TRP  90           HE3      TRP  90  -3.143  -9.977  -3.231
  742    HZ2  TRP  90           HZ2      TRP  90  -7.200 -11.928  -1.124
  743    HZ3  TRP  90           HZ3      TRP  90  -5.278  -8.704  -3.197
  744    HH2  TRP  90           HH2      TRP  90  -7.297  -9.674  -2.148
  745    H    GLU  91           HN       GLU  91   0.047 -15.273  -2.393
  746    HA   GLU  91           HA       GLU  91  -1.705 -17.538  -3.034
  747   1HB   GLU  91           HB2      GLU  91   0.382 -18.419  -2.696
  748   2HB   GLU  91           HB1      GLU  91   0.860 -17.105  -1.632
  749   1HG   GLU  91           HG2      GLU  91  -0.035 -18.147   0.268
  750   2HG   GLU  91           HG1      GLU  91  -1.123 -19.159  -0.683
  751    H    GLY  92           HN       GLY  92  -3.283 -18.414  -1.754
  752   1HA   GLY  92           HA2      GLY  92  -5.100 -18.161  -0.239
  753   2HA   GLY  92           HA1      GLY  92  -3.794 -18.571   0.865
  754    H    GLU  93           HN       GLU  93  -2.654 -16.765   1.900
  755    HA   GLU  93           HA       GLU  93  -4.528 -14.577   2.517
  756   1HB   GLU  93           HB2      GLU  93  -2.540 -13.966   4.132
  757   2HB   GLU  93           HB1      GLU  93  -3.589 -15.333   4.506
  758   1HG   GLU  93           HG2      GLU  93  -1.275 -15.954   2.771
  759   2HG   GLU  93           HG1      GLU  93  -0.875 -15.496   4.423
  760    HA   PRO  94           HA       PRO  94  -2.617 -11.468   0.113
  761   1HB   PRO  94           HB2      PRO  94  -2.821  -9.355   1.892
  762   2HB   PRO  94           HB1      PRO  94  -4.140  -9.927   0.865
  763   1HG   PRO  94           HG2      PRO  94  -3.720 -10.316   3.784
  764   2HG   PRO  94           HG1      PRO  94  -5.236 -10.338   2.858
  765   1HD   PRO  94           HD2      PRO  94  -3.891 -12.594   3.845
  766   2HD   PRO  94           HD1      PRO  94  -5.128 -12.611   2.569
  767    H    TRP  95           HN       TRP  95  -1.194  -9.204   1.139
  768    HA   TRP  95           HA       TRP  95   0.823  -9.852   3.018
  769   1HB   TRP  95           HB2      TRP  95   2.658 -10.537   1.682
  770   2HB   TRP  95           HB1      TRP  95   1.302 -11.510   1.129
  771    HD1  TRP  95           HD1      TRP  95  -0.132  -9.335  -0.675
  772    HE1  TRP  95           HE1      TRP  95   0.937  -8.567  -2.904
  773    HE3  TRP  95           HE3      TRP  95   4.659 -10.833   0.159
  774    HZ2  TRP  95           HZ2      TRP  95   3.526  -8.623  -4.142
  775    HZ3  TRP  95           HZ3      TRP  95   6.411 -10.483  -1.561
  776    HH2  TRP  95           HH2      TRP  95   5.848  -9.382  -3.712
  777    H    GLY  96           HN       GLY  96   1.410  -7.805   3.682
  778   1HA   GLY  96           HA2      GLY  96   2.790  -5.881   2.460
  779   2HA   GLY  96           HA1      GLY  96   1.244  -5.636   1.660
  780    H    LYS  97           HN       LYS  97  -0.558  -5.924   3.740
  781    HA   LYS  97           HA       LYS  97  -0.751  -3.450   4.887
  782   1HB   LYS  97           HB2      LYS  97  -1.812  -4.654   6.948
  783   2HB   LYS  97           HB1      LYS  97  -2.583  -4.785   5.371
  784   1HG   LYS  97           HG2      LYS  97  -2.554  -7.003   6.100
  785   2HG   LYS  97           HG1      LYS  97  -1.107  -6.924   5.101
  786   1HD   LYS  97           HD2      LYS  97   0.204  -7.393   6.854
  787   2HD   LYS  97           HD1      LYS  97  -0.527  -6.099   7.806
  788   1HE   LYS  97           HE2      LYS  97  -2.417  -7.577   8.373
  789   2HE   LYS  97           HE1      LYS  97  -1.681  -8.875   7.434
  790   1HZ   LYS  97           HZ2      LYS  97   0.314  -8.038   9.094
  791   2HZ   LYS  97           HZ1      LYS  97  -1.071  -7.977  10.077
  792   3HZ   LYS  97           HZ3      LYS  97  -0.644  -9.425   9.305
  793    H    GLU  98           HN       GLU  98   0.571  -2.253   6.003
  794    HA   GLU  98           HA       GLU  98   2.843  -3.349   7.444
  795   1HB   GLU  98           HB2      GLU  98   1.785  -0.739   6.623
  796   2HB   GLU  98           HB1      GLU  98   2.538  -0.692   8.212
  797   1HG   GLU  98           HG2      GLU  98   3.860  -1.986   5.827
  798   2HG   GLU  98           HG1      GLU  98   4.097  -0.287   6.238
  799    H    GLY  99           HN       GLY  99   2.306  -1.309   9.754
  800   1HA   GLY  99           HA2      GLY  99   1.233  -3.107  11.631
  801   2HA   GLY  99           HA1      GLY  99   1.211  -1.353  11.834
  802    H    GLN 100           HN       GLN 100  -0.342  -1.300   9.150
  803    HA   GLN 100           HA       GLN 100  -2.955  -1.042  10.259
  804   1HB   GLN 100           HB2      GLN 100  -3.546  -0.266   8.173
  805   2HB   GLN 100           HB1      GLN 100  -1.799  -0.131   8.025
  806   1HG   GLN 100           HG2      GLN 100  -1.674  -2.239   6.835
  807   2HG   GLN 100           HG1      GLN 100  -3.388  -2.550   7.117
  808   1HE2  GLN 100          HE22      GLN 100  -2.721   0.697   4.697
  809   2HE2  GLN 100          HE21      GLN 100  -1.896   0.571   6.175
  810    HA   PRO 101           HA       PRO 101  -4.781  -5.020  10.045
  811   1HB   PRO 101           HB2      PRO 101  -7.158  -4.225   8.644
  812   2HB   PRO 101           HB1      PRO 101  -6.961  -4.436  10.384
  813   1HG   PRO 101           HG2      PRO 101  -7.303  -1.973   8.972
  814   2HG   PRO 101           HG1      PRO 101  -6.981  -2.174  10.698
  815   1HD   PRO 101           HD2      PRO 101  -5.162  -1.263   8.604
  816   2HD   PRO 101           HD1      PRO 101  -4.914  -1.270  10.359
  817    H    GLY 102           HN       GLY 102  -5.788  -3.318   7.071
  818   1HA   GLY 102           HA2      GLY 102  -5.418  -3.887   4.810
  819   2HA   GLY 102           HA1      GLY 102  -4.323  -5.160   5.353
  820    H    GLU 103           HN       GLU 103  -7.164  -4.723   3.796
  821    HA   GLU 103           HA       GLU 103  -7.949  -7.523   4.277
  822   1HB   GLU 103           HB2      GLU 103 -10.341  -6.822   4.778
  823   2HB   GLU 103           HB1      GLU 103  -9.178  -6.517   6.069
  824   1HG   GLU 103           HG2      GLU 103  -8.902  -4.185   5.015
  825   2HG   GLU 103           HG1      GLU 103 -10.401  -4.532   4.148
  826    H    TRP 104           HN       TRP 104  -8.798  -8.402   2.398
  827    HA   TRP 104           HA       TRP 104  -8.708  -7.078  -0.065
  828   1HB   TRP 104           HB2      TRP 104 -10.942  -9.046   0.403
  829   2HB   TRP 104           HB1      TRP 104  -9.885  -8.880  -0.999
  830    HD1  TRP 104           HD1      TRP 104  -7.081  -9.166  -0.012
  831    HE1  TRP 104           HE1      TRP 104  -6.180 -11.272   1.215
  832    HE3  TRP 104           HE3      TRP 104 -11.499 -11.115   1.653
  833    HZ2  TRP 104           HZ2      TRP 104  -7.251 -13.470   2.702
  834    HZ3  TRP 104           HZ3      TRP 104 -11.529 -13.213   2.971
  835    HH2  TRP 104           HH2      TRP 104  -9.413 -14.391   3.497
  836    H    MET 105           HN       MET 105 -10.013  -5.564  -1.042
  837    HA   MET 105           HA       MET 105 -12.477  -4.817   0.475
  838   1HB   MET 105           HB2      MET 105 -10.655  -3.124   0.583
  839   2HB   MET 105           HB1      MET 105 -10.658  -3.032  -1.182
  840   1HG   MET 105           HG2      MET 105 -11.988  -1.240   0.124
  841   2HG   MET 105           HG1      MET 105 -12.764  -2.008  -1.257
  842   1HE   MET 105           HE3      MET 105 -14.744  -1.249  -0.790
  843   2HE   MET 105           HE2      MET 105 -15.466  -2.856  -0.843
  844   3HE   MET 105           HE1      MET 105 -15.902  -1.745   0.452
  845    H    SER 106           HN       SER 106 -14.245  -5.430  -0.662
  846    HA   SER 106           HA       SER 106 -14.100  -5.806  -3.561
  847   1HB   SER 106           HB2      SER 106 -15.530  -7.160  -1.843
  848   2HB   SER 106           HB1      SER 106 -16.653  -5.807  -1.952
  849    HG   SER 106           HG       SER 106 -16.181  -6.241  -4.383
  850    H    LEU 107           HN       LEU 107 -13.410  -3.357  -3.428
  851    HA   LEU 107           HA       LEU 107 -15.541  -1.404  -3.212
  852   1HB   LEU 107           HB2      LEU 107 -13.248  -0.781  -2.683
  853   2HB   LEU 107           HB1      LEU 107 -12.702  -1.290  -4.274
  854    HG   LEU 107           HG       LEU 107 -14.790   0.864  -3.960
  855   1HD1  LEU 107          HD12      LEU 107 -11.830   0.968  -3.540
  856   2HD1  LEU 107          HD11      LEU 107 -12.574   2.299  -4.428
  857   3HD1  LEU 107          HD13      LEU 107 -13.102   1.929  -2.786
  858   1HD2  LEU 107          HD22      LEU 107 -12.909  -0.108  -6.114
  859   2HD2  LEU 107          HD21      LEU 107 -14.644   0.180  -6.215
  860   3HD2  LEU 107          HD23      LEU 107 -13.538   1.539  -6.154
  861    H    VAL 108           HN       VAL 108 -13.621  -2.775  -5.876
  862    HA   VAL 108           HA       VAL 108 -14.383  -3.319  -8.061
  863    HB   VAL 108           HB       VAL 108 -16.754  -1.500  -7.555
  864   1HG1  VAL 108          HG12      VAL 108 -15.942  -2.171  -9.913
  865   2HG1  VAL 108          HG11      VAL 108 -16.530  -3.780  -9.496
  866   3HG1  VAL 108          HG13      VAL 108 -17.644  -2.413  -9.521
  867   1HG2  VAL 108          HG21      VAL 108 -16.169  -4.036  -6.383
  868   2HG2  VAL 108          HG23      VAL 108 -17.683  -3.136  -6.302
  869   3HG2  VAL 108          HG22      VAL 108 -17.417  -4.297  -7.602
  870    H    GLY 109           HN       GLY 109 -12.735  -2.283  -9.076
  871   1HA   GLY 109           HA2      GLY 109 -11.521  -0.520 -10.052
  872   2HA   GLY 109           HA1      GLY 109 -13.112   0.015 -10.600
  873    H    LEU 110           HN       LEU 110 -10.759   0.276  -8.006
  874    HA   LEU 110           HA       LEU 110 -11.852   1.906  -6.115
  875   1HB   LEU 110           HB2      LEU 110  -9.210   1.577  -7.226
  876   2HB   LEU 110           HB1      LEU 110  -9.497   3.262  -6.756
  877    HG   LEU 110           HG       LEU 110 -10.510   1.315  -4.812
  878   1HD1  LEU 110          HD11      LEU 110  -8.199   0.480  -5.918
  879   2HD1  LEU 110          HD13      LEU 110  -7.553   1.615  -4.731
  880   3HD1  LEU 110          HD12      LEU 110  -8.565   0.270  -4.208
  881   1HD2  LEU 110          HD23      LEU 110 -10.138   3.907  -4.712
  882   2HD2  LEU 110          HD22      LEU 110  -9.765   2.931  -3.290
  883   3HD2  LEU 110          HD21      LEU 110  -8.465   3.474  -4.351
  884    H    ASN 111           HN       ASN 111 -11.902   4.290  -5.839
  885    HA   ASN 111           HA       ASN 111 -12.278   5.774  -8.402
  886   1HB   ASN 111           HB2      ASN 111 -14.378   4.779  -7.028
  887   2HB   ASN 111           HB1      ASN 111 -14.208   6.337  -6.207
  888   1HD2  ASN 111          HD22      ASN 111 -16.337   6.629  -9.369
  889   2HD2  ASN 111          HD21      ASN 111 -16.391   5.524  -8.082
  890    H    ALA 112           HN       ALA 112 -10.975   5.733  -5.262
  891    HA   ALA 112           HA       ALA 112  -9.635   7.382  -4.219
  892   1HB   ALA 112           HB3      ALA 112  -9.448   8.405  -6.573
  893   2HB   ALA 112           HB2      ALA 112 -10.788   9.446  -6.102
  894   3HB   ALA 112           HB1      ALA 112  -9.268   9.505  -5.212
  895    H    ASP 113           HN       ASP 113 -12.990   7.537  -4.868
  896    HA   ASP 113           HA       ASP 113 -13.789   9.661  -3.131
  897   1HB   ASP 113           HB2      ASP 113 -15.008   7.796  -4.837
  898   2HB   ASP 113           HB1      ASP 113 -15.639   7.413  -3.245
  899    H    ASP 114           HN       ASP 114 -12.632   6.460  -2.653
  900    HA   ASP 114           HA       ASP 114 -13.503   6.467   0.192
  901   1HB   ASP 114           HB2      ASP 114 -12.828   4.369  -1.821
  902   2HB   ASP 114           HB1      ASP 114 -12.440   4.028  -0.126
  903    H    PHE 115           HN       PHE 115 -10.799   6.989  -1.850
  904    HA   PHE 115           HA       PHE 115  -8.825   6.358   0.263
  905   1HB   PHE 115           HB2      PHE 115  -8.724   6.990  -2.634
  906   2HB   PHE 115           HB1      PHE 115  -7.388   7.619  -1.672
  907    HD1  PHE 115           HD2      PHE 115  -9.297   4.496  -2.412
  908    HD2  PHE 115           HD1      PHE 115  -5.637   6.216  -0.972
  909    HE1  PHE 115           HE2      PHE 115  -8.251   2.245  -2.386
  910    HE2  PHE 115           HE1      PHE 115  -4.590   3.973  -0.949
  911    HZ   PHE 115           HZ       PHE 115  -5.896   1.984  -1.652
  912    HA   PRO 116           HA       PRO 116  -9.047  10.433   1.980
  913   1HB   PRO 116           HB2      PRO 116  -6.208  10.219   2.620
  914   2HB   PRO 116           HB1      PRO 116  -7.587  10.240   3.722
  915   1HG   PRO 116           HG2      PRO 116  -5.982   7.987   3.031
  916   2HG   PRO 116           HG1      PRO 116  -7.470   7.976   3.984
  917   1HD   PRO 116           HD2      PRO 116  -7.081   6.978   1.302
  918   2HD   PRO 116           HD1      PRO 116  -8.563   6.945   2.276
  919    HA   PRO 117           HA       PRO 117  -7.756  12.623  -1.648
  920   1HB   PRO 117           HB2      PRO 117  -7.656  15.077  -0.091
  921   2HB   PRO 117           HB1      PRO 117  -8.807  14.599  -1.346
  922   1HG   PRO 117           HG2      PRO 117  -9.286  14.701   1.470
  923   2HG   PRO 117           HG1      PRO 117 -10.376  14.074   0.227
  924   1HD   PRO 117           HD2      PRO 117  -8.904  12.578   2.213
  925   2HD   PRO 117           HD1      PRO 117 -10.025  11.956   0.984
  926    H    ALA 118           HN       ALA 118  -5.963  12.724   1.363
  927    HA   ALA 118           HA       ALA 118  -3.774  14.349   0.616
  928   1HB   ALA 118           HB2      ALA 118  -4.208  12.131   2.524
  929   2HB   ALA 118           HB1      ALA 118  -2.533  12.376   2.028
  930   3HB   ALA 118           HB3      ALA 118  -3.435  13.696   2.774
  931    H    ASN 119           HN       ASN 119  -4.432  10.951  -0.117
  932    HA   ASN 119           HA       ASN 119  -1.932  10.771  -1.713
  933   1HB   ASN 119           HB2      ASN 119  -2.526   8.372  -1.871
  934   2HB   ASN 119           HB1      ASN 119  -2.526   8.922  -0.200
  935   1HD2  ASN 119          HD22      ASN 119  -5.801   7.780   0.240
  936   2HD2  ASN 119          HD21      ASN 119  -4.234   7.941   0.867
  937    H    GLU 120           HN       GLU 120  -3.801  12.549  -2.783
  938    HA   GLU 120           HA       GLU 120  -5.575  11.320  -4.678
  939   1HB   GLU 120           HB2      GLU 120  -4.599  14.034  -4.071
  940   2HB   GLU 120           HB1      GLU 120  -5.179  13.775  -5.717
  941   1HG   GLU 120           HG2      GLU 120  -7.128  12.497  -4.321
  942   2HG   GLU 120           HG1      GLU 120  -6.684  13.752  -3.161
  943    HA   PRO 121           HA       PRO 121  -1.911  12.467  -7.736
  944   1HB   PRO 121           HB2      PRO 121   0.358  11.276  -6.367
  945   2HB   PRO 121           HB1      PRO 121   0.207  12.894  -7.061
  946   1HG   PRO 121           HG2      PRO 121   0.230  12.247  -4.304
  947   2HG   PRO 121           HG1      PRO 121  -0.206  13.811  -5.008
  948   1HD   PRO 121           HD2      PRO 121  -1.933  11.830  -3.777
  949   2HD   PRO 121           HD1      PRO 121  -2.346  13.473  -4.299
  950    H    VAL 122           HN       VAL 122  -1.479   9.550  -5.683
  951    HA   VAL 122           HA       VAL 122  -1.216   7.972  -8.168
  952    HB   VAL 122           HB       VAL 122  -0.599   7.567  -5.300
  953   1HG1  VAL 122          HG11      VAL 122  -1.657   5.420  -7.107
  954   2HG1  VAL 122          HG13      VAL 122  -0.359   5.022  -5.982
  955   3HG1  VAL 122          HG12      VAL 122  -1.898   5.632  -5.373
  956   1HG2  VAL 122          HG22      VAL 122   1.003   8.099  -7.243
  957   2HG2  VAL 122          HG21      VAL 122   1.462   6.771  -6.176
  958   3HG2  VAL 122          HG23      VAL 122   0.747   6.431  -7.752
  959    H    ILE 123           HN       ILE 123  -3.484   8.456  -5.489
  960    HA   ILE 123           HA       ILE 123  -5.203   6.256  -6.208
  961    HB   ILE 123           HB       ILE 123  -5.530   8.748  -4.563
  962   1HG1  ILE 123          HG12      ILE 123  -6.071   7.066  -2.833
  963   2HG1  ILE 123          HG11      ILE 123  -5.939   5.788  -4.032
  964   1HG2  ILE 123          HG22      ILE 123  -7.773   6.889  -5.408
  965   2HG2  ILE 123          HG21      ILE 123  -7.893   8.092  -4.124
  966   3HG2  ILE 123          HG23      ILE 123  -7.638   8.605  -5.793
  967   1HD1  ILE 123          HD13      ILE 123  -3.567   6.484  -4.437
  968   2HD1  ILE 123          HD12      ILE 123  -3.721   7.632  -3.109
  969   3HD1  ILE 123          HD11      ILE 123  -3.854   5.905  -2.797
  970    H    ALA 124           HN       ALA 124  -4.575   9.356  -7.520
  971    HA   ALA 124           HA       ALA 124  -6.997   9.918  -8.893
  972   1HB   ALA 124           HB3      ALA 124  -4.198  10.751  -9.015
  973   2HB   ALA 124           HB2      ALA 124  -4.949  10.701 -10.610
  974   3HB   ALA 124           HB1      ALA 124  -5.656  11.692  -9.334
  975    H    LYS 125           HN       LYS 125  -4.401   7.717  -9.404
  976    HA   LYS 125           HA       LYS 125  -5.178   6.956 -12.106
  977   1HB   LYS 125           HB2      LYS 125  -3.215   5.814 -10.110
  978   2HB   LYS 125           HB1      LYS 125  -3.435   5.163 -11.736
  979   1HG   LYS 125           HG2      LYS 125  -2.805   8.069 -11.163
  980   2HG   LYS 125           HG1      LYS 125  -1.578   6.860 -11.557
  981   1HD   LYS 125           HD2      LYS 125  -3.874   6.910 -13.408
  982   2HD   LYS 125           HD1      LYS 125  -2.894   8.375 -13.422
  983   1HE   LYS 125           HE2      LYS 125  -1.066   6.228 -13.355
  984   2HE   LYS 125           HE1      LYS 125  -2.295   5.780 -14.538
  985   1HZ   LYS 125           HZ2      LYS 125  -1.385   8.531 -14.649
  986   2HZ   LYS 125           HZ1      LYS 125  -0.229   7.366 -15.086
  987   3HZ   LYS 125           HZ3      LYS 125  -1.710   7.440 -15.911
  988    H    LEU 126           HN       LEU 126  -5.654   5.561  -8.836
  989    HA   LEU 126           HA       LEU 126  -6.823   3.107  -9.819
  990   1HB   LEU 126           HB2      LEU 126  -7.320   4.551  -7.194
  991   2HB   LEU 126           HB1      LEU 126  -7.842   2.909  -7.560
  992    HG   LEU 126           HG       LEU 126  -5.821   2.088  -6.987
  993   1HD1  LEU 126          HD11      LEU 126  -5.051   2.853  -9.313
  994   2HD1  LEU 126          HD13      LEU 126  -4.356   4.256  -8.503
  995   3HD1  LEU 126          HD12      LEU 126  -3.786   2.636  -8.105
  996   1HD2  LEU 126          HD21      LEU 126  -6.062   4.601  -5.770
  997   2HD2  LEU 126          HD23      LEU 126  -5.008   3.280  -5.261
  998   3HD2  LEU 126          HD22      LEU 126  -4.397   4.528  -6.347
  999    H    LYS 127           HN       LYS 127  -7.899   6.347  -9.441
 1000    HA   LYS 127           HA       LYS 127 -10.719   6.043  -9.408
 1001   1HB   LYS 127           HB2      LYS 127  -9.182   8.058 -11.071
 1002   2HB   LYS 127           HB1      LYS 127 -10.778   8.268 -10.327
 1003   1HG   LYS 127           HG2      LYS 127  -9.256   7.595  -8.157
 1004   2HG   LYS 127           HG1      LYS 127  -8.102   8.512  -9.122
 1005   1HD   LYS 127           HD2      LYS 127 -10.848   9.448  -8.240
 1006   2HD   LYS 127           HD1      LYS 127  -9.296  10.053  -7.657
 1007   1HE   LYS 127           HE2      LYS 127  -9.773  11.649  -9.269
 1008   2HE   LYS 127           HE1      LYS 127  -8.875  10.484 -10.243
 1009   1HZ   LYS 127           HZ1      LYS 127 -11.706   9.949 -10.004
 1010   2HZ   LYS 127           HZ3      LYS 127 -11.329  11.378 -10.835
 1011   3HZ   LYS 127           HZ2      LYS 127 -10.698   9.896 -11.371
 1012    H    ARG 128           HN       ARG 128  -8.312   5.824 -11.913
 1013    HA   ARG 128           HA       ARG 128 -10.238   5.360 -14.072
 1014   1HB   ARG 128           HB2      ARG 128  -7.380   4.677 -14.447
 1015   2HB   ARG 128           HB1      ARG 128  -8.442   5.637 -15.469
 1016   1HG   ARG 128           HG2      ARG 128  -8.281   7.447 -13.654
 1017   2HG   ARG 128           HG1      ARG 128  -6.940   6.506 -12.994
 1018   1HD   ARG 128           HD2      ARG 128  -5.698   7.777 -14.430
 1019   2HD   ARG 128           HD1      ARG 128  -6.227   6.579 -15.611
 1020    HE   ARG 128           HE       ARG 128  -8.246   8.475 -15.641
 1021   1HH1  ARG 128          HH11      ARG 128  -4.866   8.260 -16.253
 1022   2HH1  ARG 128          HH12      ARG 128  -4.806   9.716 -17.189
 1023   1HH2  ARG 128          HH21      ARG 128  -8.155  10.470 -16.734
 1024   2HH2  ARG 128          HH22      ARG 128  -6.663  10.963 -17.461
 1025    H    LEU 129           HN       LEU 129  -8.350   3.543 -11.790
 1026    HA   LEU 129           HA       LEU 129  -7.877   1.072 -12.817
 1027   1HB   LEU 129           HB2      LEU 129  -8.306   2.065 -10.248
 1028   2HB   LEU 129           HB1      LEU 129  -9.457   0.741 -10.393
 1029    HG   LEU 129           HG       LEU 129  -7.624  -0.734 -11.156
 1030   1HD1  LEU 129          HD12      LEU 129  -6.231   1.861 -11.186
 1031   2HD1  LEU 129          HD11      LEU 129  -5.314   0.584 -10.388
 1032   3HD1  LEU 129          HD13      LEU 129  -5.847   0.375 -12.056
 1033   1HD2  LEU 129          HD23      LEU 129  -8.261  -0.307  -8.688
 1034   2HD2  LEU 129          HD22      LEU 129  -6.705  -1.078  -8.996
 1035   3HD2  LEU 129          HD21      LEU 129  -6.777   0.640  -8.603
 1036   3HOG  APC 130           H5T      ATP 130   4.002   0.807  10.928
 1037   1H3A  APC 130           H3P      ATP 130   7.333   1.963   7.608
 1038   2H3A  APC 130          H3P'      ATP 130   6.561   2.857   8.938
 1039   1H5*  APC 130           H5'      ATP 130   9.447   5.825   6.559
 1040   2H5*  APC 130          H5''      ATP 130  10.008   5.491   8.201
 1041    H4*  APC 130           H4'      ATP 130   8.590   7.069   8.905
 1042    H3*  APC 130           H3'      ATP 130   6.828   4.821   8.176
 1043   *HO3  APC 130          H3''      ATP 130   7.627   6.233  10.458
 1044    H2*  APC 130          H2''      ATP 130   4.999   5.991   7.690
 1045   *HO2  APC 130           H2'      ATP 130   4.146   7.315   9.133
 1046    H1*  APC 130           H1'      ATP 130   6.105   8.667   7.699
 1047    H8   APC 130           H8       ATP 130   5.892   5.613   5.285
 1048    H2   APC 130           H2       ATP 130   3.557  11.579   5.421
 1049   1HN6  APC 130           H61      ATP 130   2.805   7.534   2.119
 1050   2HN6  APC 130           H62      ATP 130   2.071   9.115   1.968
 1051   1HN1  CON 131          H1N1      ATP 130   9.853   3.740  12.923
 1052   2HN1  CON 131          H2N1      ATP 130  10.694   2.582  12.292
 1053   3HN1  CON 131          H3N1      ATP 130  10.514   2.650  13.844
 1054   1HN2  CON 131          H1N2      ATP 130   8.955   1.708  15.364
 1055   2HN2  CON 131          H2N2      ATP 130   7.622   2.499  15.162
 1056   3HN2  CON 131          H3N2      ATP 130   7.609   0.937  15.225
 1057   1HN3  CON 131          H1N3      ATP 130   6.246   3.094  12.603
 1058   2HN3  CON 131          H2N3      ATP 130   7.398   3.800  11.819
 1059   3HN3  CON 131          H3N3      ATP 130   7.313   3.934  13.373
 1060   1HN4  CON 131          H1N4      ATP 130   9.247  -0.773  12.401
 1061   2HN4  CON 131          H2N4      ATP 130  10.448   0.077  12.930
 1062   3HN4  CON 131          H3N4      ATP 130   9.390  -0.492  13.929
 1063   1HO1  MO2 132          H1O1      MG  131   9.435  -1.615   6.715
 1064   2HO1  MO2 132          H2O1      MG  131   9.257  -2.090   8.140
 1065   1HO2  MO2 132          H1O2      MG  131   8.031  -4.967   9.079
 1066   2HO2  MO2 132          H2O2      MG  131   6.677  -4.300   9.158
   
  No H/Q in entry =        1066
  Start of MODEL    4
    1   1H    MET   1           HT2      MET   1  16.151  17.776   4.965
    2   2H    MET   1           HT1      MET   1  14.470  17.539   4.895
    3   3H    MET   1           HT3      MET   1  15.100  18.904   5.680
    4    HA   MET   1           HA       MET   1  16.059  17.567   7.404
    5   1HB   MET   1           HB2      MET   1  13.353  17.984   7.003
    6   2HB   MET   1           HB1      MET   1  13.434  16.251   7.316
    7   1HG   MET   1           HG2      MET   1  15.185  17.540   9.162
    8   2HG   MET   1           HG1      MET   1  13.646  18.400   9.196
    9   1HE   MET   1           HE1      MET   1  11.903  17.828  10.672
   10   2HE   MET   1           HE3      MET   1  12.058  16.512  11.844
   11   3HE   MET   1           HE2      MET   1  13.338  17.714  11.688
   12    H    LYS   2           HN       LYS   2  13.868  15.323   5.699
   13    HA   LYS   2           HA       LYS   2  16.031  13.417   5.218
   14   1HB   LYS   2           HB2      LYS   2  14.689  11.644   6.605
   15   2HB   LYS   2           HB1      LYS   2  15.789  12.731   7.445
   16   1HG   LYS   2           HG2      LYS   2  13.694  12.691   8.666
   17   2HG   LYS   2           HG1      LYS   2  13.854  14.263   7.889
   18   1HD   LYS   2           HD2      LYS   2  11.570  13.323   7.621
   19   2HD   LYS   2           HD1      LYS   2  12.374  13.550   6.070
   20   1HE   LYS   2           HE2      LYS   2  11.265  11.364   6.132
   21   2HE   LYS   2           HE1      LYS   2  13.012  11.148   6.071
   22   1HZ   LYS   2           HZ3      LYS   2  12.443  11.319   8.734
   23   2HZ   LYS   2           HZ2      LYS   2  11.159  10.400   8.112
   24   3HZ   LYS   2           HZ1      LYS   2  12.762   9.894   7.872
   25    H    LYS   3           HN       LYS   3  14.846  11.214   4.504
   26    HA   LYS   3           HA       LYS   3  12.221  11.682   3.276
   27   1HB   LYS   3           HB2      LYS   3  13.677  12.709   1.606
   28   2HB   LYS   3           HB1      LYS   3  14.703  11.273   1.582
   29   1HG   LYS   3           HG2      LYS   3  12.579   9.971   0.945
   30   2HG   LYS   3           HG1      LYS   3  11.852  11.545   0.619
   31   1HD   LYS   3           HD2      LYS   3  12.806  11.488  -1.420
   32   2HD   LYS   3           HD1      LYS   3  14.378  11.608  -0.628
   33   1HE   LYS   3           HE2      LYS   3  14.161   9.044  -0.288
   34   2HE   LYS   3           HE1      LYS   3  12.912   9.135  -1.530
   35   1HZ   LYS   3           HZ3      LYS   3  15.600  10.310  -1.914
   36   2HZ   LYS   3           HZ2      LYS   3  15.260   8.692  -2.307
   37   3HZ   LYS   3           HZ1      LYS   3  14.432   9.953  -3.091
   38    H    LEU   4           HN       LEU   4  11.202   9.716   2.752
   39    HA   LEU   4           HA       LEU   4  12.826   7.241   3.003
   40   1HB   LEU   4           HB2      LEU   4  11.501   6.290   4.693
   41   2HB   LEU   4           HB1      LEU   4  11.652   7.961   5.225
   42    HG   LEU   4           HG       LEU   4   9.401   7.927   3.529
   43   1HD1  LEU   4          HD12      LEU   4   9.390   5.592   5.448
   44   2HD1  LEU   4          HD11      LEU   4   8.011   6.164   4.512
   45   3HD1  LEU   4          HD13      LEU   4   9.408   5.477   3.692
   46   1HD2  LEU   4          HD21      LEU   4   9.803   7.987   6.509
   47   2HD2  LEU   4          HD23      LEU   4   9.532   9.348   5.420
   48   3HD2  LEU   4          HD22      LEU   4   8.220   8.217   5.762
   49    H    GLN   5           HN       GLN   5  11.218   5.302   2.534
   50    HA   GLN   5           HA       GLN   5   9.194   6.087   0.522
   51   1HB   GLN   5           HB2      GLN   5  11.320   4.003  -0.048
   52   2HB   GLN   5           HB1      GLN   5  10.071   4.585  -1.151
   53   1HG   GLN   5           HG2      GLN   5  11.749   5.983  -1.856
   54   2HG   GLN   5           HG1      GLN   5  11.168   6.950  -0.495
   55   1HE2  GLN   5          HE22      GLN   5  14.763   4.991  -0.169
   56   2HE2  GLN   5          HE21      GLN   5  13.671   4.536  -1.386
   57    H    ILE   6           HN       ILE   6   8.041   3.943  -0.204
   58    HA   ILE   6           HA       ILE   6   7.966   2.034   2.068
   59    HB   ILE   6           HB       ILE   6   5.781   3.850   1.114
   60   1HG1  ILE   6          HG12      ILE   6   7.306   3.332   3.533
   61   2HG1  ILE   6          HG11      ILE   6   6.274   4.702   3.144
   62   1HG2  ILE   6          HG23      ILE   6   4.960   1.492   0.828
   63   2HG2  ILE   6          HG22      ILE   6   5.298   1.211   2.535
   64   3HG2  ILE   6          HG21      ILE   6   4.075   2.388   2.060
   65   1HD1  ILE   6          HD12      ILE   6   5.208   2.028   4.113
   66   2HD1  ILE   6          HD11      ILE   6   5.535   3.387   5.183
   67   3HD1  ILE   6          HD13      ILE   6   4.304   3.530   3.930
   68    H    ALA   7           HN       ALA   7   7.973   0.005   1.271
   69    HA   ALA   7           HA       ALA   7   7.380  -0.438  -1.590
   70   1HB   ALA   7           HB3      ALA   7   9.050  -1.693   0.345
   71   2HB   ALA   7           HB2      ALA   7   7.825  -2.872  -0.117
   72   3HB   ALA   7           HB1      ALA   7   8.850  -2.138  -1.351
   73    H    VAL   8           HN       VAL   8   5.089   0.368  -0.675
   74    HA   VAL   8           HA       VAL   8   3.553  -1.721   0.638
   75    HB   VAL   8           HB       VAL   8   2.741   0.423   1.153
   76   1HG1  VAL   8          HG13      VAL   8   3.607   1.025  -1.574
   77   2HG1  VAL   8          HG12      VAL   8   2.072   1.785  -1.151
   78   3HG1  VAL   8          HG11      VAL   8   3.502   2.077  -0.163
   79   1HG2  VAL   8          HG23      VAL   8   1.080  -1.327  -0.220
   80   2HG2  VAL   8          HG22      VAL   8   0.545   0.079   0.701
   81   3HG2  VAL   8          HG21      VAL   8   0.801   0.211  -1.039
   82    H    GLY   9           HN       GLY   9   2.354  -0.151  -2.294
   83   1HA   GLY   9           HA2      GLY   9   1.712  -1.129  -4.330
   84   2HA   GLY   9           HA1      GLY   9   2.618  -2.575  -3.863
   85    H    ILE  10           HN       ILE  10  -0.416  -0.889  -3.575
   86    HA   ILE  10           HA       ILE  10  -1.758  -2.481  -1.706
   87    HB   ILE  10           HB       ILE  10  -3.414  -1.944  -4.090
   88   1HG1  ILE  10          HG12      ILE  10  -2.020   0.327  -2.636
   89   2HG1  ILE  10          HG11      ILE  10  -1.819  -0.085  -4.344
   90   1HG2  ILE  10          HG21      ILE  10  -3.694  -2.195  -1.307
   91   2HG2  ILE  10          HG23      ILE  10  -4.026  -0.497  -1.647
   92   3HG2  ILE  10          HG22      ILE  10  -4.957  -1.756  -2.457
   93   1HD1  ILE  10          HD13      ILE  10  -4.608   0.138  -3.896
   94   2HD1  ILE  10          HD12      ILE  10  -3.866   1.530  -3.110
   95   3HD1  ILE  10          HD11      ILE  10  -3.582   1.232  -4.824
   96    H    ILE  11           HN       ILE  11  -3.563  -4.156  -2.468
   97    HA   ILE  11           HA       ILE  11  -2.411  -5.882  -4.583
   98    HB   ILE  11           HB       ILE  11  -2.748  -7.820  -2.855
   99   1HG1  ILE  11          HG12      ILE  11  -2.585  -5.336  -1.114
  100   2HG1  ILE  11          HG11      ILE  11  -3.821  -6.598  -1.082
  101   1HG2  ILE  11          HG23      ILE  11  -0.575  -6.448  -3.757
  102   2HG2  ILE  11          HG22      ILE  11  -0.442  -6.137  -2.028
  103   3HG2  ILE  11          HG21      ILE  11  -0.461  -7.795  -2.626
  104   1HD1  ILE  11          HD11      ILE  11  -0.894  -7.048  -0.430
  105   2HD1  ILE  11          HD13      ILE  11  -2.161  -6.819   0.775
  106   3HD1  ILE  11          HD12      ILE  11  -2.194  -8.230  -0.282
  107    H    ARG  12           HN       ARG  12  -4.288  -5.506  -5.831
  108    HA   ARG  12           HA       ARG  12  -6.953  -5.972  -4.735
  109   1HB   ARG  12           HB2      ARG  12  -6.433  -6.143  -7.671
  110   2HB   ARG  12           HB1      ARG  12  -7.732  -5.316  -6.821
  111   1HG   ARG  12           HG2      ARG  12  -5.926  -3.728  -5.960
  112   2HG   ARG  12           HG1      ARG  12  -4.890  -4.404  -7.207
  113   1HD   ARG  12           HD2      ARG  12  -7.493  -2.888  -7.605
  114   2HD   ARG  12           HD1      ARG  12  -5.897  -2.472  -8.218
  115    HE   ARG  12           HE       ARG  12  -6.406  -4.981  -9.305
  116   1HH1  ARG  12          HH11      ARG  12  -8.844  -2.699  -8.928
  117   2HH1  ARG  12          HH12      ARG  12  -9.210  -2.561 -10.615
  118   1HH2  ARG  12          HH21      ARG  12  -6.508  -4.473 -11.632
  119   2HH2  ARG  12          HH22      ARG  12  -7.890  -3.562 -12.144
  120    H    ASN  13           HN       ASN  13  -8.302  -7.896  -6.007
  121    HA   ASN  13           HA       ASN  13  -6.484 -10.080  -6.683
  122   1HB   ASN  13           HB2      ASN  13  -6.249 -11.011  -4.679
  123   2HB   ASN  13           HB1      ASN  13  -7.014  -9.567  -4.012
  124   1HD2  ASN  13          HD22      ASN  13  -9.084 -13.096  -4.160
  125   2HD2  ASN  13          HD21      ASN  13  -7.578 -12.954  -4.927
  126    H    GLU  14           HN       GLU  14  -9.994  -9.552  -5.804
  127    HA   GLU  14           HA       GLU  14 -10.523 -11.961  -7.455
  128   1HB   GLU  14           HB2      GLU  14 -11.689 -11.229  -5.209
  129   2HB   GLU  14           HB1      GLU  14 -12.703 -10.265  -6.279
  130   1HG   GLU  14           HG2      GLU  14 -13.918 -12.204  -6.389
  131   2HG   GLU  14           HG1      GLU  14 -12.725 -12.616  -7.621
  132    H    ASN  15           HN       ASN  15 -10.807  -8.551  -7.641
  133    HA   ASN  15           HA       ASN  15 -11.171  -8.580 -10.517
  134   1HB   ASN  15           HB2      ASN  15 -13.556  -8.877  -9.531
  135   2HB   ASN  15           HB1      ASN  15 -13.369  -7.235  -8.915
  136   1HD2  ASN  15          HD22      ASN  15 -14.387  -5.907 -12.001
  137   2HD2  ASN  15          HD21      ASN  15 -14.419  -5.815 -10.306
  138    H    ASN  16           HN       ASN  16 -11.523  -6.933  -7.512
  139    HA   ASN  16           HA       ASN  16  -9.357  -5.096  -7.990
  140   1HB   ASN  16           HB2      ASN  16 -11.201  -3.862  -9.099
  141   2HB   ASN  16           HB1      ASN  16 -12.206  -4.079  -7.668
  142   1HD2  ASN  16          HD22      ASN  16  -9.079  -1.924  -6.381
  143   2HD2  ASN  16          HD21      ASN  16  -8.977  -3.585  -6.698
  144    H    GLU  17           HN       GLU  17 -10.049  -7.342  -6.220
  145    HA   GLU  17           HA       GLU  17 -10.957  -6.032  -3.740
  146   1HB   GLU  17           HB2      GLU  17  -9.889  -8.828  -4.090
  147   2HB   GLU  17           HB1      GLU  17 -10.798  -8.197  -2.715
  148   1HG   GLU  17           HG2      GLU  17 -12.548  -7.567  -4.620
  149   2HG   GLU  17           HG1      GLU  17 -11.764  -8.913  -5.445
  150    H    ILE  18           HN       ILE  18  -9.401  -4.535  -3.190
  151    HA   ILE  18           HA       ILE  18  -6.589  -5.316  -3.039
  152    HB   ILE  18           HB       ILE  18  -6.325  -3.036  -1.997
  153   1HG1  ILE  18          HG12      ILE  18  -9.013  -3.285  -1.469
  154   2HG1  ILE  18          HG11      ILE  18  -8.115  -1.775  -1.414
  155   1HG2  ILE  18          HG22      ILE  18  -7.418  -3.573  -4.721
  156   2HG2  ILE  18          HG21      ILE  18  -7.234  -1.891  -4.222
  157   3HG2  ILE  18          HG23      ILE  18  -5.835  -2.964  -4.241
  158   1HD1  ILE  18          HD12      ILE  18  -8.697  -1.439  -3.850
  159   2HD1  ILE  18          HD11      ILE  18  -9.760  -2.837  -3.725
  160   3HD1  ILE  18          HD13      ILE  18 -10.079  -1.400  -2.757
  161    H    PHE  19           HN       PHE  19  -5.461  -5.734  -1.163
  162    HA   PHE  19           HA       PHE  19  -7.041  -6.528   1.195
  163   1HB   PHE  19           HB2      PHE  19  -5.093  -7.875   0.401
  164   2HB   PHE  19           HB1      PHE  19  -4.038  -6.503   0.734
  165    HD1  PHE  19           HD1      PHE  19  -6.664  -8.564   2.459
  166    HD2  PHE  19           HD2      PHE  19  -2.954  -6.422   2.772
  167    HE1  PHE  19           HE1      PHE  19  -6.436  -9.298   4.818
  168    HE2  PHE  19           HE2      PHE  19  -2.728  -7.153   5.130
  169    HZ   PHE  19           HZ       PHE  19  -4.466  -8.593   6.153
  170    H    ILE  20           HN       ILE  20  -7.326  -3.808   0.714
  171    HA   ILE  20           HA       ILE  20  -5.392  -2.248   2.192
  172    HB   ILE  20           HB       ILE  20  -6.614  -1.289   0.284
  173   1HG1  ILE  20          HG12      ILE  20  -7.352   0.801   1.380
  174   2HG1  ILE  20          HG11      ILE  20  -7.364  -0.025   2.937
  175   1HG2  ILE  20          HG21      ILE  20  -8.744  -2.665   1.139
  176   2HG2  ILE  20          HG23      ILE  20  -9.105  -1.118   1.905
  177   3HG2  ILE  20          HG22      ILE  20  -8.913  -1.210   0.156
  178   1HD1  ILE  20          HD12      ILE  20  -4.892  -0.567   2.466
  179   2HD1  ILE  20          HD11      ILE  20  -4.994   0.655   1.202
  180   3HD1  ILE  20          HD13      ILE  20  -5.284   1.095   2.883
  181    H    THR  21           HN       THR  21  -5.774  -1.110   4.051
  182    HA   THR  21           HA       THR  21  -7.256  -2.412   6.157
  183    HB   THR  21           HB       THR  21  -5.406  -1.090   6.810
  184    HG1  THR  21           HG1      THR  21  -7.747   0.441   7.262
  185   1HG2  THR  21          HG21      THR  21  -6.503   0.780   4.791
  186   2HG2  THR  21          HG23      THR  21  -5.688   1.515   6.171
  187   3HG2  THR  21          HG22      THR  21  -4.827   0.365   5.148
  188    H    ARG  22           HN       ARG  22  -9.436  -2.572   5.329
  189    HA   ARG  22           HA       ARG  22 -10.808  -0.096   4.528
  190   1HB   ARG  22           HB2      ARG  22 -11.297  -2.067   3.228
  191   2HB   ARG  22           HB1      ARG  22 -11.692  -2.988   4.684
  192   1HG   ARG  22           HG2      ARG  22 -13.776  -2.287   3.669
  193   2HG   ARG  22           HG1      ARG  22 -13.543  -1.336   5.138
  194   1HD   ARG  22           HD2      ARG  22 -12.745   0.553   3.870
  195   2HD   ARG  22           HD1      ARG  22 -12.714  -0.392   2.382
  196    HE   ARG  22           HE       ARG  22 -15.358  -0.544   3.228
  197   1HH1  ARG  22          HH11      ARG  22 -13.092   2.011   2.738
  198   2HH1  ARG  22          HH12      ARG  22 -14.282   3.127   2.160
  199   1HH2  ARG  22          HH21      ARG  22 -16.908   0.882   2.403
  200   2HH2  ARG  22          HH22      ARG  22 -16.438   2.492   1.970
  201    H    ARG  23           HN       ARG  23 -11.320   1.175   6.211
  202    HA   ARG  23           HA       ARG  23 -11.652   1.435   8.674
  203   1HB   ARG  23           HB2      ARG  23 -14.319   1.609   8.555
  204   2HB   ARG  23           HB1      ARG  23 -13.272   2.798   7.782
  205   1HG   ARG  23           HG2      ARG  23 -13.735   2.030   5.663
  206   2HG   ARG  23           HG1      ARG  23 -13.968   0.366   6.202
  207   1HD   ARG  23           HD2      ARG  23 -16.016   1.674   7.495
  208   2HD   ARG  23           HD1      ARG  23 -15.931   2.546   5.959
  209    HE   ARG  23           HE       ARG  23 -15.879  -0.077   5.155
  210   1HH1  ARG  23          HH11      ARG  23 -17.316  -1.099   7.410
  211   2HH1  ARG  23          HH12      ARG  23 -18.979  -0.773   7.056
  212   1HH2  ARG  23          HH21      ARG  23 -18.274   1.594   4.623
  213   2HH2  ARG  23          HH22      ARG  23 -19.521   0.752   5.479
  214    H    ALA  24           HN       ALA  24 -10.942  -0.728   9.433
  215    HA   ALA  24           HA       ALA  24 -12.290  -3.089   9.558
  216   1HB   ALA  24           HB3      ALA  24 -10.688  -1.615  11.613
  217   2HB   ALA  24           HB2      ALA  24 -11.523  -3.090  12.101
  218   3HB   ALA  24           HB1      ALA  24 -10.333  -3.140  10.801
  219    H    ALA  25           HN       ALA  25 -12.914  -0.401  11.863
  220    HA   ALA  25           HA       ALA  25 -15.302  -1.735  12.888
  221   1HB   ALA  25           HB3      ALA  25 -13.729  -0.043  14.113
  222   2HB   ALA  25           HB2      ALA  25 -14.692   1.185  13.291
  223   3HB   ALA  25           HB1      ALA  25 -15.467   0.053  14.401
  224    H    ASP  26           HN       ASP  26 -17.314  -0.016  12.997
  225    HA   ASP  26           HA       ASP  26 -18.157   0.210  10.209
  226   1HB   ASP  26           HB2      ASP  26 -20.302   0.986  11.184
  227   2HB   ASP  26           HB1      ASP  26 -19.757  -0.519  11.925
  228    H    ALA  27           HN       ALA  27 -16.451   1.828   9.641
  229    HA   ALA  27           HA       ALA  27 -16.268   4.418  10.773
  230   1HB   ALA  27           HB3      ALA  27 -15.871   3.518   7.901
  231   2HB   ALA  27           HB2      ALA  27 -15.418   5.110   8.507
  232   3HB   ALA  27           HB1      ALA  27 -14.626   3.669   9.142
  233    H    HIS  28           HN       HIS  28 -18.585   3.052   8.514
  234    HA   HIS  28           HA       HIS  28 -20.652   3.893   7.787
  235   1HB   HIS  28           HB2      HIS  28 -20.485   4.850  10.290
  236   2HB   HIS  28           HB1      HIS  28 -20.379   6.378   9.415
  237    HD1  HIS  28           HD1      HIS  28 -22.424   3.289   8.480
  238    HD2  HIS  28           HD2      HIS  28 -22.997   7.297   9.583
  239    HE1  HIS  28           HE1      HIS  28 -24.911   3.789   8.221
  240    H    MET  29           HN       MET  29 -17.741   5.064   7.096
  241    HA   MET  29           HA       MET  29 -18.824   7.239   5.359
  242   1HB   MET  29           HB2      MET  29 -16.318   7.051   6.974
  243   2HB   MET  29           HB1      MET  29 -16.226   7.878   5.420
  244   1HG   MET  29           HG2      MET  29 -16.766   9.450   7.262
  245   2HG   MET  29           HG1      MET  29 -18.071   9.360   6.078
  246   1HE   MET  29           HE1      MET  29 -19.712  10.113   6.955
  247   2HE   MET  29           HE3      MET  29 -20.822   8.752   7.168
  248   3HE   MET  29           HE2      MET  29 -20.486   9.839   8.514
  249    H    ALA  30           HN       ALA  30 -15.541   6.201   4.976
  250    HA   ALA  30           HA       ALA  30 -15.423   3.994   3.444
  251   1HB   ALA  30           HB1      ALA  30 -16.924   6.090   1.927
  252   2HB   ALA  30           HB3      ALA  30 -15.843   5.012   1.044
  253   3HB   ALA  30           HB2      ALA  30 -17.184   4.347   1.978
  254    H    ASN  31           HN       ASN  31 -14.398   7.178   3.983
  255    HA   ASN  31           HA       ASN  31 -12.258   7.209   1.995
  256   1HB   ASN  31           HB2      ASN  31 -12.812   8.906   4.443
  257   2HB   ASN  31           HB1      ASN  31 -11.432   9.168   3.376
  258   1HD2  ASN  31          HD22      ASN  31 -13.343  10.713   0.842
  259   2HD2  ASN  31          HD21      ASN  31 -11.813  10.173   1.338
  260    H    LYS  32           HN       LYS  32 -12.668   5.245   4.534
  261    HA   LYS  32           HA       LYS  32 -10.044   5.468   5.796
  262   1HB   LYS  32           HB2      LYS  32 -12.448   4.424   6.580
  263   2HB   LYS  32           HB1      LYS  32 -11.563   2.969   6.135
  264   1HG   LYS  32           HG2      LYS  32 -10.694   5.094   8.107
  265   2HG   LYS  32           HG1      LYS  32 -11.134   3.426   8.475
  266   1HD   LYS  32           HD2      LYS  32  -9.207   2.863   6.759
  267   2HD   LYS  32           HD1      LYS  32  -8.652   4.486   7.165
  268   1HE   LYS  32           HE2      LYS  32  -9.411   3.028   9.556
  269   2HE   LYS  32           HE1      LYS  32  -8.195   2.140   8.637
  270   1HZ   LYS  32           HZ3      LYS  32  -8.003   4.986   9.459
  271   2HZ   LYS  32           HZ2      LYS  32  -7.180   3.691  10.184
  272   3HZ   LYS  32           HZ1      LYS  32  -6.831   4.131   8.582
  273    H    LEU  33           HN       LEU  33  -9.628   5.173   3.055
  274    HA   LEU  33           HA       LEU  33  -8.683   2.340   2.872
  275   1HB   LEU  33           HB2      LEU  33  -9.658   4.246   0.735
  276   2HB   LEU  33           HB1      LEU  33  -8.729   2.806   0.344
  277    HG   LEU  33           HG       LEU  33 -11.444   2.967   1.656
  278   1HD1  LEU  33          HD11      LEU  33 -11.080   2.907  -0.889
  279   2HD1  LEU  33          HD13      LEU  33 -10.497   1.260  -0.653
  280   3HD1  LEU  33          HD12      LEU  33 -12.155   1.680  -0.218
  281   1HD2  LEU  33          HD21      LEU  33  -9.359   0.820   1.781
  282   2HD2  LEU  33          HD23      LEU  33 -10.559   1.286   2.988
  283   3HD2  LEU  33          HD22      LEU  33 -11.043   0.331   1.586
  284    H    GLU  34           HN       GLU  34  -6.650   2.788   3.823
  285    HA   GLU  34           HA       GLU  34  -4.979   4.906   2.616
  286   1HB   GLU  34           HB2      GLU  34  -5.116   4.309   5.133
  287   2HB   GLU  34           HB1      GLU  34  -4.089   2.936   4.720
  288   1HG   GLU  34           HG2      GLU  34  -2.591   4.701   3.534
  289   2HG   GLU  34           HG1      GLU  34  -3.475   5.878   4.507
  290    H    PHE  35           HN       PHE  35  -2.744   2.691   3.466
  291    HA   PHE  35           HA       PHE  35  -2.925   0.948   1.116
  292   1HB   PHE  35           HB2      PHE  35  -0.424   2.585   1.282
  293   2HB   PHE  35           HB1      PHE  35  -1.165   1.814  -0.121
  294    HD1  PHE  35           HD2      PHE  35  -1.232   4.745   2.112
  295    HD2  PHE  35           HD1      PHE  35  -3.002   2.872  -1.324
  296    HE1  PHE  35           HE2      PHE  35  -2.365   6.875   1.534
  297    HE2  PHE  35           HE1      PHE  35  -4.134   4.999  -1.902
  298    HZ   PHE  35           HZ       PHE  35  -3.817   6.999  -0.473
  299    HA   PRO  36           HA       PRO  36  -0.823  -1.490   4.186
  300   1HB   PRO  36           HB2      PRO  36  -0.386  -3.647   2.448
  301   2HB   PRO  36           HB1      PRO  36  -1.826  -3.397   3.443
  302   1HG   PRO  36           HG2      PRO  36  -1.536  -3.064   0.517
  303   2HG   PRO  36           HG1      PRO  36  -3.009  -3.248   1.481
  304   1HD   PRO  36           HD2      PRO  36  -2.045  -0.844   0.337
  305   2HD   PRO  36           HD1      PRO  36  -3.357  -0.999   1.526
  306    H    GLY  37           HN       GLY  37   1.206  -0.350   4.359
  307   1HA   GLY  37           HA2      GLY  37   3.184  -0.954   2.217
  308   2HA   GLY  37           HA1      GLY  37   3.270   0.447   3.275
  309    H    GLY  38           HN       GLY  38   5.522  -0.579   3.356
  310   1HA   GLY  38           HA2      GLY  38   5.810  -1.893   5.927
  311   2HA   GLY  38           HA1      GLY  38   6.260  -2.929   4.579
  312    H    LYS  39           HN       LYS  39   6.748   0.481   4.170
  313    HA   LYS  39           HA       LYS  39   8.705   1.743   3.953
  314   1HB   LYS  39           HB2      LYS  39   8.907   1.430   6.352
  315   2HB   LYS  39           HB1      LYS  39   9.596  -0.178   6.120
  316   1HG   LYS  39           HG2      LYS  39  11.496   1.178   6.453
  317   2HG   LYS  39           HG1      LYS  39  11.398   1.051   4.699
  318   1HD   LYS  39           HD2      LYS  39   9.766   3.199   5.198
  319   2HD   LYS  39           HD1      LYS  39  11.021   3.389   6.422
  320   1HE   LYS  39           HE2      LYS  39  11.666   2.862   3.518
  321   2HE   LYS  39           HE1      LYS  39  11.497   4.490   4.172
  322   1HZ   LYS  39           HZ1      LYS  39  13.172   2.786   5.764
  323   2HZ   LYS  39           HZ3      LYS  39  13.770   3.027   4.194
  324   3HZ   LYS  39           HZ2      LYS  39  13.453   4.363   5.195
  325    H    ILE  40           HN       ILE  40   9.686   1.390   1.954
  326    HA   ILE  40           HA       ILE  40  10.879  -1.238   1.397
  327    HB   ILE  40           HB       ILE  40   9.944  -0.320  -0.504
  328   1HG1  ILE  40          HG12      ILE  40  12.903   0.299  -0.557
  329   2HG1  ILE  40          HG11      ILE  40  12.093  -1.161  -1.132
  330   1HG2  ILE  40          HG22      ILE  40  10.745   2.206   0.718
  331   2HG2  ILE  40          HG21      ILE  40  11.045   2.190  -1.014
  332   3HG2  ILE  40          HG23      ILE  40   9.422   1.884  -0.401
  333   1HD1  ILE  40          HD12      ILE  40  10.825   0.330  -2.751
  334   2HD1  ILE  40          HD11      ILE  40  11.943   1.619  -2.304
  335   3HD1  ILE  40          HD13      ILE  40  12.550   0.153  -3.071
  336    H    GLU  41           HN       GLU  41  12.931  -1.742   1.667
  337    HA   GLU  41           HA       GLU  41  15.095   0.110   1.503
  338   1HB   GLU  41           HB2      GLU  41  15.674   0.478   3.770
  339   2HB   GLU  41           HB1      GLU  41  13.939   0.777   3.688
  340   1HG   GLU  41           HG2      GLU  41  13.602  -1.648   4.381
  341   2HG   GLU  41           HG1      GLU  41  15.331  -1.709   4.724
  342    H    MET  42           HN       MET  42  13.843  -3.011   2.481
  343    HA   MET  42           HA       MET  42  16.158  -4.427   3.148
  344   1HB   MET  42           HB2      MET  42  13.532  -5.088   2.285
  345   2HB   MET  42           HB1      MET  42  14.647  -6.006   1.273
  346   1HG   MET  42           HG2      MET  42  14.434  -7.431   3.102
  347   2HG   MET  42           HG1      MET  42  15.856  -6.495   3.565
  348   1HE   MET  42           HE3      MET  42  13.080  -8.092   4.586
  349   2HE   MET  42           HE2      MET  42  14.165  -7.970   5.970
  350   3HE   MET  42           HE1      MET  42  12.520  -7.352   6.092
  351    H    GLY  43           HN       GLY  43  17.697  -5.629   1.852
  352   1HA   GLY  43           HA2      GLY  43  19.314  -5.655   0.139
  353   2HA   GLY  43           HA1      GLY  43  17.905  -5.749  -0.924
  354    H    GLU  44           HN       GLU  44  17.778  -4.145  -2.376
  355    HA   GLU  44           HA       GLU  44  18.120  -1.372  -1.699
  356   1HB   GLU  44           HB2      GLU  44  20.159  -0.847  -2.823
  357   2HB   GLU  44           HB1      GLU  44  20.527  -2.227  -1.790
  358   1HG   GLU  44           HG2      GLU  44  19.687  -3.477  -4.079
  359   2HG   GLU  44           HG1      GLU  44  20.482  -2.045  -4.733
  360    H    THR  45           HN       THR  45  16.408  -3.381  -3.208
  361    HA   THR  45           HA       THR  45  16.039  -1.697  -5.634
  362    HB   THR  45           HB       THR  45  16.155  -4.733  -5.558
  363    HG1  THR  45           HG1      THR  45  17.755  -2.826  -6.918
  364   1HG2  THR  45          HG21      THR  45  14.507  -3.308  -7.156
  365   2HG2  THR  45          HG23      THR  45  15.976  -3.248  -8.124
  366   3HG2  THR  45          HG22      THR  45  15.279  -4.804  -7.671
  367    HA   PRO  46           HA       PRO  46  11.897  -1.674  -4.109
  368   1HB   PRO  46           HB2      PRO  46  10.857  -1.853  -6.827
  369   2HB   PRO  46           HB1      PRO  46  10.799  -0.488  -5.695
  370   1HG   PRO  46           HG2      PRO  46  12.479  -0.740  -8.006
  371   2HG   PRO  46           HG1      PRO  46  12.508   0.554  -6.800
  372   1HD   PRO  46           HD2      PRO  46  14.480  -1.501  -7.211
  373   2HD   PRO  46           HD1      PRO  46  14.483  -0.231  -5.974
  374    H    GLU  47           HN       GLU  47  13.194  -4.117  -6.212
  375    HA   GLU  47           HA       GLU  47  10.889  -5.904  -5.978
  376   1HB   GLU  47           HB2      GLU  47  13.430  -5.882  -7.409
  377   2HB   GLU  47           HB1      GLU  47  13.138  -7.442  -6.634
  378   1HG   GLU  47           HG2      GLU  47  10.825  -7.417  -7.632
  379   2HG   GLU  47           HG1      GLU  47  11.300  -5.987  -8.552
  380    H    GLN  48           HN       GLN  48  14.185  -6.923  -5.159
  381    HA   GLN  48           HA       GLN  48  13.541  -8.635  -3.087
  382   1HB   GLN  48           HB2      GLN  48  15.932  -6.814  -3.402
  383   2HB   GLN  48           HB1      GLN  48  15.779  -7.937  -2.036
  384   1HG   GLN  48           HG2      GLN  48  15.225  -9.707  -3.877
  385   2HG   GLN  48           HG1      GLN  48  16.019  -8.568  -4.964
  386   1HE2  GLN  48          HE22      GLN  48  18.262 -10.413  -2.048
  387   2HE2  GLN  48          HE21      GLN  48  16.581 -10.281  -1.845
  388    H    ALA  49           HN       ALA  49  13.589  -5.161  -2.972
  389    HA   ALA  49           HA       ALA  49  13.474  -4.948  -0.103
  390   1HB   ALA  49           HB3      ALA  49  14.157  -3.108  -1.724
  391   2HB   ALA  49           HB2      ALA  49  12.444  -2.916  -2.092
  392   3HB   ALA  49           HB1      ALA  49  13.033  -2.624  -0.455
  393    H    VAL  50           HN       VAL  50  10.919  -4.324  -2.557
  394    HA   VAL  50           HA       VAL  50   8.814  -4.325  -0.593
  395    HB   VAL  50           HB       VAL  50   8.812  -3.346  -2.988
  396   1HG1  VAL  50          HG11      VAL  50   9.435  -5.517  -4.080
  397   2HG1  VAL  50          HG13      VAL  50   7.864  -6.160  -3.607
  398   3HG1  VAL  50          HG12      VAL  50   7.960  -4.807  -4.733
  399   1HG2  VAL  50          HG21      VAL  50   6.817  -3.987  -1.231
  400   2HG2  VAL  50          HG23      VAL  50   6.567  -3.103  -2.736
  401   3HG2  VAL  50          HG22      VAL  50   6.290  -4.844  -2.679
  402    H    VAL  51           HN       VAL  51   9.918  -6.777  -2.850
  403    HA   VAL  51           HA       VAL  51   8.068  -8.815  -2.226
  404    HB   VAL  51           HB       VAL  51   9.863  -8.604  -4.117
  405   1HG1  VAL  51          HG12      VAL  51  11.398 -10.073  -1.962
  406   2HG1  VAL  51          HG11      VAL  51  11.898  -9.923  -3.645
  407   3HG1  VAL  51          HG13      VAL  51  11.795  -8.487  -2.626
  408   1HG2  VAL  51          HG21      VAL  51   8.575 -10.889  -2.860
  409   2HG2  VAL  51          HG23      VAL  51   8.802 -10.535  -4.573
  410   3HG2  VAL  51          HG22      VAL  51  10.077 -11.348  -3.664
  411    H    ARG  52           HN       ARG  52  11.317  -8.161  -0.862
  412    HA   ARG  52           HA       ARG  52  11.095 -10.319   1.074
  413   1HB   ARG  52           HB2      ARG  52  12.995  -7.950   0.970
  414   2HB   ARG  52           HB1      ARG  52  13.149  -9.316   2.061
  415   1HG   ARG  52           HG2      ARG  52  12.804 -10.144  -0.718
  416   2HG   ARG  52           HG1      ARG  52  14.252  -9.168  -0.472
  417   1HD   ARG  52           HD2      ARG  52  13.484 -11.668   1.064
  418   2HD   ARG  52           HD1      ARG  52  14.804 -11.515  -0.098
  419    HE   ARG  52           HE       ARG  52  15.381  -9.576   1.783
  420   1HH1  ARG  52          HH11      ARG  52  14.131 -10.991   3.950
  421   2HH1  ARG  52          HH12      ARG  52  15.308 -12.166   4.436
  422   1HH2  ARG  52          HH21      ARG  52  17.147 -11.929   1.507
  423   2HH2  ARG  52          HH22      ARG  52  17.015 -12.694   3.056
  424    H    GLU  53           HN       GLU  53  10.058  -7.062   0.819
  425    HA   GLU  53           HA       GLU  53   9.602  -6.624   3.682
  426   1HB   GLU  53           HB2      GLU  53   8.731  -5.215   1.151
  427   2HB   GLU  53           HB1      GLU  53   8.102  -4.752   2.731
  428   1HG   GLU  53           HG2      GLU  53  11.064  -4.994   2.375
  429   2HG   GLU  53           HG1      GLU  53  10.240  -3.573   1.743
  430    H    LEU  54           HN       LEU  54   8.191  -8.160   1.020
  431    HA   LEU  54           HA       LEU  54   5.434  -8.192   1.906
  432   1HB   LEU  54           HB2      LEU  54   7.038  -9.066  -0.394
  433   2HB   LEU  54           HB1      LEU  54   5.749 -10.195   0.007
  434    HG   LEU  54           HG       LEU  54   5.052  -8.445  -1.639
  435   1HD1  LEU  54          HD13      LEU  54   3.746  -9.238   0.766
  436   2HD1  LEU  54          HD12      LEU  54   3.332  -7.555   0.451
  437   3HD1  LEU  54          HD11      LEU  54   3.012  -8.782  -0.770
  438   1HD2  LEU  54          HD21      LEU  54   6.187  -6.738   0.486
  439   2HD2  LEU  54          HD23      LEU  54   5.964  -6.397  -1.231
  440   3HD2  LEU  54          HD22      LEU  54   4.619  -6.193  -0.110
  441    H    GLN  55           HN       GLN  55   8.133 -10.450   1.870
  442    HA   GLN  55           HA       GLN  55   6.569 -12.586   3.113
  443   1HB   GLN  55           HB2      GLN  55   9.503 -12.814   3.287
  444   2HB   GLN  55           HB1      GLN  55   8.330 -13.935   2.603
  445   1HG   GLN  55           HG2      GLN  55   8.170 -12.466   0.583
  446   2HG   GLN  55           HG1      GLN  55   9.441 -11.451   1.256
  447   1HE2  GLN  55          HE22      GLN  55  11.633 -14.576   1.118
  448   2HE2  GLN  55          HE21      GLN  55  10.916 -13.770   2.429
  449    H    GLU  56           HN       GLU  56   9.085 -10.307   4.141
  450    HA   GLU  56           HA       GLU  56   9.418 -11.261   6.775
  451   1HB   GLU  56           HB2      GLU  56  10.181  -8.942   7.300
  452   2HB   GLU  56           HB1      GLU  56  10.916  -9.589   5.835
  453   1HG   GLU  56           HG2      GLU  56  10.287  -7.505   5.094
  454   2HG   GLU  56           HG1      GLU  56   8.841  -8.424   4.673
  455    H    GLU  57           HN       GLU  57   6.763  -9.516   5.354
  456    HA   GLU  57           HA       GLU  57   5.722  -8.605   7.926
  457   1HB   GLU  57           HB2      GLU  57   4.859  -8.440   5.078
  458   2HB   GLU  57           HB1      GLU  57   3.605  -8.304   6.316
  459   1HG   GLU  57           HG2      GLU  57   4.418  -6.320   7.121
  460   2HG   GLU  57           HG1      GLU  57   6.084  -6.786   6.815
  461    H    VAL  58           HN       VAL  58   3.605 -10.242   5.699
  462    HA   VAL  58           HA       VAL  58   2.524 -11.857   7.859
  463    HB   VAL  58           HB       VAL  58   1.890 -11.855   4.909
  464   1HG1  VAL  58          HG11      VAL  58   0.983 -13.772   6.207
  465   2HG1  VAL  58          HG13      VAL  58   0.229 -12.629   7.320
  466   3HG1  VAL  58          HG12      VAL  58  -0.289 -12.690   5.635
  467   1HG2  VAL  58          HG21      VAL  58   0.882 -10.181   7.225
  468   2HG2  VAL  58          HG23      VAL  58   1.734  -9.605   5.792
  469   3HG2  VAL  58          HG22      VAL  58   0.095 -10.243   5.647
  470    H    GLY  59           HN       GLY  59   3.305 -13.114   4.574
  471   1HA   GLY  59           HA2      GLY  59   5.405 -14.693   4.746
  472   2HA   GLY  59           HA1      GLY  59   4.448 -15.479   5.992
  473    H    ILE  60           HN       ILE  60   3.132 -14.242   2.898
  474    HA   ILE  60           HA       ILE  60   2.214 -17.020   2.334
  475    HB   ILE  60           HB       ILE  60   0.918 -15.933   0.468
  476   1HG1  ILE  60          HG12      ILE  60   1.165 -13.223   1.331
  477   2HG1  ILE  60          HG11      ILE  60   2.780 -13.857   1.021
  478   1HG2  ILE  60          HG23      ILE  60   0.567 -15.615   3.300
  479   2HG2  ILE  60          HG22      ILE  60  -0.023 -14.164   2.490
  480   3HG2  ILE  60          HG21      ILE  60  -0.670 -15.744   2.050
  481   1HD1  ILE  60          HD13      ILE  60   0.622 -14.450  -0.962
  482   2HD1  ILE  60          HD12      ILE  60   1.341 -12.839  -0.957
  483   3HD1  ILE  60          HD11      ILE  60   2.356 -14.257  -1.220
  484    H    THR  61           HN       THR  61   2.312 -16.292  -0.685
  485    HA   THR  61           HA       THR  61   5.251 -16.246  -1.015
  486    HB   THR  61           HB       THR  61   3.494 -18.564  -1.746
  487    HG1  THR  61           HG1      THR  61   5.764 -19.419  -1.175
  488   1HG2  THR  61          HG22      THR  61   4.560 -17.731  -3.870
  489   2HG2  THR  61          HG21      THR  61   6.133 -17.914  -3.095
  490   3HG2  THR  61          HG23      THR  61   5.123 -19.331  -3.384
  491    HA   PRO  62           HA       PRO  62   3.581 -15.362  -5.381
  492   1HB   PRO  62           HB2      PRO  62   0.778 -15.589  -5.625
  493   2HB   PRO  62           HB1      PRO  62   1.987 -16.691  -6.301
  494   1HG   PRO  62           HG2      PRO  62   0.209 -17.098  -4.004
  495   2HG   PRO  62           HG1      PRO  62   1.162 -18.291  -4.897
  496   1HD   PRO  62           HD2      PRO  62   1.751 -17.311  -2.303
  497   2HD   PRO  62           HD1      PRO  62   2.825 -18.250  -3.356
  498    H    GLN  63           HN       GLN  63   1.708 -13.757  -6.274
  499    HA   GLN  63           HA       GLN  63   0.101 -12.041  -5.034
  500   1HB   GLN  63           HB2      GLN  63   1.614 -10.180  -4.148
  501   2HB   GLN  63           HB1      GLN  63   1.495 -11.615  -3.131
  502   1HG   GLN  63           HG2      GLN  63   3.676 -12.125  -3.409
  503   2HG   GLN  63           HG1      GLN  63   3.620 -11.803  -5.137
  504   1HE2  GLN  63          HE22      GLN  63   3.949  -8.263  -3.153
  505   2HE2  GLN  63          HE21      GLN  63   2.580  -9.240  -2.943
  506    H    HIS  64           HN       HIS  64   2.911 -12.431  -7.020
  507    HA   HIS  64           HA       HIS  64   3.639 -11.262  -8.938
  508   1HB   HIS  64           HB2      HIS  64   1.408 -12.434  -9.516
  509   2HB   HIS  64           HB1      HIS  64   0.695 -10.823  -9.428
  510    HD1  HIS  64           HD1      HIS  64   0.247 -11.144 -12.073
  511    HD2  HIS  64           HD2      HIS  64   4.267 -10.815 -10.905
  512    HE1  HIS  64           HE1      HIS  64   1.597 -10.617 -14.171
  513    H    PHE  65           HN       PHE  65   4.455  -9.479  -7.604
  514    HA   PHE  65           HA       PHE  65   2.786  -7.157  -7.109
  515   1HB   PHE  65           HB2      PHE  65   4.828  -6.138  -6.278
  516   2HB   PHE  65           HB1      PHE  65   4.763  -7.814  -5.727
  517    HD1  PHE  65           HD2      PHE  65   6.261  -9.510  -6.670
  518    HD2  PHE  65           HD1      PHE  65   6.382  -5.432  -8.011
  519    HE1  PHE  65           HE2      PHE  65   8.434  -9.942  -7.791
  520    HE2  PHE  65           HE1      PHE  65   8.553  -5.862  -9.128
  521    HZ   PHE  65           HZ       PHE  65   9.579  -8.118  -9.017
  522    H    SER  66           HN       SER  66   2.774  -5.205  -8.212
  523    HA   SER  66           HA       SER  66   4.377  -4.966 -10.705
  524   1HB   SER  66           HB2      SER  66   1.611  -4.028 -11.001
  525   2HB   SER  66           HB1      SER  66   2.593  -4.988 -12.104
  526    HG   SER  66           HG       SER  66   0.653  -5.971 -10.983
  527    H    LEU  67           HN       LEU  67   4.904  -2.776 -11.141
  528    HA   LEU  67           HA       LEU  67   4.705  -0.954  -8.927
  529   1HB   LEU  67           HB2      LEU  67   6.350  -1.052 -11.038
  530   2HB   LEU  67           HB1      LEU  67   5.198   0.122 -11.665
  531    HG   LEU  67           HG       LEU  67   7.109   0.369  -9.381
  532   1HD1  LEU  67          HD13      LEU  67   6.493   1.651 -11.871
  533   2HD1  LEU  67          HD12      LEU  67   6.327   2.828 -10.569
  534   3HD1  LEU  67          HD11      LEU  67   7.846   1.959 -10.783
  535   1HD2  LEU  67          HD21      LEU  67   4.377   1.690  -9.461
  536   2HD2  LEU  67          HD23      LEU  67   5.025   0.678  -8.172
  537   3HD2  LEU  67          HD22      LEU  67   5.714   2.271  -8.471
  538    H    PHE  68           HN       PHE  68   3.467  -0.360 -12.194
  539    HA   PHE  68           HA       PHE  68   1.376   0.420 -12.916
  540   1HB   PHE  68           HB2      PHE  68  -0.289  -0.230 -11.545
  541   2HB   PHE  68           HB1      PHE  68   0.800  -0.330 -10.184
  542    HD1  PHE  68           HD2      PHE  68  -1.412   1.943 -12.110
  543    HD2  PHE  68           HD1      PHE  68   0.871   1.398  -8.512
  544    HE1  PHE  68           HE2      PHE  68  -2.468   3.963 -11.132
  545    HE2  PHE  68           HE1      PHE  68  -0.186   3.417  -7.535
  546    HZ   PHE  68           HZ       PHE  68  -1.855   4.701  -8.846
  547    H    GLU  69           HN       GLU  69   2.646   2.065 -10.008
  548    HA   GLU  69           HA       GLU  69   3.636   4.333 -11.286
  549   1HB   GLU  69           HB2      GLU  69   0.728   4.315 -11.214
  550   2HB   GLU  69           HB1      GLU  69   1.372   5.683 -10.305
  551   1HG   GLU  69           HG2      GLU  69   2.931   6.026 -12.359
  552   2HG   GLU  69           HG1      GLU  69   1.778   4.999 -13.211
  553    H    LYS  70           HN       LYS  70   3.580   6.305  -9.610
  554    HA   LYS  70           HA       LYS  70   3.225   5.472  -6.834
  555   1HB   LYS  70           HB2      LYS  70   5.644   5.751  -6.264
  556   2HB   LYS  70           HB1      LYS  70   5.331   4.351  -7.283
  557   1HG   LYS  70           HG2      LYS  70   6.058   5.546  -9.257
  558   2HG   LYS  70           HG1      LYS  70   6.194   7.052  -8.346
  559   1HD   LYS  70           HD2      LYS  70   7.819   4.541  -7.831
  560   2HD   LYS  70           HD1      LYS  70   8.407   5.987  -8.653
  561   1HE   LYS  70           HE2      LYS  70   7.210   6.814  -6.198
  562   2HE   LYS  70           HE1      LYS  70   8.302   5.476  -5.841
  563   1HZ   LYS  70           HZ3      LYS  70   9.012   7.883  -7.429
  564   2HZ   LYS  70           HZ2      LYS  70   9.429   7.630  -5.801
  565   3HZ   LYS  70           HZ1      LYS  70  10.059   6.617  -7.011
  566    H    LEU  71           HN       LEU  71   4.193   7.294  -5.355
  567    HA   LEU  71           HA       LEU  71   4.191   9.903  -6.777
  568   1HB   LEU  71           HB2      LEU  71   2.683  10.774  -4.879
  569   2HB   LEU  71           HB1      LEU  71   1.915   9.819  -6.144
  570    HG   LEU  71           HG       LEU  71   1.875   7.856  -4.741
  571   1HD1  LEU  71          HD11      LEU  71   3.603   9.503  -2.880
  572   2HD1  LEU  71          HD13      LEU  71   2.756   8.051  -2.348
  573   3HD1  LEU  71          HD12      LEU  71   3.982   7.944  -3.611
  574   1HD2  LEU  71          HD21      LEU  71   0.494  10.205  -4.152
  575   2HD2  LEU  71          HD23      LEU  71   0.097   8.598  -3.544
  576   3HD2  LEU  71          HD22      LEU  71   1.106   9.681  -2.582
  577    H    GLU  72           HN       GLU  72   4.536  11.679  -4.999
  578    HA   GLU  72           HA       GLU  72   6.225  10.807  -2.761
  579   1HB   GLU  72           HB2      GLU  72   7.557  11.256  -5.084
  580   2HB   GLU  72           HB1      GLU  72   7.495  12.901  -4.445
  581   1HG   GLU  72           HG2      GLU  72   8.412  12.060  -2.283
  582   2HG   GLU  72           HG1      GLU  72   8.562  10.454  -2.999
  583    H    TYR  73           HN       TYR  73   4.698  11.816  -1.433
  584    HA   TYR  73           HA       TYR  73   3.799  14.537  -1.975
  585   1HB   TYR  73           HB2      TYR  73   2.784  12.439  -0.502
  586   2HB   TYR  73           HB1      TYR  73   3.422  13.497   0.753
  587    HD1  TYR  73           HD2      TYR  73   1.388  13.619  -2.390
  588    HD2  TYR  73           HD1      TYR  73   2.141  15.310   1.485
  589    HE1  TYR  73           HE2      TYR  73  -0.562  15.125  -2.671
  590    HE2  TYR  73           HE1      TYR  73   0.191  16.817   1.206
  591    HH   TYR  73           HH       TYR  73  -1.335  17.598  -0.238
  592    H    GLU  74           HN       GLU  74   4.812  16.362  -1.275
  593    HA   GLU  74           HA       GLU  74   7.181  15.945   0.453
  594   1HB   GLU  74           HB2      GLU  74   6.946  17.331  -1.884
  595   2HB   GLU  74           HB1      GLU  74   6.710  18.625  -0.709
  596   1HG   GLU  74           HG2      GLU  74   8.797  17.843   0.463
  597   2HG   GLU  74           HG1      GLU  74   9.063  16.723  -0.876
  598    H    PHE  75           HN       PHE  75   6.602  16.132   2.575
  599    HA   PHE  75           HA       PHE  75   4.520  18.004   3.444
  600   1HB   PHE  75           HB2      PHE  75   6.103  15.811   4.614
  601   2HB   PHE  75           HB1      PHE  75   5.820  17.146   5.728
  602    HD1  PHE  75           HD2      PHE  75   3.132  18.071   4.643
  603    HD2  PHE  75           HD1      PHE  75   4.657  14.151   5.513
  604    HE1  PHE  75           HE2      PHE  75   0.824  17.256   5.009
  605    HE2  PHE  75           HE1      PHE  75   2.345  13.335   5.879
  606    HZ   PHE  75           HZ       PHE  75   0.429  14.888   5.629
  607    HA   PRO  76           HA       PRO  76   6.772  21.579   4.611
  608   1HB   PRO  76           HB2      PRO  76   6.719  21.060   7.493
  609   2HB   PRO  76           HB1      PRO  76   5.904  22.336   6.578
  610   1HG   PRO  76           HG2      PRO  76   4.709  19.989   7.697
  611   2HG   PRO  76           HG1      PRO  76   3.928  21.192   6.659
  612   1HD   PRO  76           HD2      PRO  76   4.594  18.487   5.990
  613   2HD   PRO  76           HD1      PRO  76   3.905  19.724   4.920
  614    H    ASP  77           HN       ASP  77   7.649  18.553   6.152
  615    HA   ASP  77           HA       ASP  77  10.469  18.974   5.556
  616   1HB   ASP  77           HB2      ASP  77   9.424  19.596   8.217
  617   2HB   ASP  77           HB1      ASP  77  10.660  18.339   8.267
  618    H    ARG  78           HN       ARG  78   8.207  17.117   5.078
  619    HA   ARG  78           HA       ARG  78   9.550  14.627   6.023
  620   1HB   ARG  78           HB2      ARG  78   6.982  15.580   6.801
  621   2HB   ARG  78           HB1      ARG  78   6.722  14.207   5.720
  622   1HG   ARG  78           HG2      ARG  78   6.933  13.410   8.022
  623   2HG   ARG  78           HG1      ARG  78   8.319  12.868   7.078
  624   1HD   ARG  78           HD2      ARG  78   9.661  13.846   8.599
  625   2HD   ARG  78           HD1      ARG  78   9.025  15.408   8.083
  626    HE   ARG  78           HE       ARG  78   8.605  14.480  10.625
  627   1HH1  ARG  78          HH11      ARG  78   6.954  16.449   8.636
  628   2HH1  ARG  78          HH12      ARG  78   5.366  16.098   9.232
  629   1HH2  ARG  78          HH21      ARG  78   6.381  13.354  11.092
  630   2HH2  ARG  78          HH22      ARG  78   5.042  14.347  10.622
  631    H    HIS  79           HN       HIS  79  10.483  14.358   3.912
  632    HA   HIS  79           HA       HIS  79   8.687  14.275   1.573
  633   1HB   HIS  79           HB2      HIS  79  11.325  14.918   1.825
  634   2HB   HIS  79           HB1      HIS  79  11.451  13.230   1.333
  635    HD1  HIS  79           HD1      HIS  79  12.389  15.366  -0.645
  636    HD2  HIS  79           HD2      HIS  79   8.453  13.910  -0.525
  637    HE1  HIS  79           HE1      HIS  79  11.357  15.802  -2.935
  638    H    ILE  80           HN       ILE  80   7.416  12.460   1.442
  639    HA   ILE  80           HA       ILE  80   8.645   9.857   2.256
  640    HB   ILE  80           HB       ILE  80   5.757  10.777   2.175
  641   1HG1  ILE  80          HG12      ILE  80   5.766  10.497   4.512
  642   2HG1  ILE  80          HG11      ILE  80   7.174   9.443   4.480
  643   1HG2  ILE  80          HG23      ILE  80   6.950   8.022   2.264
  644   2HG2  ILE  80          HG22      ILE  80   5.441   8.349   3.116
  645   3HG2  ILE  80          HG21      ILE  80   5.541   8.600   1.374
  646   1HD1  ILE  80          HD12      ILE  80   7.327  12.354   3.687
  647   2HD1  ILE  80          HD11      ILE  80   7.558  11.816   5.348
  648   3HD1  ILE  80          HD13      ILE  80   8.654  11.263   4.086
  649    H    THR  81           HN       THR  81   8.279   8.033   0.932
  650    HA   THR  81           HA       THR  81   7.299   8.595  -1.840
  651    HB   THR  81           HB       THR  81   9.433   6.559  -1.244
  652    HG1  THR  81           HG1      THR  81   9.870   8.980  -0.724
  653   1HG2  THR  81          HG22      THR  81   8.110   7.719  -3.597
  654   2HG2  THR  81          HG21      THR  81   9.866   7.614  -3.739
  655   3HG2  THR  81          HG23      THR  81   8.919   6.162  -3.410
  656    H    LEU  82           HN       LEU  82   5.826   7.022  -2.563
  657    HA   LEU  82           HA       LEU  82   5.546   4.635  -0.785
  658   1HB   LEU  82           HB2      LEU  82   3.766   6.646  -0.751
  659   2HB   LEU  82           HB1      LEU  82   3.105   5.710  -2.094
  660    HG   LEU  82           HG       LEU  82   3.844   3.877  -0.040
  661   1HD1  LEU  82          HD12      LEU  82   3.690   5.907   1.436
  662   2HD1  LEU  82          HD11      LEU  82   2.006   6.076   0.942
  663   3HD1  LEU  82          HD13      LEU  82   2.523   4.647   1.837
  664   1HD2  LEU  82          HD21      LEU  82   2.044   3.689  -1.791
  665   2HD2  LEU  82          HD23      LEU  82   1.495   3.278  -0.167
  666   3HD2  LEU  82          HD22      LEU  82   1.090   4.847  -0.865
  667    H    TRP  83           HN       TRP  83   6.857   3.550  -2.488
  668    HA   TRP  83           HA       TRP  83   6.116   3.338  -5.209
  669   1HB   TRP  83           HB2      TRP  83   7.227   1.224  -3.339
  670   2HB   TRP  83           HB1      TRP  83   7.080   1.005  -5.082
  671    HD1  TRP  83           HD1      TRP  83   9.064   2.876  -2.448
  672    HE1  TRP  83           HE1      TRP  83  11.115   4.020  -3.556
  673    HE3  TRP  83           HE3      TRP  83   7.935   2.034  -7.354
  674    HZ2  TRP  83           HZ2      TRP  83  12.098   4.492  -6.208
  675    HZ3  TRP  83           HZ3      TRP  83   9.440   2.841  -9.150
  676    HH2  TRP  83           HH2      TRP  83  11.519   4.066  -8.584
  677    H    PHE  84           HN       PHE  84   4.012   3.023  -5.859
  678    HA   PHE  84           HA       PHE  84   2.173   1.359  -4.287
  679   1HB   PHE  84           HB2      PHE  84   1.961   3.072  -6.736
  680   2HB   PHE  84           HB1      PHE  84   0.744   1.824  -6.478
  681    HD1  PHE  84           HD2      PHE  84  -0.678   1.822  -4.473
  682    HD2  PHE  84           HD1      PHE  84   2.090   5.011  -5.259
  683    HE1  PHE  84           HE2      PHE  84  -1.826   3.229  -2.788
  684    HE2  PHE  84           HE1      PHE  84   0.940   6.420  -3.569
  685    HZ   PHE  84           HZ       PHE  84  -1.018   5.526  -2.335
  686    H    TRP  85           HN       TRP  85   3.759  -0.563  -4.670
  687    HA   TRP  85           HA       TRP  85   3.792  -1.750  -7.308
  688   1HB   TRP  85           HB2      TRP  85   4.406  -2.857  -4.559
  689   2HB   TRP  85           HB1      TRP  85   4.603  -3.791  -6.043
  690    HD1  TRP  85           HD1      TRP  85   6.342  -1.321  -3.894
  691    HE1  TRP  85           HE1      TRP  85   8.516  -0.476  -5.028
  692    HE3  TRP  85           HE3      TRP  85   5.608  -3.176  -8.594
  693    HZ2  TRP  85           HZ2      TRP  85   9.736  -0.593  -7.616
  694    HZ3  TRP  85           HZ3      TRP  85   7.291  -2.798 -10.371
  695    HH2  TRP  85           HH2      TRP  85   9.356  -1.513  -9.889
  696    H    LEU  86           HN       LEU  86   1.441  -1.703  -7.817
  697    HA   LEU  86           HA       LEU  86  -0.453  -3.122  -6.182
  698   1HB   LEU  86           HB2      LEU  86  -0.426  -2.063  -8.976
  699   2HB   LEU  86           HB1      LEU  86  -1.654  -3.260  -8.558
  700    HG   LEU  86           HG       LEU  86  -2.581  -1.090  -8.130
  701   1HD1  LEU  86          HD11      LEU  86  -2.730  -3.023  -6.366
  702   2HD1  LEU  86          HD13      LEU  86  -1.741  -1.947  -5.380
  703   3HD1  LEU  86          HD12      LEU  86  -3.326  -1.418  -5.944
  704   1HD2  LEU  86          HD22      LEU  86  -0.210  -0.065  -7.940
  705   2HD2  LEU  86          HD21      LEU  86  -1.481   0.633  -6.936
  706   3HD2  LEU  86          HD23      LEU  86  -0.316  -0.489  -6.232
  707    H    VAL  87           HN       VAL  87  -0.652  -5.252  -5.925
  708    HA   VAL  87           HA       VAL  87   0.601  -7.037  -7.967
  709    HB   VAL  87           HB       VAL  87   1.357  -8.401  -6.296
  710   1HG1  VAL  87          HG13      VAL  87   0.761  -5.822  -4.845
  711   2HG1  VAL  87          HG12      VAL  87   1.604  -7.154  -4.059
  712   3HG1  VAL  87          HG11      VAL  87   2.300  -6.391  -5.486
  713   1HG2  VAL  87          HG23      VAL  87  -1.241  -7.785  -4.869
  714   2HG2  VAL  87          HG22      VAL  87  -0.748  -9.306  -5.610
  715   3HG2  VAL  87          HG21      VAL  87   0.039  -8.751  -4.134
  716    H    GLU  88           HN       GLU  88  -0.736  -9.349  -7.877
  717    HA   GLU  88           HA       GLU  88  -3.608  -8.793  -7.494
  718   1HB   GLU  88           HB2      GLU  88  -2.496  -9.412 -10.237
  719   2HB   GLU  88           HB1      GLU  88  -4.203  -9.234  -9.827
  720   1HG   GLU  88           HG2      GLU  88  -3.678  -6.901  -9.013
  721   2HG   GLU  88           HG1      GLU  88  -2.055  -7.101  -9.674
  722    H    ARG  89           HN       ARG  89  -1.444 -11.033  -6.772
  723    HA   ARG  89           HA       ARG  89  -3.460 -13.131  -6.941
  724   1HB   ARG  89           HB2      ARG  89  -2.442 -14.645  -8.420
  725   2HB   ARG  89           HB1      ARG  89  -2.299 -13.088  -9.229
  726   1HG   ARG  89           HG2      ARG  89  -0.090 -13.436  -9.360
  727   2HG   ARG  89           HG1      ARG  89  -0.007 -13.305  -7.604
  728   1HD   ARG  89           HD2      ARG  89   0.956 -15.426  -8.125
  729   2HD   ARG  89           HD1      ARG  89  -0.670 -15.785  -7.547
  730    HE   ARG  89           HE       ARG  89  -0.996 -15.549 -10.280
  731   1HH1  ARG  89          HH21      ARG  89   0.796 -17.460  -8.044
  732   2HH1  ARG  89          HH22      ARG  89   1.083 -18.746  -9.168
  733   1HH2  ARG  89          HH11      ARG  89  -0.515 -17.157 -11.804
  734   2HH2  ARG  89          HH12      ARG  89   0.341 -18.575 -11.295
  735    H    TRP  90           HN       TRP  90  -2.689 -12.439  -4.576
  736    HA   TRP  90           HA       TRP  90  -0.270 -13.875  -3.723
  737   1HB   TRP  90           HB2      TRP  90  -0.738 -13.072  -1.528
  738   2HB   TRP  90           HB1      TRP  90  -1.151 -11.752  -2.614
  739    HD1  TRP  90           HD1      TRP  90  -2.834 -14.646  -0.710
  740    HE1  TRP  90           HE1      TRP  90  -5.276 -13.991  -0.144
  741    HE3  TRP  90           HE3      TRP  90  -3.091 -10.135  -3.115
  742    HZ2  TRP  90           HZ2      TRP  90  -7.065 -11.834  -0.662
  743    HZ3  TRP  90           HZ3      TRP  90  -5.191  -8.805  -3.053
  744    HH2  TRP  90           HH2      TRP  90  -7.169  -9.651  -1.833
  745    H    GLU  91           HN       GLU  91  -0.398 -15.692  -2.143
  746    HA   GLU  91           HA       GLU  91  -2.659 -17.468  -2.860
  747   1HB   GLU  91           HB2      GLU  91  -1.155 -19.135  -2.691
  748   2HB   GLU  91           HB1      GLU  91   0.072 -17.913  -2.418
  749   1HG   GLU  91           HG2      GLU  91  -0.207 -18.068  -0.013
  750   2HG   GLU  91           HG1      GLU  91  -1.585 -19.153  -0.207
  751    H    GLY  92           HN       GLY  92  -4.077 -18.375  -1.360
  752   1HA   GLY  92           HA2      GLY  92  -5.501 -18.244   0.508
  753   2HA   GLY  92           HA1      GLY  92  -3.992 -18.410   1.403
  754    H    GLU  93           HN       GLU  93  -2.937 -16.484   2.154
  755    HA   GLU  93           HA       GLU  93  -4.782 -14.139   2.293
  756   1HB   GLU  93           HB2      GLU  93  -3.768 -13.610   4.422
  757   2HB   GLU  93           HB1      GLU  93  -4.208 -15.318   4.447
  758   1HG   GLU  93           HG2      GLU  93  -1.781 -15.698   3.557
  759   2HG   GLU  93           HG1      GLU  93  -1.482 -14.077   4.187
  760    HA   PRO  94           HA       PRO  94  -1.770 -11.627   0.319
  761   1HB   PRO  94           HB2      PRO  94  -2.161  -9.300   1.872
  762   2HB   PRO  94           HB1      PRO  94  -3.057  -9.743   0.411
  763   1HG   PRO  94           HG2      PRO  94  -3.995  -9.719   3.162
  764   2HG   PRO  94           HG1      PRO  94  -4.929 -10.017   1.690
  765   1HD   PRO  94           HD2      PRO  94  -4.045 -11.940   3.659
  766   2HD   PRO  94           HD1      PRO  94  -5.012 -12.239   2.205
  767    H    TRP  95           HN       TRP  95  -0.246  -9.529   1.449
  768    HA   TRP  95           HA       TRP  95   0.930 -10.070   3.944
  769   1HB   TRP  95           HB2      TRP  95   2.984 -11.228   3.380
  770   2HB   TRP  95           HB1      TRP  95   1.611 -12.206   2.882
  771    HD1  TRP  95           HD1      TRP  95   1.159 -10.205   0.220
  772    HE1  TRP  95           HE1      TRP  95   2.676 -10.680  -1.832
  773    HE3  TRP  95           HE3      TRP  95   4.854 -12.857   2.513
  774    HZ2  TRP  95           HZ2      TRP  95   5.157 -12.026  -2.371
  775    HZ3  TRP  95           HZ3      TRP  95   6.775 -13.730   1.220
  776    HH2  TRP  95           HH2      TRP  95   6.931 -13.321  -1.220
  777    H    GLY  96           HN       GLY  96   0.274  -7.824   2.191
  778   1HA   GLY  96           HA2      GLY  96   2.999  -6.598   1.982
  779   2HA   GLY  96           HA1      GLY  96   1.667  -6.168   0.912
  780    H    LYS  97           HN       LYS  97   0.465  -6.669   3.993
  781    HA   LYS  97           HA       LYS  97   0.033  -3.802   4.348
  782   1HB   LYS  97           HB2      LYS  97  -1.224  -4.519   6.386
  783   2HB   LYS  97           HB1      LYS  97  -1.775  -5.320   4.914
  784   1HG   LYS  97           HG2      LYS  97  -0.889  -7.361   5.524
  785   2HG   LYS  97           HG1      LYS  97   0.402  -6.630   6.479
  786   1HD   LYS  97           HD2      LYS  97  -1.511  -5.809   8.027
  787   2HD   LYS  97           HD1      LYS  97  -2.480  -7.045   7.224
  788   1HE   LYS  97           HE2      LYS  97  -0.414  -8.592   7.759
  789   2HE   LYS  97           HE1      LYS  97  -0.077  -7.378   8.991
  790   1HZ   LYS  97           HZ1      LYS  97  -2.824  -8.048   8.995
  791   2HZ   LYS  97           HZ3      LYS  97  -1.893  -9.456   9.136
  792   3HZ   LYS  97           HZ2      LYS  97  -1.687  -8.191  10.248
  793    H    GLU  98           HN       GLU  98   0.803  -2.524   6.045
  794    HA   GLU  98           HA       GLU  98   3.432  -3.306   7.074
  795   1HB   GLU  98           HB2      GLU  98   2.419  -0.930   6.322
  796   2HB   GLU  98           HB1      GLU  98   2.043  -0.851   8.036
  797   1HG   GLU  98           HG2      GLU  98   4.664  -0.696   6.679
  798   2HG   GLU  98           HG1      GLU  98   4.161  -0.024   8.221
  799    H    GLY  99           HN       GLY  99   1.212  -4.911   8.099
  800   1HA   GLY  99           HA2      GLY  99   0.911  -5.866  10.265
  801   2HA   GLY  99           HA1      GLY  99   1.606  -4.405  10.964
  802    H    GLN 100           HN       GLN 100  -0.338  -3.063   8.848
  803    HA   GLN 100           HA       GLN 100  -2.365  -2.309  10.726
  804   1HB   GLN 100           HB2      GLN 100  -3.108  -0.894   9.033
  805   2HB   GLN 100           HB1      GLN 100  -1.459  -1.188   8.500
  806   1HG   GLN 100           HG2      GLN 100  -2.227  -2.952   6.983
  807   2HG   GLN 100           HG1      GLN 100  -3.888  -2.728   7.535
  808   1HE2  GLN 100          HE22      GLN 100  -3.259  -0.675   4.416
  809   2HE2  GLN 100          HE21      GLN 100  -3.020  -2.316   4.775
  810    HA   PRO 101           HA       PRO 101  -5.602  -5.220  10.135
  811   1HB   PRO 101           HB2      PRO 101  -7.499  -3.786   8.503
  812   2HB   PRO 101           HB1      PRO 101  -7.547  -4.047  10.252
  813   1HG   PRO 101           HG2      PRO 101  -7.034  -1.588   8.916
  814   2HG   PRO 101           HG1      PRO 101  -6.897  -1.898  10.650
  815   1HD   PRO 101           HD2      PRO 101  -4.762  -1.557   8.683
  816   2HD   PRO 101           HD1      PRO 101  -4.645  -1.615  10.446
  817    H    GLY 102           HN       GLY 102  -5.584  -3.411   7.038
  818   1HA   GLY 102           HA2      GLY 102  -5.439  -4.182   4.828
  819   2HA   GLY 102           HA1      GLY 102  -4.427  -5.473   5.484
  820    H    GLU 103           HN       GLU 103  -7.305  -4.881   3.902
  821    HA   GLU 103           HA       GLU 103  -8.144  -7.678   4.384
  822   1HB   GLU 103           HB2      GLU 103 -10.555  -6.847   4.798
  823   2HB   GLU 103           HB1      GLU 103  -9.415  -6.735   6.139
  824   1HG   GLU 103           HG2      GLU 103  -8.947  -4.339   5.066
  825   2HG   GLU 103           HG1      GLU 103 -10.593  -4.551   4.467
  826    H    TRP 104           HN       TRP 104  -8.992  -8.559   2.524
  827    HA   TRP 104           HA       TRP 104  -8.869  -7.333   0.030
  828   1HB   TRP 104           HB2      TRP 104 -11.183  -9.179   0.623
  829   2HB   TRP 104           HB1      TRP 104 -10.204  -9.072  -0.838
  830    HD1  TRP 104           HD1      TRP 104  -7.375  -9.085   0.806
  831    HE1  TRP 104           HE1      TRP 104  -6.499 -11.358   1.696
  832    HE3  TRP 104           HE3      TRP 104 -11.745 -11.732   0.794
  833    HZ2  TRP 104           HZ2      TRP 104  -7.565 -13.951   2.309
  834    HZ3  TRP 104           HZ3      TRP 104 -11.787 -14.097   1.536
  835    HH2  TRP 104           HH2      TRP 104  -9.704 -15.209   2.293
  836    H    MET 105           HN       MET 105 -10.139  -5.860  -1.065
  837    HA   MET 105           HA       MET 105 -12.681  -5.050   0.282
  838   1HB   MET 105           HB2      MET 105 -10.538  -3.495   0.512
  839   2HB   MET 105           HB1      MET 105 -11.017  -2.985  -1.110
  840   1HG   MET 105           HG2      MET 105 -12.961  -3.079   1.203
  841   2HG   MET 105           HG1      MET 105 -12.016  -1.640   0.816
  842   1HE   MET 105           HE1      MET 105 -15.058  -1.558   0.986
  843   2HE   MET 105           HE3      MET 105 -16.005  -1.951  -0.455
  844   3HE   MET 105           HE2      MET 105 -15.260  -3.236   0.492
  845    H    SER 106           HN       SER 106 -14.272  -5.530  -1.125
  846    HA   SER 106           HA       SER 106 -13.748  -5.695  -3.999
  847   1HB   SER 106           HB2      SER 106 -16.527  -5.832  -3.527
  848   2HB   SER 106           HB1      SER 106 -15.425  -7.175  -3.804
  849    HG   SER 106           HG       SER 106 -16.626  -7.240  -1.787
  850    H    LEU 107           HN       LEU 107 -13.189  -3.141  -3.306
  851    HA   LEU 107           HA       LEU 107 -15.401  -1.320  -3.407
  852   1HB   LEU 107           HB2      LEU 107 -13.572  -0.156  -2.688
  853   2HB   LEU 107           HB1      LEU 107 -12.448  -1.187  -3.565
  854    HG   LEU 107           HG       LEU 107 -14.184   0.644  -5.162
  855   1HD1  LEU 107          HD11      LEU 107 -13.354   2.045  -3.283
  856   2HD1  LEU 107          HD13      LEU 107 -11.706   1.537  -3.651
  857   3HD1  LEU 107          HD12      LEU 107 -12.612   2.505  -4.814
  858   1HD2  LEU 107          HD22      LEU 107 -12.202  -1.130  -5.748
  859   2HD2  LEU 107          HD21      LEU 107 -12.578   0.271  -6.752
  860   3HD2  LEU 107          HD23      LEU 107 -11.262   0.353  -5.580
  861    H    VAL 108           HN       VAL 108 -13.282  -2.719  -5.875
  862    HA   VAL 108           HA       VAL 108 -13.745  -3.165  -8.141
  863    HB   VAL 108           HB       VAL 108 -16.337  -1.663  -7.684
  864   1HG1  VAL 108          HG13      VAL 108 -15.121  -2.206 -10.045
  865   2HG1  VAL 108          HG12      VAL 108 -16.044  -3.690  -9.802
  866   3HG1  VAL 108          HG11      VAL 108 -16.871  -2.133  -9.835
  867   1HG2  VAL 108          HG21      VAL 108 -15.454  -4.270  -6.840
  868   2HG2  VAL 108          HG23      VAL 108 -17.034  -3.521  -6.610
  869   3HG2  VAL 108          HG22      VAL 108 -16.705  -4.453  -8.071
  870    H    GLY 109           HN       GLY 109 -12.435  -2.045  -9.460
  871   1HA   GLY 109           HA2      GLY 109 -11.295  -0.166 -10.343
  872   2HA   GLY 109           HA1      GLY 109 -12.934   0.293 -10.808
  873    H    LEU 110           HN       LEU 110 -10.502   0.597  -8.288
  874    HA   LEU 110           HA       LEU 110 -11.668   2.078  -6.329
  875   1HB   LEU 110           HB2      LEU 110  -9.010   1.976  -7.516
  876   2HB   LEU 110           HB1      LEU 110  -9.392   3.564  -6.810
  877    HG   LEU 110           HG       LEU 110 -10.377   1.885  -4.903
  878   1HD1  LEU 110          HD11      LEU 110  -8.783   0.243  -6.554
  879   2HD1  LEU 110          HD13      LEU 110  -7.816   0.558  -5.113
  880   3HD1  LEU 110          HD12      LEU 110  -9.423  -0.152  -4.961
  881   1HD2  LEU 110          HD23      LEU 110  -7.916   3.456  -5.343
  882   2HD2  LEU 110          HD22      LEU 110  -9.061   3.504  -4.006
  883   3HD2  LEU 110          HD21      LEU 110  -7.812   2.260  -4.053
  884    H    ASN 111           HN       ASN 111 -11.859   4.410  -5.927
  885    HA   ASN 111           HA       ASN 111 -12.361   6.009  -8.401
  886   1HB   ASN 111           HB2      ASN 111 -14.360   4.848  -7.037
  887   2HB   ASN 111           HB1      ASN 111 -14.212   6.333  -6.087
  888   1HD2  ASN 111          HD22      ASN 111 -16.498   7.505  -8.614
  889   2HD2  ASN 111          HD21      ASN 111 -16.441   6.790  -7.077
  890    H    ALA 112           HN       ALA 112 -10.852   5.851  -5.388
  891    HA   ALA 112           HA       ALA 112  -9.615   7.508  -4.245
  892   1HB   ALA 112           HB1      ALA 112  -9.421   8.571  -6.570
  893   2HB   ALA 112           HB3      ALA 112 -10.816   9.554  -6.124
  894   3HB   ALA 112           HB2      ALA 112  -9.324   9.675  -5.199
  895    H    ASP 113           HN       ASP 113 -12.912   7.259  -4.601
  896    HA   ASP 113           HA       ASP 113 -13.740   9.499  -2.927
  897   1HB   ASP 113           HB2      ASP 113 -14.962   7.663  -4.685
  898   2HB   ASP 113           HB1      ASP 113 -15.623   7.298  -3.101
  899    H    ASP 114           HN       ASP 114 -12.966   6.112  -2.618
  900    HA   ASP 114           HA       ASP 114 -13.729   6.053   0.238
  901   1HB   ASP 114           HB2      ASP 114 -12.885   4.038  -1.838
  902   2HB   ASP 114           HB1      ASP 114 -12.821   3.620  -0.112
  903    H    PHE 115           HN       PHE 115 -11.031   6.779  -1.678
  904    HA   PHE 115           HA       PHE 115  -9.070   5.992   0.414
  905   1HB   PHE 115           HB2      PHE 115  -8.944   6.748  -2.468
  906   2HB   PHE 115           HB1      PHE 115  -7.555   7.151  -1.464
  907    HD1  PHE 115           HD2      PHE 115  -9.918   4.245  -1.804
  908    HD2  PHE 115           HD1      PHE 115  -5.854   5.594  -1.499
  909    HE1  PHE 115           HE2      PHE 115  -9.127   1.897  -1.957
  910    HE2  PHE 115           HE1      PHE 115  -5.062   3.249  -1.653
  911    HZ   PHE 115           HZ       PHE 115  -6.699   1.399  -1.881
  912    HA   PRO 116           HA       PRO 116  -8.761  10.084   2.018
  913   1HB   PRO 116           HB2      PRO 116  -5.966   9.941   2.527
  914   2HB   PRO 116           HB1      PRO 116  -7.269   9.568   3.661
  915   1HG   PRO 116           HG2      PRO 116  -5.447   7.723   2.355
  916   2HG   PRO 116           HG1      PRO 116  -6.675   7.369   3.578
  917   1HD   PRO 116           HD2      PRO 116  -6.769   6.771   0.761
  918   2HD   PRO 116           HD1      PRO 116  -8.009   6.434   1.987
  919    HA   PRO 117           HA       PRO 117  -7.422  12.340  -1.577
  920   1HB   PRO 117           HB2      PRO 117  -7.259  14.770  -0.022
  921   2HB   PRO 117           HB1      PRO 117  -8.494  14.295  -1.195
  922   1HG   PRO 117           HG2      PRO 117  -8.770  14.413   1.658
  923   2HG   PRO 117           HG1      PRO 117  -9.967  13.838   0.488
  924   1HD   PRO 117           HD2      PRO 117  -8.392  12.269   2.347
  925   2HD   PRO 117           HD1      PRO 117  -9.649  11.708   1.226
  926    H    ALA 118           HN       ALA 118  -5.743  12.492   1.520
  927    HA   ALA 118           HA       ALA 118  -3.478  13.987   1.000
  928   1HB   ALA 118           HB3      ALA 118  -4.098  12.340   2.995
  929   2HB   ALA 118           HB2      ALA 118  -3.028  11.248   2.115
  930   3HB   ALA 118           HB1      ALA 118  -2.424  12.803   2.689
  931    H    ASN 119           HN       ASN 119  -3.919  10.569   0.069
  932    HA   ASN 119           HA       ASN 119  -1.513  10.706  -1.624
  933   1HB   ASN 119           HB2      ASN 119  -2.972   8.640  -0.298
  934   2HB   ASN 119           HB1      ASN 119  -2.976   8.284  -2.028
  935   1HD2  ASN 119          HD22      ASN 119   0.711   8.677  -0.231
  936   2HD2  ASN 119          HD21      ASN 119  -0.565   9.668   0.287
  937    H    GLU 120           HN       GLU 120  -3.333  12.509  -2.499
  938    HA   GLU 120           HA       GLU 120  -5.227  11.621  -4.430
  939   1HB   GLU 120           HB2      GLU 120  -4.038  14.105  -3.544
  940   2HB   GLU 120           HB1      GLU 120  -4.249  14.099  -5.296
  941   1HG   GLU 120           HG2      GLU 120  -6.497  13.105  -3.584
  942   2HG   GLU 120           HG1      GLU 120  -6.238  14.846  -3.707
  943    HA   PRO 121           HA       PRO 121  -1.527  12.587  -7.540
  944   1HB   PRO 121           HB2      PRO 121   0.686  11.270  -6.181
  945   2HB   PRO 121           HB1      PRO 121   0.623  12.884  -6.898
  946   1HG   PRO 121           HG2      PRO 121   0.609  12.271  -4.130
  947   2HG   PRO 121           HG1      PRO 121   0.270  13.849  -4.855
  948   1HD   PRO 121           HD2      PRO 121  -1.570  12.021  -3.573
  949   2HD   PRO 121           HD1      PRO 121  -1.896  13.657  -4.180
  950    H    VAL 122           HN       VAL 122  -1.516   9.634  -5.533
  951    HA   VAL 122           HA       VAL 122  -1.195   8.086  -8.054
  952    HB   VAL 122           HB       VAL 122  -0.774   7.506  -5.163
  953   1HG1  VAL 122          HG11      VAL 122  -1.836   5.617  -7.173
  954   2HG1  VAL 122          HG13      VAL 122  -0.412   5.044  -6.306
  955   3HG1  VAL 122          HG12      VAL 122  -1.860   5.511  -5.414
  956   1HG2  VAL 122          HG21      VAL 122   1.080   8.228  -6.652
  957   2HG2  VAL 122          HG23      VAL 122   1.338   6.603  -6.017
  958   3HG2  VAL 122          HG22      VAL 122   0.778   6.822  -7.674
  959    H    ILE 123           HN       ILE 123  -3.442   8.506  -5.326
  960    HA   ILE 123           HA       ILE 123  -5.238   6.426  -6.102
  961    HB   ILE 123           HB       ILE 123  -5.303   8.729  -4.270
  962   1HG1  ILE 123          HG12      ILE 123  -5.112   6.235  -3.748
  963   2HG1  ILE 123          HG11      ILE 123  -6.330   7.111  -2.822
  964   1HG2  ILE 123          HG21      ILE 123  -7.785   7.922  -5.791
  965   2HG2  ILE 123          HG23      ILE 123  -7.887   8.548  -4.144
  966   3HG2  ILE 123          HG22      ILE 123  -7.202   9.547  -5.428
  967   1HD1  ILE 123          HD13      ILE 123  -7.095   5.816  -5.422
  968   2HD1  ILE 123          HD12      ILE 123  -6.970   4.834  -3.962
  969   3HD1  ILE 123          HD11      ILE 123  -8.104   6.183  -4.025
  970    H    ALA 124           HN       ALA 124  -4.528   9.523  -7.424
  971    HA   ALA 124           HA       ALA 124  -6.949  10.050  -8.852
  972   1HB   ALA 124           HB2      ALA 124  -4.085  10.866  -9.087
  973   2HB   ALA 124           HB1      ALA 124  -5.127  11.134 -10.484
  974   3HB   ALA 124           HB3      ALA 124  -5.526  11.873  -8.934
  975    H    LYS 125           HN       LYS 125  -4.167   8.070  -9.472
  976    HA   LYS 125           HA       LYS 125  -4.927   7.343 -12.184
  977   1HB   LYS 125           HB2      LYS 125  -2.908   6.061 -10.324
  978   2HB   LYS 125           HB1      LYS 125  -2.973   5.903 -12.082
  979   1HG   LYS 125           HG2      LYS 125  -2.419   8.415 -10.489
  980   2HG   LYS 125           HG1      LYS 125  -1.314   7.573 -11.577
  981   1HD   LYS 125           HD2      LYS 125  -3.325   8.001 -13.302
  982   2HD   LYS 125           HD1      LYS 125  -3.604   9.365 -12.217
  983   1HE   LYS 125           HE2      LYS 125  -0.772   9.041 -12.845
  984   2HE   LYS 125           HE1      LYS 125  -1.745   9.280 -14.296
  985   1HZ   LYS 125           HZ2      LYS 125  -2.784  11.202 -13.152
  986   2HZ   LYS 125           HZ1      LYS 125  -1.654  11.020 -11.896
  987   3HZ   LYS 125           HZ3      LYS 125  -1.126  11.403 -13.462
  988    H    LEU 126           HN       LEU 126  -5.169   5.825  -8.952
  989    HA   LEU 126           HA       LEU 126  -6.109   3.273  -9.837
  990   1HB   LEU 126           HB2      LEU 126  -6.716   4.872  -7.335
  991   2HB   LEU 126           HB1      LEU 126  -7.330   3.241  -7.597
  992    HG   LEU 126           HG       LEU 126  -5.288   2.275  -7.235
  993   1HD1  LEU 126          HD11      LEU 126  -4.280   3.448  -9.252
  994   2HD1  LEU 126          HD13      LEU 126  -3.824   4.760  -8.162
  995   3HD1  LEU 126          HD12      LEU 126  -3.160   3.144  -7.928
  996   1HD2  LEU 126          HD22      LEU 126  -5.871   4.227  -5.477
  997   2HD2  LEU 126          HD21      LEU 126  -4.460   3.185  -5.308
  998   3HD2  LEU 126          HD23      LEU 126  -4.292   4.791  -6.017
  999    H    LYS 127           HN       LYS 127  -7.708   6.330  -9.176
 1000    HA   LYS 127           HA       LYS 127 -10.403   5.847  -9.352
 1001   1HB   LYS 127           HB2      LYS 127  -9.016   7.873 -11.123
 1002   2HB   LYS 127           HB1      LYS 127 -10.624   8.010 -10.387
 1003   1HG   LYS 127           HG2      LYS 127  -9.017   7.591  -8.192
 1004   2HG   LYS 127           HG1      LYS 127  -7.982   8.565  -9.234
 1005   1HD   LYS 127           HD2      LYS 127 -10.768   9.258  -8.276
 1006   2HD   LYS 127           HD1      LYS 127  -9.264  10.092  -7.880
 1007   1HE   LYS 127           HE2      LYS 127  -9.503  11.394  -9.697
 1008   2HE   LYS 127           HE1      LYS 127  -9.476   9.963 -10.728
 1009   1HZ   LYS 127           HZ2      LYS 127 -11.910  10.841  -9.291
 1010   2HZ   LYS 127           HZ1      LYS 127 -11.530  11.391 -10.854
 1011   3HZ   LYS 127           HZ3      LYS 127 -11.792   9.739 -10.579
 1012    H    ARG 128           HN       ARG 128  -8.053   5.722 -11.948
 1013    HA   ARG 128           HA       ARG 128 -10.020   5.123 -14.014
 1014   1HB   ARG 128           HB2      ARG 128  -7.143   4.507 -14.444
 1015   2HB   ARG 128           HB1      ARG 128  -8.272   5.367 -15.485
 1016   1HG   ARG 128           HG2      ARG 128  -8.096   7.087 -13.366
 1017   2HG   ARG 128           HG1      ARG 128  -6.463   6.414 -13.394
 1018   1HD   ARG 128           HD2      ARG 128  -5.941   7.617 -15.223
 1019   2HD   ARG 128           HD1      ARG 128  -7.349   7.000 -16.086
 1020    HE   ARG 128           HE       ARG 128  -8.399   8.909 -14.370
 1021   1HH1  ARG 128          HH21      ARG 128  -5.351   9.468 -15.515
 1022   2HH1  ARG 128          HH22      ARG 128  -5.756  10.827 -16.512
 1023   1HH2  ARG 128          HH11      ARG 128  -9.179  10.379 -16.189
 1024   2HH2  ARG 128          HH12      ARG 128  -7.924  11.342 -16.892
 1025    H    LEU 129           HN       LEU 129  -7.390   3.299 -12.416
 1026    HA   LEU 129           HA       LEU 129  -6.940   0.949 -12.620
 1027   1HB   LEU 129           HB2      LEU 129  -8.848   1.682 -10.709
 1028   2HB   LEU 129           HB1      LEU 129  -9.533   0.269 -11.492
 1029    HG   LEU 129           HG       LEU 129  -7.537  -1.023 -11.038
 1030   1HD1  LEU 129          HD11      LEU 129  -5.899   0.877 -11.236
 1031   2HD1  LEU 129          HD13      LEU 129  -6.449   1.458  -9.667
 1032   3HD1  LEU 129          HD12      LEU 129  -5.645  -0.104  -9.799
 1033   1HD2  LEU 129          HD21      LEU 129  -9.286  -0.813  -9.275
 1034   2HD2  LEU 129          HD23      LEU 129  -7.682  -1.099  -8.603
 1035   3HD2  LEU 129          HD22      LEU 129  -8.375   0.523  -8.569
 1036   3HOG  APC 130           H5T      ATP 130   6.034   1.750  10.418
 1037   1H3A  APC 130           H3P      ATP 130   7.684   1.525   7.742
 1038   2H3A  APC 130          H3P'      ATP 130   7.397   2.083   9.408
 1039   1H5*  APC 130           H5'      ATP 130  10.376   5.065   6.891
 1040   2H5*  APC 130          H5''      ATP 130  10.591   4.682   8.610
 1041    H4*  APC 130           H4'      ATP 130   9.371   6.614   8.804
 1042    H3*  APC 130           H3'      ATP 130   7.529   4.274   8.634
 1043   *HO3  APC 130          H3''      ATP 130   7.952   6.320  10.643
 1044    H2*  APC 130          H2''      ATP 130   5.722   5.453   8.103
 1045   *HO2  APC 130           H2'      ATP 130   5.065   7.124   9.273
 1046    H1*  APC 130           H1'      ATP 130   7.036   8.018   7.577
 1047    H8   APC 130           H8       ATP 130   6.564   4.855   5.457
 1048    H2   APC 130           H2       ATP 130   3.623  10.494   6.040
 1049   1HN6  APC 130           H61      ATP 130   2.733   6.369   2.887
 1050   2HN6  APC 130           H62      ATP 130   1.816   7.857   2.889
 1051   1HN1  CON 131          H1N1      ATP 130  12.286   0.101  12.241
 1052   2HN1  CON 131          H2N1      ATP 130  11.956  -0.923  11.109
 1053   3HN1  CON 131          H3N1      ATP 130  12.086  -1.413  12.589
 1054   1HN2  CON 131          H1N2      ATP 130   9.178  -0.586  14.820
 1055   2HN2  CON 131          H2N2      ATP 130   9.799  -1.946  14.347
 1056   3HN2  CON 131          H3N2      ATP 130  10.729  -0.726  14.655
 1057   1HN3  CON 131          H1N3      ATP 130   9.331   2.120  12.996
 1058   2HN3  CON 131          H2N3      ATP 130  10.714   2.053  12.268
 1059   3HN3  CON 131          H3N3      ATP 130  10.595   1.616  13.764
 1060   1HN4  CON 131          H1N4      ATP 130   9.175  -2.871  12.467
 1061   2HN4  CON 131          H2N4      ATP 130   8.521  -2.329  11.156
 1062   3HN4  CON 131          H3N4      ATP 130  10.046  -2.666  11.185
 1063   1HO1  MO2 132          H1O1      MG  131  10.060  -2.639   6.200
 1064   2HO1  MO2 132          H2O1      MG  131  10.107  -3.352   7.536
 1065   1HO2  MO2 132          H1O2      MG  131   7.798  -5.557   8.671
 1066   2HO2  MO2 132          H2O2      MG  131   7.829  -4.182   9.282
   
  No H/Q in entry =        1066
  Start of MODEL    5
    1   1H    MET   1           HT3      MET   1  12.606  11.911   9.329
    2   2H    MET   1           HT2      MET   1  13.641  11.503  10.613
    3   3H    MET   1           HT1      MET   1  12.281  12.485  10.892
    4    HA   MET   1           HA       MET   1  13.203  14.308   9.770
    5   1HB   MET   1           HB2      MET   1  14.165  13.932  12.008
    6   2HB   MET   1           HB1      MET   1  15.410  12.899  11.302
    7   1HG   MET   1           HG2      MET   1  16.664  14.716  10.889
    8   2HG   MET   1           HG1      MET   1  15.398  15.326   9.824
    9   1HE   MET   1           HE3      MET   1  17.525  15.824  12.582
   10   2HE   MET   1           HE2      MET   1  16.724  16.773  13.834
   11   3HE   MET   1           HE1      MET   1  16.402  15.045  13.706
   12    H    LYS   2           HN       LYS   2  13.117  12.827   7.585
   13    HA   LYS   2           HA       LYS   2  15.385  13.550   6.048
   14   1HB   LYS   2           HB2      LYS   2  16.660  11.574   5.844
   15   2HB   LYS   2           HB1      LYS   2  16.341  11.672   7.570
   16   1HG   LYS   2           HG2      LYS   2  15.068   9.843   5.530
   17   2HG   LYS   2           HG1      LYS   2  15.864   9.422   7.039
   18   1HD   LYS   2           HD2      LYS   2  14.031  10.212   8.343
   19   2HD   LYS   2           HD1      LYS   2  13.291  11.016   6.968
   20   1HE   LYS   2           HE2      LYS   2  12.076   9.155   6.673
   21   2HE   LYS   2           HE1      LYS   2  13.565   8.391   6.117
   22   1HZ   LYS   2           HZ1      LYS   2  13.191   8.556   8.997
   23   2HZ   LYS   2           HZ3      LYS   2  12.162   7.489   8.172
   24   3HZ   LYS   2           HZ2      LYS   2  13.846   7.303   8.055
   25    H    LYS   3           HN       LYS   3  15.326  11.196   4.309
   26    HA   LYS   3           HA       LYS   3  12.596  11.590   3.185
   27   1HB   LYS   3           HB2      LYS   3  14.113  12.078   1.469
   28   2HB   LYS   3           HB1      LYS   3  15.268  10.857   2.010
   29   1HG   LYS   3           HG2      LYS   3  14.109   9.117   1.014
   30   2HG   LYS   3           HG1      LYS   3  12.561   9.957   1.116
   31   1HD   LYS   3           HD2      LYS   3  12.820  10.703  -0.989
   32   2HD   LYS   3           HD1      LYS   3  14.329  11.495  -0.531
   33   1HE   LYS   3           HE2      LYS   3  15.200   8.948  -0.647
   34   2HE   LYS   3           HE1      LYS   3  13.898   8.856  -1.834
   35   1HZ   LYS   3           HZ2      LYS   3  15.507  11.219  -2.096
   36   2HZ   LYS   3           HZ1      LYS   3  16.400   9.789  -2.305
   37   3HZ   LYS   3           HZ3      LYS   3  15.041  10.088  -3.276
   38    H    LEU   4           HN       LEU   4  11.388   9.696   2.545
   39    HA   LEU   4           HA       LEU   4  12.459   7.061   3.291
   40   1HB   LEU   4           HB2      LEU   4  11.011   6.553   5.014
   41   2HB   LEU   4           HB1      LEU   4  11.173   8.280   5.295
   42    HG   LEU   4           HG       LEU   4   9.072   8.066   3.444
   43   1HD1  LEU   4          HD12      LEU   4   9.196   5.742   5.301
   44   2HD1  LEU   4          HD11      LEU   4   7.631   6.490   5.010
   45   3HD1  LEU   4          HD13      LEU   4   8.555   5.837   3.663
   46   1HD2  LEU   4          HD23      LEU   4   9.206   8.457   6.425
   47   2HD2  LEU   4          HD22      LEU   4   9.098   9.695   5.173
   48   3HD2  LEU   4          HD21      LEU   4   7.716   8.652   5.502
   49    H    GLN   5           HN       GLN   5  10.811   5.334   2.673
   50    HA   GLN   5           HA       GLN   5   8.924   6.246   0.580
   51   1HB   GLN   5           HB2      GLN   5  10.963   4.057   0.080
   52   2HB   GLN   5           HB1      GLN   5   9.788   4.700  -1.070
   53   1HG   GLN   5           HG2      GLN   5  11.557   6.011  -1.700
   54   2HG   GLN   5           HG1      GLN   5  11.000   6.999  -0.342
   55   1HE2  GLN   5          HE22      GLN   5  14.564   5.050  -0.090
   56   2HE2  GLN   5          HE21      GLN   5  13.576   4.887  -1.462
   57    H    ILE   6           HN       ILE   6   7.605   4.226  -0.153
   58    HA   ILE   6           HA       ILE   6   7.418   2.286   2.090
   59    HB   ILE   6           HB       ILE   6   5.309   4.180   1.107
   60   1HG1  ILE   6          HG12      ILE   6   6.774   3.580   3.551
   61   2HG1  ILE   6          HG11      ILE   6   5.819   4.999   3.146
   62   1HG2  ILE   6          HG22      ILE   6   4.410   1.864   0.789
   63   2HG2  ILE   6          HG21      ILE   6   4.735   1.538   2.491
   64   3HG2  ILE   6          HG23      ILE   6   3.551   2.764   2.037
   65   1HD1  ILE   6          HD11      ILE   6   4.621   2.374   4.098
   66   2HD1  ILE   6          HD13      ILE   6   4.968   3.735   5.162
   67   3HD1  ILE   6          HD12      ILE   6   3.772   3.904   3.878
   68    H    ALA   7           HN       ALA   7   7.639   0.343   1.178
   69    HA   ALA   7           HA       ALA   7   6.949  -0.096  -1.646
   70   1HB   ALA   7           HB2      ALA   7   8.572  -1.415   0.391
   71   2HB   ALA   7           HB1      ALA   7   7.559  -2.562  -0.481
   72   3HB   ALA   7           HB3      ALA   7   8.683  -1.529  -1.365
   73    H    VAL   8           HN       VAL   8   4.619   0.544  -0.784
   74    HA   VAL   8           HA       VAL   8   3.225  -1.591   0.598
   75    HB   VAL   8           HB       VAL   8   2.266   0.479   1.085
   76   1HG1  VAL   8          HG13      VAL   8   3.136   1.136  -1.626
   77   2HG1  VAL   8          HG12      VAL   8   1.532   1.767  -1.267
   78   3HG1  VAL   8          HG11      VAL   8   2.894   2.192  -0.235
   79   1HG2  VAL   8          HG21      VAL   8   0.635  -1.325   0.085
   80   2HG2  VAL   8          HG23      VAL   8   0.039   0.309   0.376
   81   3HG2  VAL   8          HG22      VAL   8   0.492  -0.188  -1.254
   82    H    GLY   9           HN       GLY   9   2.209  -0.165  -2.509
   83   1HA   GLY   9           HA2      GLY   9   1.506  -1.284  -4.449
   84   2HA   GLY   9           HA1      GLY   9   2.456  -2.673  -3.904
   85    H    ILE  10           HN       ILE  10  -0.618  -1.069  -3.697
   86    HA   ILE  10           HA       ILE  10  -1.924  -2.610  -1.754
   87    HB   ILE  10           HB       ILE  10  -3.595  -2.191  -4.151
   88   1HG1  ILE  10          HG12      ILE  10  -2.209   0.148  -2.802
   89   2HG1  ILE  10          HG11      ILE  10  -2.027  -0.328  -4.497
   90   1HG2  ILE  10          HG21      ILE  10  -4.101  -2.555  -1.558
   91   2HG2  ILE  10          HG23      ILE  10  -3.955  -0.798  -1.528
   92   3HG2  ILE  10          HG22      ILE  10  -5.159  -1.563  -2.563
   93   1HD1  ILE  10          HD12      ILE  10  -4.795  -0.110  -4.107
   94   2HD1  ILE  10          HD11      ILE  10  -4.114   1.272  -3.250
   95   3HD1  ILE  10          HD13      ILE  10  -3.762   1.035  -4.962
   96    H    ILE  11           HN       ILE  11  -3.708  -4.358  -2.472
   97    HA   ILE  11           HA       ILE  11  -2.468  -6.099  -4.524
   98    HB   ILE  11           HB       ILE  11  -2.752  -8.021  -2.808
   99   1HG1  ILE  11          HG12      ILE  11  -2.737  -5.566  -1.014
  100   2HG1  ILE  11          HG11      ILE  11  -4.009  -6.791  -1.121
  101   1HG2  ILE  11          HG21      ILE  11  -0.643  -6.317  -3.490
  102   2HG2  ILE  11          HG23      ILE  11  -0.604  -6.359  -1.730
  103   3HG2  ILE  11          HG22      ILE  11  -0.493  -7.858  -2.647
  104   1HD1  ILE  11          HD11      ILE  11  -1.550  -8.148  -0.647
  105   2HD1  ILE  11          HD13      ILE  11  -1.654  -6.818   0.506
  106   3HD1  ILE  11          HD12      ILE  11  -2.939  -8.023   0.430
  107    H    ARG  12           HN       ARG  12  -4.480  -5.403  -5.659
  108    HA   ARG  12           HA       ARG  12  -7.015  -6.453  -4.620
  109   1HB   ARG  12           HB2      ARG  12  -7.495  -6.038  -7.294
  110   2HB   ARG  12           HB1      ARG  12  -7.755  -4.831  -6.045
  111   1HG   ARG  12           HG2      ARG  12  -5.422  -4.034  -6.405
  112   2HG   ARG  12           HG1      ARG  12  -5.267  -5.178  -7.734
  113   1HD   ARG  12           HD2      ARG  12  -7.585  -3.256  -7.705
  114   2HD   ARG  12           HD1      ARG  12  -6.008  -2.705  -8.271
  115    HE   ARG  12           HE       ARG  12  -6.417  -5.075  -9.653
  116   1HH1  ARG  12          HH11      ARG  12  -9.327  -4.531  -9.516
  117   2HH1  ARG  12          HH12      ARG  12  -9.595  -3.522 -10.898
  118   1HH2  ARG  12          HH21      ARG  12  -6.239  -2.761 -11.317
  119   2HH2  ARG  12          HH22      ARG  12  -7.844  -2.523 -11.922
  120    H    ASN  13           HN       ASN  13  -8.145  -8.353  -5.844
  121    HA   ASN  13           HA       ASN  13  -6.271  -9.806  -7.554
  122   1HB   ASN  13           HB2      ASN  13  -5.752 -11.596  -6.101
  123   2HB   ASN  13           HB1      ASN  13  -5.486 -10.099  -5.195
  124   1HD2  ASN  13          HD22      ASN  13  -7.774 -12.713  -3.427
  125   2HD2  ASN  13          HD21      ASN  13  -6.437 -13.012  -4.430
  126    H    GLU  14           HN       GLU  14  -9.580  -9.834  -6.155
  127    HA   GLU  14           HA       GLU  14 -10.043 -12.302  -7.774
  128   1HB   GLU  14           HB2      GLU  14 -11.084 -11.875  -5.442
  129   2HB   GLU  14           HB1      GLU  14 -12.195 -10.798  -6.286
  130   1HG   GLU  14           HG2      GLU  14 -13.023 -12.571  -7.660
  131   2HG   GLU  14           HG1      GLU  14 -11.726 -13.656  -7.157
  132    H    ASN  15           HN       ASN  15 -10.573  -8.946  -7.798
  133    HA   ASN  15           HA       ASN  15 -11.204  -8.864 -10.626
  134   1HB   ASN  15           HB2      ASN  15 -13.461  -9.286  -9.310
  135   2HB   ASN  15           HB1      ASN  15 -13.268  -7.609  -8.802
  136   1HD2  ASN  15          HD22      ASN  15 -13.305  -6.624 -12.437
  137   2HD2  ASN  15          HD21      ASN  15 -12.128  -6.543 -11.216
  138    H    ASN  16           HN       ASN  16 -11.432  -7.386  -7.527
  139    HA   ASN  16           HA       ASN  16  -9.273  -5.551  -7.935
  140   1HB   ASN  16           HB2      ASN  16 -11.125  -4.289  -9.057
  141   2HB   ASN  16           HB1      ASN  16 -12.075  -4.422  -7.578
  142   1HD2  ASN  16          HD22      ASN  16 -10.324  -1.142  -7.424
  143   2HD2  ASN  16          HD21      ASN  16 -11.515  -1.842  -8.410
  144    H    GLU  17           HN       GLU  17  -9.938  -7.809  -6.222
  145    HA   GLU  17           HA       GLU  17 -10.954  -6.570  -3.743
  146   1HB   GLU  17           HB2      GLU  17  -9.872  -9.349  -4.202
  147   2HB   GLU  17           HB1      GLU  17 -10.662  -8.770  -2.731
  148   1HG   GLU  17           HG2      GLU  17 -12.585  -8.055  -4.349
  149   2HG   GLU  17           HG1      GLU  17 -11.859  -9.228  -5.444
  150    H    ILE  18           HN       ILE  18  -9.447  -5.002  -3.303
  151    HA   ILE  18           HA       ILE  18  -6.619  -5.668  -2.993
  152    HB   ILE  18           HB       ILE  18  -6.708  -3.237  -1.914
  153   1HG1  ILE  18          HG12      ILE  18  -9.170  -3.216  -3.679
  154   2HG1  ILE  18          HG11      ILE  18  -9.258  -3.314  -1.920
  155   1HG2  ILE  18          HG22      ILE  18  -5.754  -4.080  -4.161
  156   2HG2  ILE  18          HG21      ILE  18  -7.260  -3.489  -4.866
  157   3HG2  ILE  18          HG23      ILE  18  -6.175  -2.371  -4.042
  158   1HD1  ILE  18          HD11      ILE  18  -7.458  -1.209  -2.522
  159   2HD1  ILE  18          HD13      ILE  18  -8.855  -1.000  -3.577
  160   3HD1  ILE  18          HD12      ILE  18  -9.076  -1.075  -1.831
  161    H    PHE  19           HN       PHE  19  -5.468  -5.727  -1.097
  162    HA   PHE  19           HA       PHE  19  -6.929  -6.531   1.333
  163   1HB   PHE  19           HB2      PHE  19  -4.715  -7.524   0.393
  164   2HB   PHE  19           HB1      PHE  19  -3.947  -6.100   1.087
  165    HD1  PHE  19           HD1      PHE  19  -6.591  -8.555   2.155
  166    HD2  PHE  19           HD2      PHE  19  -2.969  -6.475   3.152
  167    HE1  PHE  19           HE1      PHE  19  -6.543  -9.692   4.360
  168    HE2  PHE  19           HE2      PHE  19  -2.922  -7.610   5.355
  169    HZ   PHE  19           HZ       PHE  19  -4.710  -9.217   5.961
  170    H    ILE  20           HN       ILE  20  -7.514  -3.899   0.625
  171    HA   ILE  20           HA       ILE  20  -5.796  -1.993   1.975
  172    HB   ILE  20           HB       ILE  20  -7.137  -1.415  -0.014
  173   1HG1  ILE  20          HG12      ILE  20  -8.353   0.608   1.054
  174   2HG1  ILE  20          HG11      ILE  20  -7.673   0.033   2.569
  175   1HG2  ILE  20          HG22      ILE  20  -9.151  -2.778   1.411
  176   2HG2  ILE  20          HG21      ILE  20  -9.680  -1.099   1.291
  177   3HG2  ILE  20          HG23      ILE  20  -9.294  -2.007  -0.170
  178   1HD1  ILE  20          HD13      ILE  20  -5.828   0.241   0.242
  179   2HD1  ILE  20          HD12      ILE  20  -6.368   1.746   0.983
  180   3HD1  ILE  20          HD11      ILE  20  -5.516   0.545   1.952
  181    H    THR  21           HN       THR  21  -6.344  -0.819   3.809
  182    HA   THR  21           HA       THR  21  -7.742  -2.306   5.885
  183    HB   THR  21           HB       THR  21  -5.968  -0.968   6.676
  184    HG1  THR  21           HG1      THR  21  -8.206  -0.659   7.662
  185   1HG2  THR  21          HG22      THR  21  -7.130   1.133   4.863
  186   2HG2  THR  21          HG21      THR  21  -6.040   1.582   6.174
  187   3HG2  THR  21          HG23      THR  21  -5.487   0.494   4.901
  188    H    ARG  22           HN       ARG  22  -9.853  -2.536   5.007
  189    HA   ARG  22           HA       ARG  22 -11.381  -0.147   4.277
  190   1HB   ARG  22           HB2      ARG  22 -11.607  -2.372   3.104
  191   2HB   ARG  22           HB1      ARG  22 -12.381  -2.988   4.569
  192   1HG   ARG  22           HG2      ARG  22 -14.061  -2.204   2.932
  193   2HG   ARG  22           HG1      ARG  22 -14.101  -1.234   4.408
  194   1HD   ARG  22           HD2      ARG  22 -12.829   0.530   3.369
  195   2HD   ARG  22           HD1      ARG  22 -12.520  -0.461   1.943
  196    HE   ARG  22           HE       ARG  22 -15.294  -0.325   2.103
  197   1HH1  ARG  22          HH11      ARG  22 -13.327   2.267   2.938
  198   2HH1  ARG  22          HH12      ARG  22 -13.930   3.338   1.722
  199   1HH2  ARG  22          HH21      ARG  22 -15.812   0.904   0.126
  200   2HH2  ARG  22          HH22      ARG  22 -15.344   2.572   0.134
  201    H    ARG  23           HN       ARG  23 -11.632   1.035   6.159
  202    HA   ARG  23           HA       ARG  23 -12.139   1.289   8.536
  203   1HB   ARG  23           HB2      ARG  23 -14.895   0.966   8.268
  204   2HB   ARG  23           HB1      ARG  23 -13.989   2.445   7.955
  205   1HG   ARG  23           HG2      ARG  23 -13.992   2.120   5.652
  206   2HG   ARG  23           HG1      ARG  23 -14.153   0.369   5.795
  207   1HD   ARG  23           HD2      ARG  23 -16.411   1.894   6.925
  208   2HD   ARG  23           HD1      ARG  23 -16.218   2.067   5.181
  209    HE   ARG  23           HE       ARG  23 -16.014  -0.661   5.587
  210   1HH1  ARG  23          HH21      ARG  23 -17.752  -0.368   7.963
  211   2HH1  ARG  23          HH22      ARG  23 -19.345  -0.457   7.287
  212   1HH2  ARG  23          HH11      ARG  23 -18.292   0.158   4.043
  213   2HH2  ARG  23          HH12      ARG  23 -19.650  -0.159   5.070
  214    H    ALA  24           HN       ALA  24 -11.186  -0.801   9.280
  215    HA   ALA  24           HA       ALA  24 -12.283  -3.295   9.404
  216   1HB   ALA  24           HB1      ALA  24 -10.842  -1.684  11.488
  217   2HB   ALA  24           HB3      ALA  24 -11.455  -3.283  11.906
  218   3HB   ALA  24           HB2      ALA  24 -10.289  -3.100  10.595
  219    H    ALA  25           HN       ALA  25 -13.131  -0.742  11.790
  220    HA   ALA  25           HA       ALA  25 -15.383  -2.329  12.768
  221   1HB   ALA  25           HB3      ALA  25 -14.082  -0.759  14.231
  222   2HB   ALA  25           HB2      ALA  25 -14.730   0.588  13.294
  223   3HB   ALA  25           HB1      ALA  25 -15.815  -0.433  14.238
  224    H    ASP  26           HN       ASP  26 -17.097   0.142  13.007
  225    HA   ASP  26           HA       ASP  26 -18.480  -0.201  10.456
  226   1HB   ASP  26           HB2      ASP  26 -19.041   1.490  12.906
  227   2HB   ASP  26           HB1      ASP  26 -20.076   1.497  11.476
  228    H    ALA  27           HN       ALA  27 -17.278   2.702  12.190
  229    HA   ALA  27           HA       ALA  27 -16.061   4.530  11.303
  230   1HB   ALA  27           HB3      ALA  27 -15.554   2.604   9.412
  231   2HB   ALA  27           HB2      ALA  27 -16.401   3.823   8.461
  232   3HB   ALA  27           HB1      ALA  27 -14.937   4.254   9.344
  233    H    HIS  28           HN       HIS  28 -19.084   3.442   9.849
  234    HA   HIS  28           HA       HIS  28 -20.849   4.682   8.916
  235   1HB   HIS  28           HB2      HIS  28 -20.022   5.916  11.386
  236   2HB   HIS  28           HB1      HIS  28 -20.522   7.172  10.252
  237    HD1  HIS  28           HD1      HIS  28 -21.977   3.683  10.203
  238    HD2  HIS  28           HD2      HIS  28 -23.092   7.550  11.394
  239    HE1  HIS  28           HE1      HIS  28 -24.471   3.617  10.723
  240    H    MET  29           HN       MET  29 -18.073   4.878   7.836
  241    HA   MET  29           HA       MET  29 -18.516   7.249   6.111
  242   1HB   MET  29           HB2      MET  29 -16.136   6.730   7.879
  243   2HB   MET  29           HB1      MET  29 -15.918   7.586   6.355
  244   1HG   MET  29           HG2      MET  29 -17.850   9.103   7.124
  245   2HG   MET  29           HG1      MET  29 -17.621   8.389   8.721
  246   1HE   MET  29           HE1      MET  29 -17.369  11.362   7.366
  247   2HE   MET  29           HE3      MET  29 -15.718  11.987   7.239
  248   3HE   MET  29           HE2      MET  29 -16.328  10.851   6.040
  249    H    ALA  30           HN       ALA  30 -16.119   6.986   4.634
  250    HA   ALA  30           HA       ALA  30 -15.666   4.190   3.995
  251   1HB   ALA  30           HB3      ALA  30 -17.681   5.762   2.514
  252   2HB   ALA  30           HB2      ALA  30 -16.535   4.864   1.518
  253   3HB   ALA  30           HB1      ALA  30 -17.524   4.014   2.705
  254    H    ASN  31           HN       ASN  31 -14.264   6.856   4.480
  255    HA   ASN  31           HA       ASN  31 -12.707   7.019   1.942
  256   1HB   ASN  31           HB2      ASN  31 -13.507   8.952   3.930
  257   2HB   ASN  31           HB1      ASN  31 -11.747   8.899   3.839
  258   1HD2  ASN  31          HD22      ASN  31 -12.988  11.258   1.202
  259   2HD2  ASN  31          HD21      ASN  31 -13.124  11.190   2.894
  260    H    LYS  32           HN       LYS  32 -12.694   5.010   4.315
  261    HA   LYS  32           HA       LYS  32 -10.016   5.285   5.449
  262   1HB   LYS  32           HB2      LYS  32 -12.397   3.783   5.966
  263   2HB   LYS  32           HB1      LYS  32 -11.048   2.664   5.792
  264   1HG   LYS  32           HG2      LYS  32 -10.954   5.117   7.549
  265   2HG   LYS  32           HG1      LYS  32 -11.396   3.516   8.138
  266   1HD   LYS  32           HD2      LYS  32  -9.183   2.699   7.143
  267   2HD   LYS  32           HD1      LYS  32  -8.749   4.401   6.981
  268   1HE   LYS  32           HE2      LYS  32  -9.731   3.292   9.606
  269   2HE   LYS  32           HE1      LYS  32  -8.030   3.181   9.151
  270   1HZ   LYS  32           HZ3      LYS  32  -9.555   5.723   9.120
  271   2HZ   LYS  32           HZ2      LYS  32  -8.660   5.196  10.465
  272   3HZ   LYS  32           HZ1      LYS  32  -7.876   5.519   8.993
  273    H    LEU  33           HN       LEU  33  -9.619   5.251   2.708
  274    HA   LEU  33           HA       LEU  33  -8.766   2.439   2.150
  275   1HB   LEU  33           HB2      LEU  33  -9.281   4.768   0.276
  276   2HB   LEU  33           HB1      LEU  33  -8.628   3.224  -0.256
  277    HG   LEU  33           HG       LEU  33 -11.359   3.820   0.888
  278   1HD1  LEU  33          HD11      LEU  33 -10.828   3.979  -1.593
  279   2HD1  LEU  33          HD13      LEU  33 -10.513   2.244  -1.554
  280   3HD1  LEU  33          HD12      LEU  33 -12.122   2.857  -1.173
  281   1HD2  LEU  33          HD23      LEU  33 -10.029   1.115   0.531
  282   2HD2  LEU  33          HD22      LEU  33 -10.507   1.836   2.068
  283   3HD2  LEU  33          HD21      LEU  33 -11.734   1.361   0.895
  284    H    GLU  34           HN       GLU  34  -6.790   2.678   3.405
  285    HA   GLU  34           HA       GLU  34  -4.893   4.785   2.562
  286   1HB   GLU  34           HB2      GLU  34  -5.363   3.842   4.998
  287   2HB   GLU  34           HB1      GLU  34  -4.165   2.639   4.520
  288   1HG   GLU  34           HG2      GLU  34  -3.067   5.053   3.662
  289   2HG   GLU  34           HG1      GLU  34  -3.789   5.447   5.221
  290    H    PHE  35           HN       PHE  35  -2.717   2.624   3.363
  291    HA   PHE  35           HA       PHE  35  -2.774   0.953   0.936
  292   1HB   PHE  35           HB2      PHE  35  -0.158   2.211   1.174
  293   2HB   PHE  35           HB1      PHE  35  -1.181   2.026  -0.247
  294    HD1  PHE  35           HD2      PHE  35  -0.864   4.057   2.888
  295    HD2  PHE  35           HD1      PHE  35  -2.219   3.905  -1.185
  296    HE1  PHE  35           HE2      PHE  35  -1.421   6.472   2.982
  297    HE2  PHE  35           HE1      PHE  35  -2.772   6.320  -1.091
  298    HZ   PHE  35           HZ       PHE  35  -2.372   7.604   0.992
  299    HA   PRO  36           HA       PRO  36  -0.979  -1.612   4.144
  300   1HB   PRO  36           HB2      PRO  36  -0.866  -3.858   2.482
  301   2HB   PRO  36           HB1      PRO  36  -2.251  -3.387   3.475
  302   1HG   PRO  36           HG2      PRO  36  -1.921  -3.167   0.534
  303   2HG   PRO  36           HG1      PRO  36  -3.408  -3.194   1.494
  304   1HD   PRO  36           HD2      PRO  36  -2.250  -0.917   0.309
  305   2HD   PRO  36           HD1      PRO  36  -3.527  -0.925   1.548
  306    H    GLY  37           HN       GLY  37   1.232  -0.646   4.137
  307   1HA   GLY  37           HA2      GLY  37   3.032  -2.049   2.212
  308   2HA   GLY  37           HA1      GLY  37   3.264  -0.344   2.589
  309    H    GLY  38           HN       GLY  38   5.169  -0.325   3.701
  310   1HA   GLY  38           HA2      GLY  38   5.396  -1.041   6.378
  311   2HA   GLY  38           HA1      GLY  38   5.972  -2.448   5.486
  312    H    LYS  39           HN       LYS  39   6.369   0.913   4.459
  313    HA   LYS  39           HA       LYS  39   8.281   2.185   4.021
  314   1HB   LYS  39           HB2      LYS  39   8.523   2.323   6.388
  315   2HB   LYS  39           HB1      LYS  39   9.126   0.670   6.495
  316   1HG   LYS  39           HG2      LYS  39  11.058   2.055   6.681
  317   2HG   LYS  39           HG1      LYS  39  11.086   1.457   5.026
  318   1HD   LYS  39           HD2      LYS  39   9.757   3.622   4.465
  319   2HD   LYS  39           HD1      LYS  39  10.339   4.188   6.021
  320   1HE   LYS  39           HE2      LYS  39  11.981   3.379   3.625
  321   2HE   LYS  39           HE1      LYS  39  11.952   4.940   4.437
  322   1HZ   LYS  39           HZ2      LYS  39  12.832   3.819   6.433
  323   2HZ   LYS  39           HZ1      LYS  39  12.991   2.386   5.534
  324   3HZ   LYS  39           HZ3      LYS  39  13.898   3.756   5.109
  325    H    ILE  40           HN       ILE  40   9.345   1.710   2.151
  326    HA   ILE  40           HA       ILE  40  10.723  -0.879   1.822
  327    HB   ILE  40           HB       ILE  40   9.879  -0.238  -0.236
  328   1HG1  ILE  40          HG12      ILE  40  12.541  -0.417  -0.121
  329   2HG1  ILE  40          HG11      ILE  40  11.720  -0.025  -1.628
  330   1HG2  ILE  40          HG23      ILE  40  10.313   2.503   0.795
  331   2HG2  ILE  40          HG22      ILE  40  10.435   2.312  -0.954
  332   3HG2  ILE  40          HG21      ILE  40   8.957   1.844  -0.117
  333   1HD1  ILE  40          HD12      ILE  40  12.733   2.084   0.300
  334   2HD1  ILE  40          HD11      ILE  40  13.679   1.480  -1.059
  335   3HD1  ILE  40          HD13      ILE  40  12.160   2.328  -1.348
  336    H    GLU  41           HN       GLU  41  12.972  -1.152   1.847
  337    HA   GLU  41           HA       GLU  41  14.804   1.058   1.867
  338   1HB   GLU  41           HB2      GLU  41  15.357   1.280   4.141
  339   2HB   GLU  41           HB1      GLU  41  13.596   1.187   4.151
  340   1HG   GLU  41           HG2      GLU  41  13.674  -1.178   4.726
  341   2HG   GLU  41           HG1      GLU  41  15.433  -1.187   4.588
  342    H    MET  42           HN       MET  42  14.154  -2.317   2.616
  343    HA   MET  42           HA       MET  42  16.784  -3.268   2.966
  344   1HB   MET  42           HB2      MET  42  14.465  -4.614   1.552
  345   2HB   MET  42           HB1      MET  42  15.922  -5.435   2.118
  346   1HG   MET  42           HG2      MET  42  14.049  -3.854   3.903
  347   2HG   MET  42           HG1      MET  42  14.012  -5.609   3.729
  348   1HE   MET  42           HE3      MET  42  14.465  -6.621   5.586
  349   2HE   MET  42           HE2      MET  42  15.912  -7.273   4.822
  350   3HE   MET  42           HE1      MET  42  15.987  -6.690   6.483
  351    H    GLY  43           HN       GLY  43  18.351  -4.070   1.493
  352   1HA   GLY  43           HA2      GLY  43  19.643  -3.933  -0.463
  353   2HA   GLY  43           HA1      GLY  43  18.126  -4.274  -1.300
  354    H    GLU  44           HN       GLU  44  17.858  -2.801  -2.872
  355    HA   GLU  44           HA       GLU  44  17.688   0.033  -2.235
  356   1HB   GLU  44           HB2      GLU  44  19.457   0.681  -3.933
  357   2HB   GLU  44           HB1      GLU  44  20.085  -0.033  -2.449
  358   1HG   GLU  44           HG2      GLU  44  21.238  -1.358  -3.919
  359   2HG   GLU  44           HG1      GLU  44  19.732  -2.278  -3.917
  360    H    THR  45           HN       THR  45  16.333  -2.385  -3.663
  361    HA   THR  45           HA       THR  45  15.477  -0.807  -6.047
  362    HB   THR  45           HB       THR  45  16.102  -3.775  -5.898
  363    HG1  THR  45           HG1      THR  45  17.306  -2.780  -7.897
  364   1HG2  THR  45          HG23      THR  45  14.065  -2.623  -7.365
  365   2HG2  THR  45          HG22      THR  45  15.403  -2.635  -8.510
  366   3HG2  THR  45          HG21      THR  45  14.868  -4.140  -7.761
  367    HA   PRO  46           HA       PRO  46  11.516  -1.280  -4.168
  368   1HB   PRO  46           HB2      PRO  46  10.274  -1.623  -6.776
  369   2HB   PRO  46           HB1      PRO  46  10.174  -0.246  -5.661
  370   1HG   PRO  46           HG2      PRO  46  11.682  -0.403  -8.111
  371   2HG   PRO  46           HG1      PRO  46  11.617   0.943  -6.967
  372   1HD   PRO  46           HD2      PRO  46  13.829  -0.811  -7.444
  373   2HD   PRO  46           HD1      PRO  46  13.715   0.465  -6.216
  374    H    GLU  47           HN       GLU  47  12.996  -3.607  -6.262
  375    HA   GLU  47           HA       GLU  47  10.951  -5.651  -5.954
  376   1HB   GLU  47           HB2      GLU  47  13.656  -5.437  -7.153
  377   2HB   GLU  47           HB1      GLU  47  13.253  -7.028  -6.511
  378   1HG   GLU  47           HG2      GLU  47  11.552  -7.367  -8.029
  379   2HG   GLU  47           HG1      GLU  47  11.191  -5.646  -8.167
  380    H    GLN  48           HN       GLN  48  14.320  -6.164  -4.955
  381    HA   GLN  48           HA       GLN  48  13.792  -7.833  -2.800
  382   1HB   GLN  48           HB2      GLN  48  15.980  -5.785  -3.189
  383   2HB   GLN  48           HB1      GLN  48  15.902  -6.802  -1.736
  384   1HG   GLN  48           HG2      GLN  48  15.606  -8.759  -3.462
  385   2HG   GLN  48           HG1      GLN  48  16.351  -7.624  -4.588
  386   1HE2  GLN  48          HE22      GLN  48  18.592  -9.278  -1.595
  387   2HE2  GLN  48          HE21      GLN  48  16.906  -9.476  -1.609
  388    H    ALA  49           HN       ALA  49  13.622  -4.337  -2.870
  389    HA   ALA  49           HA       ALA  49  13.345  -3.936  -0.069
  390   1HB   ALA  49           HB2      ALA  49  12.888  -2.355  -2.507
  391   2HB   ALA  49           HB1      ALA  49  11.838  -1.926  -1.162
  392   3HB   ALA  49           HB3      ALA  49  13.589  -1.864  -0.967
  393    H    VAL  50           HN       VAL  50  10.734  -3.801  -2.517
  394    HA   VAL  50           HA       VAL  50   8.690  -4.017  -0.526
  395    HB   VAL  50           HB       VAL  50   8.564  -3.150  -2.967
  396   1HG1  VAL  50          HG13      VAL  50   7.882  -6.079  -3.369
  397   2HG1  VAL  50          HG12      VAL  50   7.646  -4.801  -4.560
  398   3HG1  VAL  50          HG11      VAL  50   9.274  -5.248  -4.058
  399   1HG2  VAL  50          HG21      VAL  50   6.643  -4.094  -1.116
  400   2HG2  VAL  50          HG23      VAL  50   6.401  -2.922  -2.411
  401   3HG2  VAL  50          HG22      VAL  50   6.114  -4.636  -2.709
  402    H    VAL  51           HN       VAL  51   9.903  -6.433  -2.810
  403    HA   VAL  51           HA       VAL  51   8.364  -8.629  -2.065
  404    HB   VAL  51           HB       VAL  51  10.142  -8.356  -3.921
  405   1HG1  VAL  51          HG13      VAL  51  11.980  -7.810  -2.353
  406   2HG1  VAL  51          HG12      VAL  51  11.857  -9.432  -1.673
  407   3HG1  VAL  51          HG11      VAL  51  12.357  -9.214  -3.350
  408   1HG2  VAL  51          HG21      VAL  51   9.127 -10.660  -2.530
  409   2HG2  VAL  51          HG23      VAL  51   9.516 -10.488  -4.242
  410   3HG2  VAL  51          HG22      VAL  51  10.763 -10.992  -3.100
  411    H    ARG  52           HN       ARG  52  11.428  -7.537  -0.607
  412    HA   ARG  52           HA       ARG  52  11.470  -9.668   1.359
  413   1HB   ARG  52           HB2      ARG  52  12.993  -7.053   1.184
  414   2HB   ARG  52           HB1      ARG  52  13.335  -8.319   2.354
  415   1HG   ARG  52           HG2      ARG  52  13.160  -9.385  -0.344
  416   2HG   ARG  52           HG1      ARG  52  14.394  -8.132  -0.220
  417   1HD   ARG  52           HD2      ARG  52  15.616  -9.309   1.382
  418   2HD   ARG  52           HD1      ARG  52  14.221 -10.250   1.901
  419    HE   ARG  52           HE       ARG  52  14.635 -11.035  -0.735
  420   1HH1  ARG  52          HH21      ARG  52  15.956 -11.402   2.380
  421   2HH1  ARG  52          HH22      ARG  52  17.210 -12.490   1.889
  422   1HH2  ARG  52          HH11      ARG  52  16.501 -12.200  -1.492
  423   2HH2  ARG  52          HH12      ARG  52  17.519 -12.942  -0.304
  424    H    GLU  53           HN       GLU  53  10.406  -6.302   1.297
  425    HA   GLU  53           HA       GLU  53   9.716  -6.170   4.110
  426   1HB   GLU  53           HB2      GLU  53   8.586  -4.554   1.807
  427   2HB   GLU  53           HB1      GLU  53   8.464  -4.154   3.519
  428   1HG   GLU  53           HG2      GLU  53  11.219  -4.647   2.693
  429   2HG   GLU  53           HG1      GLU  53  10.471  -3.319   1.788
  430    H    LEU  54           HN       LEU  54   8.475  -7.716   1.401
  431    HA   LEU  54           HA       LEU  54   5.669  -7.751   2.156
  432   1HB   LEU  54           HB2      LEU  54   7.395  -8.666  -0.037
  433   2HB   LEU  54           HB1      LEU  54   6.143  -9.829   0.355
  434    HG   LEU  54           HG       LEU  54   5.352  -8.267  -1.372
  435   1HD1  LEU  54          HD13      LEU  54   4.084  -8.723   1.130
  436   2HD1  LEU  54          HD12      LEU  54   3.711  -7.078   0.626
  437   3HD1  LEU  54          HD11      LEU  54   3.328  -8.430  -0.433
  438   1HD2  LEU  54          HD21      LEU  54   6.351  -6.262   0.611
  439   2HD2  LEU  54          HD23      LEU  54   6.486  -6.260  -1.147
  440   3HD2  LEU  54          HD22      LEU  54   4.956  -5.835  -0.380
  441    H    GLN  55           HN       GLN  55   8.082 -10.312   1.779
  442    HA   GLN  55           HA       GLN  55   6.717 -12.290   3.287
  443   1HB   GLN  55           HB2      GLN  55   9.452 -12.780   3.740
  444   2HB   GLN  55           HB1      GLN  55   8.440 -13.504   2.496
  445   1HG   GLN  55           HG2      GLN  55   9.085 -11.886   0.878
  446   2HG   GLN  55           HG1      GLN  55   9.782 -10.816   2.104
  447   1HE2  GLN  55          HE22      GLN  55  11.883 -14.218   1.082
  448   2HE2  GLN  55          HE21      GLN  55  10.189 -14.232   0.964
  449    H    GLU  56           HN       GLU  56   9.363 -10.133   4.403
  450    HA   GLU  56           HA       GLU  56   9.500 -10.973   7.049
  451   1HB   GLU  56           HB2      GLU  56  10.089  -8.595   7.634
  452   2HB   GLU  56           HB1      GLU  56  10.995  -9.243   6.270
  453   1HG   GLU  56           HG2      GLU  56  10.367  -7.238   5.374
  454   2HG   GLU  56           HG1      GLU  56   8.962  -8.190   4.896
  455    H    GLU  57           HN       GLU  57   6.839  -9.364   5.500
  456    HA   GLU  57           HA       GLU  57   5.619  -8.495   8.008
  457   1HB   GLU  57           HB2      GLU  57   4.964  -8.348   5.118
  458   2HB   GLU  57           HB1      GLU  57   3.578  -8.431   6.208
  459   1HG   GLU  57           HG2      GLU  57   3.944  -6.349   7.018
  460   2HG   GLU  57           HG1      GLU  57   5.672  -6.635   7.150
  461    H    VAL  58           HN       VAL  58   3.620 -10.222   5.758
  462    HA   VAL  58           HA       VAL  58   2.726 -12.014   7.877
  463    HB   VAL  58           HB       VAL  58   2.006 -11.834   4.954
  464   1HG1  VAL  58          HG13      VAL  58   1.491 -13.926   6.581
  465   2HG1  VAL  58          HG12      VAL  58   0.098 -12.897   6.921
  466   3HG1  VAL  58          HG11      VAL  58   0.428 -13.420   5.268
  467   1HG2  VAL  58          HG22      VAL  58   0.816 -10.612   7.447
  468   2HG2  VAL  58          HG21      VAL  58   1.527  -9.754   6.081
  469   3HG2  VAL  58          HG23      VAL  58   0.003 -10.620   5.881
  470    H    GLY  59           HN       GLY  59   3.479 -12.973   4.513
  471   1HA   GLY  59           HA2      GLY  59   5.690 -14.312   4.352
  472   2HA   GLY  59           HA1      GLY  59   5.021 -15.241   5.688
  473    H    ILE  60           HN       ILE  60   3.439 -14.077   2.658
  474    HA   ILE  60           HA       ILE  60   2.409 -16.820   2.294
  475    HB   ILE  60           HB       ILE  60   1.143 -15.799   0.371
  476   1HG1  ILE  60          HG12      ILE  60   1.521 -13.059   1.176
  477   2HG1  ILE  60          HG11      ILE  60   3.070 -13.756   0.714
  478   1HG2  ILE  60          HG22      ILE  60   0.956 -15.154   3.222
  479   2HG2  ILE  60          HG21      ILE  60   0.156 -13.963   2.200
  480   3HG2  ILE  60          HG23      ILE  60  -0.310 -15.660   2.103
  481   1HD1  ILE  60          HD11      ILE  60   0.786 -14.399  -1.061
  482   2HD1  ILE  60          HD13      ILE  60   1.325 -12.721  -1.079
  483   3HD1  ILE  60          HD12      ILE  60   2.457 -14.015  -1.474
  484    H    THR  61           HN       THR  61   2.663 -15.782  -0.834
  485    HA   THR  61           HA       THR  61   5.515 -16.308  -1.174
  486    HB   THR  61           HB       THR  61   3.477 -18.459  -1.593
  487    HG1  THR  61           HG1      THR  61   5.900 -18.041  -0.349
  488   1HG2  THR  61          HG23      THR  61   6.024 -18.120  -3.206
  489   2HG2  THR  61          HG22      THR  61   5.098 -19.618  -3.111
  490   3HG2  THR  61          HG21      THR  61   4.382 -18.182  -3.842
  491    HA   PRO  62           HA       PRO  62   3.716 -16.011  -5.660
  492   1HB   PRO  62           HB2      PRO  62   0.932 -15.409  -5.515
  493   2HB   PRO  62           HB1      PRO  62   1.707 -16.835  -6.214
  494   1HG   PRO  62           HG2      PRO  62   0.258 -16.623  -3.697
  495   2HG   PRO  62           HG1      PRO  62   0.862 -18.075  -4.506
  496   1HD   PRO  62           HD2      PRO  62   1.912 -16.913  -2.150
  497   2HD   PRO  62           HD1      PRO  62   2.663 -18.188  -3.130
  498    H    GLN  63           HN       GLN  63   1.172 -14.138  -4.247
  499    HA   GLN  63           HA       GLN  63   0.720 -11.854  -4.499
  500   1HB   GLN  63           HB2      GLN  63   2.683 -12.344  -2.568
  501   2HB   GLN  63           HB1      GLN  63   3.299 -10.980  -3.491
  502   1HG   GLN  63           HG2      GLN  63   0.449 -10.698  -3.027
  503   2HG   GLN  63           HG1      GLN  63   1.307 -10.907  -1.505
  504   1HE2  GLN  63          HE22      GLN  63   2.958  -7.814  -3.590
  505   2HE2  GLN  63          HE21      GLN  63   2.956  -9.374  -4.241
  506    H    HIS  64           HN       HIS  64   1.156 -12.470  -6.930
  507    HA   HIS  64           HA       HIS  64   3.468 -11.645  -8.321
  508   1HB   HIS  64           HB2      HIS  64   0.850 -12.426  -8.963
  509   2HB   HIS  64           HB1      HIS  64   1.030 -10.831  -9.686
  510    HD1  HIS  64           HD1      HIS  64   0.874 -13.507 -11.368
  511    HD2  HIS  64           HD2      HIS  64   4.407 -11.522 -10.273
  512    HE1  HIS  64           HE1      HIS  64   2.672 -14.210 -13.030
  513    H    PHE  65           HN       PHE  65   4.383  -9.717  -7.639
  514    HA   PHE  65           HA       PHE  65   2.588  -7.404  -7.226
  515   1HB   PHE  65           HB2      PHE  65   5.001  -6.388  -6.620
  516   2HB   PHE  65           HB1      PHE  65   4.037  -7.322  -5.475
  517    HD1  PHE  65           HD1      PHE  65   6.784  -7.548  -7.967
  518    HD2  PHE  65           HD2      PHE  65   4.763  -9.462  -4.696
  519    HE1  PHE  65           HE1      PHE  65   8.589  -9.244  -7.846
  520    HE2  PHE  65           HE2      PHE  65   6.570 -11.156  -4.573
  521    HZ   PHE  65           HZ       PHE  65   8.482 -11.050  -6.149
  522    H    SER  66           HN       SER  66   2.700  -5.523  -8.342
  523    HA   SER  66           HA       SER  66   4.599  -5.233 -10.598
  524   1HB   SER  66           HB2      SER  66   1.950  -6.094 -10.995
  525   2HB   SER  66           HB1      SER  66   1.931  -4.371 -11.354
  526    HG   SER  66           HG       SER  66   2.558  -5.969 -13.080
  527    H    LEU  67           HN       LEU  67   5.001  -2.999 -11.013
  528    HA   LEU  67           HA       LEU  67   4.467  -1.229  -8.815
  529   1HB   LEU  67           HB2      LEU  67   6.459  -1.106 -10.362
  530   2HB   LEU  67           HB1      LEU  67   5.391  -0.432 -11.586
  531    HG   LEU  67           HG       LEU  67   6.801   1.111  -9.890
  532   1HD1  LEU  67          HD11      LEU  67   4.578   1.422 -11.626
  533   2HD1  LEU  67          HD13      LEU  67   4.249   2.384 -10.185
  534   3HD1  LEU  67          HD12      LEU  67   5.727   2.655 -11.105
  535   1HD2  LEU  67          HD23      LEU  67   4.139   0.670  -8.495
  536   2HD2  LEU  67          HD22      LEU  67   5.722   0.223  -7.859
  537   3HD2  LEU  67          HD21      LEU  67   5.310   1.923  -8.083
  538    H    PHE  68           HN       PHE  68   3.451  -0.789 -12.203
  539    HA   PHE  68           HA       PHE  68   1.375  -0.121 -13.057
  540   1HB   PHE  68           HB2      PHE  68  -0.357  -0.703 -11.744
  541   2HB   PHE  68           HB1      PHE  68   0.709  -0.852 -10.369
  542    HD1  PHE  68           HD1      PHE  68  -1.269   1.625 -12.337
  543    HD2  PHE  68           HD2      PHE  68   0.591   0.701  -8.577
  544    HE1  PHE  68           HE1      PHE  68  -2.326   3.626 -11.324
  545    HE2  PHE  68           HE2      PHE  68  -0.467   2.702  -7.562
  546    HZ   PHE  68           HZ       PHE  68  -1.925   4.165  -8.936
  547    H    GLU  69           HN       GLU  69   2.361   1.733 -10.161
  548    HA   GLU  69           HA       GLU  69   3.407   3.984 -11.366
  549   1HB   GLU  69           HB2      GLU  69   1.234   4.240 -12.582
  550   2HB   GLU  69           HB1      GLU  69   0.413   4.375 -11.028
  551   1HG   GLU  69           HG2      GLU  69   0.767   6.616 -11.660
  552   2HG   GLU  69           HG1      GLU  69   2.105   6.289 -10.558
  553    H    LYS  70           HN       LYS  70   4.286   5.112  -9.731
  554    HA   LYS  70           HA       LYS  70   2.929   4.963  -7.072
  555   1HB   LYS  70           HB2      LYS  70   5.036   4.771  -6.033
  556   2HB   LYS  70           HB1      LYS  70   5.168   3.723  -7.438
  557   1HG   LYS  70           HG2      LYS  70   6.199   5.655  -8.686
  558   2HG   LYS  70           HG1      LYS  70   6.229   6.549  -7.165
  559   1HD   LYS  70           HD2      LYS  70   7.364   3.824  -7.028
  560   2HD   LYS  70           HD1      LYS  70   8.268   4.956  -8.033
  561   1HE   LYS  70           HE2      LYS  70   7.377   6.119  -5.489
  562   2HE   LYS  70           HE1      LYS  70   8.481   4.758  -5.289
  563   1HZ   LYS  70           HZ1      LYS  70   9.236   6.617  -7.363
  564   2HZ   LYS  70           HZ3      LYS  70   9.243   7.281  -5.802
  565   3HZ   LYS  70           HZ2      LYS  70  10.179   5.905  -6.142
  566    H    LEU  71           HN       LEU  71   4.287   6.856  -5.664
  567    HA   LEU  71           HA       LEU  71   4.296   9.323  -7.321
  568   1HB   LEU  71           HB2      LEU  71   2.952  10.453  -5.454
  569   2HB   LEU  71           HB1      LEU  71   2.058   9.379  -6.525
  570    HG   LEU  71           HG       LEU  71   2.210   7.566  -4.869
  571   1HD1  LEU  71          HD13      LEU  71   3.886   9.605  -3.403
  572   2HD1  LEU  71          HD12      LEU  71   3.039   8.332  -2.523
  573   3HD1  LEU  71          HD11      LEU  71   4.251   7.912  -3.733
  574   1HD2  LEU  71          HD22      LEU  71   0.378   9.333  -4.768
  575   2HD2  LEU  71          HD21      LEU  71   0.676   8.481  -3.253
  576   3HD2  LEU  71          HD23      LEU  71   1.309  10.111  -3.486
  577    H    GLU  72           HN       GLU  72   4.677  11.210  -5.466
  578    HA   GLU  72           HA       GLU  72   6.581  10.407  -3.406
  579   1HB   GLU  72           HB2      GLU  72   7.803  10.533  -5.751
  580   2HB   GLU  72           HB1      GLU  72   7.715  12.272  -5.469
  581   1HG   GLU  72           HG2      GLU  72   8.697  11.782  -3.146
  582   2HG   GLU  72           HG1      GLU  72   9.083  10.177  -3.770
  583    H    TYR  73           HN       TYR  73   5.230  11.585  -2.008
  584    HA   TYR  73           HA       TYR  73   4.589  14.388  -2.651
  585   1HB   TYR  73           HB2      TYR  73   3.323  12.386  -1.168
  586   2HB   TYR  73           HB1      TYR  73   3.938  13.501   0.052
  587    HD1  TYR  73           HD2      TYR  73   2.287  13.650  -3.322
  588    HD2  TYR  73           HD1      TYR  73   2.567  15.276   0.642
  589    HE1  TYR  73           HE2      TYR  73   0.449  15.233  -3.841
  590    HE2  TYR  73           HE1      TYR  73   0.730  16.857   0.124
  591    HH   TYR  73           HH       TYR  73  -0.517  17.743  -1.539
  592    H    GLU  74           HN       GLU  74   5.322  16.149  -1.311
  593    HA   GLU  74           HA       GLU  74   7.726  15.425   0.299
  594   1HB   GLU  74           HB2      GLU  74   7.629  17.032  -1.976
  595   2HB   GLU  74           HB1      GLU  74   7.683  18.186  -0.643
  596   1HG   GLU  74           HG2      GLU  74   9.753  17.449   0.100
  597   2HG   GLU  74           HG1      GLU  74   9.533  15.834  -0.575
  598    H    PHE  75           HN       PHE  75   7.862  16.271   2.338
  599    HA   PHE  75           HA       PHE  75   5.565  17.940   3.269
  600   1HB   PHE  75           HB2      PHE  75   7.138  15.721   4.416
  601   2HB   PHE  75           HB1      PHE  75   6.849  17.043   5.536
  602    HD1  PHE  75           HD2      PHE  75   4.502  16.463   2.790
  603    HD2  PHE  75           HD1      PHE  75   5.365  15.585   6.907
  604    HE1  PHE  75           HE2      PHE  75   2.178  15.654   3.107
  605    HE2  PHE  75           HE1      PHE  75   3.043  14.775   7.219
  606    HZ   PHE  75           HZ       PHE  75   1.449  14.810   5.320
  607    HA   PRO  76           HA       PRO  76   7.900  21.469   4.405
  608   1HB   PRO  76           HB2      PRO  76   8.050  20.958   7.275
  609   2HB   PRO  76           HB1      PRO  76   7.140  22.209   6.414
  610   1HG   PRO  76           HG2      PRO  76   6.108  19.790   7.600
  611   2HG   PRO  76           HG1      PRO  76   5.205  21.035   6.721
  612   1HD   PRO  76           HD2      PRO  76   5.743  18.390   5.843
  613   2HD   PRO  76           HD1      PRO  76   5.044  19.701   4.877
  614    H    ASP  77           HN       ASP  77   8.894  18.535   6.169
  615    HA   ASP  77           HA       ASP  77  11.639  18.872   5.195
  616   1HB   ASP  77           HB2      ASP  77  10.862  19.421   8.028
  617   2HB   ASP  77           HB1      ASP  77  12.334  18.485   7.765
  618    H    ARG  78           HN       ARG  78   9.622  17.011   4.737
  619    HA   ARG  78           HA       ARG  78  10.957  14.572   5.724
  620   1HB   ARG  78           HB2      ARG  78   8.693  15.492   6.990
  621   2HB   ARG  78           HB1      ARG  78   8.012  14.426   5.763
  622   1HG   ARG  78           HG2      ARG  78   8.479  13.241   7.885
  623   2HG   ARG  78           HG1      ARG  78   9.398  12.571   6.540
  624   1HD   ARG  78           HD2      ARG  78  11.179  12.789   7.940
  625   2HD   ARG  78           HD1      ARG  78  11.123  14.489   7.495
  626    HE   ARG  78           HE       ARG  78  10.847  13.731  10.093
  627   1HH1  ARG  78          HH11      ARG  78   9.782  16.301   8.490
  628   2HH1  ARG  78          HH12      ARG  78   8.277  16.507   9.323
  629   1HH2  ARG  78          HH21      ARG  78   8.395  13.403  10.863
  630   2HH2  ARG  78          HH22      ARG  78   7.492  14.868  10.665
  631    H    HIS  79           HN       HIS  79  11.592  13.950   3.684
  632    HA   HIS  79           HA       HIS  79   9.810  14.179   1.373
  633   1HB   HIS  79           HB2      HIS  79  12.548  13.062   1.892
  634   2HB   HIS  79           HB1      HIS  79  11.687  12.534   0.447
  635    HD1  HIS  79           HD1      HIS  79  13.286  13.818  -1.151
  636    HD2  HIS  79           HD2      HIS  79  11.299  16.264   1.623
  637    HE1  HIS  79           HE1      HIS  79  13.642  16.233  -1.890
  638    H    ILE  80           HN       ILE  80   8.458  12.530   0.572
  639    HA   ILE  80           HA       ILE  80   8.669   9.882   1.940
  640    HB   ILE  80           HB       ILE  80   6.168  11.530   1.496
  641   1HG1  ILE  80          HG12      ILE  80   5.853  10.984   3.927
  642   2HG1  ILE  80          HG11      ILE  80   7.434  10.211   3.921
  643   1HG2  ILE  80          HG21      ILE  80   5.800   9.202   0.724
  644   2HG2  ILE  80          HG23      ILE  80   6.388   8.605   2.276
  645   3HG2  ILE  80          HG22      ILE  80   4.899   9.545   2.200
  646   1HD1  ILE  80          HD11      ILE  80   7.556  12.868   2.751
  647   2HD1  ILE  80          HD13      ILE  80   6.905  12.916   4.389
  648   3HD1  ILE  80          HD12      ILE  80   8.486  12.195   4.091
  649    H    THR  81           HN       THR  81   7.877   8.116   0.748
  650    HA   THR  81           HA       THR  81   7.143   8.560  -2.093
  651    HB   THR  81           HB       THR  81   9.128   6.414  -1.427
  652    HG1  THR  81           HG1      THR  81   9.755   9.112  -2.050
  653   1HG2  THR  81          HG21      THR  81   7.877   7.536  -3.767
  654   2HG2  THR  81          HG23      THR  81   9.628   7.698  -3.896
  655   3HG2  THR  81          HG22      THR  81   8.906   6.110  -3.642
  656    H    LEU  82           HN       LEU  82   5.882   6.750  -2.906
  657    HA   LEU  82           HA       LEU  82   5.281   4.644  -0.888
  658   1HB   LEU  82           HB2      LEU  82   3.624   6.726  -1.052
  659   2HB   LEU  82           HB1      LEU  82   2.994   5.802  -2.418
  660    HG   LEU  82           HG       LEU  82   3.424   3.961  -0.303
  661   1HD1  LEU  82          HD13      LEU  82   2.700   6.624   0.632
  662   2HD1  LEU  82          HD12      LEU  82   1.459   5.434   1.032
  663   3HD1  LEU  82          HD11      LEU  82   3.122   5.189   1.567
  664   1HD2  LEU  82          HD22      LEU  82   0.895   5.215  -1.422
  665   2HD2  LEU  82          HD21      LEU  82   1.710   3.783  -2.052
  666   3HD2  LEU  82          HD23      LEU  82   0.951   3.738  -0.461
  667    H    TRP  83           HN       TRP  83   6.647   3.418  -2.466
  668    HA   TRP  83           HA       TRP  83   6.040   3.034  -5.184
  669   1HB   TRP  83           HB2      TRP  83   6.994   1.020  -3.129
  670   2HB   TRP  83           HB1      TRP  83   6.962   0.706  -4.864
  671    HD1  TRP  83           HD1      TRP  83   8.760   2.753  -2.210
  672    HE1  TRP  83           HE1      TRP  83  10.913   3.791  -3.222
  673    HE3  TRP  83           HE3      TRP  83   8.052   1.521  -7.116
  674    HZ2  TRP  83           HZ2      TRP  83  12.132   4.037  -5.801
  675    HZ3  TRP  83           HZ3      TRP  83   9.724   2.169  -8.828
  676    HH2  TRP  83           HH2      TRP  83  11.760   3.425  -8.178
  677    H    PHE  84           HN       PHE  84   4.057   2.606  -6.022
  678    HA   PHE  84           HA       PHE  84   2.069   1.100  -4.434
  679   1HB   PHE  84           HB2      PHE  84   2.016   2.788  -6.904
  680   2HB   PHE  84           HB1      PHE  84   0.750   1.582  -6.692
  681    HD1  PHE  84           HD2      PHE  84   2.314   4.593  -5.190
  682    HD2  PHE  84           HD1      PHE  84  -0.942   1.796  -5.012
  683    HE1  PHE  84           HE2      PHE  84   1.130   6.071  -3.586
  684    HE2  PHE  84           HE1      PHE  84  -2.125   3.272  -3.410
  685    HZ   PHE  84           HZ       PHE  84  -1.091   5.408  -2.698
  686    H    TRP  85           HN       TRP  85   3.572  -0.907  -4.728
  687    HA   TRP  85           HA       TRP  85   3.585  -2.095  -7.389
  688   1HB   TRP  85           HB2      TRP  85   4.425  -3.009  -4.652
  689   2HB   TRP  85           HB1      TRP  85   4.310  -4.173  -5.972
  690    HD1  TRP  85           HD1      TRP  85   6.298  -1.158  -4.783
  691    HE1  TRP  85           HE1      TRP  85   8.433  -0.893  -6.234
  692    HE3  TRP  85           HE3      TRP  85   5.318  -4.669  -8.361
  693    HZ2  TRP  85           HZ2      TRP  85   9.536  -2.052  -8.610
  694    HZ3  TRP  85           HZ3      TRP  85   6.927  -5.068 -10.204
  695    HH2  TRP  85           HH2      TRP  85   9.033  -3.765 -10.332
  696    H    LEU  86           HN       LEU  86   1.268  -2.176  -7.919
  697    HA   LEU  86           HA       LEU  86  -0.626  -3.468  -6.167
  698   1HB   LEU  86           HB2      LEU  86  -0.609  -2.591  -9.021
  699   2HB   LEU  86           HB1      LEU  86  -1.832  -3.766  -8.538
  700    HG   LEU  86           HG       LEU  86  -2.768  -1.566  -8.237
  701   1HD1  LEU  86          HD11      LEU  86  -2.895  -3.417  -6.357
  702   2HD1  LEU  86          HD13      LEU  86  -1.950  -2.249  -5.434
  703   3HD1  LEU  86          HD12      LEU  86  -3.539  -1.804  -6.055
  704   1HD2  LEU  86          HD23      LEU  86  -0.132  -0.825  -7.772
  705   2HD2  LEU  86          HD22      LEU  86  -1.538   0.228  -7.609
  706   3HD2  LEU  86          HD21      LEU  86  -0.898  -0.615  -6.197
  707    H    VAL  87           HN       VAL  87  -0.992  -5.606  -5.842
  708    HA   VAL  87           HA       VAL  87   0.295  -7.502  -7.760
  709    HB   VAL  87           HB       VAL  87   1.154  -8.737  -6.042
  710   1HG1  VAL  87          HG12      VAL  87   0.640  -6.025  -4.920
  711   2HG1  VAL  87          HG11      VAL  87   1.100  -7.275  -3.777
  712   3HG1  VAL  87          HG13      VAL  87   2.158  -6.891  -5.133
  713   1HG2  VAL  87          HG21      VAL  87  -1.401  -8.147  -4.520
  714   2HG2  VAL  87          HG23      VAL  87  -0.964  -9.655  -5.323
  715   3HG2  VAL  87          HG22      VAL  87  -0.086  -9.136  -3.887
  716    H    GLU  88           HN       GLU  88  -0.941  -9.533  -8.184
  717    HA   GLU  88           HA       GLU  88  -3.793  -9.371  -7.340
  718   1HB   GLU  88           HB2      GLU  88  -2.895  -9.601 -10.218
  719   2HB   GLU  88           HB1      GLU  88  -4.563  -9.708  -9.660
  720   1HG   GLU  88           HG2      GLU  88  -4.750  -7.466  -9.630
  721   2HG   GLU  88           HG1      GLU  88  -3.324  -7.315  -8.610
  722    H    ARG  89           HN       ARG  89  -1.732 -11.431  -6.609
  723    HA   ARG  89           HA       ARG  89  -3.419 -13.696  -7.291
  724   1HB   ARG  89           HB2      ARG  89  -2.222 -14.778  -8.893
  725   2HB   ARG  89           HB1      ARG  89  -1.646 -13.156  -9.248
  726   1HG   ARG  89           HG2      ARG  89   0.416 -14.054  -9.010
  727   2HG   ARG  89           HG1      ARG  89   0.107 -13.975  -7.276
  728   1HD   ARG  89           HD2      ARG  89   0.298 -16.220  -7.229
  729   2HD   ARG  89           HD1      ARG  89  -1.173 -16.316  -8.193
  730    HE   ARG  89           HE       ARG  89   0.820 -15.822 -10.059
  731   1HH1  ARG  89          HH21      ARG  89   2.564 -17.298  -8.062
  732   2HH1  ARG  89          HH22      ARG  89   2.428 -18.927  -8.632
  733   1HH2  ARG  89          HH11      ARG  89  -0.355 -18.285 -10.597
  734   2HH2  ARG  89          HH12      ARG  89   0.774 -19.487 -10.069
  735    H    TRP  90           HN       TRP  90  -2.624 -12.622  -4.784
  736    HA   TRP  90           HA       TRP  90  -0.469 -14.176  -3.668
  737   1HB   TRP  90           HB2      TRP  90  -1.032 -13.295  -1.583
  738   2HB   TRP  90           HB1      TRP  90  -1.583 -12.045  -2.689
  739    HD1  TRP  90           HD1      TRP  90  -2.998 -15.129  -0.849
  740    HE1  TRP  90           HE1      TRP  90  -5.474 -14.661  -0.223
  741    HE3  TRP  90           HE3      TRP  90  -3.554 -10.552  -3.036
  742    HZ2  TRP  90           HZ2      TRP  90  -7.398 -12.576  -0.624
  743    HZ3  TRP  90           HZ3      TRP  90  -5.712  -9.344  -2.897
  744    HH2  TRP  90           HH2      TRP  90  -7.634 -10.350  -1.695
  745    H    GLU  91           HN       GLU  91  -0.677 -15.987  -2.157
  746    HA   GLU  91           HA       GLU  91  -2.552 -17.956  -3.197
  747   1HB   GLU  91           HB2      GLU  91  -1.456 -19.474  -1.546
  748   2HB   GLU  91           HB1      GLU  91  -0.298 -18.636  -2.574
  749   1HG   GLU  91           HG2      GLU  91   0.266 -17.089  -0.842
  750   2HG   GLU  91           HG1      GLU  91  -1.108 -17.585   0.144
  751    H    GLY  92           HN       GLY  92  -2.441 -18.866  -0.055
  752   1HA   GLY  92           HA2      GLY  92  -5.184 -18.606   0.435
  753   2HA   GLY  92           HA1      GLY  92  -3.984 -18.819   1.705
  754    H    GLU  93           HN       GLU  93  -2.616 -16.524   1.840
  755    HA   GLU  93           HA       GLU  93  -4.660 -14.347   2.006
  756   1HB   GLU  93           HB2      GLU  93  -3.722 -13.724   4.212
  757   2HB   GLU  93           HB1      GLU  93  -4.351 -15.367   4.238
  758   1HG   GLU  93           HG2      GLU  93  -1.895 -16.015   3.560
  759   2HG   GLU  93           HG1      GLU  93  -1.499 -14.433   4.234
  760    HA   PRO  94           HA       PRO  94  -1.501 -11.754   0.351
  761   1HB   PRO  94           HB2      PRO  94  -1.991  -9.432   1.856
  762   2HB   PRO  94           HB1      PRO  94  -2.832  -9.896   0.370
  763   1HG   PRO  94           HG2      PRO  94  -3.854  -9.875   3.102
  764   2HG   PRO  94           HG1      PRO  94  -4.746 -10.129   1.595
  765   1HD   PRO  94           HD2      PRO  94  -3.968 -12.100   3.551
  766   2HD   PRO  94           HD1      PRO  94  -4.873 -12.363   2.048
  767    H    TRP  95           HN       TRP  95   0.057  -9.781   1.427
  768    HA   TRP  95           HA       TRP  95   1.041 -10.310   4.066
  769   1HB   TRP  95           HB2      TRP  95   3.126 -11.405   3.598
  770   2HB   TRP  95           HB1      TRP  95   1.866 -12.361   2.829
  771    HD1  TRP  95           HD1      TRP  95   1.801  -9.857   0.475
  772    HE1  TRP  95           HE1      TRP  95   3.538 -10.116  -1.440
  773    HE3  TRP  95           HE3      TRP  95   5.012 -13.172   2.658
  774    HZ2  TRP  95           HZ2      TRP  95   5.944 -11.558  -1.944
  775    HZ3  TRP  95           HZ3      TRP  95   7.008 -13.979   1.438
  776    HH2  TRP  95           HH2      TRP  95   7.484 -13.174  -0.858
  777    H    GLY  96           HN       GLY  96   0.377  -8.069   2.207
  778   1HA   GLY  96           HA2      GLY  96   3.033  -6.693   2.249
  779   2HA   GLY  96           HA1      GLY  96   1.772  -6.326   1.071
  780    H    LYS  97           HN       LYS  97   0.283  -6.856   4.006
  781    HA   LYS  97           HA       LYS  97  -0.269  -4.011   4.322
  782   1HB   LYS  97           HB2      LYS  97  -1.625  -4.760   6.283
  783   2HB   LYS  97           HB1      LYS  97  -2.031  -5.633   4.802
  784   1HG   LYS  97           HG2      LYS  97  -1.060  -7.603   5.528
  785   2HG   LYS  97           HG1      LYS  97   0.100  -6.773   6.563
  786   1HD   LYS  97           HD2      LYS  97  -1.389  -6.560   8.307
  787   2HD   LYS  97           HD1      LYS  97  -2.792  -6.508   7.239
  788   1HE   LYS  97           HE2      LYS  97  -2.676  -8.886   6.845
  789   2HE   LYS  97           HE1      LYS  97  -1.126  -9.001   7.678
  790   1HZ   LYS  97           HZ1      LYS  97  -2.239  -8.271   9.717
  791   2HZ   LYS  97           HZ3      LYS  97  -3.726  -8.256   8.904
  792   3HZ   LYS  97           HZ2      LYS  97  -2.894  -9.721   9.120
  793    H    GLU  98           HN       GLU  98   0.649  -2.609   5.808
  794    HA   GLU  98           HA       GLU  98   3.095  -3.496   7.124
  795   1HB   GLU  98           HB2      GLU  98   2.723  -1.172   6.180
  796   2HB   GLU  98           HB1      GLU  98   1.603  -0.885   7.504
  797   1HG   GLU  98           HG2      GLU  98   4.244  -0.272   7.635
  798   2HG   GLU  98           HG1      GLU  98   3.274  -0.664   9.047
  799    H    GLY  99           HN       GLY  99   1.586  -1.416   9.286
  800   1HA   GLY  99           HA2      GLY  99   0.928  -3.671  11.067
  801   2HA   GLY  99           HA1      GLY  99   1.114  -1.990  11.572
  802    H    GLN 100           HN       GLN 100  -0.640  -2.649   8.683
  803    HA   GLN 100           HA       GLN 100  -3.111  -1.643   9.944
  804   1HB   GLN 100           HB2      GLN 100  -3.753  -0.967   7.795
  805   2HB   GLN 100           HB1      GLN 100  -2.003  -0.787   7.738
  806   1HG   GLN 100           HG2      GLN 100  -1.737  -2.830   6.524
  807   2HG   GLN 100           HG1      GLN 100  -3.411  -3.302   6.813
  808   1HE2  GLN 100          HE22      GLN 100  -3.199   0.004   4.417
  809   2HE2  GLN 100          HE21      GLN 100  -2.453   0.013   5.942
  810    HA   PRO 101           HA       PRO 101  -5.312  -5.415   9.886
  811   1HB   PRO 101           HB2      PRO 101  -7.653  -4.479   8.531
  812   2HB   PRO 101           HB1      PRO 101  -7.404  -4.614  10.277
  813   1HG   PRO 101           HG2      PRO 101  -7.553  -2.202   8.710
  814   2HG   PRO 101           HG1      PRO 101  -7.287  -2.346  10.453
  815   1HD   PRO 101           HD2      PRO 101  -5.365  -1.649   8.397
  816   2HD   PRO 101           HD1      PRO 101  -5.126  -1.699  10.152
  817    H    GLY 102           HN       GLY 102  -5.595  -3.602   6.824
  818   1HA   GLY 102           HA2      GLY 102  -5.518  -4.341   4.597
  819   2HA   GLY 102           HA1      GLY 102  -4.508  -5.661   5.198
  820    H    GLU 103           HN       GLU 103  -7.526  -4.921   3.841
  821    HA   GLU 103           HA       GLU 103  -8.382  -7.725   4.385
  822   1HB   GLU 103           HB2      GLU 103 -10.758  -6.855   4.735
  823   2HB   GLU 103           HB1      GLU 103  -9.628  -6.580   6.060
  824   1HG   GLU 103           HG2      GLU 103  -9.173  -4.295   4.997
  825   2HG   GLU 103           HG1      GLU 103 -10.598  -4.582   4.000
  826    H    TRP 104           HN       TRP 104  -9.250  -8.702   2.608
  827    HA   TRP 104           HA       TRP 104  -9.078  -7.582   0.041
  828   1HB   TRP 104           HB2      TRP 104 -11.267  -9.549   0.709
  829   2HB   TRP 104           HB1      TRP 104 -10.282  -9.447  -0.751
  830    HD1  TRP 104           HD1      TRP 104  -7.436  -9.530   0.142
  831    HE1  TRP 104           HE1      TRP 104  -6.390 -11.508   1.455
  832    HE3  TRP 104           HE3      TRP 104 -11.692 -11.580   2.088
  833    HZ2  TRP 104           HZ2      TRP 104  -7.295 -13.662   3.111
  834    HZ3  TRP 104           HZ3      TRP 104 -11.570 -13.593   3.529
  835    HH2  TRP 104           HH2      TRP 104  -9.379 -14.636   4.044
  836    H    MET 105           HN       MET 105 -10.250  -6.052  -0.962
  837    HA   MET 105           HA       MET 105 -12.901  -5.312   0.204
  838   1HB   MET 105           HB2      MET 105 -10.742  -3.715   0.236
  839   2HB   MET 105           HB1      MET 105 -11.297  -3.359  -1.402
  840   1HG   MET 105           HG2      MET 105 -13.593  -3.336   0.265
  841   2HG   MET 105           HG1      MET 105 -12.347  -2.404   1.097
  842   1HE   MET 105           HE1      MET 105 -14.969  -1.403   0.268
  843   2HE   MET 105           HE3      MET 105 -15.054  -0.294  -1.106
  844   3HE   MET 105           HE2      MET 105 -15.224  -2.029  -1.359
  845    H    SER 106           HN       SER 106 -14.489  -5.941  -1.216
  846    HA   SER 106           HA       SER 106 -13.830  -6.496  -4.008
  847   1HB   SER 106           HB2      SER 106 -15.782  -7.386  -2.239
  848   2HB   SER 106           HB1      SER 106 -16.682  -6.394  -3.385
  849    HG   SER 106           HG       SER 106 -14.755  -8.289  -4.216
  850    H    LEU 107           HN       LEU 107 -13.308  -3.815  -3.520
  851    HA   LEU 107           HA       LEU 107 -15.580  -2.201  -4.406
  852   1HB   LEU 107           HB2      LEU 107 -14.247  -0.889  -3.055
  853   2HB   LEU 107           HB1      LEU 107 -12.766  -1.715  -3.532
  854    HG   LEU 107           HG       LEU 107 -14.179  -0.065  -5.588
  855   1HD1  LEU 107          HD11      LEU 107 -13.180   0.958  -3.045
  856   2HD1  LEU 107          HD13      LEU 107 -12.365   1.686  -4.426
  857   3HD1  LEU 107          HD12      LEU 107 -14.118   1.777  -4.293
  858   1HD2  LEU 107          HD21      LEU 107 -12.158  -1.404  -6.119
  859   2HD2  LEU 107          HD23      LEU 107 -11.852   0.318  -6.301
  860   3HD2  LEU 107          HD22      LEU 107 -11.266  -0.532  -4.874
  861    H    VAL 108           HN       VAL 108 -15.485  -0.990  -6.469
  862    HA   VAL 108           HA       VAL 108 -13.988  -2.526  -8.554
  863    HB   VAL 108           HB       VAL 108 -16.684  -1.162  -8.606
  864   1HG1  VAL 108          HG11      VAL 108 -14.853  -1.949 -10.868
  865   2HG1  VAL 108          HG13      VAL 108 -16.604  -1.928 -11.080
  866   3HG1  VAL 108          HG12      VAL 108 -15.750  -0.445 -10.650
  867   1HG2  VAL 108          HG23      VAL 108 -15.643  -3.961  -9.093
  868   2HG2  VAL 108          HG22      VAL 108 -16.804  -3.434  -7.874
  869   3HG2  VAL 108          HG21      VAL 108 -17.264  -3.459  -9.576
  870    H    GLY 109           HN       GLY 109 -12.616  -1.378  -9.864
  871   1HA   GLY 109           HA2      GLY 109 -11.212   0.461 -10.372
  872   2HA   GLY 109           HA1      GLY 109 -12.749   1.181 -10.852
  873    H    LEU 110           HN       LEU 110 -10.569   0.738  -8.107
  874    HA   LEU 110           HA       LEU 110 -11.769   2.154  -6.094
  875   1HB   LEU 110           HB2      LEU 110  -9.107   1.444  -6.746
  876   2HB   LEU 110           HB1      LEU 110  -9.100   3.154  -6.297
  877    HG   LEU 110           HG       LEU 110 -10.626   1.168  -4.645
  878   1HD1  LEU 110          HD11      LEU 110  -7.679   1.865  -4.399
  879   2HD1  LEU 110          HD13      LEU 110  -8.612   0.968  -3.200
  880   3HD1  LEU 110          HD12      LEU 110  -8.338   0.280  -4.801
  881   1HD2  LEU 110          HD21      LEU 110  -9.765   3.986  -4.537
  882   2HD2  LEU 110          HD23      LEU 110 -11.126   3.197  -3.739
  883   3HD2  LEU 110          HD22      LEU 110  -9.512   3.099  -3.034
  884    H    ASN 111           HN       ASN 111 -11.391   4.408  -5.351
  885    HA   ASN 111           HA       ASN 111 -10.921   6.465  -7.374
  886   1HB   ASN 111           HB2      ASN 111 -13.424   5.514  -7.429
  887   2HB   ASN 111           HB1      ASN 111 -13.609   6.633  -6.075
  888   1HD2  ASN 111          HD21      ASN 111 -13.885   8.824  -6.601
  889   2HD2  ASN 111          HD22      ASN 111 -13.642   9.479  -8.148
  890    H    ALA 112           HN       ALA 112 -10.678   8.542  -6.349
  891    HA   ALA 112           HA       ALA 112  -9.663   8.536  -3.710
  892   1HB   ALA 112           HB2      ALA 112  -9.334  10.340  -5.482
  893   2HB   ALA 112           HB1      ALA 112 -10.937  10.935  -5.051
  894   3HB   ALA 112           HB3      ALA 112  -9.644  10.933  -3.850
  895    H    ASP 113           HN       ASP 113 -12.899   8.645  -4.903
  896    HA   ASP 113           HA       ASP 113 -14.417   9.910  -2.977
  897   1HB   ASP 113           HB2      ASP 113 -14.832   7.877  -4.911
  898   2HB   ASP 113           HB1      ASP 113 -15.532   7.284  -3.409
  899    H    ASP 114           HN       ASP 114 -12.745   6.823  -2.693
  900    HA   ASP 114           HA       ASP 114 -13.454   6.747   0.207
  901   1HB   ASP 114           HB2      ASP 114 -12.781   4.537  -1.756
  902   2HB   ASP 114           HB1      ASP 114 -12.918   4.279  -0.012
  903    H    PHE 115           HN       PHE 115 -10.961   7.320  -1.992
  904    HA   PHE 115           HA       PHE 115  -8.815   6.420  -0.136
  905   1HB   PHE 115           HB2      PHE 115  -9.076   6.487  -2.945
  906   2HB   PHE 115           HB1      PHE 115  -7.874   7.706  -2.542
  907    HD1  PHE 115           HD2      PHE 115  -6.212   6.824  -0.512
  908    HD2  PHE 115           HD1      PHE 115  -8.236   4.393  -3.406
  909    HE1  PHE 115           HE2      PHE 115  -4.532   5.028  -0.184
  910    HE2  PHE 115           HE1      PHE 115  -6.558   2.602  -3.088
  911    HZ   PHE 115           HZ       PHE 115  -4.702   2.918  -1.475
  912    HA   PRO 116           HA       PRO 116  -8.667  10.540   1.569
  913   1HB   PRO 116           HB2      PRO 116  -5.901   9.947   2.286
  914   2HB   PRO 116           HB1      PRO 116  -7.293  10.186   3.342
  915   1HG   PRO 116           HG2      PRO 116  -6.021   7.710   2.740
  916   2HG   PRO 116           HG1      PRO 116  -7.523   7.934   3.645
  917   1HD   PRO 116           HD2      PRO 116  -7.202   6.830   1.002
  918   2HD   PRO 116           HD1      PRO 116  -8.704   7.044   1.916
  919    HA   PRO 117           HA       PRO 117  -6.673  12.843  -1.612
  920   1HB   PRO 117           HB2      PRO 117  -6.093  15.054   0.123
  921   2HB   PRO 117           HB1      PRO 117  -7.429  14.899  -1.025
  922   1HG   PRO 117           HG2      PRO 117  -7.558  14.791   1.857
  923   2HG   PRO 117           HG1      PRO 117  -8.891  14.651   0.704
  924   1HD   PRO 117           HD2      PRO 117  -7.710  12.559   2.297
  925   2HD   PRO 117           HD1      PRO 117  -9.048  12.424   1.138
  926    H    ALA 118           HN       ALA 118  -5.110  12.319   1.505
  927    HA   ALA 118           HA       ALA 118  -2.593  13.419   1.229
  928   1HB   ALA 118           HB1      ALA 118  -3.562  10.839   2.375
  929   2HB   ALA 118           HB3      ALA 118  -1.821  11.030   2.163
  930   3HB   ALA 118           HB2      ALA 118  -2.718  12.173   3.163
  931    H    ASN 119           HN       ASN 119  -3.650  10.337  -0.227
  932    HA   ASN 119           HA       ASN 119  -1.202  10.387  -1.925
  933   1HB   ASN 119           HB2      ASN 119  -2.934   8.277  -0.834
  934   2HB   ASN 119           HB1      ASN 119  -2.567   8.060  -2.547
  935   1HD2  ASN 119          HD22      ASN 119   0.673   8.241  -0.002
  936   2HD2  ASN 119          HD21      ASN 119  -0.659   9.249   0.296
  937    H    GLU 120           HN       GLU 120  -2.759  12.355  -2.699
  938    HA   GLU 120           HA       GLU 120  -4.909  11.740  -4.485
  939   1HB   GLU 120           HB2      GLU 120  -3.400  14.061  -3.628
  940   2HB   GLU 120           HB1      GLU 120  -3.794  14.144  -5.347
  941   1HG   GLU 120           HG2      GLU 120  -6.157  13.746  -4.861
  942   2HG   GLU 120           HG1      GLU 120  -5.797  13.560  -3.145
  943    HA   PRO 121           HA       PRO 121  -1.464  12.455  -7.891
  944   1HB   PRO 121           HB2      PRO 121   0.834  11.069  -6.765
  945   2HB   PRO 121           HB1      PRO 121   0.743  12.704  -7.431
  946   1HG   PRO 121           HG2      PRO 121   0.987  12.026  -4.693
  947   2HG   PRO 121           HG1      PRO 121   0.610  13.626  -5.345
  948   1HD   PRO 121           HD2      PRO 121  -1.145  11.773  -3.950
  949   2HD   PRO 121           HD1      PRO 121  -1.468  13.454  -4.423
  950    H    VAL 122           HN       VAL 122  -1.610   9.590  -5.826
  951    HA   VAL 122           HA       VAL 122  -1.414   7.895  -8.266
  952    HB   VAL 122           HB       VAL 122  -1.023   7.460  -5.344
  953   1HG1  VAL 122          HG13      VAL 122  -1.904   5.354  -7.331
  954   2HG1  VAL 122          HG12      VAL 122  -1.046   4.955  -5.842
  955   3HG1  VAL 122          HG11      VAL 122  -2.629   5.730  -5.768
  956   1HG2  VAL 122          HG23      VAL 122   0.757   7.853  -7.208
  957   2HG2  VAL 122          HG22      VAL 122   1.041   6.571  -6.030
  958   3HG2  VAL 122          HG21      VAL 122   0.437   6.173  -7.639
  959    H    ILE 123           HN       ILE 123  -3.562   8.640  -5.552
  960    HA   ILE 123           HA       ILE 123  -5.600   6.754  -6.070
  961    HB   ILE 123           HB       ILE 123  -5.696   9.570  -4.964
  962   1HG1  ILE 123          HG12      ILE 123  -6.400   7.081  -3.484
  963   2HG1  ILE 123          HG11      ILE 123  -4.701   7.371  -3.826
  964   1HG2  ILE 123          HG23      ILE 123  -7.868   8.934  -6.090
  965   2HG2  ILE 123          HG22      ILE 123  -7.964   7.554  -4.997
  966   3HG2  ILE 123          HG21      ILE 123  -8.011   9.195  -4.351
  967   1HD1  ILE 123          HD11      ILE 123  -5.478   9.836  -2.956
  968   2HD1  ILE 123          HD13      ILE 123  -6.519   8.795  -1.986
  969   3HD1  ILE 123          HD12      ILE 123  -4.769   8.603  -1.913
  970    H    ALA 124           HN       ALA 124  -4.840   9.823  -7.576
  971    HA   ALA 124           HA       ALA 124  -7.148  10.303  -9.098
  972   1HB   ALA 124           HB1      ALA 124  -4.431  11.168  -9.073
  973   2HB   ALA 124           HB3      ALA 124  -4.851  10.766 -10.738
  974   3HB   ALA 124           HB2      ALA 124  -5.807  11.951  -9.848
  975    H    LYS 125           HN       LYS 125  -4.479   8.118  -9.674
  976    HA   LYS 125           HA       LYS 125  -5.459   7.239 -12.265
  977   1HB   LYS 125           HB2      LYS 125  -3.303   6.191 -10.426
  978   2HB   LYS 125           HB1      LYS 125  -3.594   5.597 -12.064
  979   1HG   LYS 125           HG2      LYS 125  -2.922   8.449 -11.291
  980   2HG   LYS 125           HG1      LYS 125  -1.845   7.312 -12.109
  981   1HD   LYS 125           HD2      LYS 125  -4.045   7.215 -13.729
  982   2HD   LYS 125           HD1      LYS 125  -4.085   8.895 -13.195
  983   1HE   LYS 125           HE2      LYS 125  -2.396   9.404 -14.587
  984   2HE   LYS 125           HE1      LYS 125  -1.374   8.191 -13.818
  985   1HZ   LYS 125           HZ1      LYS 125  -3.355   7.017 -15.503
  986   2HZ   LYS 125           HZ3      LYS 125  -2.366   8.096 -16.362
  987   3HZ   LYS 125           HZ2      LYS 125  -1.669   6.803 -15.507
  988    H    LEU 126           HN       LEU 126  -5.587   5.913  -8.940
  989    HA   LEU 126           HA       LEU 126  -6.604   3.338  -9.669
  990   1HB   LEU 126           HB2      LEU 126  -7.141   5.036  -7.210
  991   2HB   LEU 126           HB1      LEU 126  -7.705   3.375  -7.391
  992    HG   LEU 126           HG       LEU 126  -5.632   2.496  -7.017
  993   1HD1  LEU 126          HD12      LEU 126  -4.731   3.567  -9.147
  994   2HD1  LEU 126          HD11      LEU 126  -4.245   4.939  -8.152
  995   3HD1  LEU 126          HD13      LEU 126  -3.550   3.348  -7.860
  996   1HD2  LEU 126          HD21      LEU 126  -6.046   4.960  -5.608
  997   2HD2  LEU 126          HD23      LEU 126  -5.233   3.499  -5.048
  998   3HD2  LEU 126          HD22      LEU 126  -4.319   4.748  -5.892
  999    H    LYS 127           HN       LYS 127  -8.102   6.451  -9.129
 1000    HA   LYS 127           HA       LYS 127 -10.806   6.026  -9.180
 1001   1HB   LYS 127           HB2      LYS 127  -9.395   7.975 -11.021
 1002   2HB   LYS 127           HB1      LYS 127 -11.012   8.151 -10.317
 1003   1HG   LYS 127           HG2      LYS 127  -9.441   7.735  -8.081
 1004   2HG   LYS 127           HG1      LYS 127  -8.385   8.701  -9.126
 1005   1HD   LYS 127           HD2      LYS 127 -11.242   9.550  -8.844
 1006   2HD   LYS 127           HD1      LYS 127 -10.142   9.875  -7.505
 1007   1HE   LYS 127           HE2      LYS 127  -9.205  11.587  -8.620
 1008   2HE   LYS 127           HE1      LYS 127  -8.866  10.549 -10.006
 1009   1HZ   LYS 127           HZ2      LYS 127 -11.386  10.839 -10.444
 1010   2HZ   LYS 127           HZ1      LYS 127 -11.224  12.221  -9.469
 1011   3HZ   LYS 127           HZ3      LYS 127 -10.311  12.076 -10.891
 1012    H    ARG 128           HN       ARG 128  -8.563   5.736 -11.860
 1013    HA   ARG 128           HA       ARG 128 -10.690   4.997 -13.748
 1014   1HB   ARG 128           HB2      ARG 128  -7.834   4.620 -14.469
 1015   2HB   ARG 128           HB1      ARG 128  -9.133   5.374 -15.386
 1016   1HG   ARG 128           HG2      ARG 128  -8.870   7.137 -13.311
 1017   2HG   ARG 128           HG1      ARG 128  -7.199   6.594 -13.512
 1018   1HD   ARG 128           HD2      ARG 128  -7.178   7.252 -15.820
 1019   2HD   ARG 128           HD1      ARG 128  -8.923   7.514 -15.829
 1020    HE   ARG 128           HE       ARG 128  -7.992   9.253 -13.877
 1021   1HH1  ARG 128          HH21      ARG 128  -8.604   9.283 -17.131
 1022   2HH1  ARG 128          HH22      ARG 128  -7.563  10.612 -17.516
 1023   1HH2  ARG 128          HH11      ARG 128  -6.072  10.698 -14.387
 1024   2HH2  ARG 128          HH12      ARG 128  -6.132  11.415 -15.963
 1025    H    LEU 129           HN       LEU 129  -7.791   3.465 -12.332
 1026    HA   LEU 129           HA       LEU 129  -7.127   1.182 -12.422
 1027   1HB   LEU 129           HB2      LEU 129  -9.213   1.723 -10.616
 1028   2HB   LEU 129           HB1      LEU 129  -9.652   0.203 -11.388
 1029    HG   LEU 129           HG       LEU 129  -7.559  -0.804 -10.795
 1030   1HD1  LEU 129          HD11      LEU 129  -6.624   1.862 -10.789
 1031   2HD1  LEU 129          HD13      LEU 129  -6.417   1.272  -9.141
 1032   3HD1  LEU 129          HD12      LEU 129  -5.681   0.402 -10.488
 1033   1HD2  LEU 129          HD22      LEU 129  -8.748   0.782  -8.502
 1034   2HD2  LEU 129          HD21      LEU 129  -9.204  -0.843  -9.013
 1035   3HD2  LEU 129          HD23      LEU 129  -7.620  -0.557  -8.292
 1036   3HOG  APC 130           H5T      ATP 130   4.399   1.967   8.940
 1037   1H3A  APC 130           H3P      ATP 130   7.257   1.519   7.488
 1038   2H3A  APC 130          H3P'      ATP 130   6.280   2.381   8.700
 1039   1H5*  APC 130           H5'      ATP 130   9.641   5.395   7.080
 1040   2H5*  APC 130          H5''      ATP 130   9.666   5.050   8.816
 1041    H4*  APC 130           H4'      ATP 130   8.650   7.111   8.819
 1042    H3*  APC 130           H3'      ATP 130   6.617   4.946   8.653
 1043   *HO3  APC 130          H3''      ATP 130   7.405   6.987  10.522
 1044    H2*  APC 130          H2''      ATP 130   4.964   6.223   7.879
 1045   *HO2  APC 130           H2'      ATP 130   4.341   7.979   8.920
 1046    H1*  APC 130           H1'      ATP 130   6.510   8.638   7.312
 1047    H8   APC 130           H8       ATP 130   5.886   5.344   5.404
 1048    H2   APC 130           H2       ATP 130   3.733  11.351   5.062
 1049   1HN6  APC 130           H61      ATP 130   2.624   7.033   2.245
 1050   2HN6  APC 130           H62      ATP 130   1.929   8.617   1.987
 1051   1HN1  CON 131          H1N1      ATP 130   9.179   2.678  13.667
 1052   2HN1  CON 131          H2N1      ATP 130   9.556   1.275  13.087
 1053   3HN1  CON 131          H3N1      ATP 130   8.856   1.384  14.485
 1054   1HN2  CON 131          H1N2      ATP 130   6.573   2.754  14.969
 1055   2HN2  CON 131          H2N2      ATP 130   5.188   2.359  14.357
 1056   3HN2  CON 131          H3N2      ATP 130   6.072   1.277  15.062
 1057   1HN3  CON 131          H1N3      ATP 130   6.601   3.860  11.419
 1058   2HN3  CON 131          H2N3      ATP 130   8.009   3.955  12.091
 1059   3HN3  CON 131          H3N3      ATP 130   6.715   4.195  12.940
 1060   1HN4  CON 131          H1N4      ATP 130   7.419  -0.597  13.937
 1061   2HN4  CON 131          H2N4      ATP 130   6.025  -0.696  13.237
 1062   3HN4  CON 131          H3N4      ATP 130   7.335  -0.925  12.411
 1063   1HO1  MO2 132          H1O1      MG  131  10.010  -2.508   6.844
 1064   2HO1  MO2 132          H2O1      MG  131   9.313  -2.106   8.121
 1065   1HO2  MO2 132          H1O2      MG  131   7.689  -4.233   9.338
 1066   2HO2  MO2 132          H2O2      MG  131   6.808  -5.295   8.717
   
  No H/Q in entry =        1066
  Start of MODEL    6
    1   1H    MET   1           HT2      MET   1  13.515  16.250   6.707
    2   2H    MET   1           HT1      MET   1  13.589  17.540   7.809
    3   3H    MET   1           HT3      MET   1  14.999  17.008   7.033
    4    HA   MET   1           HA       MET   1  15.007  16.192   9.272
    5   1HB   MET   1           HB2      MET   1  12.459  16.303   9.421
    6   2HB   MET   1           HB1      MET   1  12.438  14.750   8.585
    7   1HG   MET   1           HG2      MET   1  13.192  13.611  10.410
    8   2HG   MET   1           HG1      MET   1  14.295  14.903  10.879
    9   1HE   MET   1           HE3      MET   1  14.071  15.993  12.947
   10   2HE   MET   1           HE2      MET   1  12.752  15.670  14.069
   11   3HE   MET   1           HE1      MET   1  13.665  14.328  13.382
   12    H    LYS   2           HN       LYS   2  13.581  14.303   6.585
   13    HA   LYS   2           HA       LYS   2  15.960  12.877   5.998
   14   1HB   LYS   2           HB2      LYS   2  15.091  10.607   6.967
   15   2HB   LYS   2           HB1      LYS   2  15.934  11.722   8.036
   16   1HG   LYS   2           HG2      LYS   2  13.933  10.944   9.167
   17   2HG   LYS   2           HG1      LYS   2  13.723  12.643   8.754
   18   1HD   LYS   2           HD2      LYS   2  11.691  11.343   8.237
   19   2HD   LYS   2           HD1      LYS   2  12.402  12.010   6.773
   20   1HE   LYS   2           HE2      LYS   2  11.810   9.712   6.321
   21   2HE   LYS   2           HE1      LYS   2  13.565   9.789   6.430
   22   1HZ   LYS   2           HZ1      LYS   2  12.345   9.354   8.974
   23   2HZ   LYS   2           HZ3      LYS   2  11.927   8.141   7.865
   24   3HZ   LYS   2           HZ2      LYS   2  13.561   8.462   8.193
   25    H    LYS   3           HN       LYS   3  14.966  10.431   5.130
   26    HA   LYS   3           HA       LYS   3  12.523  11.077   3.562
   27   1HB   LYS   3           HB2      LYS   3  14.100  11.659   1.929
   28   2HB   LYS   3           HB1      LYS   3  15.262  10.454   2.479
   29   1HG   LYS   3           HG2      LYS   3  14.195   8.714   1.364
   30   2HG   LYS   3           HG1      LYS   3  12.625   9.516   1.402
   31   1HD   LYS   3           HD2      LYS   3  13.105  10.846  -0.439
   32   2HD   LYS   3           HD1      LYS   3  14.847  10.774  -0.168
   33   1HE   LYS   3           HE2      LYS   3  14.660   8.268  -0.718
   34   2HE   LYS   3           HE1      LYS   3  13.052   8.644  -1.335
   35   1HZ   LYS   3           HZ3      LYS   3  15.211  10.369  -2.238
   36   2HZ   LYS   3           HZ2      LYS   3  15.243   8.773  -2.819
   37   3HZ   LYS   3           HZ1      LYS   3  13.882   9.752  -3.093
   38    H    LEU   4           HN       LEU   4  11.247   9.271   3.182
   39    HA   LEU   4           HA       LEU   4  12.405   6.600   3.603
   40   1HB   LEU   4           HB2      LEU   4  11.193   5.942   5.444
   41   2HB   LEU   4           HB1      LEU   4  11.396   7.638   5.835
   42    HG   LEU   4           HG       LEU   4   9.162   7.071   6.273
   43   1HD1  LEU   4          HD12      LEU   4   9.719   8.831   4.014
   44   2HD1  LEU   4          HD11      LEU   4   8.049   8.275   4.084
   45   3HD1  LEU   4          HD13      LEU   4   8.755   9.120   5.460
   46   1HD2  LEU   4          HD22      LEU   4   9.383   5.112   4.415
   47   2HD2  LEU   4          HD21      LEU   4   7.856   5.630   5.114
   48   3HD2  LEU   4          HD23      LEU   4   8.366   6.260   3.555
   49    H    GLN   5           HN       GLN   5  11.549   5.161   2.230
   50    HA   GLN   5           HA       GLN   5   9.245   6.086   0.600
   51   1HB   GLN   5           HB2      GLN   5  11.214   3.819   0.152
   52   2HB   GLN   5           HB1      GLN   5   9.914   4.261  -0.953
   53   1HG   GLN   5           HG2      GLN   5  11.508   5.586  -1.907
   54   2HG   GLN   5           HG1      GLN   5  11.091   6.686  -0.589
   55   1HE2  GLN   5          HE22      GLN   5  14.732   4.871  -0.629
   56   2HE2  GLN   5          HE21      GLN   5  13.585   4.558  -1.841
   57    H    ILE   6           HN       ILE   6   7.598   4.417   0.089
   58    HA   ILE   6           HA       ILE   6   7.300   2.473   2.334
   59    HB   ILE   6           HB       ILE   6   5.362   4.436   1.144
   60   1HG1  ILE   6          HG12      ILE   6   6.877   4.473   3.405
   61   2HG1  ILE   6          HG11      ILE   6   5.352   5.325   3.234
   62   1HG2  ILE   6          HG21      ILE   6   4.296   2.190   1.018
   63   2HG2  ILE   6          HG23      ILE   6   4.607   1.967   2.741
   64   3HG2  ILE   6          HG22      ILE   6   3.504   3.233   2.200
   65   1HD1  ILE   6          HD13      ILE   6   5.667   2.539   4.391
   66   2HD1  ILE   6          HD12      ILE   6   5.423   4.009   5.334
   67   3HD1  ILE   6          HD11      ILE   6   4.153   3.432   4.256
   68    H    ALA   7           HN       ALA   7   7.500   0.509   1.435
   69    HA   ALA   7           HA       ALA   7   6.831   0.080  -1.395
   70   1HB   ALA   7           HB2      ALA   7   8.593  -1.127   0.448
   71   2HB   ALA   7           HB1      ALA   7   7.376  -2.353   0.084
   72   3HB   ALA   7           HB3      ALA   7   8.308  -1.618  -1.221
   73    H    VAL   8           HN       VAL   8   4.533   0.777  -0.655
   74    HA   VAL   8           HA       VAL   8   3.001  -1.264   0.738
   75    HB   VAL   8           HB       VAL   8   2.128   0.884   1.091
   76   1HG1  VAL   8          HG13      VAL   8   3.140   1.379  -1.571
   77   2HG1  VAL   8          HG12      VAL   8   1.480   1.949  -1.442
   78   3HG1  VAL   8          HG11      VAL   8   2.703   2.536  -0.318
   79   1HG2  VAL   8          HG22      VAL   8   0.537  -1.006  -0.045
   80   2HG2  VAL   8          HG21      VAL   8  -0.064   0.546   0.537
   81   3HG2  VAL   8          HG23      VAL   8   0.297   0.327  -1.175
   82    H    GLY   9           HN       GLY   9   2.411   0.059  -2.549
   83   1HA   GLY   9           HA2      GLY   9   1.621  -1.113  -4.418
   84   2HA   GLY   9           HA1      GLY   9   2.591  -2.468  -3.823
   85    H    ILE  10           HN       ILE  10  -0.488  -0.852  -3.568
   86    HA   ILE  10           HA       ILE  10  -1.794  -2.427  -1.677
   87    HB   ILE  10           HB       ILE  10  -3.472  -1.986  -4.065
   88   1HG1  ILE  10          HG12      ILE  10  -2.098   0.349  -2.693
   89   2HG1  ILE  10          HG11      ILE  10  -1.894  -0.116  -4.387
   90   1HG2  ILE  10          HG22      ILE  10  -4.228  -2.471  -1.705
   91   2HG2  ILE  10          HG21      ILE  10  -3.642  -0.870  -1.254
   92   3HG2  ILE  10          HG23      ILE  10  -4.957  -1.032  -2.419
   93   1HD1  ILE  10          HD13      ILE  10  -4.314   0.279  -4.764
   94   2HD1  ILE  10          HD12      ILE  10  -4.485   0.785  -3.084
   95   3HD1  ILE  10          HD11      ILE  10  -3.501   1.737  -4.195
   96    H    ILE  11           HN       ILE  11  -3.427  -4.231  -2.226
   97    HA   ILE  11           HA       ILE  11  -2.262  -5.983  -4.333
   98    HB   ILE  11           HB       ILE  11  -2.696  -7.866  -2.589
   99   1HG1  ILE  11          HG12      ILE  11  -2.590  -5.373  -0.843
  100   2HG1  ILE  11          HG11      ILE  11  -3.945  -6.492  -1.008
  101   1HG2  ILE  11          HG22      ILE  11  -0.481  -6.100  -3.098
  102   2HG2  ILE  11          HG21      ILE  11  -0.476  -6.533  -1.391
  103   3HG2  ILE  11          HG23      ILE  11  -0.433  -7.795  -2.621
  104   1HD1  ILE  11          HD13      ILE  11  -1.277  -7.579  -0.192
  105   2HD1  ILE  11          HD12      ILE  11  -2.263  -6.745   1.010
  106   3HD1  ILE  11          HD11      ILE  11  -2.891  -8.176   0.195
  107    H    ARG  12           HN       ARG  12  -4.014  -5.696  -5.702
  108    HA   ARG  12           HA       ARG  12  -6.771  -5.938  -4.782
  109   1HB   ARG  12           HB2      ARG  12  -5.905  -6.208  -7.661
  110   2HB   ARG  12           HB1      ARG  12  -7.368  -5.460  -7.010
  111   1HG   ARG  12           HG2      ARG  12  -5.657  -3.883  -5.806
  112   2HG   ARG  12           HG1      ARG  12  -4.575  -4.383  -7.098
  113   1HD   ARG  12           HD2      ARG  12  -7.285  -3.047  -7.441
  114   2HD   ARG  12           HD1      ARG  12  -5.710  -2.340  -7.780
  115    HE   ARG  12           HE       ARG  12  -5.816  -4.671  -9.329
  116   1HH1  ARG  12          HH11      ARG  12  -8.778  -3.589  -9.195
  117   2HH1  ARG  12          HH12      ARG  12  -8.843  -2.775 -10.721
  118   1HH2  ARG  12          HH21      ARG  12  -5.412  -2.828 -11.201
  119   2HH2  ARG  12          HH22      ARG  12  -6.941  -2.340 -11.853
  120    H    ASN  13           HN       ASN  13  -8.123  -7.762  -6.233
  121    HA   ASN  13           HA       ASN  13  -6.478 -10.181  -6.435
  122   1HB   ASN  13           HB2      ASN  13  -6.674 -10.727  -4.294
  123   2HB   ASN  13           HB1      ASN  13  -7.816  -9.414  -4.010
  124   1HD2  ASN  13          HD22      ASN  13 -10.331 -11.827  -3.438
  125   2HD2  ASN  13          HD21      ASN  13  -9.544 -10.419  -2.913
  126    H    GLU  14           HN       GLU  14 -10.049  -9.544  -6.015
  127    HA   GLU  14           HA       GLU  14 -10.462 -11.740  -7.963
  128   1HB   GLU  14           HB2      GLU  14 -11.788 -11.471  -5.836
  129   2HB   GLU  14           HB1      GLU  14 -12.546 -10.058  -6.552
  130   1HG   GLU  14           HG2      GLU  14 -14.070 -11.717  -7.143
  131   2HG   GLU  14           HG1      GLU  14 -13.018 -11.715  -8.560
  132    H    ASN  15           HN       ASN  15 -10.688  -8.328  -7.864
  133    HA   ASN  15           HA       ASN  15 -10.975  -8.124 -10.754
  134   1HB   ASN  15           HB2      ASN  15 -13.386  -8.337  -9.519
  135   2HB   ASN  15           HB1      ASN  15 -13.098  -6.612  -9.287
  136   1HD2  ASN  15          HD22      ASN  15 -14.610  -7.591 -12.741
  137   2HD2  ASN  15          HD21      ASN  15 -14.889  -8.332 -11.239
  138    H    ASN  16           HN       ASN  16 -11.322  -6.698  -7.629
  139    HA   ASN  16           HA       ASN  16  -9.075  -4.933  -7.965
  140   1HB   ASN  16           HB2      ASN  16 -10.869  -3.565  -9.036
  141   2HB   ASN  16           HB1      ASN  16 -11.851  -3.747  -7.582
  142   1HD2  ASN  16          HD22      ASN  16 -10.117  -1.246  -5.787
  143   2HD2  ASN  16          HD21      ASN  16 -11.362  -2.399  -5.775
  144    H    GLU  17           HN       GLU  17  -9.881  -7.225  -6.344
  145    HA   GLU  17           HA       GLU  17 -10.827  -6.096  -3.820
  146   1HB   GLU  17           HB2      GLU  17  -9.583  -8.807  -4.285
  147   2HB   GLU  17           HB1      GLU  17 -10.505  -8.286  -2.874
  148   1HG   GLU  17           HG2      GLU  17 -11.907  -7.870  -5.422
  149   2HG   GLU  17           HG1      GLU  17 -11.596  -9.561  -5.032
  150    H    ILE  18           HN       ILE  18  -9.306  -4.463  -3.441
  151    HA   ILE  18           HA       ILE  18  -6.486  -5.127  -3.157
  152    HB   ILE  18           HB       ILE  18  -6.326  -2.819  -2.204
  153   1HG1  ILE  18          HG12      ILE  18  -8.989  -3.176  -1.599
  154   2HG1  ILE  18          HG11      ILE  18  -8.151  -1.631  -1.575
  155   1HG2  ILE  18          HG21      ILE  18  -7.409  -3.476  -4.892
  156   2HG2  ILE  18          HG23      ILE  18  -7.398  -1.771  -4.438
  157   3HG2  ILE  18          HG22      ILE  18  -5.897  -2.690  -4.440
  158   1HD1  ILE  18          HD13      ILE  18  -8.816  -1.323  -3.992
  159   2HD1  ILE  18          HD12      ILE  18  -9.810  -2.769  -3.844
  160   3HD1  ILE  18          HD11      ILE  18 -10.172  -1.350  -2.866
  161    H    PHE  19           HN       PHE  19  -5.414  -5.478  -1.227
  162    HA   PHE  19           HA       PHE  19  -7.062  -6.286   1.078
  163   1HB   PHE  19           HB2      PHE  19  -4.894  -7.438   0.255
  164   2HB   PHE  19           HB1      PHE  19  -4.048  -6.100   1.029
  165    HD1  PHE  19           HD1      PHE  19  -7.039  -8.187   1.931
  166    HD2  PHE  19           HD2      PHE  19  -3.175  -6.715   3.085
  167    HE1  PHE  19           HE1      PHE  19  -7.254  -9.333   4.120
  168    HE2  PHE  19           HE2      PHE  19  -3.396  -7.861   5.270
  169    HZ   PHE  19           HZ       PHE  19  -5.427  -9.166   5.788
  170    H    ILE  20           HN       ILE  20  -7.416  -3.609   0.515
  171    HA   ILE  20           HA       ILE  20  -5.668  -1.877   2.017
  172    HB   ILE  20           HB       ILE  20  -6.960  -1.190   0.016
  173   1HG1  ILE  20          HG12      ILE  20  -8.044   0.397   2.320
  174   2HG1  ILE  20          HG11      ILE  20  -6.311   0.394   1.988
  175   1HG2  ILE  20          HG21      ILE  20  -8.999  -2.592   1.066
  176   2HG2  ILE  20          HG23      ILE  20  -9.447  -0.978   1.615
  177   3HG2  ILE  20          HG22      ILE  20  -9.242  -1.297  -0.107
  178   1HD1  ILE  20          HD11      ILE  20  -7.014   0.883  -0.464
  179   2HD1  ILE  20          HD13      ILE  20  -8.553   1.366   0.237
  180   3HD1  ILE  20          HD12      ILE  20  -7.073   2.202   0.701
  181    H    THR  21           HN       THR  21  -6.250  -0.757   3.891
  182    HA   THR  21           HA       THR  21  -7.674  -2.290   5.887
  183    HB   THR  21           HB       THR  21  -6.015  -0.868   6.735
  184    HG1  THR  21           HG1      THR  21  -7.676  -0.617   8.103
  185   1HG2  THR  21          HG22      THR  21  -7.059   0.993   4.689
  186   2HG2  THR  21          HG21      THR  21  -6.489   1.751   6.177
  187   3HG2  THR  21          HG23      THR  21  -5.402   0.733   5.232
  188    H    ARG  22           HN       ARG  22  -9.779  -2.621   4.987
  189    HA   ARG  22           HA       ARG  22 -11.377  -0.268   4.249
  190   1HB   ARG  22           HB2      ARG  22 -11.507  -2.440   3.006
  191   2HB   ARG  22           HB1      ARG  22 -12.242  -3.162   4.443
  192   1HG   ARG  22           HG2      ARG  22 -14.010  -2.443   2.924
  193   2HG   ARG  22           HG1      ARG  22 -14.026  -1.417   4.358
  194   1HD   ARG  22           HD2      ARG  22 -12.896   0.363   3.208
  195   2HD   ARG  22           HD1      ARG  22 -12.548  -0.677   1.823
  196    HE   ARG  22           HE       ARG  22 -15.305  -0.715   1.967
  197   1HH1  ARG  22          HH21      ARG  22 -14.711   2.054   3.217
  198   2HH1  ARG  22          HH22      ARG  22 -14.887   3.067   1.823
  199   1HH2  ARG  22          HH11      ARG  22 -14.747   0.431  -0.430
  200   2HH2  ARG  22          HH12      ARG  22 -14.907   2.147  -0.247
  201    H    ARG  23           HN       ARG  23 -11.358   0.736   6.377
  202    HA   ARG  23           HA       ARG  23 -12.060   0.972   8.639
  203   1HB   ARG  23           HB2      ARG  23 -14.723   0.642   8.534
  204   2HB   ARG  23           HB1      ARG  23 -13.917   2.031   7.810
  205   1HG   ARG  23           HG2      ARG  23 -14.021   1.095   5.628
  206   2HG   ARG  23           HG1      ARG  23 -14.404  -0.510   6.248
  207   1HD   ARG  23           HD2      ARG  23 -16.502   0.742   7.277
  208   2HD   ARG  23           HD1      ARG  23 -16.180   1.887   5.973
  209    HE   ARG  23           HE       ARG  23 -16.149  -0.572   4.704
  210   1HH1  ARG  23          HH11      ARG  23 -18.340   1.631   6.092
  211   2HH1  ARG  23          HH12      ARG  23 -19.751   0.691   5.734
  212   1HH2  ARG  23          HH21      ARG  23 -17.962  -2.028   4.533
  213   2HH2  ARG  23          HH22      ARG  23 -19.537  -1.380   4.852
  214    H    ALA  24           HN       ALA  24 -10.934  -1.136   9.260
  215    HA   ALA  24           HA       ALA  24 -12.028  -3.660   9.385
  216   1HB   ALA  24           HB2      ALA  24 -10.158  -2.139  11.030
  217   2HB   ALA  24           HB1      ALA  24 -11.065  -3.313  11.984
  218   3HB   ALA  24           HB3      ALA  24 -10.125  -3.847  10.590
  219    H    ALA  25           HN       ALA  25 -12.656  -1.086  11.800
  220    HA   ALA  25           HA       ALA  25 -14.835  -2.632  12.998
  221   1HB   ALA  25           HB3      ALA  25 -13.275  -0.903  14.166
  222   2HB   ALA  25           HB2      ALA  25 -14.348   0.307  13.463
  223   3HB   ALA  25           HB1      ALA  25 -14.988  -0.894  14.583
  224    H    ASP  26           HN       ASP  26 -16.873  -0.881  13.392
  225    HA   ASP  26           HA       ASP  26 -18.065  -0.730  10.726
  226   1HB   ASP  26           HB2      ASP  26 -19.167   0.221  13.388
  227   2HB   ASP  26           HB1      ASP  26 -20.090  -0.025  11.905
  228    H    ALA  27           HN       ALA  27 -16.540   0.873   9.840
  229    HA   ALA  27           HA       ALA  27 -16.201   3.494  10.908
  230   1HB   ALA  27           HB3      ALA  27 -15.923   2.272   8.180
  231   2HB   ALA  27           HB2      ALA  27 -15.865   4.028   8.339
  232   3HB   ALA  27           HB1      ALA  27 -14.692   3.027   9.194
  233    H    HIS  28           HN       HIS  28 -18.758   2.080   8.924
  234    HA   HIS  28           HA       HIS  28 -20.789   3.003   8.184
  235   1HB   HIS  28           HB2      HIS  28 -20.186   4.397  10.759
  236   2HB   HIS  28           HB1      HIS  28 -21.461   5.074   9.747
  237    HD1  HIS  28           HD1      HIS  28 -23.661   4.250  10.592
  238    HD2  HIS  28           HD2      HIS  28 -20.728   1.248  10.651
  239    HE1  HIS  28           HE1      HIS  28 -24.802   2.100  11.353
  240    H    MET  29           HN       MET  29 -18.046   4.083   7.399
  241    HA   MET  29           HA       MET  29 -19.018   6.644   6.208
  242   1HB   MET  29           HB2      MET  29 -16.328   5.974   7.414
  243   2HB   MET  29           HB1      MET  29 -16.539   7.322   6.296
  244   1HG   MET  29           HG2      MET  29 -18.167   6.957   8.827
  245   2HG   MET  29           HG1      MET  29 -16.729   7.972   8.723
  246   1HE   MET  29           HE1      MET  29 -16.520  10.073   7.972
  247   2HE   MET  29           HE3      MET  29 -17.851  11.195   7.655
  248   3HE   MET  29           HE2      MET  29 -17.739  10.372   9.210
  249    H    ALA  30           HN       ALA  30 -15.840   5.851   5.292
  250    HA   ALA  30           HA       ALA  30 -15.917   3.805   3.485
  251   1HB   ALA  30           HB2      ALA  30 -17.733   5.927   2.648
  252   2HB   ALA  30           HB1      ALA  30 -16.544   5.522   1.409
  253   3HB   ALA  30           HB3      ALA  30 -17.599   4.269   2.061
  254    H    ASN  31           HN       ASN  31 -14.795   6.929   4.294
  255    HA   ASN  31           HA       ASN  31 -12.808   7.084   2.145
  256   1HB   ASN  31           HB2      ASN  31 -13.926   8.985   3.696
  257   2HB   ASN  31           HB1      ASN  31 -12.462   8.680   4.632
  258   1HD2  ASN  31          HD22      ASN  31 -11.399  11.237   2.235
  259   2HD2  ASN  31          HD21      ASN  31 -12.310  11.124   3.664
  260    H    LYS  32           HN       LYS  32 -13.009   4.901   4.429
  261    HA   LYS  32           HA       LYS  32 -10.396   5.096   5.716
  262   1HB   LYS  32           HB2      LYS  32 -12.789   3.750   6.197
  263   2HB   LYS  32           HB1      LYS  32 -11.653   2.475   5.759
  264   1HG   LYS  32           HG2      LYS  32 -11.220   4.582   7.891
  265   2HG   LYS  32           HG1      LYS  32 -11.591   2.881   8.176
  266   1HD   LYS  32           HD2      LYS  32  -9.459   2.543   6.600
  267   2HD   LYS  32           HD1      LYS  32  -9.049   4.135   7.239
  268   1HE   LYS  32           HE2      LYS  32 -10.010   2.457   9.375
  269   2HE   LYS  32           HE1      LYS  32  -8.705   1.635   8.519
  270   1HZ   LYS  32           HZ2      LYS  32  -7.641   4.018   8.670
  271   2HZ   LYS  32           HZ1      LYS  32  -8.655   4.138  10.028
  272   3HZ   LYS  32           HZ3      LYS  32  -7.498   2.902   9.943
  273    H    LEU  33           HN       LEU  33  -9.738   5.215   3.067
  274    HA   LEU  33           HA       LEU  33  -8.845   2.419   2.482
  275   1HB   LEU  33           HB2      LEU  33  -9.644   4.632   0.576
  276   2HB   LEU  33           HB1      LEU  33  -8.812   3.176   0.043
  277    HG   LEU  33           HG       LEU  33 -11.601   3.495   1.096
  278   1HD1  LEU  33          HD11      LEU  33 -10.883   3.302  -1.366
  279   2HD1  LEU  33          HD13      LEU  33 -10.495   1.621  -1.003
  280   3HD1  LEU  33          HD12      LEU  33 -12.151   2.201  -0.826
  281   1HD2  LEU  33          HD23      LEU  33  -9.788   1.150   1.565
  282   2HD2  LEU  33          HD22      LEU  33 -11.075   1.789   2.582
  283   3HD2  LEU  33          HD21      LEU  33 -11.472   0.841   1.155
  284    H    GLU  34           HN       GLU  34  -6.920   2.850   3.735
  285    HA   GLU  34           HA       GLU  34  -5.109   4.950   2.716
  286   1HB   GLU  34           HB2      GLU  34  -5.522   3.850   5.231
  287   2HB   GLU  34           HB1      GLU  34  -4.001   3.121   4.718
  288   1HG   GLU  34           HG2      GLU  34  -3.757   5.773   3.908
  289   2HG   GLU  34           HG1      GLU  34  -4.572   5.890   5.469
  290    H    PHE  35           HN       PHE  35  -2.722   3.199   3.424
  291    HA   PHE  35           HA       PHE  35  -2.856   1.271   1.159
  292   1HB   PHE  35           HB2      PHE  35  -0.294   2.682   1.277
  293   2HB   PHE  35           HB1      PHE  35  -1.327   2.353  -0.112
  294    HD1  PHE  35           HD2      PHE  35  -0.886   4.615   2.817
  295    HD2  PHE  35           HD1      PHE  35  -2.758   4.032  -1.005
  296    HE1  PHE  35           HE2      PHE  35  -1.675   6.965   2.847
  297    HE2  PHE  35           HE1      PHE  35  -3.550   6.383  -0.973
  298    HZ   PHE  35           HZ       PHE  35  -3.010   7.849   0.952
  299    HA   PRO  36           HA       PRO  36  -0.772  -1.121   4.311
  300   1HB   PRO  36           HB2      PRO  36  -0.524  -3.381   2.699
  301   2HB   PRO  36           HB1      PRO  36  -1.943  -2.985   3.661
  302   1HG   PRO  36           HG2      PRO  36  -1.605  -2.803   0.723
  303   2HG   PRO  36           HG1      PRO  36  -3.094  -2.900   1.676
  304   1HD   PRO  36           HD2      PRO  36  -2.038  -0.575   0.455
  305   2HD   PRO  36           HD1      PRO  36  -3.360  -0.638   1.642
  306    H    GLY  37           HN       GLY  37   1.378  -0.145   4.377
  307   1HA   GLY  37           HA2      GLY  37   3.284  -1.344   2.425
  308   2HA   GLY  37           HA1      GLY  37   3.326   0.393   2.709
  309    H    GLY  38           HN       GLY  38   5.149  -2.062   3.309
  310   1HA   GLY  38           HA2      GLY  38   5.561  -1.516   6.209
  311   2HA   GLY  38           HA1      GLY  38   6.102  -2.975   5.382
  312    H    LYS  39           HN       LYS  39   6.478   0.337   4.176
  313    HA   LYS  39           HA       LYS  39   8.395   1.587   3.671
  314   1HB   LYS  39           HB2      LYS  39   8.696   1.530   6.090
  315   2HB   LYS  39           HB1      LYS  39   9.502  -0.027   5.977
  316   1HG   LYS  39           HG2      LYS  39  11.351   1.348   6.002
  317   2HG   LYS  39           HG1      LYS  39  11.045   1.317   4.265
  318   1HD   LYS  39           HD2      LYS  39   9.454   3.346   4.816
  319   2HD   LYS  39           HD1      LYS  39  10.475   3.493   6.249
  320   1HE   LYS  39           HE2      LYS  39  11.785   3.163   3.570
  321   2HE   LYS  39           HE1      LYS  39  11.147   4.744   4.014
  322   1HZ   LYS  39           HZ3      LYS  39  12.458   4.652   6.049
  323   2HZ   LYS  39           HZ2      LYS  39  13.085   3.141   5.593
  324   3HZ   LYS  39           HZ1      LYS  39  13.449   4.523   4.678
  325    H    ILE  40           HN       ILE  40   9.561   1.227   1.847
  326    HA   ILE  40           HA       ILE  40  10.704  -1.455   1.365
  327    HB   ILE  40           HB       ILE  40  10.080  -0.772  -0.714
  328   1HG1  ILE  40          HG12      ILE  40  12.710  -0.727  -0.542
  329   2HG1  ILE  40          HG11      ILE  40  11.927  -0.167  -2.016
  330   1HG2  ILE  40          HG21      ILE  40  10.577   2.092   0.131
  331   2HG2  ILE  40          HG23      ILE  40   9.913   1.598  -1.425
  332   3HG2  ILE  40          HG22      ILE  40   9.016   1.283   0.058
  333   1HD1  ILE  40          HD11      ILE  40  12.309   1.878   0.098
  334   2HD1  ILE  40          HD13      ILE  40  13.784   1.282  -0.664
  335   3HD1  ILE  40          HD12      ILE  40  12.515   2.012  -1.647
  336    H    GLU  41           HN       GLU  41  12.873  -1.950   1.607
  337    HA   GLU  41           HA       GLU  41  14.929   0.058   1.699
  338   1HB   GLU  41           HB2      GLU  41  15.340   0.311   3.981
  339   2HB   GLU  41           HB1      GLU  41  13.578   0.301   3.921
  340   1HG   GLU  41           HG2      GLU  41  13.675  -2.195   4.368
  341   2HG   GLU  41           HG1      GLU  41  15.401  -2.002   4.677
  342    H    MET  42           HN       MET  42  13.884  -3.221   2.464
  343    HA   MET  42           HA       MET  42  16.387  -4.437   2.929
  344   1HB   MET  42           HB2      MET  42  13.739  -5.307   2.405
  345   2HB   MET  42           HB1      MET  42  14.779  -6.141   1.250
  346   1HG   MET  42           HG2      MET  42  14.888  -7.558   3.112
  347   2HG   MET  42           HG1      MET  42  16.319  -6.550   3.330
  348   1HE   MET  42           HE3      MET  42  14.627  -8.381   5.005
  349   2HE   MET  42           HE2      MET  42  14.320  -7.667   6.585
  350   3HE   MET  42           HE1      MET  42  13.027  -7.732   5.390
  351    H    GLY  43           HN       GLY  43  18.013  -5.212   1.555
  352   1HA   GLY  43           HA2      GLY  43  19.323  -5.316  -0.394
  353   2HA   GLY  43           HA1      GLY  43  17.805  -5.371  -1.302
  354    H    GLU  44           HN       GLU  44  17.484  -3.725  -2.591
  355    HA   GLU  44           HA       GLU  44  17.902  -0.972  -1.848
  356   1HB   GLU  44           HB2      GLU  44  19.580  -0.702  -3.901
  357   2HB   GLU  44           HB1      GLU  44  20.166  -1.066  -2.279
  358   1HG   GLU  44           HG2      GLU  44  20.262  -3.443  -2.794
  359   2HG   GLU  44           HG1      GLU  44  19.537  -3.162  -4.379
  360    H    THR  45           HN       THR  45  16.834  -3.379  -4.069
  361    HA   THR  45           HA       THR  45  15.775  -1.341  -5.947
  362    HB   THR  45           HB       THR  45  16.091  -4.354  -6.072
  363    HG1  THR  45           HG1      THR  45  17.279  -3.344  -8.059
  364   1HG2  THR  45          HG21      THR  45  14.073  -2.956  -7.308
  365   2HG2  THR  45          HG23      THR  45  15.339  -2.909  -8.532
  366   3HG2  THR  45          HG22      THR  45  14.764  -4.459  -7.916
  367    HA   PRO  46           HA       PRO  46  11.769  -1.498  -4.080
  368   1HB   PRO  46           HB2      PRO  46  10.548  -1.692  -6.728
  369   2HB   PRO  46           HB1      PRO  46  10.497  -0.354  -5.570
  370   1HG   PRO  46           HG2      PRO  46  12.036  -0.483  -7.980
  371   2HG   PRO  46           HG1      PRO  46  12.078   0.790  -6.752
  372   1HD   PRO  46           HD2      PRO  46  14.129  -1.131  -7.332
  373   2HD   PRO  46           HD1      PRO  46  14.126   0.086  -6.041
  374    H    GLU  47           HN       GLU  47  12.963  -3.932  -6.270
  375    HA   GLU  47           HA       GLU  47  10.689  -5.721  -5.898
  376   1HB   GLU  47           HB2      GLU  47  13.181  -5.719  -7.421
  377   2HB   GLU  47           HB1      GLU  47  12.904  -7.273  -6.634
  378   1HG   GLU  47           HG2      GLU  47  10.902  -7.647  -7.774
  379   2HG   GLU  47           HG1      GLU  47  10.642  -5.929  -8.081
  380    H    GLN  48           HN       GLN  48  14.065  -6.584  -5.113
  381    HA   GLN  48           HA       GLN  48  13.430  -8.314  -3.015
  382   1HB   GLN  48           HB2      GLN  48  15.848  -6.558  -3.446
  383   2HB   GLN  48           HB1      GLN  48  15.715  -7.630  -2.040
  384   1HG   GLN  48           HG2      GLN  48  15.435  -9.568  -3.488
  385   2HG   GLN  48           HG1      GLN  48  15.428  -8.538  -4.919
  386   1HE2  GLN  48          HE22      GLN  48  18.965  -9.541  -3.167
  387   2HE2  GLN  48          HE21      GLN  48  17.489 -10.014  -2.475
  388    H    ALA  49           HN       ALA  49  13.387  -4.830  -2.992
  389    HA   ALA  49           HA       ALA  49  13.437  -4.564  -0.112
  390   1HB   ALA  49           HB3      ALA  49  13.293  -2.790  -2.383
  391   2HB   ALA  49           HB2      ALA  49  12.073  -2.346  -1.193
  392   3HB   ALA  49           HB1      ALA  49  13.772  -2.431  -0.727
  393    H    VAL  50           HN       VAL  50  10.755  -4.088  -2.447
  394    HA   VAL  50           HA       VAL  50   8.758  -4.120  -0.364
  395    HB   VAL  50           HB       VAL  50   8.665  -3.126  -2.764
  396   1HG1  VAL  50          HG12      VAL  50   7.694  -5.953  -3.285
  397   2HG1  VAL  50          HG11      VAL  50   7.564  -4.603  -4.411
  398   3HG1  VAL  50          HG13      VAL  50   9.150  -5.227  -3.962
  399   1HG2  VAL  50          HG22      VAL  50   6.654  -4.092  -0.957
  400   2HG2  VAL  50          HG21      VAL  50   6.594  -2.692  -2.028
  401   3HG2  VAL  50          HG23      VAL  50   6.082  -4.274  -2.615
  402    H    VAL  51           HN       VAL  51   9.721  -6.500  -2.771
  403    HA   VAL  51           HA       VAL  51   7.986  -8.597  -2.089
  404    HB   VAL  51           HB       VAL  51   9.698  -8.307  -4.040
  405   1HG1  VAL  51          HG11      VAL  51  11.653  -8.202  -2.489
  406   2HG1  VAL  51          HG13      VAL  51  11.359  -9.888  -2.067
  407   3HG1  VAL  51          HG12      VAL  51  11.804  -9.455  -3.719
  408   1HG2  VAL  51          HG21      VAL  51   8.123 -10.238  -3.661
  409   2HG2  VAL  51          HG23      VAL  51   9.622 -10.675  -4.482
  410   3HG2  VAL  51          HG22      VAL  51   9.416 -11.039  -2.768
  411    H    ARG  52           HN       ARG  52  11.215  -7.823  -0.739
  412    HA   ARG  52           HA       ARG  52  11.155 -10.109   1.057
  413   1HB   ARG  52           HB2      ARG  52  12.890  -7.617   1.082
  414   2HB   ARG  52           HB1      ARG  52  13.154  -9.038   2.085
  415   1HG   ARG  52           HG2      ARG  52  12.848  -9.535  -0.825
  416   2HG   ARG  52           HG1      ARG  52  14.333  -8.729  -0.320
  417   1HD   ARG  52           HD2      ARG  52  14.749 -10.533   1.319
  418   2HD   ARG  52           HD1      ARG  52  13.275 -11.347   0.792
  419    HE   ARG  52           HE       ARG  52  14.732 -11.025  -1.546
  420   1HH1  ARG  52          HH11      ARG  52  15.423 -12.250   1.606
  421   2HH1  ARG  52          HH12      ARG  52  16.492 -13.485   1.032
  422   1HH2  ARG  52          HH21      ARG  52  16.071 -12.676  -2.311
  423   2HH2  ARG  52          HH22      ARG  52  16.858 -13.727  -1.181
  424    H    GLU  53           HN       GLU  53  10.302  -6.698   1.215
  425    HA   GLU  53           HA       GLU  53   9.723  -6.633   4.048
  426   1HB   GLU  53           HB2      GLU  53   8.626  -4.952   1.772
  427   2HB   GLU  53           HB1      GLU  53   8.414  -4.595   3.487
  428   1HG   GLU  53           HG2      GLU  53  11.201  -5.083   2.645
  429   2HG   GLU  53           HG1      GLU  53  10.463  -3.625   1.975
  430    H    LEU  54           HN       LEU  54   8.293  -8.028   1.313
  431    HA   LEU  54           HA       LEU  54   5.539  -8.053   2.246
  432   1HB   LEU  54           HB2      LEU  54   7.081  -8.878  -0.107
  433   2HB   LEU  54           HB1      LEU  54   5.865 -10.072   0.329
  434    HG   LEU  54           HG       LEU  54   4.815  -8.541  -1.190
  435   1HD1  LEU  54          HD12      LEU  54   3.681  -9.124   1.090
  436   2HD1  LEU  54          HD11      LEU  54   3.959  -7.428   1.465
  437   3HD1  LEU  54          HD13      LEU  54   2.965  -7.871   0.078
  438   1HD2  LEU  54          HD21      LEU  54   6.139  -6.446   0.538
  439   2HD2  LEU  54          HD23      LEU  54   6.256  -6.662  -1.209
  440   3HD2  LEU  54          HD22      LEU  54   4.767  -6.043  -0.496
  441    H    GLN  55           HN       GLN  55   7.895 -10.677   1.644
  442    HA   GLN  55           HA       GLN  55   6.521 -12.675   3.116
  443   1HB   GLN  55           HB2      GLN  55   9.052 -13.509   3.463
  444   2HB   GLN  55           HB1      GLN  55   8.231 -13.652   1.911
  445   1HG   GLN  55           HG2      GLN  55   9.502 -12.025   0.937
  446   2HG   GLN  55           HG1      GLN  55   9.572 -11.055   2.409
  447   1HE2  GLN  55          HE22      GLN  55  12.921 -12.122   2.788
  448   2HE2  GLN  55          HE21      GLN  55  11.848 -10.814   2.639
  449    H    GLU  56           HN       GLU  56   9.269 -10.650   4.199
  450    HA   GLU  56           HA       GLU  56   9.455 -11.548   6.832
  451   1HB   GLU  56           HB2      GLU  56  10.321  -9.277   7.384
  452   2HB   GLU  56           HB1      GLU  56  11.032  -9.935   5.912
  453   1HG   GLU  56           HG2      GLU  56  10.481  -7.860   5.128
  454   2HG   GLU  56           HG1      GLU  56   8.946  -8.664   4.809
  455    H    GLU  57           HN       GLU  57   6.876  -9.703   5.413
  456    HA   GLU  57           HA       GLU  57   5.876  -8.707   7.971
  457   1HB   GLU  57           HB2      GLU  57   5.138  -8.464   5.130
  458   2HB   GLU  57           HB1      GLU  57   3.755  -8.526   6.225
  459   1HG   GLU  57           HG2      GLU  57   4.237  -6.506   7.151
  460   2HG   GLU  57           HG1      GLU  57   5.970  -6.828   7.152
  461    H    VAL  58           HN       VAL  58   3.717 -10.349   5.766
  462    HA   VAL  58           HA       VAL  58   2.597 -11.889   7.966
  463    HB   VAL  58           HB       VAL  58   1.971 -11.883   5.010
  464   1HG1  VAL  58          HG13      VAL  58   1.089 -13.621   7.018
  465   2HG1  VAL  58          HG12      VAL  58  -0.213 -12.446   6.822
  466   3HG1  VAL  58          HG11      VAL  58   0.351 -13.378   5.434
  467   1HG2  VAL  58          HG22      VAL  58   1.061 -10.236   7.363
  468   2HG2  VAL  58          HG21      VAL  58   1.645  -9.679   5.796
  469   3HG2  VAL  58          HG23      VAL  58   0.048 -10.414   5.931
  470    H    GLY  59           HN       GLY  59   3.361 -13.223   4.713
  471   1HA   GLY  59           HA2      GLY  59   5.480 -14.821   5.035
  472   2HA   GLY  59           HA1      GLY  59   4.363 -15.633   6.123
  473    H    ILE  60           HN       ILE  60   3.036 -14.216   3.180
  474    HA   ILE  60           HA       ILE  60   2.314 -16.932   2.300
  475    HB   ILE  60           HB       ILE  60   1.119 -15.765   0.444
  476   1HG1  ILE  60          HG12      ILE  60   1.396 -13.095   1.544
  477   2HG1  ILE  60          HG11      ILE  60   2.952 -13.730   1.005
  478   1HG2  ILE  60          HG23      ILE  60   0.621 -15.550   3.264
  479   2HG2  ILE  60          HG22      ILE  60   0.045 -14.086   2.466
  480   3HG2  ILE  60          HG21      ILE  60  -0.544 -15.665   1.945
  481   1HD1  ILE  60          HD13      ILE  60   0.556 -14.083  -0.760
  482   2HD1  ILE  60          HD12      ILE  60   1.354 -12.511  -0.712
  483   3HD1  ILE  60          HD11      ILE  60   2.257 -13.944  -1.204
  484    H    THR  61           HN       THR  61   2.631 -15.721  -0.631
  485    HA   THR  61           HA       THR  61   5.533 -15.697  -0.900
  486    HB   THR  61           HB       THR  61   3.955 -18.174  -1.471
  487    HG1  THR  61           HG1      THR  61   6.358 -17.392  -0.306
  488   1HG2  THR  61          HG23      THR  61   4.855 -17.425  -3.691
  489   2HG2  THR  61          HG22      THR  61   6.471 -17.415  -2.985
  490   3HG2  THR  61          HG21      THR  61   5.578 -18.930  -3.123
  491    HA   PRO  62           HA       PRO  62   3.714 -15.250  -5.315
  492   1HB   PRO  62           HB2      PRO  62   0.901 -15.534  -5.375
  493   2HB   PRO  62           HB1      PRO  62   2.091 -16.669  -6.021
  494   1HG   PRO  62           HG2      PRO  62   0.471 -16.909  -3.588
  495   2HG   PRO  62           HG1      PRO  62   1.382 -18.158  -4.447
  496   1HD   PRO  62           HD2      PRO  62   2.122 -16.976  -1.994
  497   2HD   PRO  62           HD1      PRO  62   3.159 -17.961  -3.042
  498    H    GLN  63           HN       GLN  63   1.839 -13.710  -6.249
  499    HA   GLN  63           HA       GLN  63   0.252 -11.888  -5.204
  500   1HB   GLN  63           HB2      GLN  63   1.635  -9.999  -4.312
  501   2HB   GLN  63           HB1      GLN  63   1.657 -11.412  -3.261
  502   1HG   GLN  63           HG2      GLN  63   3.861 -11.933  -3.787
  503   2HG   GLN  63           HG1      GLN  63   3.778 -11.149  -5.363
  504   1HE2  GLN  63          HE22      GLN  63   3.762  -8.112  -2.735
  505   2HE2  GLN  63          HE21      GLN  63   2.399  -9.076  -3.016
  506    H    HIS  64           HN       HIS  64   3.169 -12.409  -6.977
  507    HA   HIS  64           HA       HIS  64   4.035 -11.387  -8.920
  508   1HB   HIS  64           HB2      HIS  64   1.566 -12.483  -9.367
  509   2HB   HIS  64           HB1      HIS  64   1.333 -10.838  -9.961
  510    HD1  HIS  64           HD1      HIS  64   1.594 -10.991 -12.450
  511    HD2  HIS  64           HD2      HIS  64   4.573 -13.125 -10.405
  512    HE1  HIS  64           HE1      HIS  64   3.236 -11.849 -14.201
  513    H    PHE  65           HN       PHE  65   4.021  -9.582  -6.915
  514    HA   PHE  65           HA       PHE  65   2.584  -7.239  -6.983
  515   1HB   PHE  65           HB2      PHE  65   4.698  -6.078  -6.324
  516   2HB   PHE  65           HB1      PHE  65   4.437  -7.584  -5.439
  517    HD1  PHE  65           HD2      PHE  65   6.330  -5.991  -8.199
  518    HD2  PHE  65           HD1      PHE  65   5.882  -9.495  -5.766
  519    HE1  PHE  65           HE2      PHE  65   8.486  -6.865  -9.058
  520    HE2  PHE  65           HE1      PHE  65   8.034 -10.369  -6.616
  521    HZ   PHE  65           HZ       PHE  65   9.338  -9.055  -8.267
  522    H    SER  66           HN       SER  66   3.003  -5.157  -8.008
  523    HA   SER  66           HA       SER  66   4.560  -5.070 -10.490
  524   1HB   SER  66           HB2      SER  66   1.683  -5.589 -10.506
  525   2HB   SER  66           HB1      SER  66   2.090  -4.107 -11.364
  526    HG   SER  66           HG       SER  66   2.588  -5.457 -12.909
  527    H    LEU  67           HN       LEU  67   5.185  -2.925 -10.835
  528    HA   LEU  67           HA       LEU  67   4.796  -1.022  -8.761
  529   1HB   LEU  67           HB2      LEU  67   6.541  -1.123 -10.752
  530   2HB   LEU  67           HB1      LEU  67   5.372  -0.072 -11.540
  531    HG   LEU  67           HG       LEU  67   6.977   0.427  -9.047
  532   1HD1  LEU  67          HD12      LEU  67   6.969   1.327 -11.732
  533   2HD1  LEU  67          HD11      LEU  67   6.417   2.681 -10.748
  534   3HD1  LEU  67          HD13      LEU  67   7.970   1.918 -10.404
  535   1HD2  LEU  67          HD22      LEU  67   4.605   0.813  -8.424
  536   2HD2  LEU  67          HD21      LEU  67   5.498   2.331  -8.520
  537   3HD2  LEU  67          HD23      LEU  67   4.413   1.861  -9.830
  538    H    PHE  68           HN       PHE  68   3.669  -0.496 -12.070
  539    HA   PHE  68           HA       PHE  68   1.589   0.183 -12.890
  540   1HB   PHE  68           HB2      PHE  68  -0.119  -0.496 -11.599
  541   2HB   PHE  68           HB1      PHE  68   0.919  -0.599 -10.196
  542    HD1  PHE  68           HD2      PHE  68  -1.469   1.469 -12.055
  543    HD2  PHE  68           HD1      PHE  68   1.087   1.291  -8.608
  544    HE1  PHE  68           HE2      PHE  68  -2.616   3.447 -11.102
  545    HE2  PHE  68           HE1      PHE  68  -0.059   3.272  -7.657
  546    HZ   PHE  68           HZ       PHE  68  -1.910   4.351  -8.904
  547    H    GLU  69           HN       GLU  69   2.523   1.930  -9.909
  548    HA   GLU  69           HA       GLU  69   3.653   4.185 -11.041
  549   1HB   GLU  69           HB2      GLU  69   1.472   4.491 -12.285
  550   2HB   GLU  69           HB1      GLU  69   0.678   4.712 -10.729
  551   1HG   GLU  69           HG2      GLU  69   1.216   6.898 -11.632
  552   2HG   GLU  69           HG1      GLU  69   2.279   6.587 -10.258
  553    H    LYS  70           HN       LYS  70   4.600   5.101  -9.359
  554    HA   LYS  70           HA       LYS  70   3.222   4.982  -6.711
  555   1HB   LYS  70           HB2      LYS  70   5.493   5.172  -5.768
  556   2HB   LYS  70           HB1      LYS  70   5.367   3.777  -6.832
  557   1HG   LYS  70           HG2      LYS  70   6.479   4.924  -8.613
  558   2HG   LYS  70           HG1      LYS  70   6.372   6.470  -7.771
  559   1HD   LYS  70           HD2      LYS  70   7.775   4.202  -6.408
  560   2HD   LYS  70           HD1      LYS  70   8.616   5.053  -7.706
  561   1HE   LYS  70           HE2      LYS  70   7.611   7.155  -6.288
  562   2HE   LYS  70           HE1      LYS  70   7.894   5.991  -4.996
  563   1HZ   LYS  70           HZ3      LYS  70  10.091   5.904  -6.707
  564   2HZ   LYS  70           HZ2      LYS  70   9.772   7.543  -6.394
  565   3HZ   LYS  70           HZ1      LYS  70  10.039   6.466  -5.107
  566    H    LEU  71           HN       LEU  71   3.921   6.894  -5.242
  567    HA   LEU  71           HA       LEU  71   4.067   9.378  -6.897
  568   1HB   LEU  71           HB2      LEU  71   2.731  10.461  -5.026
  569   2HB   LEU  71           HB1      LEU  71   1.844   9.313  -6.020
  570    HG   LEU  71           HG       LEU  71   2.082   7.582  -4.309
  571   1HD1  LEU  71          HD13      LEU  71   3.911   9.607  -3.053
  572   2HD1  LEU  71          HD12      LEU  71   3.033   8.476  -2.024
  573   3HD1  LEU  71          HD11      LEU  71   4.145   7.870  -3.252
  574   1HD2  LEU  71          HD21      LEU  71   1.189  10.271  -3.230
  575   2HD2  LEU  71          HD23      LEU  71   0.183   9.069  -4.040
  576   3HD2  LEU  71          HD22      LEU  71   0.846   8.732  -2.441
  577    H    GLU  72           HN       GLU  72   4.812  11.284  -5.529
  578    HA   GLU  72           HA       GLU  72   6.604  10.555  -3.299
  579   1HB   GLU  72           HB2      GLU  72   7.749  10.580  -5.742
  580   2HB   GLU  72           HB1      GLU  72   7.834  12.305  -5.376
  581   1HG   GLU  72           HG2      GLU  72   8.926  11.775  -3.209
  582   2HG   GLU  72           HG1      GLU  72   8.893  10.058  -3.625
  583    H    TYR  73           HN       TYR  73   5.053  11.803  -2.121
  584    HA   TYR  73           HA       TYR  73   4.545  14.577  -2.880
  585   1HB   TYR  73           HB2      TYR  73   3.251  12.688  -1.274
  586   2HB   TYR  73           HB1      TYR  73   3.861  13.886  -0.132
  587    HD1  TYR  73           HD1      TYR  73   3.517  16.402  -0.838
  588    HD2  TYR  73           HD2      TYR  73   1.235  13.111  -2.387
  589    HE1  TYR  73           HE1      TYR  73   1.717  17.966  -1.506
  590    HE2  TYR  73           HE2      TYR  73  -0.567  14.676  -3.059
  591    HH   TYR  73           HH       TYR  73  -0.860  17.740  -1.907
  592    H    GLU  74           HN       GLU  74   5.882  16.222  -2.361
  593    HA   GLU  74           HA       GLU  74   8.047  15.673  -0.444
  594   1HB   GLU  74           HB2      GLU  74   7.805  17.248  -2.806
  595   2HB   GLU  74           HB1      GLU  74   8.136  18.355  -1.471
  596   1HG   GLU  74           HG2      GLU  74  10.051  16.938  -0.787
  597   2HG   GLU  74           HG1      GLU  74   9.740  15.876  -2.162
  598    H    PHE  75           HN       PHE  75   7.451  16.005   1.643
  599    HA   PHE  75           HA       PHE  75   5.387  17.929   2.368
  600   1HB   PHE  75           HB2      PHE  75   6.997  15.845   3.697
  601   2HB   PHE  75           HB1      PHE  75   6.614  17.222   4.724
  602    HD1  PHE  75           HD2      PHE  75   4.796  15.371   2.008
  603    HD2  PHE  75           HD1      PHE  75   4.740  16.821   6.051
  604    HE1  PHE  75           HE2      PHE  75   2.487  14.510   2.286
  605    HE2  PHE  75           HE1      PHE  75   2.432  15.959   6.329
  606    HZ   PHE  75           HZ       PHE  75   1.305  14.804   4.445
  607    HA   PRO  76           HA       PRO  76   7.539  21.593   3.393
  608   1HB   PRO  76           HB2      PRO  76   7.314  21.293   6.291
  609   2HB   PRO  76           HB1      PRO  76   6.508  22.463   5.232
  610   1HG   PRO  76           HG2      PRO  76   5.336  20.167   6.473
  611   2HG   PRO  76           HG1      PRO  76   4.571  21.257   5.308
  612   1HD   PRO  76           HD2      PRO  76   5.370  18.537   4.887
  613   2HD   PRO  76           HD1      PRO  76   4.677  19.654   3.695
  614    H    ASP  77           HN       ASP  77   8.292  18.831   5.460
  615    HA   ASP  77           HA       ASP  77  11.161  19.158   4.944
  616   1HB   ASP  77           HB2      ASP  77  10.062  20.320   7.270
  617   2HB   ASP  77           HB1      ASP  77  10.802  18.811   7.805
  618    H    ARG  78           HN       ARG  78   9.344  17.222   4.167
  619    HA   ARG  78           HA       ARG  78  10.434  14.859   5.571
  620   1HB   ARG  78           HB2      ARG  78   7.609  15.769   5.617
  621   2HB   ARG  78           HB1      ARG  78   7.849  14.054   5.259
  622   1HG   ARG  78           HG2      ARG  78   9.026  15.519   7.644
  623   2HG   ARG  78           HG1      ARG  78   7.616  14.461   7.699
  624   1HD   ARG  78           HD2      ARG  78   9.428  12.846   6.443
  625   2HD   ARG  78           HD1      ARG  78  10.483  13.771   7.511
  626    HE   ARG  78           HE       ARG  78   9.084  11.634   8.458
  627   1HH1  ARG  78          HH21      ARG  78   6.669  13.266   8.880
  628   2HH1  ARG  78          HH22      ARG  78   6.910  13.922  10.465
  629   1HH2  ARG  78          HH11      ARG  78  10.309  13.234  10.523
  630   2HH2  ARG  78          HH12      ARG  78   8.970  13.902  11.395
  631    H    HIS  79           HN       HIS  79  11.541  14.244   3.691
  632    HA   HIS  79           HA       HIS  79  10.184  14.202   1.093
  633   1HB   HIS  79           HB2      HIS  79  12.895  13.893   2.080
  634   2HB   HIS  79           HB1      HIS  79  12.494  12.587   0.964
  635    HD1  HIS  79           HD1      HIS  79  14.128  15.621   0.752
  636    HD2  HIS  79           HD2      HIS  79  10.798  14.116  -1.315
  637    HE1  HIS  79           HE1      HIS  79  13.926  16.949  -1.415
  638    H    ILE  80           HN       ILE  80   8.420  12.774   1.307
  639    HA   ILE  80           HA       ILE  80   9.019  10.005   2.224
  640    HB   ILE  80           HB       ILE  80   6.429  11.520   1.804
  641   1HG1  ILE  80          HG12      ILE  80   6.219  11.525   4.107
  642   2HG1  ILE  80          HG11      ILE  80   7.119  10.027   4.302
  643   1HG2  ILE  80          HG21      ILE  80   6.843   8.585   2.442
  644   2HG2  ILE  80          HG23      ILE  80   5.300   9.430   2.540
  645   3HG2  ILE  80          HG22      ILE  80   6.101   9.247   0.986
  646   1HD1  ILE  80          HD12      ILE  80   9.215  11.267   3.732
  647   2HD1  ILE  80          HD11      ILE  80   8.275  12.755   3.684
  648   3HD1  ILE  80          HD13      ILE  80   8.436  11.868   5.196
  649    H    THR  81           HN       THR  81   7.981   8.241   1.002
  650    HA   THR  81           HA       THR  81   7.406   8.740  -1.852
  651    HB   THR  81           HB       THR  81   9.352   6.557  -1.212
  652    HG1  THR  81           HG1      THR  81  10.005   9.294  -1.611
  653   1HG2  THR  81          HG22      THR  81   8.446   8.149  -3.560
  654   2HG2  THR  81          HG21      THR  81  10.127   7.614  -3.558
  655   3HG2  THR  81          HG23      THR  81   8.825   6.431  -3.442
  656    H    LEU  82           HN       LEU  82   6.175   6.918  -2.742
  657    HA   LEU  82           HA       LEU  82   5.557   4.759  -0.790
  658   1HB   LEU  82           HB2      LEU  82   3.875   6.938  -1.099
  659   2HB   LEU  82           HB1      LEU  82   3.158   5.721  -2.155
  660    HG   LEU  82           HG       LEU  82   3.801   4.236   0.070
  661   1HD1  LEU  82          HD12      LEU  82   3.329   7.081   0.840
  662   2HD1  LEU  82          HD11      LEU  82   2.559   5.835   1.824
  663   3HD1  LEU  82          HD13      LEU  82   4.311   5.854   1.635
  664   1HD2  LEU  82          HD22      LEU  82   1.676   4.234  -1.232
  665   2HD2  LEU  82          HD21      LEU  82   1.385   4.260   0.506
  666   3HD2  LEU  82          HD23      LEU  82   1.211   5.739  -0.440
  667    H    TRP  83           HN       TRP  83   6.842   3.530  -2.418
  668    HA   TRP  83           HA       TRP  83   6.130   3.252  -5.147
  669   1HB   TRP  83           HB2      TRP  83   7.149   1.148  -3.212
  670   2HB   TRP  83           HB1      TRP  83   7.089   0.947  -4.963
  671    HD1  TRP  83           HD1      TRP  83   8.839   2.954  -2.232
  672    HE1  TRP  83           HE1      TRP  83  11.002   4.021  -3.207
  673    HE3  TRP  83           HE3      TRP  83   8.226   1.726  -7.149
  674    HZ2  TRP  83           HZ2      TRP  83  12.258   4.284  -5.773
  675    HZ3  TRP  83           HZ3      TRP  83   9.913   2.393  -8.837
  676    HH2  TRP  83           HH2      TRP  83  11.927   3.669  -8.156
  677    H    PHE  84           HN       PHE  84   4.067   2.888  -5.852
  678    HA   PHE  84           HA       PHE  84   2.190   1.290  -4.234
  679   1HB   PHE  84           HB2      PHE  84   2.015   3.032  -6.656
  680   2HB   PHE  84           HB1      PHE  84   0.800   1.770  -6.467
  681    HD1  PHE  84           HD2      PHE  84   2.366   4.669  -4.701
  682    HD2  PHE  84           HD1      PHE  84  -0.977   1.981  -4.931
  683    HE1  PHE  84           HE2      PHE  84   1.148   6.040  -3.029
  684    HE2  PHE  84           HE1      PHE  84  -2.195   3.351  -3.263
  685    HZ   PHE  84           HZ       PHE  84  -1.134   5.380  -2.311
  686    H    TRP  85           HN       TRP  85   3.712  -0.678  -4.593
  687    HA   TRP  85           HA       TRP  85   3.723  -1.833  -7.269
  688   1HB   TRP  85           HB2      TRP  85   4.546  -2.785  -4.537
  689   2HB   TRP  85           HB1      TRP  85   4.451  -3.924  -5.882
  690    HD1  TRP  85           HD1      TRP  85   6.472  -1.024  -4.542
  691    HE1  TRP  85           HE1      TRP  85   8.599  -0.686  -5.992
  692    HE3  TRP  85           HE3      TRP  85   5.384  -4.218  -8.375
  693    HZ2  TRP  85           HZ2      TRP  85   9.655  -1.679  -8.464
  694    HZ3  TRP  85           HZ3      TRP  85   6.964  -4.502 -10.263
  695    HH2  TRP  85           HH2      TRP  85   9.096  -3.238 -10.312
  696    H    LEU  86           HN       LEU  86   1.415  -1.872  -7.784
  697    HA   LEU  86           HA       LEU  86  -0.475  -3.217  -6.079
  698   1HB   LEU  86           HB2      LEU  86  -0.458  -2.282  -8.921
  699   2HB   LEU  86           HB1      LEU  86  -1.686  -3.453  -8.448
  700    HG   LEU  86           HG       LEU  86  -2.678  -1.328  -8.094
  701   1HD1  LEU  86          HD12      LEU  86  -2.613  -3.055  -6.110
  702   2HD1  LEU  86          HD11      LEU  86  -1.623  -1.823  -5.330
  703   3HD1  LEU  86          HD13      LEU  86  -3.265  -1.438  -5.844
  704   1HD2  LEU  86          HD21      LEU  86   0.038  -0.541  -7.625
  705   2HD2  LEU  86          HD23      LEU  86  -1.372   0.489  -7.875
  706   3HD2  LEU  86          HD22      LEU  86  -0.938  -0.031  -6.246
  707    H    VAL  87           HN       VAL  87  -0.873  -5.350  -5.843
  708    HA   VAL  87           HA       VAL  87   0.501  -7.221  -7.728
  709    HB   VAL  87           HB       VAL  87   1.092  -8.561  -5.965
  710   1HG1  VAL  87          HG12      VAL  87   0.485  -5.914  -4.645
  711   2HG1  VAL  87          HG11      VAL  87   1.263  -7.235  -3.779
  712   3HG1  VAL  87          HG13      VAL  87   2.042  -6.530  -5.194
  713   1HG2  VAL  87          HG21      VAL  87  -1.273  -9.182  -5.480
  714   2HG2  VAL  87          HG23      VAL  87  -0.310  -9.023  -4.012
  715   3HG2  VAL  87          HG22      VAL  87  -1.424  -7.737  -4.481
  716    H    GLU  88           HN       GLU  88  -0.884  -9.521  -7.583
  717    HA   GLU  88           HA       GLU  88  -3.758  -9.005  -7.380
  718   1HB   GLU  88           HB2      GLU  88  -2.335  -8.961  -9.984
  719   2HB   GLU  88           HB1      GLU  88  -3.881  -9.808  -9.933
  720   1HG   GLU  88           HG2      GLU  88  -4.361  -7.469  -8.494
  721   2HG   GLU  88           HG1      GLU  88  -3.340  -6.937  -9.832
  722    H    ARG  89           HN       ARG  89  -1.515 -11.165  -6.693
  723    HA   ARG  89           HA       ARG  89  -3.408 -13.376  -6.945
  724   1HB   ARG  89           HB2      ARG  89  -2.194 -14.813  -8.376
  725   2HB   ARG  89           HB1      ARG  89  -2.183 -13.250  -9.191
  726   1HG   ARG  89           HG2      ARG  89   0.051 -13.416  -9.264
  727   2HG   ARG  89           HG1      ARG  89   0.060 -13.181  -7.517
  728   1HD   ARG  89           HD2      ARG  89   1.109 -15.220  -7.540
  729   2HD   ARG  89           HD1      ARG  89  -0.545 -15.821  -7.632
  730    HE   ARG  89           HE       ARG  89   0.177 -15.397 -10.285
  731   1HH1  ARG  89          HH21      ARG  89   1.166 -17.285  -7.581
  732   2HH1  ARG  89          HH22      ARG  89   2.019 -18.451  -8.536
  733   1HH2  ARG  89          HH11      ARG  89   1.403 -16.838 -11.541
  734   2HH2  ARG  89          HH12      ARG  89   2.153 -18.199 -10.774
  735    H    TRP  90           HN       TRP  90  -2.454 -12.356  -4.611
  736    HA   TRP  90           HA       TRP  90  -0.057 -13.652  -3.672
  737   1HB   TRP  90           HB2      TRP  90  -0.798 -12.997  -1.455
  738   2HB   TRP  90           HB1      TRP  90  -1.141 -11.681  -2.576
  739    HD1  TRP  90           HD1      TRP  90  -2.954 -14.792  -1.163
  740    HE1  TRP  90           HE1      TRP  90  -5.455 -14.225  -0.795
  741    HE3  TRP  90           HE3      TRP  90  -3.016  -9.984  -2.922
  742    HZ2  TRP  90           HZ2      TRP  90  -7.206 -12.021  -1.191
  743    HZ3  TRP  90           HZ3      TRP  90  -5.132  -8.684  -2.906
  744    HH2  TRP  90           HH2      TRP  90  -7.219  -9.694  -2.047
  745    H    GLU  91           HN       GLU  91  -0.098 -15.385  -1.949
  746    HA   GLU  91           HA       GLU  91  -1.911 -17.553  -2.815
  747   1HB   GLU  91           HB2      GLU  91   0.205 -18.458  -2.528
  748   2HB   GLU  91           HB1      GLU  91   0.600 -17.370  -1.204
  749   1HG   GLU  91           HG2      GLU  91  -0.868 -18.618   0.306
  750   2HG   GLU  91           HG1      GLU  91  -1.366 -19.672  -1.018
  751    H    GLY  92           HN       GLY  92  -3.521 -18.423  -1.547
  752   1HA   GLY  92           HA2      GLY  92  -5.302 -18.211   0.000
  753   2HA   GLY  92           HA1      GLY  92  -3.981 -18.513   1.121
  754    H    GLU  93           HN       GLU  93  -2.952 -16.654   2.127
  755    HA   GLU  93           HA       GLU  93  -4.825 -14.352   2.341
  756   1HB   GLU  93           HB2      GLU  93  -3.886 -13.950   4.489
  757   2HB   GLU  93           HB1      GLU  93  -4.048 -15.706   4.382
  758   1HG   GLU  93           HG2      GLU  93  -1.650 -15.785   3.585
  759   2HG   GLU  93           HG1      GLU  93  -1.531 -14.068   3.973
  760    HA   PRO  94           HA       PRO  94  -1.969 -11.610   0.446
  761   1HB   PRO  94           HB2      PRO  94  -2.481  -9.336   1.965
  762   2HB   PRO  94           HB1      PRO  94  -3.483  -9.892   0.614
  763   1HG   PRO  94           HG2      PRO  94  -4.032 -10.015   3.513
  764   2HG   PRO  94           HG1      PRO  94  -5.168 -10.104   2.157
  765   1HD   PRO  94           HD2      PRO  94  -4.266 -12.271   3.754
  766   2HD   PRO  94           HD1      PRO  94  -5.186 -12.389   2.239
  767    H    TRP  95           HN       TRP  95  -0.640  -9.452   1.668
  768    HA   TRP  95           HA       TRP  95   0.585  -9.913   4.142
  769   1HB   TRP  95           HB2      TRP  95   2.712 -10.938   3.567
  770   2HB   TRP  95           HB1      TRP  95   1.412 -12.005   3.052
  771    HD1  TRP  95           HD1      TRP  95   0.836  -9.891   0.467
  772    HE1  TRP  95           HE1      TRP  95   2.329 -10.227  -1.621
  773    HE3  TRP  95           HE3      TRP  95   4.668 -12.504   2.592
  774    HZ2  TRP  95           HZ2      TRP  95   4.837 -11.458  -2.260
  775    HZ3  TRP  95           HZ3      TRP  95   6.591 -13.245   1.223
  776    HH2  TRP  95           HH2      TRP  95   6.685 -12.727  -1.198
  777    H    GLY  96           HN       GLY  96  -0.161  -7.775   2.137
  778   1HA   GLY  96           HA2      GLY  96   2.491  -6.439   1.852
  779   2HA   GLY  96           HA1      GLY  96   1.036  -5.983   0.970
  780    H    LYS  97           HN       LYS  97  -0.125  -6.558   3.922
  781    HA   LYS  97           HA       LYS  97  -0.231  -3.721   4.582
  782   1HB   LYS  97           HB2      LYS  97  -1.683  -4.504   6.449
  783   2HB   LYS  97           HB1      LYS  97  -2.219  -5.082   4.870
  784   1HG   LYS  97           HG2      LYS  97  -1.742  -7.253   5.363
  785   2HG   LYS  97           HG1      LYS  97  -0.277  -6.839   6.242
  786   1HD   LYS  97           HD2      LYS  97  -1.356  -6.625   8.234
  787   2HD   LYS  97           HD1      LYS  97  -2.811  -5.962   7.490
  788   1HE   LYS  97           HE2      LYS  97  -3.721  -8.049   7.076
  789   2HE   LYS  97           HE1      LYS  97  -2.144  -8.828   6.944
  790   1HZ   LYS  97           HZ1      LYS  97  -1.879  -8.562   9.346
  791   2HZ   LYS  97           HZ3      LYS  97  -3.423  -7.871   9.449
  792   3HZ   LYS  97           HZ2      LYS  97  -3.250  -9.491   8.968
  793    H    GLU  98           HN       GLU  98   1.049  -2.681   5.985
  794    HA   GLU  98           HA       GLU  98   3.132  -4.159   7.432
  795   1HB   GLU  98           HB2      GLU  98   3.714  -2.032   6.419
  796   2HB   GLU  98           HB1      GLU  98   2.412  -1.217   7.283
  797   1HG   GLU  98           HG2      GLU  98   4.554  -0.805   8.413
  798   2HG   GLU  98           HG1      GLU  98   3.516  -1.792   9.439
  799    H    GLY  99           HN       GLY  99   1.629  -1.420   8.977
  800   1HA   GLY  99           HA2      GLY  99   0.873  -3.116  11.258
  801   2HA   GLY  99           HA1      GLY  99   0.901  -1.351  11.253
  802    H    GLN 100           HN       GLN 100  -0.452  -1.559   8.516
  803    HA   GLN 100           HA       GLN 100  -3.146  -1.076   9.316
  804   1HB   GLN 100           HB2      GLN 100  -1.632  -0.853   6.984
  805   2HB   GLN 100           HB1      GLN 100  -2.829  -2.081   6.580
  806   1HG   GLN 100           HG2      GLN 100  -4.300  -0.422   6.231
  807   2HG   GLN 100           HG1      GLN 100  -4.246  -0.085   7.962
  808   1HE2  GLN 100          HE22      GLN 100  -3.146   3.143   6.947
  809   2HE2  GLN 100          HE21      GLN 100  -4.452   2.247   7.558
  810    HA   PRO 101           HA       PRO 101  -4.720  -5.176   9.758
  811   1HB   PRO 101           HB2      PRO 101  -7.320  -4.512   8.765
  812   2HB   PRO 101           HB1      PRO 101  -6.816  -4.604  10.456
  813   1HG   PRO 101           HG2      PRO 101  -7.449  -2.243   8.936
  814   2HG   PRO 101           HG1      PRO 101  -6.936  -2.334  10.626
  815   1HD   PRO 101           HD2      PRO 101  -5.397  -1.447   8.338
  816   2HD   PRO 101           HD1      PRO 101  -4.917  -1.456  10.039
  817    H    GLY 102           HN       GLY 102  -5.451  -3.337   6.823
  818   1HA   GLY 102           HA2      GLY 102  -5.523  -3.986   4.576
  819   2HA   GLY 102           HA1      GLY 102  -4.474  -5.326   5.042
  820    H    GLU 103           HN       GLU 103  -7.364  -4.735   3.634
  821    HA   GLU 103           HA       GLU 103  -8.294  -7.468   4.275
  822   1HB   GLU 103           HB2      GLU 103 -10.417  -6.880   5.123
  823   2HB   GLU 103           HB1      GLU 103  -9.320  -5.774   5.943
  824   1HG   GLU 103           HG2      GLU 103 -10.858  -4.229   5.226
  825   2HG   GLU 103           HG1      GLU 103  -9.873  -4.280   3.768
  826    H    TRP 104           HN       TRP 104  -8.931  -8.403   2.368
  827    HA   TRP 104           HA       TRP 104  -8.864  -7.175  -0.125
  828   1HB   TRP 104           HB2      TRP 104 -11.033  -9.201   0.383
  829   2HB   TRP 104           HB1      TRP 104  -9.983  -9.029  -1.022
  830    HD1  TRP 104           HD1      TRP 104  -7.194  -9.256  -0.140
  831    HE1  TRP 104           HE1      TRP 104  -6.212 -11.266   1.164
  832    HE3  TRP 104           HE3      TRP 104 -11.504 -11.150   1.836
  833    HZ2  TRP 104           HZ2      TRP 104  -7.182 -13.393   2.831
  834    HZ3  TRP 104           HZ3      TRP 104 -11.449 -13.165   3.277
  835    HH2  TRP 104           HH2      TRP 104  -9.295 -14.288   3.776
  836    H    MET 105           HN       MET 105 -10.159  -5.739  -1.185
  837    HA   MET 105           HA       MET 105 -12.807  -5.157   0.074
  838   1HB   MET 105           HB2      MET 105 -11.131  -3.352   0.507
  839   2HB   MET 105           HB1      MET 105 -10.922  -3.162  -1.238
  840   1HG   MET 105           HG2      MET 105 -12.537  -1.522  -0.146
  841   2HG   MET 105           HG1      MET 105 -13.172  -2.413  -1.529
  842   1HE   MET 105           HE3      MET 105 -15.418  -2.752  -1.483
  843   2HE   MET 105           HE2      MET 105 -16.473  -2.868  -0.078
  844   3HE   MET 105           HE1      MET 105 -15.551  -1.393  -0.359
  845    H    SER 106           HN       SER 106 -14.437  -5.596  -1.331
  846    HA   SER 106           HA       SER 106 -13.846  -5.941  -4.186
  847   1HB   SER 106           HB2      SER 106 -16.618  -6.025  -3.834
  848   2HB   SER 106           HB1      SER 106 -15.538  -7.412  -3.888
  849    HG   SER 106           HG       SER 106 -16.627  -7.508  -1.962
  850    H    LEU 107           HN       LEU 107 -13.274  -3.373  -3.450
  851    HA   LEU 107           HA       LEU 107 -15.334  -1.448  -3.598
  852   1HB   LEU 107           HB2      LEU 107 -12.958  -1.020  -2.940
  853   2HB   LEU 107           HB1      LEU 107 -12.486  -1.233  -4.625
  854    HG   LEU 107           HG       LEU 107 -14.571   0.791  -3.795
  855   1HD1  LEU 107          HD13      LEU 107 -11.693   0.806  -3.339
  856   2HD1  LEU 107          HD12      LEU 107 -12.184   2.136  -4.388
  857   3HD1  LEU 107          HD11      LEU 107 -12.913   1.957  -2.792
  858   1HD2  LEU 107          HD23      LEU 107 -12.903   0.215  -6.245
  859   2HD2  LEU 107          HD22      LEU 107 -14.645   0.455  -6.135
  860   3HD2  LEU 107          HD21      LEU 107 -13.562   1.827  -5.968
  861    H    VAL 108           HN       VAL 108 -13.278  -2.826  -6.153
  862    HA   VAL 108           HA       VAL 108 -13.827  -3.233  -8.417
  863    HB   VAL 108           HB       VAL 108 -16.361  -1.649  -7.882
  864   1HG1  VAL 108          HG12      VAL 108 -15.452  -3.401 -10.160
  865   2HG1  VAL 108          HG11      VAL 108 -17.080  -2.745  -9.984
  866   3HG1  VAL 108          HG13      VAL 108 -15.711  -1.657 -10.206
  867   1HG2  VAL 108          HG23      VAL 108 -15.838  -4.017  -6.719
  868   2HG2  VAL 108          HG22      VAL 108 -17.442  -3.620  -7.336
  869   3HG2  VAL 108          HG21      VAL 108 -16.345  -4.605  -8.303
  870    H    GLY 109           HN       GLY 109 -12.400  -2.048  -9.585
  871   1HA   GLY 109           HA2      GLY 109 -11.241  -0.133 -10.353
  872   2HA   GLY 109           HA1      GLY 109 -12.867   0.365 -10.827
  873    H    LEU 110           HN       LEU 110 -10.504   0.521  -8.190
  874    HA   LEU 110           HA       LEU 110 -11.806   1.986  -6.259
  875   1HB   LEU 110           HB2      LEU 110  -9.075   1.665  -7.089
  876   2HB   LEU 110           HB1      LEU 110  -9.375   3.343  -6.592
  877    HG   LEU 110           HG       LEU 110 -10.568   1.219  -4.893
  878   1HD1  LEU 110          HD13      LEU 110  -8.312   0.318  -5.349
  879   2HD1  LEU 110          HD12      LEU 110  -7.605   1.857  -4.852
  880   3HD1  LEU 110          HD11      LEU 110  -8.463   0.861  -3.677
  881   1HD2  LEU 110          HD22      LEU 110 -10.799   3.657  -4.464
  882   2HD2  LEU 110          HD21      LEU 110  -9.980   2.825  -3.143
  883   3HD2  LEU 110          HD23      LEU 110  -9.048   3.771  -4.300
  884    H    ASN 111           HN       ASN 111 -11.815   4.401  -5.841
  885    HA   ASN 111           HA       ASN 111 -12.078   5.955  -8.377
  886   1HB   ASN 111           HB2      ASN 111 -14.238   4.949  -7.249
  887   2HB   ASN 111           HB1      ASN 111 -14.081   6.362  -6.196
  888   1HD2  ASN 111          HD22      ASN 111 -15.653   6.889  -9.829
  889   2HD2  ASN 111          HD21      ASN 111 -15.521   5.381  -9.060
  890    H    ALA 112           HN       ALA 112 -10.863   5.861  -5.214
  891    HA   ALA 112           HA       ALA 112  -9.571   7.525  -4.116
  892   1HB   ALA 112           HB3      ALA 112  -9.374   8.607  -6.434
  893   2HB   ALA 112           HB2      ALA 112 -10.760   9.594  -5.967
  894   3HB   ALA 112           HB1      ALA 112  -9.262   9.686  -5.045
  895    H    ASP 113           HN       ASP 113 -12.936   7.869  -4.948
  896    HA   ASP 113           HA       ASP 113 -13.775   9.846  -3.112
  897   1HB   ASP 113           HB2      ASP 113 -14.943   8.034  -4.903
  898   2HB   ASP 113           HB1      ASP 113 -15.614   7.596  -3.343
  899    H    ASP 114           HN       ASP 114 -12.731   6.579  -2.734
  900    HA   ASP 114           HA       ASP 114 -13.629   6.509   0.103
  901   1HB   ASP 114           HB2      ASP 114 -12.857   4.464  -1.955
  902   2HB   ASP 114           HB1      ASP 114 -12.710   4.060  -0.237
  903    H    PHE 115           HN       PHE 115 -10.878   7.098  -1.839
  904    HA   PHE 115           HA       PHE 115  -8.969   6.322   0.295
  905   1HB   PHE 115           HB2      PHE 115  -8.795   6.905  -2.586
  906   2HB   PHE 115           HB1      PHE 115  -7.480   7.578  -1.636
  907    HD1  PHE 115           HD1      PHE 115  -9.317   4.446  -2.394
  908    HD2  PHE 115           HD2      PHE 115  -5.755   6.190  -0.763
  909    HE1  PHE 115           HE1      PHE 115  -8.253   2.205  -2.326
  910    HE2  PHE 115           HE2      PHE 115  -4.690   3.953  -0.686
  911    HZ   PHE 115           HZ       PHE 115  -5.934   1.963  -1.474
  912    HA   PRO 116           HA       PRO 116  -8.778  10.377   2.025
  913   1HB   PRO 116           HB2      PRO 116  -5.941  10.017   2.536
  914   2HB   PRO 116           HB1      PRO 116  -7.267  10.025   3.695
  915   1HG   PRO 116           HG2      PRO 116  -5.756   7.771   2.870
  916   2HG   PRO 116           HG1      PRO 116  -7.240   7.744   3.833
  917   1HD   PRO 116           HD2      PRO 116  -6.872   6.952   1.051
  918   2HD   PRO 116           HD1      PRO 116  -8.307   6.756   2.079
  919    HA   PRO 117           HA       PRO 117  -7.341  12.631  -1.539
  920   1HB   PRO 117           HB2      PRO 117  -7.211  15.057   0.022
  921   2HB   PRO 117           HB1      PRO 117  -8.420  14.588  -1.181
  922   1HG   PRO 117           HG2      PRO 117  -8.739  14.677   1.678
  923   2HG   PRO 117           HG1      PRO 117  -9.933  14.179   0.474
  924   1HD   PRO 117           HD2      PRO 117  -8.509  12.503   2.334
  925   2HD   PRO 117           HD1      PRO 117  -9.686  12.005   1.101
  926    H    ALA 118           HN       ALA 118  -5.670  12.393   1.486
  927    HA   ALA 118           HA       ALA 118  -3.417  14.028   1.117
  928   1HB   ALA 118           HB1      ALA 118  -3.989  11.519   2.562
  929   2HB   ALA 118           HB3      ALA 118  -2.291  11.748   2.146
  930   3HB   ALA 118           HB2      ALA 118  -3.133  12.962   3.108
  931    H    ASN 119           HN       ASN 119  -3.710  10.609   0.107
  932    HA   ASN 119           HA       ASN 119  -1.391  10.910  -1.679
  933   1HB   ASN 119           HB2      ASN 119  -3.131   8.649  -0.748
  934   2HB   ASN 119           HB1      ASN 119  -2.163   8.438  -2.208
  935   1HD2  ASN 119          HD22      ASN 119   0.299   7.411   0.193
  936   2HD2  ASN 119          HD21      ASN 119  -0.876   6.827  -0.878
  937    H    GLU 120           HN       GLU 120  -3.332  12.629  -2.447
  938    HA   GLU 120           HA       GLU 120  -5.319  11.789  -4.247
  939   1HB   GLU 120           HB2      GLU 120  -3.989  14.216  -3.494
  940   2HB   GLU 120           HB1      GLU 120  -4.229  14.195  -5.243
  941   1HG   GLU 120           HG2      GLU 120  -6.637  13.227  -4.349
  942   2HG   GLU 120           HG1      GLU 120  -6.224  14.379  -3.078
  943    HA   PRO 121           HA       PRO 121  -1.898  12.477  -7.714
  944   1HB   PRO 121           HB2      PRO 121   0.423  11.238  -6.448
  945   2HB   PRO 121           HB1      PRO 121   0.304  12.787  -7.296
  946   1HG   PRO 121           HG2      PRO 121   0.558  12.461  -4.515
  947   2HG   PRO 121           HG1      PRO 121   0.051  13.943  -5.337
  948   1HD   PRO 121           HD2      PRO 121  -1.550  12.096  -3.747
  949   2HD   PRO 121           HD1      PRO 121  -1.991  13.707  -4.347
  950    H    VAL 122           HN       VAL 122  -1.076   9.654  -5.654
  951    HA   VAL 122           HA       VAL 122  -1.157   7.899  -7.975
  952    HB   VAL 122           HB       VAL 122  -0.527   7.666  -5.090
  953   1HG1  VAL 122          HG11      VAL 122  -1.824   5.511  -6.689
  954   2HG1  VAL 122          HG13      VAL 122  -0.438   5.048  -5.705
  955   3HG1  VAL 122          HG12      VAL 122  -1.850   5.781  -4.947
  956   1HG2  VAL 122          HG22      VAL 122   0.776   7.474  -7.644
  957   2HG2  VAL 122          HG21      VAL 122   1.506   7.491  -6.043
  958   3HG2  VAL 122          HG23      VAL 122   1.014   5.963  -6.767
  959    H    ILE 123           HN       ILE 123  -3.342   8.720  -5.324
  960    HA   ILE 123           HA       ILE 123  -5.213   6.584  -5.766
  961    HB   ILE 123           HB       ILE 123  -5.417   9.330  -4.524
  962   1HG1  ILE 123          HG12      ILE 123  -6.274   6.796  -3.198
  963   2HG1  ILE 123          HG11      ILE 123  -4.546   7.015  -3.472
  964   1HG2  ILE 123          HG22      ILE 123  -7.662   7.422  -5.203
  965   2HG2  ILE 123          HG21      ILE 123  -7.796   8.588  -3.885
  966   3HG2  ILE 123          HG23      ILE 123  -7.559   9.151  -5.541
  967   1HD1  ILE 123          HD13      ILE 123  -6.108   9.299  -2.326
  968   2HD1  ILE 123          HD12      ILE 123  -5.692   7.953  -1.269
  969   3HD1  ILE 123          HD11      ILE 123  -4.421   8.863  -2.072
  970    H    ALA 124           HN       ALA 124  -4.436   9.523  -7.383
  971    HA   ALA 124           HA       ALA 124  -6.816  10.019  -8.858
  972   1HB   ALA 124           HB2      ALA 124  -3.920  10.477  -9.624
  973   2HB   ALA 124           HB1      ALA 124  -5.313  11.216 -10.416
  974   3HB   ALA 124           HB3      ALA 124  -4.942  11.609  -8.738
  975    H    LYS 125           HN       LYS 125  -4.239   7.733  -9.207
  976    HA   LYS 125           HA       LYS 125  -4.932   6.940 -11.924
  977   1HB   LYS 125           HB2      LYS 125  -3.104   5.720  -9.846
  978   2HB   LYS 125           HB1      LYS 125  -3.237   5.153 -11.514
  979   1HG   LYS 125           HG2      LYS 125  -2.529   7.986 -10.707
  980   2HG   LYS 125           HG1      LYS 125  -1.359   6.762 -11.209
  981   1HD   LYS 125           HD2      LYS 125  -3.328   6.719 -13.201
  982   2HD   LYS 125           HD1      LYS 125  -3.082   8.430 -12.849
  983   1HE   LYS 125           HE2      LYS 125  -1.504   7.783 -14.569
  984   2HE   LYS 125           HE1      LYS 125  -0.607   8.052 -13.074
  985   1HZ   LYS 125           HZ2      LYS 125  -1.205   5.479 -12.825
  986   2HZ   LYS 125           HZ1      LYS 125  -1.108   5.584 -14.518
  987   3HZ   LYS 125           HZ3      LYS 125   0.221   6.034 -13.565
  988    H    LEU 126           HN       LEU 126  -5.512   5.577  -8.656
  989    HA   LEU 126           HA       LEU 126  -6.762   3.181  -9.671
  990   1HB   LEU 126           HB2      LEU 126  -7.304   4.575  -7.031
  991   2HB   LEU 126           HB1      LEU 126  -7.705   2.908  -7.436
  992    HG   LEU 126           HG       LEU 126  -5.699   2.303  -6.609
  993   1HD1  LEU 126          HD11      LEU 126  -5.114   2.643  -9.112
  994   2HD1  LEU 126          HD13      LEU 126  -4.254   4.082  -8.567
  995   3HD1  LEU 126          HD12      LEU 126  -3.785   2.493  -7.967
  996   1HD2  LEU 126          HD23      LEU 126  -5.869   4.749  -5.592
  997   2HD2  LEU 126          HD22      LEU 126  -4.397   3.794  -5.418
  998   3HD2  LEU 126          HD21      LEU 126  -4.498   5.041  -6.661
  999    H    LYS 127           HN       LYS 127  -7.731   6.457  -9.363
 1000    HA   LYS 127           HA       LYS 127 -10.563   6.200  -9.298
 1001   1HB   LYS 127           HB2      LYS 127  -9.020   8.208 -10.953
 1002   2HB   LYS 127           HB1      LYS 127 -10.590   8.437 -10.160
 1003   1HG   LYS 127           HG2      LYS 127  -9.030   7.731  -8.033
 1004   2HG   LYS 127           HG1      LYS 127  -7.872   8.590  -9.040
 1005   1HD   LYS 127           HD2      LYS 127 -10.567   9.673  -8.187
 1006   2HD   LYS 127           HD1      LYS 127  -9.013  10.150  -7.504
 1007   1HE   LYS 127           HE2      LYS 127  -8.316  11.193  -9.506
 1008   2HE   LYS 127           HE1      LYS 127  -9.545  10.368 -10.463
 1009   1HZ   LYS 127           HZ1      LYS 127 -10.762  11.840  -8.382
 1010   2HZ   LYS 127           HZ3      LYS 127  -9.736  12.858  -9.268
 1011   3HZ   LYS 127           HZ2      LYS 127 -10.967  11.997 -10.061
 1012    H    ARG 128           HN       ARG 128  -8.159   5.898 -11.771
 1013    HA   ARG 128           HA       ARG 128 -10.095   5.518 -13.948
 1014   1HB   ARG 128           HB2      ARG 128  -7.245   4.822 -14.342
 1015   2HB   ARG 128           HB1      ARG 128  -8.295   5.828 -15.337
 1016   1HG   ARG 128           HG2      ARG 128  -8.118   7.493 -13.293
 1017   2HG   ARG 128           HG1      ARG 128  -6.646   6.583 -12.941
 1018   1HD   ARG 128           HD2      ARG 128  -5.651   7.992 -14.408
 1019   2HD   ARG 128           HD1      ARG 128  -6.424   7.007 -15.651
 1020    HE   ARG 128           HE       ARG 128  -8.366   8.862 -14.987
 1021   1HH1  ARG 128          HH11      ARG 128  -5.619  10.316 -14.426
 1022   2HH1  ARG 128          HH12      ARG 128  -5.499  11.250 -15.880
 1023   1HH2  ARG 128          HH21      ARG 128  -7.988   9.485 -17.530
 1024   2HH2  ARG 128          HH22      ARG 128  -6.841  10.779 -17.638
 1025    H    LEU 129           HN       LEU 129  -8.307   3.657 -11.648
 1026    HA   LEU 129           HA       LEU 129  -7.842   1.202 -12.780
 1027   1HB   LEU 129           HB2      LEU 129  -8.235   2.154 -10.173
 1028   2HB   LEU 129           HB1      LEU 129  -9.322   0.776 -10.335
 1029    HG   LEU 129           HG       LEU 129  -7.456  -0.612 -11.129
 1030   1HD1  LEU 129          HD12      LEU 129  -5.987   2.015 -10.919
 1031   2HD1  LEU 129          HD11      LEU 129  -5.119   0.484 -10.821
 1032   3HD1  LEU 129          HD13      LEU 129  -6.033   0.887 -12.273
 1033   1HD2  LEU 129          HD23      LEU 129  -7.930   0.057  -8.580
 1034   2HD2  LEU 129          HD22      LEU 129  -6.578  -0.987  -9.022
 1035   3HD2  LEU 129          HD21      LEU 129  -6.305   0.728  -8.717
 1036   3HOG  APC 130           H5T      ATP 130   5.184   1.897  10.342
 1037   1H3A  APC 130           H3P      ATP 130   7.712   2.573   7.067
 1038   2H3A  APC 130          H3P'      ATP 130   6.260   1.685   7.580
 1039   1H5*  APC 130           H5'      ATP 130   7.300   5.068   6.742
 1040   2H5*  APC 130          H5''      ATP 130   9.002   5.387   7.133
 1041    H4*  APC 130           H4'      ATP 130   8.425   7.228   8.537
 1042    H3*  APC 130           H3'      ATP 130   5.904   5.824   8.630
 1043   *HO3  APC 130          H3''      ATP 130   7.132   7.888  10.211
 1044    H2*  APC 130          H2''      ATP 130   4.527   7.275   7.730
 1045   *HO2  APC 130           H2'      ATP 130   4.171   9.099   8.718
 1046    H1*  APC 130           H1'      ATP 130   6.324   9.412   6.993
 1047    H8   APC 130           H8       ATP 130   5.568   6.017   5.389
 1048    H2   APC 130           H2       ATP 130   3.631  12.044   4.509
 1049   1HN6  APC 130           H61      ATP 130   2.342   7.549   2.078
 1050   2HN6  APC 130           H62      ATP 130   1.719   9.132   1.678
 1051   1HN1  CON 131          H1N1      ATP 130  11.790   2.738  12.234
 1052   2HN1  CON 131          H2N1      ATP 130  11.333   3.319  10.858
 1053   3HN1  CON 131          H3N1      ATP 130  11.851   1.848  10.951
 1054   1HN2  CON 131          H1N2      ATP 130   9.308   0.786  14.117
 1055   2HN2  CON 131          H2N2      ATP 130  10.797   1.150  13.810
 1056   3HN2  CON 131          H3N2      ATP 130   9.805   2.260  14.292
 1057   1HN3  CON 131          H1N3      ATP 130   9.008   4.422  11.586
 1058   2HN3  CON 131          H2N3      ATP 130   9.275   4.089  13.089
 1059   3HN3  CON 131          H3N3      ATP 130   7.862   3.837  12.474
 1060   1HN4  CON 131          H1N4      ATP 130  10.039  -0.632  12.032
 1061   2HN4  CON 131          H2N4      ATP 130   9.303  -0.482  10.661
 1062   3HN4  CON 131          H3N4      ATP 130  10.807  -0.070  10.790
 1063   1HO1  MO2 132          H1O1      MG  131  10.159  -2.422   7.025
 1064   2HO1  MO2 132          H2O1      MG  131   9.096  -1.765   7.868
 1065   1HO2  MO2 132          H1O2      MG  131   8.312  -4.435   9.359
 1066   2HO2  MO2 132          H2O2      MG  131   7.641  -5.684   8.842
   
  No H/Q in entry =        1066
  Start of MODEL    7
    1   1H    MET   1           HT3      MET   1  13.468  16.030   7.309
    2   2H    MET   1           HT2      MET   1  14.021  17.627   7.489
    3   3H    MET   1           HT1      MET   1  13.066  17.201   6.149
    4    HA   MET   1           HA       MET   1  15.010  17.033   5.076
    5   1HB   MET   1           HB2      MET   1  17.156  16.590   6.355
    6   2HB   MET   1           HB1      MET   1  16.319  18.077   6.802
    7   1HG   MET   1           HG2      MET   1  15.170  16.686   8.632
    8   2HG   MET   1           HG1      MET   1  16.385  15.452   8.298
    9   1HE   MET   1           HE3      MET   1  17.627  15.071   9.755
   10   2HE   MET   1           HE2      MET   1  19.029  16.001  10.280
   11   3HE   MET   1           HE1      MET   1  17.552  16.033  11.238
   12    H    LYS   2           HN       LYS   2  14.733  14.670   7.743
   13    HA   LYS   2           HA       LYS   2  15.994  12.471   6.595
   14   1HB   LYS   2           HB2      LYS   2  14.251  11.076   7.827
   15   2HB   LYS   2           HB1      LYS   2  15.117  12.251   8.811
   16   1HG   LYS   2           HG2      LYS   2  12.856  12.570   9.423
   17   2HG   LYS   2           HG1      LYS   2  13.168  13.864   8.269
   18   1HD   LYS   2           HD2      LYS   2  11.001  12.592   7.901
   19   2HD   LYS   2           HD1      LYS   2  12.066  12.672   6.501
   20   1HE   LYS   2           HE2      LYS   2  12.460  10.432   6.518
   21   2HE   LYS   2           HE1      LYS   2  12.572  10.373   8.277
   22   1HZ   LYS   2           HZ2      LYS   2   9.929  10.990   7.502
   23   2HZ   LYS   2           HZ1      LYS   2  10.437   9.585   6.693
   24   3HZ   LYS   2           HZ3      LYS   2  10.496   9.654   8.387
   25    H    LYS   3           HN       LYS   3  14.660  10.441   5.748
   26    HA   LYS   3           HA       LYS   3  12.403  11.139   4.013
   27   1HB   LYS   3           HB2      LYS   3  14.112  11.916   2.540
   28   2HB   LYS   3           HB1      LYS   3  15.145  10.531   2.894
   29   1HG   LYS   3           HG2      LYS   3  13.566   9.024   1.798
   30   2HG   LYS   3           HG1      LYS   3  12.445  10.358   1.518
   31   1HD   LYS   3           HD2      LYS   3  13.716  11.253  -0.180
   32   2HD   LYS   3           HD1      LYS   3  15.235  10.696   0.524
   33   1HE   LYS   3           HE2      LYS   3  15.049   8.576  -0.396
   34   2HE   LYS   3           HE1      LYS   3  13.288   8.649  -0.464
   35   1HZ   LYS   3           HZ3      LYS   3  14.508  10.666  -2.070
   36   2HZ   LYS   3           HZ2      LYS   3  15.007   9.111  -2.535
   37   3HZ   LYS   3           HZ1      LYS   3  13.354   9.500  -2.498
   38    H    LEU   4           HN       LEU   4  11.331   9.273   3.225
   39    HA   LEU   4           HA       LEU   4  12.537   6.644   3.589
   40   1HB   LEU   4           HB2      LEU   4  11.365   5.840   5.395
   41   2HB   LEU   4           HB1      LEU   4  11.488   7.523   5.877
   42    HG   LEU   4           HG       LEU   4   9.253   6.921   6.262
   43   1HD1  LEU   4          HD12      LEU   4   9.818   8.730   4.112
   44   2HD1  LEU   4          HD11      LEU   4   8.241   7.977   3.886
   45   3HD1  LEU   4          HD13      LEU   4   8.600   8.844   5.378
   46   1HD2  LEU   4          HD22      LEU   4   9.664   5.173   3.995
   47   2HD2  LEU   4          HD21      LEU   4   8.455   5.066   5.273
   48   3HD2  LEU   4          HD23      LEU   4   8.143   6.048   3.843
   49    H    GLN   5           HN       GLN   5  11.482   5.056   2.405
   50    HA   GLN   5           HA       GLN   5   9.221   6.068   0.741
   51   1HB   GLN   5           HB2      GLN   5  11.249   3.883   0.171
   52   2HB   GLN   5           HB1      GLN   5   9.886   4.275  -0.873
   53   1HG   GLN   5           HG2      GLN   5  11.470   5.627  -1.865
   54   2HG   GLN   5           HG1      GLN   5  10.900   6.746  -0.625
   55   1HE2  GLN   5          HE22      GLN   5  14.744   5.797  -0.599
   56   2HE2  GLN   5          HE21      GLN   5  13.718   5.688  -1.947
   57    H    ILE   6           HN       ILE   6   7.650   4.276   0.130
   58    HA   ILE   6           HA       ILE   6   7.421   2.335   2.384
   59    HB   ILE   6           HB       ILE   6   5.504   4.372   1.355
   60   1HG1  ILE   6          HG12      ILE   6   6.879   4.191   3.618
   61   2HG1  ILE   6          HG11      ILE   6   5.248   4.847   3.599
   62   1HG2  ILE   6          HG22      ILE   6   4.354   2.240   0.846
   63   2HG2  ILE   6          HG21      ILE   6   4.606   1.713   2.511
   64   3HG2  ILE   6          HG23      ILE   6   3.567   3.098   2.171
   65   1HD1  ILE   6          HD12      ILE   6   4.353   2.615   4.214
   66   2HD1  ILE   6          HD11      ILE   6   5.999   1.988   4.278
   67   3HD1  ILE   6          HD13      ILE   6   5.479   3.221   5.427
   68    H    ALA   7           HN       ALA   7   7.594   0.353   1.530
   69    HA   ALA   7           HA       ALA   7   6.918  -0.142  -1.288
   70   1HB   ALA   7           HB1      ALA   7   8.822  -1.189   0.343
   71   2HB   ALA   7           HB3      ALA   7   7.559  -2.409   0.515
   72   3HB   ALA   7           HB2      ALA   7   8.204  -2.025  -1.082
   73    H    VAL   8           HN       VAL   8   4.593   0.571  -0.431
   74    HA   VAL   8           HA       VAL   8   3.134  -1.534   0.954
   75    HB   VAL   8           HB       VAL   8   2.243   0.596   1.389
   76   1HG1  VAL   8          HG12      VAL   8   3.171   1.194  -1.269
   77   2HG1  VAL   8          HG11      VAL   8   1.484   1.678  -1.125
   78   3HG1  VAL   8          HG13      VAL   8   2.682   2.311   0.002
   79   1HG2  VAL   8          HG22      VAL   8   0.645  -1.298   0.278
   80   2HG2  VAL   8          HG21      VAL   8   0.033   0.232   0.904
   81   3HG2  VAL   8          HG23      VAL   8   0.338   0.043  -0.823
   82    H    GLY   9           HN       GLY   9   2.401  -0.108  -2.276
   83   1HA   GLY   9           HA2      GLY   9   1.591  -1.202  -4.185
   84   2HA   GLY   9           HA1      GLY   9   2.574  -2.582  -3.671
   85    H    ILE  10           HN       ILE  10  -0.518  -1.004  -3.328
   86    HA   ILE  10           HA       ILE  10  -1.791  -2.679  -1.494
   87    HB   ILE  10           HB       ILE  10  -3.574  -2.213  -3.753
   88   1HG1  ILE  10          HG12      ILE  10  -2.132   0.209  -2.616
   89   2HG1  ILE  10          HG11      ILE  10  -1.932  -0.401  -4.260
   90   1HG2  ILE  10          HG22      ILE  10  -3.829  -2.429  -1.090
   91   2HG2  ILE  10          HG21      ILE  10  -3.707  -0.674  -1.193
   92   3HG2  ILE  10          HG23      ILE  10  -4.988  -1.521  -2.060
   93   1HD1  ILE  10          HD11      ILE  10  -4.615  -0.210  -4.209
   94   2HD1  ILE  10          HD13      ILE  10  -4.226   1.056  -3.045
   95   3HD1  ILE  10          HD12      ILE  10  -3.581   1.138  -4.684
   96    H    ILE  11           HN       ILE  11  -3.365  -4.500  -2.068
   97    HA   ILE  11           HA       ILE  11  -2.207  -6.103  -4.295
   98    HB   ILE  11           HB       ILE  11  -2.631  -8.092  -2.641
   99   1HG1  ILE  11          HG12      ILE  11  -2.422  -5.698  -0.762
  100   2HG1  ILE  11          HG11      ILE  11  -3.795  -6.803  -0.916
  101   1HG2  ILE  11          HG21      ILE  11  -0.409  -6.286  -3.093
  102   2HG2  ILE  11          HG23      ILE  11  -0.349  -6.920  -1.450
  103   3HG2  ILE  11          HG22      ILE  11  -0.377  -8.026  -2.819
  104   1HD1  ILE  11          HD13      ILE  11  -1.053  -7.846  -0.239
  105   2HD1  ILE  11          HD12      ILE  11  -2.122  -7.223   1.018
  106   3HD1  ILE  11          HD11      ILE  11  -2.620  -8.604   0.041
  107    H    ARG  12           HN       ARG  12  -4.150  -5.288  -5.425
  108    HA   ARG  12           HA       ARG  12  -6.767  -6.244  -4.484
  109   1HB   ARG  12           HB2      ARG  12  -7.292  -5.521  -7.022
  110   2HB   ARG  12           HB1      ARG  12  -7.237  -4.354  -5.715
  111   1HG   ARG  12           HG2      ARG  12  -4.914  -3.833  -6.227
  112   2HG   ARG  12           HG1      ARG  12  -4.874  -5.086  -7.461
  113   1HD   ARG  12           HD2      ARG  12  -6.939  -2.902  -7.636
  114   2HD   ARG  12           HD1      ARG  12  -5.288  -2.598  -8.182
  115    HE   ARG  12           HE       ARG  12  -5.976  -5.007  -9.391
  116   1HH1  ARG  12          HH21      ARG  12  -8.698  -4.501  -9.770
  117   2HH1  ARG  12          HH22      ARG  12  -8.798  -3.397 -11.100
  118   1HH2  ARG  12          HH11      ARG  12  -5.475  -2.428 -10.888
  119   2HH2  ARG  12          HH12      ARG  12  -6.969  -2.235 -11.743
  120    H    ASN  13           HN       ASN  13  -7.914  -8.083  -5.463
  121    HA   ASN  13           HA       ASN  13  -6.592  -9.362  -7.725
  122   1HB   ASN  13           HB2      ASN  13  -5.519 -11.100  -6.714
  123   2HB   ASN  13           HB1      ASN  13  -5.379  -9.892  -5.433
  124   1HD2  ASN  13          HD22      ASN  13  -7.679 -13.209  -4.861
  125   2HD2  ASN  13          HD21      ASN  13  -6.930 -12.915  -6.355
  126    H    GLU  14           HN       GLU  14  -9.504  -9.041  -5.918
  127    HA   GLU  14           HA       GLU  14 -10.491 -11.637  -7.030
  128   1HB   GLU  14           HB2      GLU  14 -11.664  -9.581  -5.165
  129   2HB   GLU  14           HB1      GLU  14 -12.686 -10.805  -5.902
  130   1HG   GLU  14           HG2      GLU  14 -10.146 -11.571  -4.475
  131   2HG   GLU  14           HG1      GLU  14 -11.647 -11.324  -3.581
  132    H    ASN  15           HN       ASN  15 -10.684  -8.258  -7.372
  133    HA   ASN  15           HA       ASN  15 -11.505  -8.318 -10.147
  134   1HB   ASN  15           HB2      ASN  15 -13.756  -8.472  -9.056
  135   2HB   ASN  15           HB1      ASN  15 -13.361  -7.060  -8.074
  136   1HD2  ASN  15          HD22      ASN  15 -15.151  -6.246 -11.418
  137   2HD2  ASN  15          HD21      ASN  15 -15.407  -7.563 -10.377
  138    H    ASN  16           HN       ASN  16 -11.407  -6.639  -7.157
  139    HA   ASN  16           HA       ASN  16  -9.125  -5.011  -7.773
  140   1HB   ASN  16           HB2      ASN  16 -11.403  -3.812  -8.629
  141   2HB   ASN  16           HB1      ASN  16 -11.496  -3.396  -6.915
  142   1HD2  ASN  16          HD22      ASN  16  -8.424  -1.448  -7.033
  143   2HD2  ASN  16          HD21      ASN  16  -9.217  -2.564  -6.029
  144    H    GLU  17           HN       GLU  17  -9.965  -7.189  -5.993
  145    HA   GLU  17           HA       GLU  17 -10.684  -5.811  -3.491
  146   1HB   GLU  17           HB2      GLU  17 -10.234  -8.691  -4.204
  147   2HB   GLU  17           HB1      GLU  17 -10.455  -8.164  -2.533
  148   1HG   GLU  17           HG2      GLU  17 -12.585  -8.866  -3.712
  149   2HG   GLU  17           HG1      GLU  17 -12.621  -7.249  -3.010
  150    H    ILE  18           HN       ILE  18  -9.001  -4.510  -2.963
  151    HA   ILE  18           HA       ILE  18  -6.279  -5.588  -2.772
  152    HB   ILE  18           HB       ILE  18  -5.736  -3.322  -1.921
  153   1HG1  ILE  18          HG12      ILE  18  -8.633  -3.325  -1.535
  154   2HG1  ILE  18          HG11      ILE  18  -7.411  -2.297  -0.806
  155   1HG2  ILE  18          HG21      ILE  18  -5.939  -3.896  -4.393
  156   2HG2  ILE  18          HG23      ILE  18  -7.529  -3.132  -4.348
  157   3HG2  ILE  18          HG22      ILE  18  -6.083  -2.186  -3.993
  158   1HD1  ILE  18          HD11      ILE  18  -8.524  -1.892  -3.595
  159   2HD1  ILE  18          HD13      ILE  18  -9.090  -1.028  -2.166
  160   3HD1  ILE  18          HD12      ILE  18  -7.433  -0.808  -2.730
  161    H    PHE  19           HN       PHE  19  -5.105  -5.603  -0.776
  162    HA   PHE  19           HA       PHE  19  -6.723  -6.480   1.527
  163   1HB   PHE  19           HB2      PHE  19  -4.416  -7.445   0.718
  164   2HB   PHE  19           HB1      PHE  19  -3.735  -6.071   1.587
  165    HD1  PHE  19           HD1      PHE  19  -6.608  -8.397   2.256
  166    HD2  PHE  19           HD2      PHE  19  -2.907  -6.730   3.664
  167    HE1  PHE  19           HE1      PHE  19  -6.864  -9.634   4.390
  168    HE2  PHE  19           HE2      PHE  19  -3.162  -7.969   5.798
  169    HZ   PHE  19           HZ       PHE  19  -5.140  -9.419   6.162
  170    H    ILE  20           HN       ILE  20  -7.218  -3.788   0.864
  171    HA   ILE  20           HA       ILE  20  -5.542  -2.048   2.481
  172    HB   ILE  20           HB       ILE  20  -6.601  -1.193   0.428
  173   1HG1  ILE  20          HG12      ILE  20  -7.546   0.876   1.391
  174   2HG1  ILE  20          HG11      ILE  20  -7.684   0.084   2.958
  175   1HG2  ILE  20          HG22      ILE  20  -8.681  -2.624   0.716
  176   2HG2  ILE  20          HG21      ILE  20  -9.226  -1.445   1.909
  177   3HG2  ILE  20          HG23      ILE  20  -8.981  -0.956   0.232
  178   1HD1  ILE  20          HD13      ILE  20  -5.190  -0.313   2.880
  179   2HD1  ILE  20          HD12      ILE  20  -5.138   0.701   1.439
  180   3HD1  ILE  20          HD11      ILE  20  -5.657   1.380   2.980
  181    H    THR  21           HN       THR  21  -6.314  -0.827   4.255
  182    HA   THR  21           HA       THR  21  -7.901  -2.377   6.141
  183    HB   THR  21           HB       THR  21  -6.069  -0.965   6.911
  184    HG1  THR  21           HG1      THR  21  -8.533  -0.904   7.852
  185   1HG2  THR  21          HG23      THR  21  -7.225   0.879   5.067
  186   2HG2  THR  21          HG22      THR  21  -7.201   1.635   6.661
  187   3HG2  THR  21          HG21      THR  21  -5.705   1.025   5.951
  188    H    ARG  22           HN       ARG  22  -9.940  -2.549   5.082
  189    HA   ARG  22           HA       ARG  22 -11.388  -0.097   4.358
  190   1HB   ARG  22           HB2      ARG  22 -11.544  -2.022   2.870
  191   2HB   ARG  22           HB1      ARG  22 -12.132  -3.030   4.194
  192   1HG   ARG  22           HG2      ARG  22 -14.005  -2.275   2.790
  193   2HG   ARG  22           HG1      ARG  22 -14.128  -1.583   4.407
  194   1HD   ARG  22           HD2      ARG  22 -12.940   0.464   3.510
  195   2HD   ARG  22           HD1      ARG  22 -13.127  -0.220   1.897
  196    HE   ARG  22           HE       ARG  22 -15.695  -0.272   2.975
  197   1HH1  ARG  22          HH11      ARG  22 -13.220   2.093   2.500
  198   2HH1  ARG  22          HH12      ARG  22 -14.336   3.397   2.271
  199   1HH2  ARG  22          HH21      ARG  22 -17.153   1.420   2.657
  200   2HH2  ARG  22          HH22      ARG  22 -16.556   3.018   2.360
  201    H    ARG  23           HN       ARG  23 -11.402   0.643   6.674
  202    HA   ARG  23           HA       ARG  23 -12.341   0.701   8.861
  203   1HB   ARG  23           HB2      ARG  23 -15.052   0.401   8.235
  204   2HB   ARG  23           HB1      ARG  23 -14.149   1.914   8.262
  205   1HG   ARG  23           HG2      ARG  23 -13.581   1.648   5.891
  206   2HG   ARG  23           HG1      ARG  23 -14.411   0.092   5.849
  207   1HD   ARG  23           HD2      ARG  23 -15.968   2.432   6.839
  208   2HD   ARG  23           HD1      ARG  23 -15.627   2.367   5.110
  209    HE   ARG  23           HE       ARG  23 -16.569  -0.168   5.676
  210   1HH1  ARG  23          HH21      ARG  23 -17.691   3.006   5.277
  211   2HH1  ARG  23          HH22      ARG  23 -19.349   2.635   5.617
  212   1HH2  ARG  23          HH11      ARG  23 -18.699  -0.649   6.524
  213   2HH2  ARG  23          HH12      ARG  23 -19.919   0.564   6.324
  214    H    ALA  24           HN       ALA  24 -11.458  -1.472   9.451
  215    HA   ALA  24           HA       ALA  24 -12.667  -3.937   9.113
  216   1HB   ALA  24           HB2      ALA  24 -10.706  -2.915  10.805
  217   2HB   ALA  24           HB1      ALA  24 -11.922  -3.553  11.912
  218   3HB   ALA  24           HB3      ALA  24 -11.199  -4.604  10.693
  219    H    ALA  25           HN       ALA  25 -13.468  -1.628  11.743
  220    HA   ALA  25           HA       ALA  25 -15.801  -3.213  12.517
  221   1HB   ALA  25           HB1      ALA  25 -14.265  -1.563  13.944
  222   2HB   ALA  25           HB3      ALA  25 -15.456  -0.379  13.406
  223   3HB   ALA  25           HB2      ALA  25 -15.970  -1.789  14.332
  224    H    ASP  26           HN       ASP  26 -17.804  -1.408  12.934
  225    HA   ASP  26           HA       ASP  26 -18.750  -0.937  10.209
  226   1HB   ASP  26           HB2      ASP  26 -20.008  -0.271  12.892
  227   2HB   ASP  26           HB1      ASP  26 -20.824  -0.163  11.331
  228    H    ALA  27           HN       ALA  27 -18.578   0.972   9.119
  229    HA   ALA  27           HA       ALA  27 -17.897   3.404  10.725
  230   1HB   ALA  27           HB3      ALA  27 -16.352   2.116   8.717
  231   2HB   ALA  27           HB2      ALA  27 -16.944   3.625   8.024
  232   3HB   ALA  27           HB1      ALA  27 -16.014   3.649   9.521
  233    H    HIS  28           HN       HIS  28 -19.323   2.242   7.656
  234    HA   HIS  28           HA       HIS  28 -20.999   3.207   6.320
  235   1HB   HIS  28           HB2      HIS  28 -22.102   3.061   8.704
  236   2HB   HIS  28           HB1      HIS  28 -21.885   4.812   8.709
  237    HD1  HIS  28           HD1      HIS  28 -23.183   2.204   6.201
  238    HD2  HIS  28           HD2      HIS  28 -24.084   6.054   7.611
  239    HE1  HIS  28           HE1      HIS  28 -25.282   2.977   4.980
  240    H    MET  29           HN       MET  29 -18.363   4.606   7.003
  241    HA   MET  29           HA       MET  29 -19.175   7.374   6.212
  242   1HB   MET  29           HB2      MET  29 -17.168   6.318   8.099
  243   2HB   MET  29           HB1      MET  29 -16.557   7.575   7.023
  244   1HG   MET  29           HG2      MET  29 -18.599   8.950   7.647
  245   2HG   MET  29           HG1      MET  29 -18.932   7.749   8.894
  246   1HE   MET  29           HE2      MET  29 -17.529  10.920   8.050
  247   2HE   MET  29           HE1      MET  29 -15.996  11.152   8.885
  248   3HE   MET  29           HE3      MET  29 -16.080  10.112   7.456
  249    H    ALA  30           HN       ALA  30 -16.821   4.768   5.672
  250    HA   ALA  30           HA       ALA  30 -15.727   4.186   3.665
  251   1HB   ALA  30           HB3      ALA  30 -17.900   5.238   2.651
  252   2HB   ALA  30           HB2      ALA  30 -16.862   6.627   2.326
  253   3HB   ALA  30           HB1      ALA  30 -16.477   5.055   1.624
  254    H    ASN  31           HN       ASN  31 -14.206   5.534   1.973
  255    HA   ASN  31           HA       ASN  31 -12.423   7.065   1.724
  256   1HB   ASN  31           HB2      ASN  31 -14.122   8.618   3.011
  257   2HB   ASN  31           HB1      ASN  31 -13.049   8.318   4.379
  258   1HD2  ASN  31          HD22      ASN  31 -10.300  10.127   2.946
  259   2HD2  ASN  31          HD21      ASN  31 -10.689   8.880   4.030
  260    H    LYS  32           HN       LYS  32 -12.940   4.878   4.191
  261    HA   LYS  32           HA       LYS  32 -10.405   5.251   5.599
  262   1HB   LYS  32           HB2      LYS  32 -12.767   4.115   6.309
  263   2HB   LYS  32           HB1      LYS  32 -11.857   2.681   5.834
  264   1HG   LYS  32           HG2      LYS  32 -10.720   4.769   7.700
  265   2HG   LYS  32           HG1      LYS  32 -11.643   3.386   8.285
  266   1HD   LYS  32           HD2      LYS  32  -9.984   1.990   6.811
  267   2HD   LYS  32           HD1      LYS  32  -8.966   3.428   6.920
  268   1HE   LYS  32           HE2      LYS  32 -10.195   2.286   9.413
  269   2HE   LYS  32           HE1      LYS  32  -8.735   1.556   8.745
  270   1HZ   LYS  32           HZ1      LYS  32  -8.958   4.466   9.230
  271   2HZ   LYS  32           HZ3      LYS  32  -8.427   3.394  10.433
  272   3HZ   LYS  32           HZ2      LYS  32  -7.553   3.542   8.984
  273    H    LEU  33           HN       LEU  33  -9.820   5.008   2.901
  274    HA   LEU  33           HA       LEU  33  -8.773   2.212   2.709
  275   1HB   LEU  33           HB2      LEU  33  -9.632   4.143   0.534
  276   2HB   LEU  33           HB1      LEU  33  -8.721   2.673   0.202
  277    HG   LEU  33           HG       LEU  33 -11.532   2.957   1.243
  278   1HD1  LEU  33          HD12      LEU  33 -10.677   2.593  -1.239
  279   2HD1  LEU  33          HD11      LEU  33 -10.518   0.917  -0.713
  280   3HD1  LEU  33          HD13      LEU  33 -12.089   1.717  -0.647
  281   1HD2  LEU  33          HD21      LEU  33  -9.629   0.629   1.618
  282   2HD2  LEU  33          HD23      LEU  33 -10.626   1.425   2.836
  283   3HD2  LEU  33          HD22      LEU  33 -11.380   0.412   1.603
  284    H    GLU  34           HN       GLU  34  -6.918   3.010   3.976
  285    HA   GLU  34           HA       GLU  34  -5.224   5.060   2.760
  286   1HB   GLU  34           HB2      GLU  34  -5.538   4.285   5.315
  287   2HB   GLU  34           HB1      GLU  34  -4.157   3.275   4.898
  288   1HG   GLU  34           HG2      GLU  34  -2.969   5.302   4.062
  289   2HG   GLU  34           HG1      GLU  34  -4.338   6.287   4.577
  290    H    PHE  35           HN       PHE  35  -2.846   3.119   3.686
  291    HA   PHE  35           HA       PHE  35  -2.917   1.273   1.382
  292   1HB   PHE  35           HB2      PHE  35  -0.348   2.597   1.378
  293   2HB   PHE  35           HB1      PHE  35  -1.495   2.409   0.055
  294    HD1  PHE  35           HD2      PHE  35  -0.868   4.455   3.132
  295    HD2  PHE  35           HD1      PHE  35  -2.644   4.279  -0.774
  296    HE1  PHE  35           HE2      PHE  35  -1.432   6.865   3.278
  297    HE2  PHE  35           HE1      PHE  35  -3.208   6.689  -0.627
  298    HZ   PHE  35           HZ       PHE  35  -2.601   7.983   1.399
  299    HA   PRO  36           HA       PRO  36  -0.975  -1.205   4.518
  300   1HB   PRO  36           HB2      PRO  36  -0.175  -3.111   2.553
  301   2HB   PRO  36           HB1      PRO  36  -1.591  -3.189   3.598
  302   1HG   PRO  36           HG2      PRO  36  -1.466  -2.559   0.742
  303   2HG   PRO  36           HG1      PRO  36  -2.873  -2.978   1.732
  304   1HD   PRO  36           HD2      PRO  36  -2.278  -0.419   0.735
  305   2HD   PRO  36           HD1      PRO  36  -3.441  -0.794   2.033
  306    H    GLY  37           HN       GLY  37   0.848   0.178   4.933
  307   1HA   GLY  37           HA2      GLY  37   2.938   0.807   3.170
  308   2HA   GLY  37           HA1      GLY  37   3.109   0.757   4.921
  309    H    GLY  38           HN       GLY  38   5.166  -0.113   4.866
  310   1HA   GLY  38           HA2      GLY  38   5.690  -2.772   5.172
  311   2HA   GLY  38           HA1      GLY  38   5.795  -2.572   3.417
  312    H    LYS  39           HN       LYS  39   6.682   0.187   3.604
  313    HA   LYS  39           HA       LYS  39   8.626   1.457   3.767
  314   1HB   LYS  39           HB2      LYS  39   8.512   1.012   6.171
  315   2HB   LYS  39           HB1      LYS  39   9.330  -0.534   5.939
  316   1HG   LYS  39           HG2      LYS  39  11.065   0.957   6.577
  317   2HG   LYS  39           HG1      LYS  39  11.212   0.833   4.824
  318   1HD   LYS  39           HD2      LYS  39   9.444   2.893   5.030
  319   2HD   LYS  39           HD1      LYS  39  10.420   3.146   6.480
  320   1HE   LYS  39           HE2      LYS  39  11.795   2.556   3.878
  321   2HE   LYS  39           HE1      LYS  39  11.199   4.185   4.183
  322   1HZ   LYS  39           HZ1      LYS  39  12.487   3.325   6.492
  323   2HZ   LYS  39           HZ3      LYS  39  13.510   2.946   5.194
  324   3HZ   LYS  39           HZ2      LYS  39  12.979   4.544   5.416
  325    H    ILE  40           HN       ILE  40   9.595   1.077   1.805
  326    HA   ILE  40           HA       ILE  40  11.047  -1.426   1.323
  327    HB   ILE  40           HB       ILE  40  10.310  -0.752  -0.722
  328   1HG1  ILE  40          HG12      ILE  40  12.924  -0.596  -0.609
  329   2HG1  ILE  40          HG11      ILE  40  12.096  -0.011  -2.049
  330   1HG2  ILE  40          HG22      ILE  40  10.447   2.021   0.418
  331   2HG2  ILE  40          HG21      ILE  40  10.318   1.803  -1.327
  332   3HG2  ILE  40          HG23      ILE  40   9.064   1.164  -0.263
  333   1HD1  ILE  40          HD13      ILE  40  12.324   2.040   0.029
  334   2HD1  ILE  40          HD12      ILE  40  13.894   1.438  -0.503
  335   3HD1  ILE  40          HD11      ILE  40  12.766   2.118  -1.676
  336    H    GLU  41           HN       GLU  41  13.205  -1.725   1.589
  337    HA   GLU  41           HA       GLU  41  15.116   0.421   1.667
  338   1HB   GLU  41           HB2      GLU  41  15.593   0.558   3.992
  339   2HB   GLU  41           HB1      GLU  41  13.840   0.689   3.862
  340   1HG   GLU  41           HG2      GLU  41  14.039  -1.985   4.073
  341   2HG   GLU  41           HG1      GLU  41  15.495  -1.531   4.960
  342    H    MET  42           HN       MET  42  14.278  -2.912   2.466
  343    HA   MET  42           HA       MET  42  16.850  -3.980   2.908
  344   1HB   MET  42           HB2      MET  42  14.474  -5.210   1.480
  345   2HB   MET  42           HB1      MET  42  15.892  -6.115   2.010
  346   1HG   MET  42           HG2      MET  42  14.662  -4.402   4.083
  347   2HG   MET  42           HG1      MET  42  13.662  -5.750   3.543
  348   1HE   MET  42           HE3      MET  42  14.259  -5.545   6.275
  349   2HE   MET  42           HE2      MET  42  13.758  -7.186   5.874
  350   3HE   MET  42           HE1      MET  42  15.163  -6.929   6.904
  351    H    GLY  43           HN       GLY  43  18.189  -5.255   1.319
  352   1HA   GLY  43           HA2      GLY  43  19.578  -5.098  -0.590
  353   2HA   GLY  43           HA1      GLY  43  18.038  -5.202  -1.456
  354    H    GLU  44           HN       GLU  44  17.917  -3.611  -2.913
  355    HA   GLU  44           HA       GLU  44  18.081  -0.834  -2.099
  356   1HB   GLU  44           HB2      GLU  44  19.882  -0.292  -3.834
  357   2HB   GLU  44           HB1      GLU  44  20.449  -1.081  -2.361
  358   1HG   GLU  44           HG2      GLU  44  19.611  -2.900  -4.546
  359   2HG   GLU  44           HG1      GLU  44  21.071  -1.959  -4.853
  360    H    THR  45           HN       THR  45  16.377  -2.913  -3.517
  361    HA   THR  45           HA       THR  45  15.677  -1.184  -5.842
  362    HB   THR  45           HB       THR  45  15.728  -4.214  -5.910
  363    HG1  THR  45           HG1      THR  45  17.769  -3.980  -6.231
  364   1HG2  THR  45          HG22      THR  45  15.393  -2.096  -8.058
  365   2HG2  THR  45          HG21      THR  45  15.515  -3.829  -8.363
  366   3HG2  THR  45          HG23      THR  45  14.140  -3.185  -7.467
  367    HA   PRO  46           HA       PRO  46  11.673  -1.363  -3.976
  368   1HB   PRO  46           HB2      PRO  46  10.469  -1.511  -6.638
  369   2HB   PRO  46           HB1      PRO  46  10.393  -0.202  -5.449
  370   1HG   PRO  46           HG2      PRO  46  11.911  -0.195  -7.849
  371   2HG   PRO  46           HG1      PRO  46  12.031   0.975  -6.525
  372   1HD   PRO  46           HD2      PRO  46  13.951  -1.069  -7.291
  373   2HD   PRO  46           HD1      PRO  46  14.111   0.177  -6.036
  374    H    GLU  47           HN       GLU  47  12.904  -3.717  -6.209
  375    HA   GLU  47           HA       GLU  47  10.662  -5.565  -5.895
  376   1HB   GLU  47           HB2      GLU  47  13.198  -5.491  -7.370
  377   2HB   GLU  47           HB1      GLU  47  12.866  -7.077  -6.670
  378   1HG   GLU  47           HG2      GLU  47  11.130  -7.462  -8.076
  379   2HG   GLU  47           HG1      GLU  47  10.514  -5.818  -7.905
  380    H    GLN  48           HN       GLN  48  14.032  -6.465  -5.157
  381    HA   GLN  48           HA       GLN  48  13.488  -8.223  -3.083
  382   1HB   GLN  48           HB2      GLN  48  15.806  -6.321  -3.447
  383   2HB   GLN  48           HB1      GLN  48  15.707  -7.402  -2.042
  384   1HG   GLN  48           HG2      GLN  48  15.284  -9.285  -3.753
  385   2HG   GLN  48           HG1      GLN  48  15.884  -8.149  -4.961
  386   1HE2  GLN  48          HE22      GLN  48  18.929  -8.214  -2.441
  387   2HE2  GLN  48          HE21      GLN  48  17.578  -7.196  -2.319
  388    H    ALA  49           HN       ALA  49  13.533  -4.731  -2.933
  389    HA   ALA  49           HA       ALA  49  13.440  -4.484  -0.092
  390   1HB   ALA  49           HB1      ALA  49  12.767  -2.705  -2.399
  391   2HB   ALA  49           HB3      ALA  49  12.191  -2.255  -0.797
  392   3HB   ALA  49           HB2      ALA  49  13.920  -2.451  -1.090
  393    H    VAL  50           HN       VAL  50  10.748  -4.022  -2.413
  394    HA   VAL  50           HA       VAL  50   8.762  -4.173  -0.335
  395    HB   VAL  50           HB       VAL  50   8.617  -3.113  -2.698
  396   1HG1  VAL  50          HG13      VAL  50   9.165  -5.176  -3.952
  397   2HG1  VAL  50          HG12      VAL  50   7.715  -5.944  -3.311
  398   3HG1  VAL  50          HG11      VAL  50   7.574  -4.559  -4.393
  399   1HG2  VAL  50          HG21      VAL  50   6.733  -3.950  -0.836
  400   2HG2  VAL  50          HG23      VAL  50   6.449  -2.835  -2.173
  401   3HG2  VAL  50          HG22      VAL  50   6.109  -4.554  -2.371
  402    H    VAL  51           HN       VAL  51   9.736  -6.500  -2.814
  403    HA   VAL  51           HA       VAL  51   8.028  -8.625  -2.172
  404    HB   VAL  51           HB       VAL  51   9.728  -8.342  -4.109
  405   1HG1  VAL  51          HG11      VAL  51  11.700  -8.103  -2.632
  406   2HG1  VAL  51          HG13      VAL  51  11.458  -9.754  -2.064
  407   3HG1  VAL  51          HG12      VAL  51  11.877  -9.455  -3.751
  408   1HG2  VAL  51          HG23      VAL  51   8.236 -10.347  -3.600
  409   2HG2  VAL  51          HG22      VAL  51   9.692 -10.687  -4.536
  410   3HG2  VAL  51          HG21      VAL  51   9.641 -11.069  -2.815
  411    H    ARG  52           HN       ARG  52  11.262  -7.899  -0.833
  412    HA   ARG  52           HA       ARG  52  11.236 -10.164   0.969
  413   1HB   ARG  52           HB2      ARG  52  12.865  -7.606   0.988
  414   2HB   ARG  52           HB1      ARG  52  13.162  -8.967   2.053
  415   1HG   ARG  52           HG2      ARG  52  12.941  -9.752  -0.758
  416   2HG   ARG  52           HG1      ARG  52  14.283  -8.648  -0.445
  417   1HD   ARG  52           HD2      ARG  52  15.357 -10.126   0.966
  418   2HD   ARG  52           HD1      ARG  52  13.859 -10.913   1.458
  419    HE   ARG  52           HE       ARG  52  14.093 -11.589  -1.212
  420   1HH1  ARG  52          HH21      ARG  52  14.928 -12.888   1.677
  421   2HH1  ARG  52          HH22      ARG  52  16.285 -13.807   1.116
  422   1HH2  ARG  52          HH11      ARG  52  16.367 -12.287  -1.999
  423   2HH2  ARG  52          HH12      ARG  52  17.100 -13.468  -0.965
  424    H    GLU  53           HN       GLU  53  10.327  -6.773   1.144
  425    HA   GLU  53           HA       GLU  53   9.659  -6.734   3.958
  426   1HB   GLU  53           HB2      GLU  53   8.641  -5.024   1.670
  427   2HB   GLU  53           HB1      GLU  53   8.366  -4.695   3.380
  428   1HG   GLU  53           HG2      GLU  53  11.185  -5.142   2.609
  429   2HG   GLU  53           HG1      GLU  53  10.445  -3.672   1.971
  430    H    LEU  54           HN       LEU  54   8.304  -8.109   1.184
  431    HA   LEU  54           HA       LEU  54   5.516  -8.083   2.032
  432   1HB   LEU  54           HB2      LEU  54   7.110  -8.907  -0.283
  433   2HB   LEU  54           HB1      LEU  54   5.884 -10.097   0.117
  434    HG   LEU  54           HG       LEU  54   4.866  -8.580  -1.431
  435   1HD1  LEU  54          HD13      LEU  54   3.903  -8.953   1.128
  436   2HD1  LEU  54          HD12      LEU  54   3.777  -7.206   0.919
  437   3HD1  LEU  54          HD11      LEU  54   2.980  -8.293  -0.221
  438   1HD2  LEU  54          HD21      LEU  54   6.059  -6.426   0.345
  439   2HD2  LEU  54          HD23      LEU  54   6.423  -6.741  -1.352
  440   3HD2  LEU  54          HD22      LEU  54   4.847  -6.093  -0.892
  441    H    GLN  55           HN       GLN  55   7.911 -10.701   1.532
  442    HA   GLN  55           HA       GLN  55   6.428 -12.685   2.952
  443   1HB   GLN  55           HB2      GLN  55   8.813 -13.733   3.218
  444   2HB   GLN  55           HB1      GLN  55   8.126 -13.573   1.605
  445   1HG   GLN  55           HG2      GLN  55   9.848 -12.278   0.976
  446   2HG   GLN  55           HG1      GLN  55   9.492 -11.125   2.263
  447   1HE2  GLN  55          HE22      GLN  55  12.576 -13.728   2.695
  448   2HE2  GLN  55          HE21      GLN  55  11.596 -13.754   1.310
  449    H    GLU  56           HN       GLU  56   9.255 -10.762   4.061
  450    HA   GLU  56           HA       GLU  56   9.422 -11.674   6.682
  451   1HB   GLU  56           HB2      GLU  56  10.244  -9.385   7.270
  452   2HB   GLU  56           HB1      GLU  56  10.993 -10.036   5.813
  453   1HG   GLU  56           HG2      GLU  56  10.427  -7.978   5.007
  454   2HG   GLU  56           HG1      GLU  56   8.905  -8.801   4.673
  455    H    GLU  57           HN       GLU  57   6.843  -9.824   5.265
  456    HA   GLU  57           HA       GLU  57   5.806  -8.884   7.828
  457   1HB   GLU  57           HB2      GLU  57   5.101  -8.609   4.980
  458   2HB   GLU  57           HB1      GLU  57   3.710  -8.683   6.063
  459   1HG   GLU  57           HG2      GLU  57   4.197  -6.685   7.040
  460   2HG   GLU  57           HG1      GLU  57   5.929  -6.998   7.010
  461    H    VAL  58           HN       VAL  58   3.642 -10.486   5.597
  462    HA   VAL  58           HA       VAL  58   2.598 -12.110   7.774
  463    HB   VAL  58           HB       VAL  58   1.876 -12.066   4.840
  464   1HG1  VAL  58          HG13      VAL  58   1.081 -13.809   6.864
  465   2HG1  VAL  58          HG12      VAL  58  -0.218 -12.619   6.772
  466   3HG1  VAL  58          HG11      VAL  58   0.245 -13.531   5.336
  467   1HG2  VAL  58          HG22      VAL  58   1.099 -10.396   7.218
  468   2HG2  VAL  58          HG21      VAL  58   1.572  -9.860   5.607
  469   3HG2  VAL  58          HG23      VAL  58  -0.012 -10.593   5.861
  470    H    GLY  59           HN       GLY  59   3.330 -13.319   4.455
  471   1HA   GLY  59           HA2      GLY  59   5.482 -14.892   4.727
  472   2HA   GLY  59           HA1      GLY  59   4.372 -15.758   5.780
  473    H    ILE  60           HN       ILE  60   2.937 -14.293   2.933
  474    HA   ILE  60           HA       ILE  60   2.370 -17.006   1.937
  475    HB   ILE  60           HB       ILE  60   1.096 -15.864   0.138
  476   1HG1  ILE  60          HG12      ILE  60   1.022 -13.207   1.000
  477   2HG1  ILE  60          HG11      ILE  60   2.727 -13.642   1.026
  478   1HG2  ILE  60          HG23      ILE  60   0.544 -15.825   2.915
  479   2HG2  ILE  60          HG22      ILE  60   0.032 -14.261   2.283
  480   3HG2  ILE  60          HG21      ILE  60  -0.616 -15.747   1.590
  481   1HD1  ILE  60          HD11      ILE  60   1.070 -14.423  -1.343
  482   2HD1  ILE  60          HD13      ILE  60   1.640 -12.759  -1.204
  483   3HD1  ILE  60          HD12      ILE  60   2.800 -14.086  -1.255
  484    H    THR  61           HN       THR  61   2.563 -16.342  -0.945
  485    HA   THR  61           HA       THR  61   5.489 -15.869  -1.170
  486    HB   THR  61           HB       THR  61   4.024 -18.358  -1.973
  487    HG1  THR  61           HG1      THR  61   6.302 -19.020  -1.318
  488   1HG2  THR  61          HG21      THR  61   5.028 -17.431  -4.069
  489   2HG2  THR  61          HG23      THR  61   6.592 -17.377  -3.254
  490   3HG2  THR  61          HG22      THR  61   5.805 -18.927  -3.549
  491    HA   PRO  62           HA       PRO  62   3.888 -15.201  -5.613
  492   1HB   PRO  62           HB2      PRO  62   1.079 -15.601  -5.843
  493   2HB   PRO  62           HB1      PRO  62   2.366 -16.565  -6.588
  494   1HG   PRO  62           HG2      PRO  62   0.650 -17.254  -4.343
  495   2HG   PRO  62           HG1      PRO  62   1.784 -18.289  -5.220
  496   1HD   PRO  62           HD2      PRO  62   2.133 -17.255  -2.586
  497   2HD   PRO  62           HD1      PRO  62   3.338 -18.103  -3.574
  498    H    GLN  63           HN       GLN  63   1.881 -13.749  -6.541
  499    HA   GLN  63           HA       GLN  63   0.197 -12.058  -5.437
  500   1HB   GLN  63           HB2      GLN  63   1.513 -10.157  -4.412
  501   2HB   GLN  63           HB1      GLN  63   1.524 -11.631  -3.440
  502   1HG   GLN  63           HG2      GLN  63   3.754 -11.886  -3.679
  503   2HG   GLN  63           HG1      GLN  63   3.688 -11.562  -5.406
  504   1HE2  GLN  63          HE22      GLN  63   5.469  -8.600  -4.545
  505   2HE2  GLN  63          HE21      GLN  63   5.607 -10.155  -5.210
  506    H    HIS  64           HN       HIS  64   3.162 -12.363  -7.194
  507    HA   HIS  64           HA       HIS  64   4.006 -11.222  -9.076
  508   1HB   HIS  64           HB2      HIS  64   1.510 -12.267  -9.585
  509   2HB   HIS  64           HB1      HIS  64   1.329 -10.591 -10.101
  510    HD1  HIS  64           HD1      HIS  64   3.339  -9.698 -11.759
  511    HD2  HIS  64           HD2      HIS  64   2.812 -13.850 -11.443
  512    HE1  HIS  64           HE1      HIS  64   4.516 -10.759 -13.758
  513    H    PHE  65           HN       PHE  65   4.093  -9.485  -7.037
  514    HA   PHE  65           HA       PHE  65   2.559  -7.180  -7.027
  515   1HB   PHE  65           HB2      PHE  65   4.615  -5.954  -6.311
  516   2HB   PHE  65           HB1      PHE  65   4.342  -7.454  -5.437
  517    HD1  PHE  65           HD1      PHE  65   5.374  -8.557  -8.577
  518    HD2  PHE  65           HD2      PHE  65   6.924  -6.558  -5.103
  519    HE1  PHE  65           HE1      PHE  65   7.651  -9.293  -9.172
  520    HE2  PHE  65           HE2      PHE  65   9.209  -7.299  -5.707
  521    HZ   PHE  65           HZ       PHE  65   9.572  -8.667  -7.741
  522    H    SER  66           HN       SER  66   2.812  -5.108  -8.032
  523    HA   SER  66           HA       SER  66   4.322  -4.985 -10.571
  524   1HB   SER  66           HB2      SER  66   1.467  -4.150 -10.741
  525   2HB   SER  66           HB1      SER  66   2.499  -4.868 -11.971
  526    HG   SER  66           HG       SER  66   1.645  -6.703 -11.459
  527    H    LEU  67           HN       LEU  67   4.907  -2.810 -11.006
  528    HA   LEU  67           HA       LEU  67   4.698  -0.967  -8.837
  529   1HB   LEU  67           HB2      LEU  67   6.280  -1.064 -11.016
  530   2HB   LEU  67           HB1      LEU  67   5.113   0.127 -11.576
  531    HG   LEU  67           HG       LEU  67   7.223   0.383  -9.534
  532   1HD1  LEU  67          HD11      LEU  67   7.010   1.684 -11.659
  533   2HD1  LEU  67          HD13      LEU  67   5.549   2.426 -11.012
  534   3HD1  LEU  67          HD12      LEU  67   7.102   2.704 -10.223
  535   1HD2  LEU  67          HD22      LEU  67   4.390   1.266  -8.955
  536   2HD2  LEU  67          HD21      LEU  67   5.529   0.461  -7.877
  537   3HD2  LEU  67          HD23      LEU  67   5.771   2.152  -8.310
  538    H    PHE  68           HN       PHE  68   3.338  -0.482 -12.083
  539    HA   PHE  68           HA       PHE  68   1.199   0.231 -12.743
  540   1HB   PHE  68           HB2      PHE  68  -0.400  -0.401 -11.294
  541   2HB   PHE  68           HB1      PHE  68   0.755  -0.480  -9.983
  542    HD1  PHE  68           HD1      PHE  68   1.201   1.581  -8.583
  543    HD2  PHE  68           HD2      PHE  68  -1.908   1.446 -11.546
  544    HE1  PHE  68           HE1      PHE  68   0.156   3.584  -7.575
  545    HE2  PHE  68           HE2      PHE  68  -2.954   3.454 -10.532
  546    HZ   PHE  68           HZ       PHE  68  -1.922   4.523  -8.549
  547    H    GLU  69           HN       GLU  69   2.558   1.989  -9.957
  548    HA   GLU  69           HA       GLU  69   3.475   4.249 -11.216
  549   1HB   GLU  69           HB2      GLU  69   0.548   4.159 -11.291
  550   2HB   GLU  69           HB1      GLU  69   1.150   5.608 -10.485
  551   1HG   GLU  69           HG2      GLU  69   2.824   5.599 -12.580
  552   2HG   GLU  69           HG1      GLU  69   1.468   4.750 -13.323
  553    H    LYS  70           HN       LYS  70   3.345   6.241  -9.596
  554    HA   LYS  70           HA       LYS  70   2.700   5.479  -6.850
  555   1HB   LYS  70           HB2      LYS  70   5.223   5.970  -6.243
  556   2HB   LYS  70           HB1      LYS  70   4.725   4.351  -6.728
  557   1HG   LYS  70           HG2      LYS  70   5.968   4.435  -8.607
  558   2HG   LYS  70           HG1      LYS  70   5.352   6.033  -9.027
  559   1HD   LYS  70           HD2      LYS  70   7.631   6.447  -8.664
  560   2HD   LYS  70           HD1      LYS  70   6.908   6.872  -7.111
  561   1HE   LYS  70           HE2      LYS  70   7.353   4.432  -6.429
  562   2HE   LYS  70           HE1      LYS  70   8.400   4.354  -7.847
  563   1HZ   LYS  70           HZ1      LYS  70   9.232   6.621  -6.750
  564   2HZ   LYS  70           HZ3      LYS  70   8.763   5.788  -5.348
  565   3HZ   LYS  70           HZ2      LYS  70   9.918   5.109  -6.392
  566    H    LEU  71           HN       LEU  71   4.066   7.287  -5.413
  567    HA   LEU  71           HA       LEU  71   3.858   9.874  -6.851
  568   1HB   LEU  71           HB2      LEU  71   2.661  10.811  -4.812
  569   2HB   LEU  71           HB1      LEU  71   1.704   9.742  -5.829
  570    HG   LEU  71           HG       LEU  71   2.130   7.868  -4.292
  571   1HD1  LEU  71          HD13      LEU  71   3.828   9.927  -2.879
  572   2HD1  LEU  71          HD12      LEU  71   3.143   8.560  -2.001
  573   3HD1  LEU  71          HD11      LEU  71   4.258   8.279  -3.339
  574   1HD2  LEU  71          HD23      LEU  71   0.707  10.309  -3.643
  575   2HD2  LEU  71          HD22      LEU  71   0.232   8.637  -3.344
  576   3HD2  LEU  71          HD21      LEU  71   1.236   9.492  -2.172
  577    H    GLU  72           HN       GLU  72   4.453  11.632  -5.057
  578    HA   GLU  72           HA       GLU  72   6.454  10.779  -3.128
  579   1HB   GLU  72           HB2      GLU  72   7.448  10.997  -5.651
  580   2HB   GLU  72           HB1      GLU  72   7.611  12.666  -5.108
  581   1HG   GLU  72           HG2      GLU  72   8.920  11.991  -3.190
  582   2HG   GLU  72           HG1      GLU  72   8.611  10.281  -3.513
  583    H    TYR  73           HN       TYR  73   5.031  11.946  -1.760
  584    HA   TYR  73           HA       TYR  73   4.364  14.724  -2.340
  585   1HB   TYR  73           HB2      TYR  73   3.359  12.735  -0.630
  586   2HB   TYR  73           HB1      TYR  73   4.078  13.928   0.455
  587    HD1  TYR  73           HD2      TYR  73   3.692  16.462  -0.893
  588    HD2  TYR  73           HD1      TYR  73   1.053  13.081  -0.664
  589    HE1  TYR  73           HE2      TYR  73   1.746  17.954  -1.261
  590    HE2  TYR  73           HE1      TYR  73  -0.893  14.573  -1.032
  591    HH   TYR  73           HH       TYR  73  -0.454  18.092  -1.450
  592    H    GLU  74           HN       GLU  74   6.092  16.080  -2.362
  593    HA   GLU  74           HA       GLU  74   8.223  15.689  -0.363
  594   1HB   GLU  74           HB2      GLU  74   8.711  16.053  -2.830
  595   2HB   GLU  74           HB1      GLU  74   8.144  17.710  -2.616
  596   1HG   GLU  74           HG2      GLU  74   9.888  17.417  -0.503
  597   2HG   GLU  74           HG1      GLU  74  10.674  16.474  -1.770
  598    H    PHE  75           HN       PHE  75   8.085  16.788   1.487
  599    HA   PHE  75           HA       PHE  75   6.564  19.348   1.527
  600   1HB   PHE  75           HB2      PHE  75   6.898  17.092   3.383
  601   2HB   PHE  75           HB1      PHE  75   7.123  18.653   4.163
  602    HD1  PHE  75           HD1      PHE  75   5.263  20.308   2.425
  603    HD2  PHE  75           HD2      PHE  75   4.777  16.440   4.233
  604    HE1  PHE  75           HE1      PHE  75   2.807  20.627   2.446
  605    HE2  PHE  75           HE2      PHE  75   2.318  16.762   4.252
  606    HZ   PHE  75           HZ       PHE  75   1.333  18.854   3.358
  607    HA   PRO  76           HA       PRO  76  10.021  21.897   2.460
  608   1HB   PRO  76           HB2      PRO  76   9.587  22.213   5.319
  609   2HB   PRO  76           HB1      PRO  76   9.368  23.406   4.031
  610   1HG   PRO  76           HG2      PRO  76   7.320  21.959   5.464
  611   2HG   PRO  76           HG1      PRO  76   7.103  23.157   4.179
  612   1HD   PRO  76           HD2      PRO  76   6.616  20.365   3.996
  613   2HD   PRO  76           HD1      PRO  76   6.617  21.530   2.660
  614    H    ASP  77           HN       ASP  77   9.533  19.957   5.430
  615    HA   ASP  77           HA       ASP  77  12.289  18.864   5.033
  616   1HB   ASP  77           HB2      ASP  77  11.013  20.107   7.416
  617   2HB   ASP  77           HB1      ASP  77  11.971  18.656   7.713
  618    H    ARG  78           HN       ARG  78  10.198  17.535   3.914
  619    HA   ARG  78           HA       ARG  78  10.053  15.100   5.586
  620   1HB   ARG  78           HB2      ARG  78   7.880  16.951   5.357
  621   2HB   ARG  78           HB1      ARG  78   7.448  15.482   4.475
  622   1HG   ARG  78           HG2      ARG  78   8.711  15.191   7.172
  623   2HG   ARG  78           HG1      ARG  78   7.018  15.674   7.089
  624   1HD   ARG  78           HD2      ARG  78   7.317  13.572   5.229
  625   2HD   ARG  78           HD1      ARG  78   8.171  13.060   6.684
  626    HE   ARG  78           HE       ARG  78   5.450  12.859   6.506
  627   1HH1  ARG  78          HH11      ARG  78   7.511  13.265   8.977
  628   2HH1  ARG  78          HH12      ARG  78   6.459  14.174  10.010
  629   1HH2  ARG  78          HH21      ARG  78   4.101  14.756   7.537
  630   2HH2  ARG  78          HH22      ARG  78   4.528  15.018   9.195
  631    H    HIS  79           HN       HIS  79  11.396  14.209   3.900
  632    HA   HIS  79           HA       HIS  79  10.296  14.127   1.157
  633   1HB   HIS  79           HB2      HIS  79  12.900  13.687   2.423
  634   2HB   HIS  79           HB1      HIS  79  12.507  12.449   1.232
  635    HD1  HIS  79           HD1      HIS  79  14.418  15.289   1.235
  636    HD2  HIS  79           HD2      HIS  79  11.089  14.224  -1.090
  637    HE1  HIS  79           HE1      HIS  79  14.500  16.703  -0.886
  638    H    ILE  80           HN       ILE  80   8.501  12.736   1.210
  639    HA   ILE  80           HA       ILE  80   9.019   9.989   2.275
  640    HB   ILE  80           HB       ILE  80   6.457  11.591   2.021
  641   1HG1  ILE  80          HG12      ILE  80   6.367  11.499   4.331
  642   2HG1  ILE  80          HG11      ILE  80   7.203   9.949   4.407
  643   1HG2  ILE  80          HG21      ILE  80   6.758   8.617   2.529
  644   2HG2  ILE  80          HG23      ILE  80   5.265   9.536   2.660
  645   3HG2  ILE  80          HG22      ILE  80   6.040   9.359   1.097
  646   1HD1  ILE  80          HD11      ILE  80   8.545  12.571   3.685
  647   2HD1  ILE  80          HD13      ILE  80   8.550  11.870   5.303
  648   3HD1  ILE  80          HD12      ILE  80   9.337  11.023   3.972
  649    H    THR  81           HN       THR  81   7.911   8.244   1.083
  650    HA   THR  81           HA       THR  81   7.176   8.763  -1.723
  651    HB   THR  81           HB       THR  81   9.210   6.618  -1.302
  652    HG1  THR  81           HG1      THR  81   9.691   9.401  -1.340
  653   1HG2  THR  81          HG22      THR  81   8.226   8.392  -3.509
  654   2HG2  THR  81          HG21      THR  81   9.842   7.696  -3.630
  655   3HG2  THR  81          HG23      THR  81   8.434   6.641  -3.492
  656    H    LEU  82           HN       LEU  82   5.861   7.027  -2.526
  657    HA   LEU  82           HA       LEU  82   5.427   4.797  -0.589
  658   1HB   LEU  82           HB2      LEU  82   3.694   6.854  -0.716
  659   2HB   LEU  82           HB1      LEU  82   3.040   5.850  -2.012
  660    HG   LEU  82           HG       LEU  82   3.631   4.073   0.092
  661   1HD1  LEU  82          HD12      LEU  82   3.768   6.050   1.582
  662   2HD1  LEU  82          HD11      LEU  82   2.149   6.530   1.077
  663   3HD1  LEU  82          HD13      LEU  82   2.383   5.033   1.979
  664   1HD2  LEU  82          HD23      LEU  82   1.739   4.066  -1.589
  665   2HD2  LEU  82          HD22      LEU  82   1.243   3.691   0.061
  666   3HD2  LEU  82          HD21      LEU  82   0.944   5.296  -0.606
  667    H    TRP  83           HN       TRP  83   6.834   3.739  -2.326
  668    HA   TRP  83           HA       TRP  83   6.106   3.329  -5.002
  669   1HB   TRP  83           HB2      TRP  83   7.057   1.206  -3.044
  670   2HB   TRP  83           HB1      TRP  83   7.115   1.076  -4.800
  671    HD1  TRP  83           HD1      TRP  83   8.658   3.051  -1.895
  672    HE1  TRP  83           HE1      TRP  83  10.924   4.048  -2.672
  673    HE3  TRP  83           HE3      TRP  83   8.477   1.799  -6.840
  674    HZ2  TRP  83           HZ2      TRP  83  12.423   4.270  -5.097
  675    HZ3  TRP  83           HZ3      TRP  83  10.335   2.417  -8.360
  676    HH2  TRP  83           HH2      TRP  83  12.305   3.648  -7.498
  677    H    PHE  84           HN       PHE  84   4.104   2.781  -5.807
  678    HA   PHE  84           HA       PHE  84   2.248   1.226  -4.084
  679   1HB   PHE  84           HB2      PHE  84   1.922   2.813  -6.627
  680   2HB   PHE  84           HB1      PHE  84   0.689   1.664  -6.120
  681    HD1  PHE  84           HD2      PHE  84   2.597   4.667  -5.000
  682    HD2  PHE  84           HD1      PHE  84  -0.842   2.169  -4.393
  683    HE1  PHE  84           HE2      PHE  84   1.685   6.313  -3.385
  684    HE2  PHE  84           HE1      PHE  84  -1.755   3.816  -2.781
  685    HZ   PHE  84           HZ       PHE  84  -0.492   5.889  -2.278
  686    H    TRP  85           HN       TRP  85   3.634  -0.772  -4.390
  687    HA   TRP  85           HA       TRP  85   3.743  -1.920  -7.075
  688   1HB   TRP  85           HB2      TRP  85   4.535  -2.779  -4.327
  689   2HB   TRP  85           HB1      TRP  85   4.276  -4.035  -5.537
  690    HD1  TRP  85           HD1      TRP  85   6.517  -1.064  -4.720
  691    HE1  TRP  85           HE1      TRP  85   8.629  -1.132  -6.226
  692    HE3  TRP  85           HE3      TRP  85   5.194  -4.887  -7.839
  693    HZ2  TRP  85           HZ2      TRP  85   9.584  -2.643  -8.465
  694    HZ3  TRP  85           HZ3      TRP  85   6.721  -5.620  -9.647
  695    HH2  TRP  85           HH2      TRP  85   8.913  -4.503  -9.963
  696    H    LEU  86           HN       LEU  86   1.415  -1.851  -7.627
  697    HA   LEU  86           HA       LEU  86  -0.509  -3.256  -5.992
  698   1HB   LEU  86           HB2      LEU  86  -0.480  -2.164  -8.781
  699   2HB   LEU  86           HB1      LEU  86  -1.734  -3.327  -8.353
  700    HG   LEU  86           HG       LEU  86  -2.641  -1.168  -7.898
  701   1HD1  LEU  86          HD13      LEU  86  -2.788  -3.009  -6.082
  702   2HD1  LEU  86          HD12      LEU  86  -1.645  -2.012  -5.184
  703   3HD1  LEU  86          HD11      LEU  86  -3.222  -1.361  -5.626
  704   1HD2  LEU  86          HD21      LEU  86  -0.049  -0.639  -6.416
  705   2HD2  LEU  86          HD23      LEU  86  -0.571   0.118  -7.920
  706   3HD2  LEU  86          HD22      LEU  86  -1.436   0.450  -6.420
  707    H    VAL  87           HN       VAL  87  -0.843  -5.395  -5.840
  708    HA   VAL  87           HA       VAL  87   0.480  -7.149  -7.877
  709    HB   VAL  87           HB       VAL  87   1.199  -8.528  -6.202
  710   1HG1  VAL  87          HG12      VAL  87   0.473  -6.020  -4.685
  711   2HG1  VAL  87          HG11      VAL  87   1.352  -7.351  -3.935
  712   3HG1  VAL  87          HG13      VAL  87   2.050  -6.498  -5.311
  713   1HG2  VAL  87          HG21      VAL  87  -1.103  -9.327  -5.719
  714   2HG2  VAL  87          HG23      VAL  87  -0.144  -9.179  -4.247
  715   3HG2  VAL  87          HG22      VAL  87  -1.344  -7.949  -4.645
  716    H    GLU  88           HN       GLU  88  -0.830  -9.440  -7.914
  717    HA   GLU  88           HA       GLU  88  -3.705  -9.029  -7.510
  718   1HB   GLU  88           HB2      GLU  88  -2.518  -9.193 -10.281
  719   2HB   GLU  88           HB1      GLU  88  -4.231  -9.436  -9.938
  720   1HG   GLU  88           HG2      GLU  88  -4.216  -7.165  -8.798
  721   2HG   GLU  88           HG1      GLU  88  -2.596  -6.931  -9.456
  722    H    ARG  89           HN       ARG  89  -1.433 -11.156  -6.975
  723    HA   ARG  89           HA       ARG  89  -3.282 -13.388  -7.265
  724   1HB   ARG  89           HB2      ARG  89  -2.126 -14.750  -8.799
  725   2HB   ARG  89           HB1      ARG  89  -2.137 -13.157  -9.547
  726   1HG   ARG  89           HG2      ARG  89   0.093 -13.339  -9.722
  727   2HG   ARG  89           HG1      ARG  89   0.175 -13.173  -7.966
  728   1HD   ARG  89           HD2      ARG  89   1.270 -15.207  -8.257
  729   2HD   ARG  89           HD1      ARG  89  -0.387 -15.762  -8.021
  730    HE   ARG  89           HE       ARG  89  -0.183 -15.389 -10.770
  731   1HH1  ARG  89          HH11      ARG  89   0.846 -17.509  -8.308
  732   2HH1  ARG  89          HH12      ARG  89   1.652 -18.605  -9.379
  733   1HH2  ARG  89          HH21      ARG  89   1.164 -16.640 -12.192
  734   2HH2  ARG  89          HH22      ARG  89   1.831 -18.115 -11.576
  735    H    TRP  90           HN       TRP  90  -2.627 -12.774  -4.897
  736    HA   TRP  90           HA       TRP  90  -0.071 -13.914  -4.020
  737   1HB   TRP  90           HB2      TRP  90  -0.775 -13.301  -1.793
  738   2HB   TRP  90           HB1      TRP  90  -1.215 -11.981  -2.871
  739    HD1  TRP  90           HD1      TRP  90  -3.002 -15.266  -1.765
  740    HE1  TRP  90           HE1      TRP  90  -5.456 -14.726  -1.182
  741    HE3  TRP  90           HE3      TRP  90  -2.985 -10.223  -2.606
  742    HZ2  TRP  90           HZ2      TRP  90  -7.151 -12.450  -1.066
  743    HZ3  TRP  90           HZ3      TRP  90  -5.054  -8.905  -2.223
  744    HH2  TRP  90           HH2      TRP  90  -7.124 -10.005  -1.465
  745    H    GLU  91           HN       GLU  91  -0.085 -15.722  -2.350
  746    HA   GLU  91           HA       GLU  91  -1.943 -17.838  -3.282
  747   1HB   GLU  91           HB2      GLU  91  -0.526 -19.412  -2.265
  748   2HB   GLU  91           HB1      GLU  91   0.598 -18.178  -2.805
  749   1HG   GLU  91           HG2      GLU  91   1.346 -18.119  -0.671
  750   2HG   GLU  91           HG1      GLU  91  -0.159 -17.299  -0.275
  751    H    GLY  92           HN       GLY  92  -3.498 -18.806  -1.974
  752   1HA   GLY  92           HA2      GLY  92  -5.243 -18.664  -0.387
  753   2HA   GLY  92           HA1      GLY  92  -3.891 -18.878   0.717
  754    H    GLU  93           HN       GLU  93  -2.919 -16.924   1.644
  755    HA   GLU  93           HA       GLU  93  -4.928 -14.731   1.871
  756   1HB   GLU  93           HB2      GLU  93  -4.150 -14.398   4.067
  757   2HB   GLU  93           HB1      GLU  93  -4.092 -16.148   3.868
  758   1HG   GLU  93           HG2      GLU  93  -1.673 -15.925   3.213
  759   2HG   GLU  93           HG1      GLU  93  -1.769 -14.217   3.640
  760    HA   PRO  94           HA       PRO  94  -2.172 -11.699   0.252
  761   1HB   PRO  94           HB2      PRO  94  -2.738  -9.596   2.003
  762   2HB   PRO  94           HB1      PRO  94  -3.700 -10.023   0.579
  763   1HG   PRO  94           HG2      PRO  94  -4.342 -10.409   3.421
  764   2HG   PRO  94           HG1      PRO  94  -5.416 -10.485   2.022
  765   1HD   PRO  94           HD2      PRO  94  -4.379 -12.681   3.526
  766   2HD   PRO  94           HD1      PRO  94  -5.337 -12.771   2.036
  767    H    TRP  95           HN       TRP  95  -0.851  -9.607   1.634
  768    HA   TRP  95           HA       TRP  95   0.408 -10.286   4.046
  769   1HB   TRP  95           HB2      TRP  95   2.545 -11.204   3.376
  770   2HB   TRP  95           HB1      TRP  95   1.274 -12.232   2.722
  771    HD1  TRP  95           HD1      TRP  95   0.701  -9.828   0.399
  772    HE1  TRP  95           HE1      TRP  95   2.230  -9.903  -1.699
  773    HE3  TRP  95           HE3      TRP  95   4.536 -12.650   2.253
  774    HZ2  TRP  95           HZ2      TRP  95   4.762 -11.041  -2.435
  775    HZ3  TRP  95           HZ3      TRP  95   6.483 -13.218   0.832
  776    HH2  TRP  95           HH2      TRP  95   6.600 -12.418  -1.510
  777    H    GLY  96           HN       GLY  96  -0.362  -7.810   3.186
  778   1HA   GLY  96           HA2      GLY  96   2.288  -6.508   2.796
  779   2HA   GLY  96           HA1      GLY  96   0.964  -6.060   1.730
  780    H    LYS  97           HN       LYS  97  -0.438  -6.655   4.696
  781    HA   LYS  97           HA       LYS  97  -0.749  -3.790   5.122
  782   1HB   LYS  97           HB2      LYS  97  -2.440  -4.303   6.653
  783   2HB   LYS  97           HB1      LYS  97  -2.522  -5.639   5.511
  784   1HG   LYS  97           HG2      LYS  97  -1.176  -5.668   8.228
  785   2HG   LYS  97           HG1      LYS  97  -2.644  -6.521   7.767
  786   1HD   LYS  97           HD2      LYS  97  -1.269  -7.694   5.980
  787   2HD   LYS  97           HD1      LYS  97   0.163  -7.034   6.763
  788   1HE   LYS  97           HE2      LYS  97  -1.931  -8.777   8.097
  789   2HE   LYS  97           HE1      LYS  97  -0.327  -9.304   7.592
  790   1HZ   LYS  97           HZ2      LYS  97   0.131  -7.067   9.086
  791   2HZ   LYS  97           HZ1      LYS  97  -1.105  -7.869   9.931
  792   3HZ   LYS  97           HZ3      LYS  97   0.350  -8.672   9.595
  793    H    GLU  98           HN       GLU  98   0.930  -2.691   5.970
  794    HA   GLU  98           HA       GLU  98   2.936  -3.771   7.691
  795   1HB   GLU  98           HB2      GLU  98   2.105  -1.120   6.741
  796   2HB   GLU  98           HB1      GLU  98   2.827  -1.098   8.351
  797   1HG   GLU  98           HG2      GLU  98   4.046  -2.357   5.884
  798   2HG   GLU  98           HG1      GLU  98   4.564  -0.843   6.627
  799    H    GLY  99           HN       GLY  99   1.096  -1.078   8.952
  800   1HA   GLY  99           HA2      GLY  99   0.412  -2.692  11.342
  801   2HA   GLY  99           HA1      GLY  99   0.583  -0.934  11.341
  802    H    GLN 100           HN       GLN 100  -0.883  -2.438   8.638
  803    HA   GLN 100           HA       GLN 100  -3.497  -1.195   9.291
  804   1HB   GLN 100           HB2      GLN 100  -1.887  -1.401   6.964
  805   2HB   GLN 100           HB1      GLN 100  -3.309  -2.396   6.667
  806   1HG   GLN 100           HG2      GLN 100  -4.179  -0.388   5.998
  807   2HG   GLN 100           HG1      GLN 100  -4.511  -0.233   7.723
  808   1HE2  GLN 100          HE22      GLN 100  -2.723   2.865   6.732
  809   2HE2  GLN 100          HE21      GLN 100  -4.227   2.155   6.398
  810    HA   PRO 101           HA       PRO 101  -5.311  -5.127  10.179
  811   1HB   PRO 101           HB2      PRO 101  -7.768  -4.360   8.842
  812   2HB   PRO 101           HB1      PRO 101  -7.469  -4.495  10.578
  813   1HG   PRO 101           HG2      PRO 101  -7.778  -2.085   9.060
  814   2HG   PRO 101           HG1      PRO 101  -7.376  -2.224  10.777
  815   1HD   PRO 101           HD2      PRO 101  -5.642  -1.407   8.620
  816   2HD   PRO 101           HD1      PRO 101  -5.249  -1.541  10.340
  817    H    GLY 102           HN       GLY 102  -5.476  -3.574   7.047
  818   1HA   GLY 102           HA2      GLY 102  -5.453  -4.413   4.873
  819   2HA   GLY 102           HA1      GLY 102  -4.503  -5.738   5.547
  820    H    GLU 103           HN       GLU 103  -7.434  -4.953   4.057
  821    HA   GLU 103           HA       GLU 103  -8.377  -7.727   4.587
  822   1HB   GLU 103           HB2      GLU 103 -10.738  -6.799   4.978
  823   2HB   GLU 103           HB1      GLU 103  -9.592  -6.632   6.306
  824   1HG   GLU 103           HG2      GLU 103  -9.051  -4.324   5.222
  825   2HG   GLU 103           HG1      GLU 103 -10.608  -4.521   4.417
  826    H    TRP 104           HN       TRP 104  -9.272  -8.637   2.774
  827    HA   TRP 104           HA       TRP 104  -9.069  -7.521   0.231
  828   1HB   TRP 104           HB2      TRP 104 -11.345  -9.354   1.052
  829   2HB   TRP 104           HB1      TRP 104 -10.626  -9.198  -0.550
  830    HD1  TRP 104           HD1      TRP 104  -7.585  -9.301   0.193
  831    HE1  TRP 104           HE1      TRP 104  -6.501 -11.511   1.029
  832    HE3  TRP 104           HE3      TRP 104 -11.774 -11.707   1.846
  833    HZ2  TRP 104           HZ2      TRP 104  -7.360 -13.953   2.248
  834    HZ3  TRP 104           HZ3      TRP 104 -11.613 -13.971   2.842
  835    HH2  TRP 104           HH2      TRP 104  -9.413 -15.096   3.044
  836    H    MET 105           HN       MET 105 -10.062  -5.776  -0.690
  837    HA   MET 105           HA       MET 105 -12.685  -4.928   0.483
  838   1HB   MET 105           HB2      MET 105 -10.508  -3.435   0.609
  839   2HB   MET 105           HB1      MET 105 -10.946  -3.036  -1.054
  840   1HG   MET 105           HG2      MET 105 -12.849  -2.828   1.295
  841   2HG   MET 105           HG1      MET 105 -11.928  -1.469   0.650
  842   1HE   MET 105           HE1      MET 105 -14.963  -2.239   1.128
  843   2HE   MET 105           HE3      MET 105 -14.836  -0.596   0.484
  844   3HE   MET 105           HE2      MET 105 -15.925  -1.760  -0.267
  845    H    SER 106           HN       SER 106 -14.295  -5.542  -0.907
  846    HA   SER 106           HA       SER 106 -13.779  -5.861  -3.761
  847   1HB   SER 106           HB2      SER 106 -15.326  -7.401  -2.776
  848   2HB   SER 106           HB1      SER 106 -16.279  -6.094  -2.078
  849    HG   SER 106           HG       SER 106 -17.376  -6.343  -3.869
  850    H    LEU 107           HN       LEU 107 -13.120  -3.381  -3.655
  851    HA   LEU 107           HA       LEU 107 -15.375  -1.518  -3.833
  852   1HB   LEU 107           HB2      LEU 107 -13.625   0.149  -4.367
  853   2HB   LEU 107           HB1      LEU 107 -13.223  -0.767  -2.917
  854    HG   LEU 107           HG       LEU 107 -12.016  -2.354  -4.680
  855   1HD1  LEU 107          HD11      LEU 107 -12.893  -0.322  -6.346
  856   2HD1  LEU 107          HD13      LEU 107 -11.213   0.113  -6.034
  857   3HD1  LEU 107          HD12      LEU 107 -11.603  -1.466  -6.716
  858   1HD2  LEU 107          HD21      LEU 107 -10.991   0.272  -3.577
  859   2HD2  LEU 107          HD23      LEU 107 -10.841  -1.327  -2.848
  860   3HD2  LEU 107          HD22      LEU 107  -9.948  -0.941  -4.319
  861    H    VAL 108           HN       VAL 108 -13.078  -3.047  -6.049
  862    HA   VAL 108           HA       VAL 108 -13.213  -3.438  -8.353
  863    HB   VAL 108           HB       VAL 108 -16.036  -2.756  -7.663
  864   1HG1  VAL 108          HG11      VAL 108 -14.854  -2.475 -10.420
  865   2HG1  VAL 108          HG13      VAL 108 -16.524  -3.000 -10.207
  866   3HG1  VAL 108          HG12      VAL 108 -16.011  -1.423  -9.606
  867   1HG2  VAL 108          HG21      VAL 108 -14.415  -5.012  -8.566
  868   2HG2  VAL 108          HG23      VAL 108 -15.955  -5.011  -7.707
  869   3HG2  VAL 108          HG22      VAL 108 -15.925  -4.859  -9.464
  870    H    GLY 109           HN       GLY 109 -11.982  -2.136  -9.595
  871   1HA   GLY 109           HA2      GLY 109 -11.022  -0.123 -10.377
  872   2HA   GLY 109           HA1      GLY 109 -12.686   0.230 -10.843
  873    H    LEU 110           HN       LEU 110 -10.315   0.590  -8.264
  874    HA   LEU 110           HA       LEU 110 -11.739   1.889  -6.288
  875   1HB   LEU 110           HB2      LEU 110  -9.008   1.660  -7.026
  876   2HB   LEU 110           HB1      LEU 110  -9.322   3.377  -6.730
  877    HG   LEU 110           HG       LEU 110 -10.602   1.638  -4.762
  878   1HD1  LEU 110          HD13      LEU 110  -8.093   0.760  -5.544
  879   2HD1  LEU 110          HD12      LEU 110  -7.732   1.820  -4.180
  880   3HD1  LEU 110          HD11      LEU 110  -8.833   0.461  -3.972
  881   1HD2  LEU 110          HD22      LEU 110  -9.892   4.245  -4.962
  882   2HD2  LEU 110          HD21      LEU 110 -10.164   3.435  -3.420
  883   3HD2  LEU 110          HD23      LEU 110  -8.525   3.622  -4.045
  884    H    ASN 111           HN       ASN 111 -11.558   4.411  -5.838
  885    HA   ASN 111           HA       ASN 111 -11.916   6.030  -8.294
  886   1HB   ASN 111           HB2      ASN 111 -14.114   4.816  -7.316
  887   2HB   ASN 111           HB1      ASN 111 -14.137   6.288  -6.341
  888   1HD2  ASN 111          HD22      ASN 111 -15.737   6.701  -9.846
  889   2HD2  ASN 111          HD21      ASN 111 -15.832   5.382  -8.783
  890    H    ALA 112           HN       ALA 112 -10.756   5.856  -5.179
  891    HA   ALA 112           HA       ALA 112  -9.717   7.534  -3.889
  892   1HB   ALA 112           HB2      ALA 112  -9.522   8.838  -6.063
  893   2HB   ALA 112           HB1      ALA 112 -11.064   9.590  -5.655
  894   3HB   ALA 112           HB3      ALA 112  -9.667   9.815  -4.605
  895    H    ASP 113           HN       ASP 113 -13.096   7.779  -4.835
  896    HA   ASP 113           HA       ASP 113 -14.175   9.421  -2.863
  897   1HB   ASP 113           HB2      ASP 113 -15.154   7.732  -4.790
  898   2HB   ASP 113           HB1      ASP 113 -15.608   6.874  -3.325
  899    H    ASP 114           HN       ASP 114 -12.768   6.257  -2.652
  900    HA   ASP 114           HA       ASP 114 -13.570   6.046   0.215
  901   1HB   ASP 114           HB2      ASP 114 -13.016   4.113  -1.975
  902   2HB   ASP 114           HB1      ASP 114 -12.496   3.635  -0.351
  903    H    PHE 115           HN       PHE 115 -10.893   6.625  -1.883
  904    HA   PHE 115           HA       PHE 115  -8.897   5.856   0.160
  905   1HB   PHE 115           HB2      PHE 115  -8.889   6.373  -2.713
  906   2HB   PHE 115           HB1      PHE 115  -7.573   7.207  -1.890
  907    HD1  PHE 115           HD2      PHE 115  -9.270   3.858  -1.889
  908    HD2  PHE 115           HD1      PHE 115  -5.591   6.034  -1.530
  909    HE1  PHE 115           HE2      PHE 115  -8.021   1.721  -1.768
  910    HE2  PHE 115           HE1      PHE 115  -4.340   3.898  -1.411
  911    HZ   PHE 115           HZ       PHE 115  -5.553   1.739  -1.526
  912    HA   PRO 116           HA       PRO 116  -8.661   9.871   1.945
  913   1HB   PRO 116           HB2      PRO 116  -5.871   9.603   2.543
  914   2HB   PRO 116           HB1      PRO 116  -7.234   9.348   3.635
  915   1HG   PRO 116           HG2      PRO 116  -5.495   7.354   2.490
  916   2HG   PRO 116           HG1      PRO 116  -6.861   7.101   3.585
  917   1HD   PRO 116           HD2      PRO 116  -6.719   6.519   0.759
  918   2HD   PRO 116           HD1      PRO 116  -8.074   6.232   1.869
  919    HA   PRO 117           HA       PRO 117  -7.111  12.231  -1.496
  920   1HB   PRO 117           HB2      PRO 117  -7.079  14.616   0.133
  921   2HB   PRO 117           HB1      PRO 117  -8.238  14.161  -1.124
  922   1HG   PRO 117           HG2      PRO 117  -8.681  14.193   1.712
  923   2HG   PRO 117           HG1      PRO 117  -9.803  13.651   0.457
  924   1HD   PRO 117           HD2      PRO 117  -8.330  12.034   2.356
  925   2HD   PRO 117           HD1      PRO 117  -9.515  11.501   1.146
  926    H    ALA 118           HN       ALA 118  -5.647  12.224   1.699
  927    HA   ALA 118           HA       ALA 118  -3.371  13.774   1.444
  928   1HB   ALA 118           HB3      ALA 118  -4.128  11.917   3.241
  929   2HB   ALA 118           HB2      ALA 118  -2.890  10.992   2.394
  930   3HB   ALA 118           HB1      ALA 118  -2.476  12.527   3.159
  931    H    ASN 119           HN       ASN 119  -3.808  10.489   0.134
  932    HA   ASN 119           HA       ASN 119  -1.279  10.780  -1.409
  933   1HB   ASN 119           HB2      ASN 119  -2.909   8.535  -0.423
  934   2HB   ASN 119           HB1      ASN 119  -2.403   8.337  -2.102
  935   1HD2  ASN 119          HD22      ASN 119   0.525   8.640   0.783
  936   2HD2  ASN 119          HD21      ASN 119  -0.970   9.402   1.041
  937    H    GLU 120           HN       GLU 120  -3.071  12.579  -2.249
  938    HA   GLU 120           HA       GLU 120  -5.015  11.821  -4.156
  939   1HB   GLU 120           HB2      GLU 120  -3.682  14.218  -3.275
  940   2HB   GLU 120           HB1      GLU 120  -3.905  14.247  -5.025
  941   1HG   GLU 120           HG2      GLU 120  -6.332  13.324  -4.298
  942   2HG   GLU 120           HG1      GLU 120  -5.940  14.259  -2.855
  943    HA   PRO 121           HA       PRO 121  -1.445  12.597  -7.426
  944   1HB   PRO 121           HB2      PRO 121   0.853  11.358  -6.148
  945   2HB   PRO 121           HB1      PRO 121   0.719  12.963  -6.875
  946   1HG   PRO 121           HG2      PRO 121   0.853  12.378  -4.103
  947   2HG   PRO 121           HG1      PRO 121   0.453  13.942  -4.827
  948   1HD   PRO 121           HD2      PRO 121  -1.300  12.081  -3.451
  949   2HD   PRO 121           HD1      PRO 121  -1.668  13.721  -4.026
  950    H    VAL 122           HN       VAL 122  -1.530   9.736  -5.317
  951    HA   VAL 122           HA       VAL 122  -1.138   8.066  -7.752
  952    HB   VAL 122           HB       VAL 122  -0.779   7.635  -4.833
  953   1HG1  VAL 122          HG11      VAL 122  -1.520   5.490  -6.831
  954   2HG1  VAL 122          HG13      VAL 122  -0.643   5.132  -5.345
  955   3HG1  VAL 122          HG12      VAL 122  -2.269   5.811  -5.267
  956   1HG2  VAL 122          HG22      VAL 122   1.047   8.155  -6.544
  957   2HG2  VAL 122          HG21      VAL 122   1.323   6.736  -5.533
  958   3HG2  VAL 122          HG23      VAL 122   0.760   6.541  -7.192
  959    H    ILE 123           HN       ILE 123  -3.482   8.688  -5.163
  960    HA   ILE 123           HA       ILE 123  -5.319   6.621  -5.875
  961    HB   ILE 123           HB       ILE 123  -5.565   9.241  -4.418
  962   1HG1  ILE 123          HG12      ILE 123  -5.951   7.847  -2.531
  963   2HG1  ILE 123          HG11      ILE 123  -6.370   6.460  -3.538
  964   1HG2  ILE 123          HG21      ILE 123  -7.769   7.604  -5.603
  965   2HG2  ILE 123          HG23      ILE 123  -8.006   8.252  -3.980
  966   3HG2  ILE 123          HG22      ILE 123  -7.689   9.344  -5.327
  967   1HD1  ILE 123          HD11      ILE 123  -3.616   7.717  -3.577
  968   2HD1  ILE 123          HD13      ILE 123  -4.041   6.405  -2.479
  969   3HD1  ILE 123          HD12      ILE 123  -4.100   6.150  -4.223
  970    H    ALA 124           HN       ALA 124  -4.592   9.733  -7.218
  971    HA   ALA 124           HA       ALA 124  -6.895  10.231  -8.778
  972   1HB   ALA 124           HB2      ALA 124  -4.179  11.146  -8.648
  973   2HB   ALA 124           HB1      ALA 124  -4.582  10.831 -10.336
  974   3HB   ALA 124           HB3      ALA 124  -5.563  11.951  -9.388
  975    H    LYS 125           HN       LYS 125  -4.184   8.081  -9.207
  976    HA   LYS 125           HA       LYS 125  -4.956   7.212 -11.875
  977   1HB   LYS 125           HB2      LYS 125  -2.992   5.998  -9.919
  978   2HB   LYS 125           HB1      LYS 125  -3.079   5.671 -11.651
  979   1HG   LYS 125           HG2      LYS 125  -2.505   8.369 -10.394
  980   2HG   LYS 125           HG1      LYS 125  -1.315   7.316 -11.152
  981   1HD   LYS 125           HD2      LYS 125  -2.212   7.639 -13.307
  982   2HD   LYS 125           HD1      LYS 125  -3.741   8.245 -12.676
  983   1HE   LYS 125           HE2      LYS 125  -2.538  10.159 -13.468
  984   2HE   LYS 125           HE1      LYS 125  -2.443  10.200 -11.707
  985   1HZ   LYS 125           HZ1      LYS 125  -0.280   8.959 -11.979
  986   2HZ   LYS 125           HZ3      LYS 125  -0.361   9.345 -13.628
  987   3HZ   LYS 125           HZ2      LYS 125  -0.277  10.585 -12.470
  988    H    LEU 126           HN       LEU 126  -5.230   5.789  -8.576
  989    HA   LEU 126           HA       LEU 126  -6.296   3.285  -9.478
  990   1HB   LEU 126           HB2      LEU 126  -6.941   4.794  -6.924
  991   2HB   LEU 126           HB1      LEU 126  -7.347   3.112  -7.247
  992    HG   LEU 126           HG       LEU 126  -5.309   2.440  -6.575
  993   1HD1  LEU 126          HD11      LEU 126  -4.531   3.160  -8.928
  994   2HD1  LEU 126          HD13      LEU 126  -3.889   4.600  -8.139
  995   3HD1  LEU 126          HD12      LEU 126  -3.294   3.006  -7.684
  996   1HD2  LEU 126          HD21      LEU 126  -5.751   4.863  -5.382
  997   2HD2  LEU 126          HD23      LEU 126  -4.441   3.761  -4.958
  998   3HD2  LEU 126          HD22      LEU 126  -4.147   5.092  -6.077
  999    H    LYS 127           HN       LYS 127  -7.544   6.463  -9.335
 1000    HA   LYS 127           HA       LYS 127 -10.350   6.006  -9.286
 1001   1HB   LYS 127           HB2      LYS 127  -8.892   8.040 -10.996
 1002   2HB   LYS 127           HB1      LYS 127 -10.537   8.165 -10.356
 1003   1HG   LYS 127           HG2      LYS 127  -8.986   7.680  -8.091
 1004   2HG   LYS 127           HG1      LYS 127  -8.009   8.798  -9.049
 1005   1HD   LYS 127           HD2      LYS 127 -10.655   9.745  -9.245
 1006   2HD   LYS 127           HD1      LYS 127 -10.430   9.328  -7.553
 1007   1HE   LYS 127           HE2      LYS 127  -8.442  10.723  -7.418
 1008   2HE   LYS 127           HE1      LYS 127  -8.514  11.045  -9.152
 1009   1HZ   LYS 127           HZ1      LYS 127 -10.892  11.868  -8.561
 1010   2HZ   LYS 127           HZ3      LYS 127 -10.247  12.047  -7.004
 1011   3HZ   LYS 127           HZ2      LYS 127  -9.553  12.883  -8.311
 1012    H    ARG 128           HN       ARG 128  -7.982   5.988 -11.881
 1013    HA   ARG 128           HA       ARG 128  -9.914   5.259 -13.942
 1014   1HB   ARG 128           HB2      ARG 128  -7.021   4.743 -14.357
 1015   2HB   ARG 128           HB1      ARG 128  -8.174   5.558 -15.407
 1016   1HG   ARG 128           HG2      ARG 128  -8.090   7.405 -13.500
 1017   2HG   ARG 128           HG1      ARG 128  -6.507   6.677 -13.185
 1018   1HD   ARG 128           HD2      ARG 128  -5.656   7.305 -15.239
 1019   2HD   ARG 128           HD1      ARG 128  -7.232   7.280 -16.024
 1020    HE   ARG 128           HE       ARG 128  -7.403   9.387 -14.222
 1021   1HH1  ARG 128          HH11      ARG 128  -5.846   8.510 -17.136
 1022   2HH1  ARG 128          HH12      ARG 128  -5.159  10.075 -17.414
 1023   1HH2  ARG 128          HH21      ARG 128  -6.274  11.394 -14.407
 1024   2HH2  ARG 128          HH22      ARG 128  -5.401  11.708 -15.869
 1025    H    LEU 129           HN       LEU 129  -8.021   3.660 -11.562
 1026    HA   LEU 129           HA       LEU 129  -7.330   1.193 -12.514
 1027   1HB   LEU 129           HB2      LEU 129  -7.679   2.220 -10.031
 1028   2HB   LEU 129           HB1      LEU 129  -8.970   1.023 -10.064
 1029    HG   LEU 129           HG       LEU 129  -7.182  -0.588 -10.962
 1030   1HD1  LEU 129          HD12      LEU 129  -5.660   1.870 -10.576
 1031   2HD1  LEU 129          HD11      LEU 129  -4.960   0.527  -9.671
 1032   3HD1  LEU 129          HD13      LEU 129  -5.190   0.391 -11.414
 1033   1HD2  LEU 129          HD22      LEU 129  -8.148  -0.454  -8.590
 1034   2HD2  LEU 129          HD21      LEU 129  -6.568  -1.221  -8.741
 1035   3HD2  LEU 129          HD23      LEU 129  -6.689   0.438  -8.158
 1036   3HOG  APC 130           H5T      ATP 130   5.469   1.734  10.655
 1037   1H3A  APC 130           H3P      ATP 130   6.924   1.554   7.352
 1038   2H3A  APC 130          H3P'      ATP 130   6.421   1.990   9.002
 1039   1H5*  APC 130           H5'      ATP 130   9.402   5.252   6.850
 1040   2H5*  APC 130          H5''      ATP 130   9.864   4.652   8.450
 1041    H4*  APC 130           H4'      ATP 130   8.597   6.288   9.317
 1042    H3*  APC 130           H3'      ATP 130   6.625   4.334   8.287
 1043   *HO3  APC 130          H3''      ATP 130   6.930   5.686  10.828
 1044    H2*  APC 130          H2''      ATP 130   4.923   5.749   7.996
 1045   *HO2  APC 130           H2'      ATP 130   4.249   6.980   9.586
 1046    H1*  APC 130           H1'      ATP 130   6.298   8.269   8.193
 1047    H8   APC 130           H8       ATP 130   5.892   5.391   5.616
 1048    H2   APC 130           H2       ATP 130   4.083  11.519   5.994
 1049   1HN6  APC 130           H61      ATP 130   3.001   7.708   2.525
 1050   2HN6  APC 130           H62      ATP 130   2.402   9.349   2.446
 1051   1HN1  CON 131          H1N1      ATP 130  11.282  -1.261  12.421
 1052   2HN1  CON 131          H2N1      ATP 130  11.297  -0.200  11.278
 1053   3HN1  CON 131          H3N1      ATP 130  11.032  -1.702  10.942
 1054   1HN2  CON 131          H1N2      ATP 130   9.643  -1.212  14.249
 1055   2HN2  CON 131          H2N2      ATP 130   8.098  -1.467  14.216
 1056   3HN2  CON 131          H3N2      ATP 130   9.082  -2.543  13.651
 1057   1HN3  CON 131          H1N3      ATP 130   8.488   1.407  13.308
 1058   2HN3  CON 131          H2N3      ATP 130   9.253   1.846  12.018
 1059   3HN3  CON 131          H3N3      ATP 130  10.024   1.148  13.181
 1060   1HN4  CON 131          H1N4      ATP 130   7.864  -3.101  11.558
 1061   2HN4  CON 131          H2N4      ATP 130   8.005  -2.476  10.132
 1062   3HN4  CON 131          H3N4      ATP 130   9.261  -3.064  10.854
 1063   1HO1  MO2 132          H1O1      MG  131  10.265  -2.868   7.089
 1064   2HO1  MO2 132          H2O1      MG  131   9.200  -1.808   7.243
 1065   1HO2  MO2 132          H1O2      MG  131   7.806  -5.889   8.657
 1066   2HO2  MO2 132          H2O2      MG  131   8.095  -4.526   9.243
   
  No H/Q in entry =        1066
  Start of MODEL    8
    1   1H    MET   1           HT3      MET   1  15.879  17.199   5.053
    2   2H    MET   1           HT2      MET   1  14.241  16.787   5.244
    3   3H    MET   1           HT1      MET   1  14.893  18.108   6.092
    4    HA   MET   1           HA       MET   1  16.205  16.719   7.466
    5   1HB   MET   1           HB2      MET   1  13.364  16.514   7.296
    6   2HB   MET   1           HB1      MET   1  13.992  14.916   7.700
    7   1HG   MET   1           HG2      MET   1  14.580  17.505   9.161
    8   2HG   MET   1           HG1      MET   1  13.613  16.157   9.760
    9   1HE   MET   1           HE3      MET   1  14.587  15.776  11.742
   10   2HE   MET   1           HE2      MET   1  14.674  14.126  11.128
   11   3HE   MET   1           HE1      MET   1  16.035  14.799  12.022
   12    H    LYS   2           HN       LYS   2  14.160  14.328   5.804
   13    HA   LYS   2           HA       LYS   2  16.512  12.911   4.760
   14   1HB   LYS   2           HB2      LYS   2  15.618  10.777   6.002
   15   2HB   LYS   2           HB1      LYS   2  16.659  11.903   6.869
   16   1HG   LYS   2           HG2      LYS   2  14.698  11.302   8.240
   17   2HG   LYS   2           HG1      LYS   2  14.680  13.016   7.830
   18   1HD   LYS   2           HD2      LYS   2  12.441  12.007   7.538
   19   2HD   LYS   2           HD1      LYS   2  13.080  12.569   6.000
   20   1HE   LYS   2           HE2      LYS   2  12.160  10.379   5.628
   21   2HE   LYS   2           HE1      LYS   2  13.912  10.207   5.601
   22   1HZ   LYS   2           HZ2      LYS   2  12.654   9.935   8.200
   23   2HZ   LYS   2           HZ1      LYS   2  12.317   8.696   7.088
   24   3HZ   LYS   2           HZ3      LYS   2  13.924   9.044   7.506
   25    H    LYS   3           HN       LYS   3  15.458  10.549   4.027
   26    HA   LYS   3           HA       LYS   3  12.896  11.271   2.664
   27   1HB   LYS   3           HB2      LYS   3  14.690  11.218   1.012
   28   2HB   LYS   3           HB1      LYS   3  15.203   9.626   1.580
   29   1HG   LYS   3           HG2      LYS   3  13.188   8.596   0.824
   30   2HG   LYS   3           HG1      LYS   3  12.404  10.157   0.577
   31   1HD   LYS   3           HD2      LYS   3  13.017   9.728  -1.602
   32   2HD   LYS   3           HD1      LYS   3  14.506  10.502  -1.057
   33   1HE   LYS   3           HE2      LYS   3  14.417   7.637  -0.441
   34   2HE   LYS   3           HE1      LYS   3  14.332   7.971  -2.171
   35   1HZ   LYS   3           HZ2      LYS   3  16.244   9.659  -0.974
   36   2HZ   LYS   3           HZ1      LYS   3  16.575   8.050  -0.539
   37   3HZ   LYS   3           HZ3      LYS   3  16.472   8.480  -2.176
   38    H    LEU   4           HN       LEU   4  11.427   9.490   2.320
   39    HA   LEU   4           HA       LEU   4  12.054   6.925   3.637
   40   1HB   LEU   4           HB2      LEU   4  11.127   7.787   5.574
   41   2HB   LEU   4           HB1      LEU   4  10.160   8.973   4.712
   42    HG   LEU   4           HG       LEU   4   8.941   7.058   5.902
   43   1HD1  LEU   4          HD11      LEU   4   8.418   8.486   3.529
   44   2HD1  LEU   4          HD13      LEU   4   7.859   6.836   3.255
   45   3HD1  LEU   4          HD12      LEU   4   7.248   7.759   4.629
   46   1HD2  LEU   4          HD22      LEU   4  10.654   5.457   4.495
   47   2HD2  LEU   4          HD21      LEU   4   9.119   4.914   5.171
   48   3HD2  LEU   4          HD23      LEU   4   9.214   5.406   3.484
   49    H    GLN   5           HN       GLN   5  11.351   5.386   2.253
   50    HA   GLN   5           HA       GLN   5   9.088   6.105   0.443
   51   1HB   GLN   5           HB2      GLN   5  11.238   4.006   0.026
   52   2HB   GLN   5           HB1      GLN   5   9.956   4.410  -1.109
   53   1HG   GLN   5           HG2      GLN   5  11.521   5.833  -1.971
   54   2HG   GLN   5           HG1      GLN   5  10.964   6.883  -0.661
   55   1HE2  GLN   5          HE22      GLN   5  14.732   5.378  -0.565
   56   2HE2  GLN   5          HE21      GLN   5  13.680   5.049  -1.856
   57    H    ILE   6           HN       ILE   6   7.513   4.434   0.056
   58    HA   ILE   6           HA       ILE   6   7.446   2.423   2.258
   59    HB   ILE   6           HB       ILE   6   5.386   4.306   1.176
   60   1HG1  ILE   6          HG12      ILE   6   6.922   4.362   3.381
   61   2HG1  ILE   6          HG11      ILE   6   5.302   5.037   3.347
   62   1HG2  ILE   6          HG23      ILE   6   4.376   2.056   0.942
   63   2HG2  ILE   6          HG22      ILE   6   4.768   1.709   2.627
   64   3HG2  ILE   6          HG21      ILE   6   3.600   2.972   2.235
   65   1HD1  ILE   6          HD13      ILE   6   5.544   2.143   4.022
   66   2HD1  ILE   6          HD12      ILE   6   6.072   3.302   5.241
   67   3HD1  ILE   6          HD11      ILE   6   4.415   3.347   4.641
   68    H    ALA   7           HN       ALA   7   7.592   0.425   1.451
   69    HA   ALA   7           HA       ALA   7   7.000  -0.101  -1.378
   70   1HB   ALA   7           HB1      ALA   7   8.845  -1.124   0.357
   71   2HB   ALA   7           HB3      ALA   7   7.592  -2.363   0.434
   72   3HB   ALA   7           HB2      ALA   7   8.322  -1.943  -1.115
   73    H    VAL   8           HN       VAL   8   4.646   0.618  -0.534
   74    HA   VAL   8           HA       VAL   8   3.191  -1.535   0.784
   75    HB   VAL   8           HB       VAL   8   2.259   0.563   1.254
   76   1HG1  VAL   8          HG11      VAL   8   3.203   1.229  -1.397
   77   2HG1  VAL   8          HG13      VAL   8   1.540   1.768  -1.182
   78   3HG1  VAL   8          HG12      VAL   8   2.793   2.300  -0.062
   79   1HG2  VAL   8          HG21      VAL   8   0.686  -1.298   0.123
   80   2HG2  VAL   8          HG23      VAL   8   0.055   0.256   0.668
   81   3HG2  VAL   8          HG22      VAL   8   0.435   0.007  -1.036
   82    H    GLY   9           HN       GLY   9   2.448  -0.046  -2.413
   83   1HA   GLY   9           HA2      GLY   9   1.663  -1.126  -4.343
   84   2HA   GLY   9           HA1      GLY   9   2.650  -2.512  -3.840
   85    H    ILE  10           HN       ILE  10  -0.400  -0.895  -3.399
   86    HA   ILE  10           HA       ILE  10  -1.659  -2.542  -1.545
   87    HB   ILE  10           HB       ILE  10  -3.488  -2.002  -3.760
   88   1HG1  ILE  10          HG12      ILE  10  -1.976   0.350  -2.577
   89   2HG1  ILE  10          HG11      ILE  10  -1.811  -0.211  -4.246
   90   1HG2  ILE  10          HG22      ILE  10  -3.497  -2.118  -0.974
   91   2HG2  ILE  10          HG21      ILE  10  -3.728  -0.404  -1.319
   92   3HG2  ILE  10          HG23      ILE  10  -4.842  -1.596  -1.988
   93   1HD1  ILE  10          HD13      ILE  10  -4.466   0.600  -3.039
   94   2HD1  ILE  10          HD12      ILE  10  -3.427   1.724  -3.916
   95   3HD1  ILE  10          HD11      ILE  10  -4.097   0.316  -4.740
   96    H    ILE  11           HN       ILE  11  -3.004  -4.435  -1.826
   97    HA   ILE  11           HA       ILE  11  -2.110  -6.025  -4.181
   98    HB   ILE  11           HB       ILE  11  -2.577  -8.013  -2.591
   99   1HG1  ILE  11          HG12      ILE  11  -2.451  -5.696  -0.637
  100   2HG1  ILE  11          HG11      ILE  11  -3.843  -6.749  -0.910
  101   1HG2  ILE  11          HG21      ILE  11  -0.317  -6.171  -2.779
  102   2HG2  ILE  11          HG23      ILE  11  -0.364  -6.974  -1.211
  103   3HG2  ILE  11          HG22      ILE  11  -0.307  -7.930  -2.689
  104   1HD1  ILE  11          HD13      ILE  11  -2.102  -8.664  -0.354
  105   2HD1  ILE  11          HD12      ILE  11  -1.249  -7.358   0.468
  106   3HD1  ILE  11          HD11      ILE  11  -2.893  -7.779   0.950
  107    H    ARG  12           HN       ARG  12  -3.816  -5.826  -5.557
  108    HA   ARG  12           HA       ARG  12  -6.579  -5.791  -4.623
  109   1HB   ARG  12           HB2      ARG  12  -5.467  -6.110  -7.432
  110   2HB   ARG  12           HB1      ARG  12  -7.146  -5.757  -7.025
  111   1HG   ARG  12           HG2      ARG  12  -6.176  -3.740  -5.716
  112   2HG   ARG  12           HG1      ARG  12  -4.724  -3.999  -6.676
  113   1HD   ARG  12           HD2      ARG  12  -7.400  -2.982  -7.519
  114   2HD   ARG  12           HD1      ARG  12  -5.796  -2.551  -8.105
  115    HE   ARG  12           HE       ARG  12  -6.159  -5.171  -8.981
  116   1HH1  ARG  12          HH11      ARG  12  -8.037  -2.286  -9.122
  117   2HH1  ARG  12          HH12      ARG  12  -8.635  -2.600 -10.715
  118   1HH2  ARG  12          HH21      ARG  12  -6.827  -5.528 -11.113
  119   2HH2  ARG  12          HH22      ARG  12  -7.951  -4.428 -11.842
  120    H    ASN  13           HN       ASN  13  -8.003  -7.601  -6.190
  121    HA   ASN  13           HA       ASN  13  -6.582 -10.162  -5.955
  122   1HB   ASN  13           HB2      ASN  13  -7.142 -10.322  -3.787
  123   2HB   ASN  13           HB1      ASN  13  -8.430  -9.133  -3.922
  124   1HD2  ASN  13          HD22      ASN  13  -9.278 -13.116  -4.530
  125   2HD2  ASN  13          HD21      ASN  13  -7.672 -12.576  -4.643
  126    H    GLU  14           HN       GLU  14 -10.126  -9.304  -6.107
  127    HA   GLU  14           HA       GLU  14 -10.342 -11.521  -8.057
  128   1HB   GLU  14           HB2      GLU  14 -12.036 -11.423  -6.386
  129   2HB   GLU  14           HB1      GLU  14 -12.343  -9.727  -6.680
  130   1HG   GLU  14           HG2      GLU  14 -14.125 -10.896  -7.759
  131   2HG   GLU  14           HG1      GLU  14 -13.034 -10.409  -9.055
  132    H    ASN  15           HN       ASN  15 -10.649  -8.082  -8.023
  133    HA   ASN  15           HA       ASN  15 -10.270  -7.893 -10.900
  134   1HB   ASN  15           HB2      ASN  15 -12.727  -8.306 -10.820
  135   2HB   ASN  15           HB1      ASN  15 -12.906  -6.962  -9.691
  136   1HD2  ASN  15          HD22      ASN  15 -13.608  -5.318 -12.856
  137   2HD2  ASN  15          HD21      ASN  15 -14.376  -6.250 -11.664
  138    H    ASN  16           HN       ASN  16 -11.316  -6.486  -7.907
  139    HA   ASN  16           HA       ASN  16  -9.193  -4.520  -7.974
  140   1HB   ASN  16           HB2      ASN  16 -11.508  -3.675  -9.129
  141   2HB   ASN  16           HB1      ASN  16 -11.865  -3.322  -7.440
  142   1HD2  ASN  16          HD22      ASN  16  -9.065  -0.972  -7.192
  143   2HD2  ASN  16          HD21      ASN  16  -9.755  -2.239  -6.299
  144    H    GLU  17           HN       GLU  17  -9.989  -6.925  -6.427
  145    HA   GLU  17           HA       GLU  17 -11.043  -5.691  -3.939
  146   1HB   GLU  17           HB2      GLU  17 -10.124  -8.538  -4.223
  147   2HB   GLU  17           HB1      GLU  17 -11.322  -7.884  -3.106
  148   1HG   GLU  17           HG2      GLU  17 -11.607  -8.060  -6.114
  149   2HG   GLU  17           HG1      GLU  17 -12.418  -9.097  -4.943
  150    H    ILE  18           HN       ILE  18  -9.604  -4.586  -2.802
  151    HA   ILE  18           HA       ILE  18  -6.790  -5.537  -2.801
  152    HB   ILE  18           HB       ILE  18  -7.027  -3.071  -1.398
  153   1HG1  ILE  18          HG12      ILE  18  -7.856  -1.758  -3.489
  154   2HG1  ILE  18          HG11      ILE  18  -8.650  -3.268  -3.935
  155   1HG2  ILE  18          HG23      ILE  18  -5.823  -4.075  -3.954
  156   2HG2  ILE  18          HG22      ILE  18  -5.794  -2.347  -3.605
  157   3HG2  ILE  18          HG21      ILE  18  -5.021  -3.484  -2.501
  158   1HD1  ILE  18          HD13      ILE  18  -9.467  -3.167  -1.403
  159   2HD1  ILE  18          HD12      ILE  18  -9.202  -1.439  -1.635
  160   3HD1  ILE  18          HD11      ILE  18 -10.332  -2.305  -2.676
  161    H    PHE  19           HN       PHE  19  -5.615  -5.837  -0.908
  162    HA   PHE  19           HA       PHE  19  -7.193  -6.600   1.451
  163   1HB   PHE  19           HB2      PHE  19  -5.090  -7.812   0.563
  164   2HB   PHE  19           HB1      PHE  19  -4.178  -6.476   1.262
  165    HD1  PHE  19           HD1      PHE  19  -7.074  -8.635   2.316
  166    HD2  PHE  19           HD2      PHE  19  -3.276  -6.920   3.356
  167    HE1  PHE  19           HE1      PHE  19  -7.179  -9.739   4.533
  168    HE2  PHE  19           HE2      PHE  19  -3.391  -8.025   5.576
  169    HZ   PHE  19           HZ       PHE  19  -5.338  -9.433   6.162
  170    H    ILE  20           HN       ILE  20  -7.320  -3.805   0.768
  171    HA   ILE  20           HA       ILE  20  -5.486  -2.330   2.443
  172    HB   ILE  20           HB       ILE  20  -6.498  -1.285   0.453
  173   1HG1  ILE  20          HG12      ILE  20  -7.216   0.813   1.516
  174   2HG1  ILE  20          HG11      ILE  20  -7.465  -0.035   3.041
  175   1HG2  ILE  20          HG22      ILE  20  -8.729  -2.593   0.991
  176   2HG2  ILE  20          HG21      ILE  20  -9.114  -1.128   1.894
  177   3HG2  ILE  20          HG23      ILE  20  -8.789  -1.036   0.163
  178   1HD1  ILE  20          HD11      ILE  20  -4.976  -0.707   2.857
  179   2HD1  ILE  20          HD13      ILE  20  -4.866   0.541   1.624
  180   3HD1  ILE  20          HD12      ILE  20  -5.334   0.962   3.271
  181    H    THR  21           HN       THR  21  -6.035  -1.186   4.306
  182    HA   THR  21           HA       THR  21  -7.712  -2.566   6.204
  183    HB   THR  21           HB       THR  21  -5.864  -1.301   7.021
  184    HG1  THR  21           HG1      THR  21  -6.966  -0.507   8.615
  185   1HG2  THR  21          HG23      THR  21  -6.936   0.727   5.147
  186   2HG2  THR  21          HG22      THR  21  -6.212   1.348   6.631
  187   3HG2  THR  21          HG21      THR  21  -5.265   0.331   5.544
  188    H    ARG  22           HN       ARG  22  -9.781  -2.627   5.056
  189    HA   ARG  22           HA       ARG  22 -11.109  -0.077   4.443
  190   1HB   ARG  22           HB2      ARG  22 -11.436  -1.948   2.915
  191   2HB   ARG  22           HB1      ARG  22 -12.030  -2.959   4.233
  192   1HG   ARG  22           HG2      ARG  22 -13.980  -2.159   3.117
  193   2HG   ARG  22           HG1      ARG  22 -13.845  -1.191   4.584
  194   1HD   ARG  22           HD2      ARG  22 -12.504   0.474   3.128
  195   2HD   ARG  22           HD1      ARG  22 -13.172  -0.405   1.751
  196    HE   ARG  22           HE       ARG  22 -15.396   0.173   3.297
  197   1HH1  ARG  22          HH11      ARG  22 -13.561   2.534   4.076
  198   2HH1  ARG  22          HH12      ARG  22 -14.112   3.739   2.961
  199   1HH2  ARG  22          HH21      ARG  22 -15.762   1.472   0.918
  200   2HH2  ARG  22          HH22      ARG  22 -15.359   3.136   1.173
  201    H    ARG  23           HN       ARG  23 -11.430   0.897   6.458
  202    HA   ARG  23           HA       ARG  23 -12.163   1.040   8.725
  203   1HB   ARG  23           HB2      ARG  23 -14.869   0.444   8.352
  204   2HB   ARG  23           HB1      ARG  23 -14.112   2.025   8.200
  205   1HG   ARG  23           HG2      ARG  23 -14.016   1.908   5.878
  206   2HG   ARG  23           HG1      ARG  23 -14.031   0.147   5.863
  207   1HD   ARG  23           HD2      ARG  23 -16.410   1.694   6.870
  208   2HD   ARG  23           HD1      ARG  23 -16.201   1.378   5.149
  209    HE   ARG  23           HE       ARG  23 -15.885  -1.115   6.306
  210   1HH1  ARG  23          HH11      ARG  23 -18.331   0.726   5.074
  211   2HH1  ARG  23          HH12      ARG  23 -19.620  -0.043   5.939
  212   1HH2  ARG  23          HH21      ARG  23 -17.509  -1.839   8.023
  213   2HH2  ARG  23          HH22      ARG  23 -19.155  -1.495   7.608
  214    H    ALA  24           HN       ALA  24 -11.041  -0.969   9.454
  215    HA   ALA  24           HA       ALA  24 -11.984  -3.559   9.473
  216   1HB   ALA  24           HB2      ALA  24 -10.835  -2.013  11.816
  217   2HB   ALA  24           HB1      ALA  24 -11.021  -3.766  11.787
  218   3HB   ALA  24           HB3      ALA  24  -9.936  -2.976  10.643
  219    H    ALA  25           HN       ALA  25 -13.065  -0.960  11.672
  220    HA   ALA  25           HA       ALA  25 -15.176  -2.656  12.790
  221   1HB   ALA  25           HB3      ALA  25 -13.835  -0.425  13.699
  222   2HB   ALA  25           HB2      ALA  25 -15.390   0.249  13.213
  223   3HB   ALA  25           HB1      ALA  25 -15.326  -1.056  14.398
  224    H    ASP  26           HN       ASP  26 -17.475  -2.173  12.501
  225    HA   ASP  26           HA       ASP  26 -18.228  -1.738   9.797
  226   1HB   ASP  26           HB2      ASP  26 -19.669  -2.917  11.424
  227   2HB   ASP  26           HB1      ASP  26 -19.913  -1.403  12.298
  228    H    ALA  27           HN       ALA  27 -17.326   0.233   9.034
  229    HA   ALA  27           HA       ALA  27 -18.160   2.731  10.411
  230   1HB   ALA  27           HB3      ALA  27 -15.816   1.989   9.045
  231   2HB   ALA  27           HB2      ALA  27 -16.628   3.130   7.975
  232   3HB   ALA  27           HB1      ALA  27 -16.227   3.601   9.625
  233    H    HIS  28           HN       HIS  28 -20.349   2.999   9.779
  234    HA   HIS  28           HA       HIS  28 -21.470   2.491   7.252
  235   1HB   HIS  28           HB2      HIS  28 -22.344   3.745   9.558
  236   2HB   HIS  28           HB1      HIS  28 -22.311   5.073   8.396
  237    HD1  HIS  28           HD1      HIS  28 -24.667   5.340   7.580
  238    HD2  HIS  28           HD2      HIS  28 -23.488   1.316   7.756
  239    HE1  HIS  28           HE1      HIS  28 -26.567   3.956   6.589
  240    H    MET  29           HN       MET  29 -19.229   4.910   8.302
  241    HA   MET  29           HA       MET  29 -19.480   6.713   6.056
  242   1HB   MET  29           HB2      MET  29 -17.393   6.229   8.179
  243   2HB   MET  29           HB1      MET  29 -17.092   7.359   6.863
  244   1HG   MET  29           HG2      MET  29 -19.672   7.990   7.763
  245   2HG   MET  29           HG1      MET  29 -18.742   7.704   9.234
  246   1HE   MET  29           HE3      MET  29 -20.156   9.884   7.309
  247   2HE   MET  29           HE2      MET  29 -19.280  11.412   7.372
  248   3HE   MET  29           HE1      MET  29 -19.021  10.311   6.021
  249    H    ALA  30           HN       ALA  30 -16.945   7.016   5.089
  250    HA   ALA  30           HA       ALA  30 -15.903   4.429   4.195
  251   1HB   ALA  30           HB3      ALA  30 -17.848   5.006   2.666
  252   2HB   ALA  30           HB2      ALA  30 -16.902   6.397   2.134
  253   3HB   ALA  30           HB1      ALA  30 -16.298   4.763   1.861
  254    H    ASN  31           HN       ASN  31 -14.444   5.574   1.971
  255    HA   ASN  31           HA       ASN  31 -12.572   6.959   1.542
  256   1HB   ASN  31           HB2      ASN  31 -14.163   8.606   3.013
  257   2HB   ASN  31           HB1      ASN  31 -12.785   8.441   4.101
  258   1HD2  ASN  31          HD22      ASN  31 -10.507  10.102   1.876
  259   2HD2  ASN  31          HD21      ASN  31 -10.588   8.946   3.117
  260    H    LYS  32           HN       LYS  32 -13.076   4.897   4.093
  261    HA   LYS  32           HA       LYS  32 -10.522   5.232   5.464
  262   1HB   LYS  32           HB2      LYS  32 -12.937   4.190   6.158
  263   2HB   LYS  32           HB1      LYS  32 -12.047   2.719   5.769
  264   1HG   LYS  32           HG2      LYS  32 -11.340   4.836   7.805
  265   2HG   LYS  32           HG1      LYS  32 -11.645   3.123   8.086
  266   1HD   LYS  32           HD2      LYS  32  -9.620   2.765   6.462
  267   2HD   LYS  32           HD1      LYS  32  -9.228   4.437   6.873
  268   1HE   LYS  32           HE2      LYS  32  -9.541   3.677   9.337
  269   2HE   LYS  32           HE1      LYS  32  -9.385   2.041   8.697
  270   1HZ   LYS  32           HZ1      LYS  32  -7.420   4.222   8.256
  271   2HZ   LYS  32           HZ3      LYS  32  -7.259   3.005   9.426
  272   3HZ   LYS  32           HZ2      LYS  32  -7.259   2.601   7.776
  273    H    LEU  33           HN       LEU  33  -9.652   4.984   2.996
  274    HA   LEU  33           HA       LEU  33  -8.844   2.120   2.670
  275   1HB   LEU  33           HB2      LEU  33  -9.476   4.242   0.593
  276   2HB   LEU  33           HB1      LEU  33  -8.581   2.783   0.174
  277    HG   LEU  33           HG       LEU  33 -11.428   3.025   1.142
  278   1HD1  LEU  33          HD12      LEU  33 -10.862   3.098  -1.299
  279   2HD1  LEU  33          HD11      LEU  33 -10.154   1.491  -1.141
  280   3HD1  LEU  33          HD13      LEU  33 -11.880   1.726  -0.863
  281   1HD2  LEU  33          HD23      LEU  33  -9.540   0.681   1.331
  282   2HD2  LEU  33          HD22      LEU  33 -10.704   1.259   2.523
  283   3HD2  LEU  33          HD21      LEU  33 -11.265   0.415   1.079
  284    H    GLU  34           HN       GLU  34  -6.943   2.600   4.031
  285    HA   GLU  34           HA       GLU  34  -5.134   4.733   3.155
  286   1HB   GLU  34           HB2      GLU  34  -5.485   3.712   5.564
  287   2HB   GLU  34           HB1      GLU  34  -4.285   2.541   5.017
  288   1HG   GLU  34           HG2      GLU  34  -3.206   4.950   4.186
  289   2HG   GLU  34           HG1      GLU  34  -3.939   5.365   5.737
  290    H    PHE  35           HN       PHE  35  -2.815   2.740   3.805
  291    HA   PHE  35           HA       PHE  35  -2.853   1.045   1.413
  292   1HB   PHE  35           HB2      PHE  35  -1.009   3.422   1.700
  293   2HB   PHE  35           HB1      PHE  35  -0.652   2.069   0.627
  294    HD1  PHE  35           HD1      PHE  35  -3.152   1.314  -0.544
  295    HD2  PHE  35           HD2      PHE  35  -1.737   5.245   0.449
  296    HE1  PHE  35           HE1      PHE  35  -4.651   2.288  -2.263
  297    HE2  PHE  35           HE2      PHE  35  -3.234   6.217  -1.268
  298    HZ   PHE  35           HZ       PHE  35  -4.691   4.740  -2.627
  299    HA   PRO  36           HA       PRO  36  -0.651  -1.333   4.436
  300   1HB   PRO  36           HB2      PRO  36   0.168  -3.199   2.441
  301   2HB   PRO  36           HB1      PRO  36  -1.209  -3.340   3.541
  302   1HG   PRO  36           HG2      PRO  36  -1.224  -2.710   0.675
  303   2HG   PRO  36           HG1      PRO  36  -2.573  -3.181   1.715
  304   1HD   PRO  36           HD2      PRO  36  -2.100  -0.602   0.698
  305   2HD   PRO  36           HD1      PRO  36  -3.228  -1.017   2.014
  306    H    GLY  37           HN       GLY  37   1.034   0.291   4.679
  307   1HA   GLY  37           HA2      GLY  37   3.075   0.878   2.825
  308   2HA   GLY  37           HA1      GLY  37   3.241   1.042   4.566
  309    H    GLY  38           HN       GLY  38   5.278   0.221   4.802
  310   1HA   GLY  38           HA2      GLY  38   5.810  -2.446   5.230
  311   2HA   GLY  38           HA1      GLY  38   6.174  -2.224   3.516
  312    H    LYS  39           HN       LYS  39   7.312   0.119   3.276
  313    HA   LYS  39           HA       LYS  39   9.018   1.627   3.993
  314   1HB   LYS  39           HB2      LYS  39   8.892   0.883   6.356
  315   2HB   LYS  39           HB1      LYS  39   9.854  -0.537   5.947
  316   1HG   LYS  39           HG2      LYS  39  11.304   1.213   6.857
  317   2HG   LYS  39           HG1      LYS  39  11.674   0.942   5.153
  318   1HD   LYS  39           HD2      LYS  39   9.624   2.878   5.184
  319   2HD   LYS  39           HD1      LYS  39  10.760   3.364   6.441
  320   1HE   LYS  39           HE2      LYS  39  12.125   2.436   4.031
  321   2HE   LYS  39           HE1      LYS  39  11.068   3.812   3.708
  322   1HZ   LYS  39           HZ2      LYS  39  13.123   3.684   5.850
  323   2HZ   LYS  39           HZ1      LYS  39  13.288   4.513   4.377
  324   3HZ   LYS  39           HZ3      LYS  39  12.126   5.014   5.506
  325    H    ILE  40           HN       ILE  40   9.405   0.748   1.697
  326    HA   ILE  40           HA       ILE  40  11.187  -1.382   1.176
  327    HB   ILE  40           HB       ILE  40  10.396  -0.612  -0.798
  328   1HG1  ILE  40          HG12      ILE  40  13.042  -0.324  -0.629
  329   2HG1  ILE  40          HG11      ILE  40  12.168   0.086  -2.101
  330   1HG2  ILE  40          HG21      ILE  40  10.431   2.064   0.530
  331   2HG2  ILE  40          HG23      ILE  40  10.388   2.011  -1.232
  332   3HG2  ILE  40          HG22      ILE  40   9.107   1.241  -0.294
  333   1HD1  ILE  40          HD11      ILE  40  12.332   2.263  -0.104
  334   2HD1  ILE  40          HD13      ILE  40  13.880   1.776  -0.795
  335   3HD1  ILE  40          HD12      ILE  40  12.575   2.317  -1.850
  336    H    GLU  41           HN       GLU  41  13.214  -1.679   1.753
  337    HA   GLU  41           HA       GLU  41  15.227   0.365   1.694
  338   1HB   GLU  41           HB2      GLU  41  15.580   0.806   4.004
  339   2HB   GLU  41           HB1      GLU  41  13.844   0.984   3.750
  340   1HG   GLU  41           HG2      GLU  41  13.398  -1.191   4.674
  341   2HG   GLU  41           HG1      GLU  41  15.114  -1.601   4.694
  342    H    MET  42           HN       MET  42  14.190  -2.848   2.565
  343    HA   MET  42           HA       MET  42  16.328  -4.137   3.658
  344   1HB   MET  42           HB2      MET  42  14.224  -4.874   1.814
  345   2HB   MET  42           HB1      MET  42  15.706  -5.751   1.431
  346   1HG   MET  42           HG2      MET  42  15.048  -7.161   3.086
  347   2HG   MET  42           HG1      MET  42  15.665  -5.912   4.169
  348   1HE   MET  42           HE2      MET  42  14.818  -5.104   5.705
  349   2HE   MET  42           HE1      MET  42  13.486  -3.971   5.490
  350   3HE   MET  42           HE3      MET  42  13.241  -5.467   6.402
  351    H    GLY  43           HN       GLY  43  16.180  -4.398   0.121
  352   1HA   GLY  43           HA2      GLY  43  19.129  -4.273   0.054
  353   2HA   GLY  43           HA1      GLY  43  18.079  -4.721  -1.296
  354    H    GLU  44           HN       GLU  44  18.185  -3.263  -2.883
  355    HA   GLU  44           HA       GLU  44  18.018  -0.384  -2.196
  356   1HB   GLU  44           HB2      GLU  44  19.741  -0.165  -4.230
  357   2HB   GLU  44           HB1      GLU  44  20.297  -0.336  -2.567
  358   1HG   GLU  44           HG2      GLU  44  21.541  -1.935  -3.830
  359   2HG   GLU  44           HG1      GLU  44  20.308  -2.860  -2.977
  360    H    THR  45           HN       THR  45  16.604  -2.844  -3.678
  361    HA   THR  45           HA       THR  45  15.677  -1.174  -5.983
  362    HB   THR  45           HB       THR  45  15.934  -4.197  -5.866
  363    HG1  THR  45           HG1      THR  45  17.416  -2.780  -7.690
  364   1HG2  THR  45          HG22      THR  45  14.121  -3.120  -7.334
  365   2HG2  THR  45          HG21      THR  45  15.446  -2.460  -8.291
  366   3HG2  THR  45          HG23      THR  45  15.247  -4.206  -8.143
  367    HA   PRO  46           HA       PRO  46  11.726  -1.424  -4.053
  368   1HB   PRO  46           HB2      PRO  46  10.423  -1.825  -6.619
  369   2HB   PRO  46           HB1      PRO  46  10.396  -0.399  -5.571
  370   1HG   PRO  46           HG2      PRO  46  11.820  -0.691  -8.039
  371   2HG   PRO  46           HG1      PRO  46  11.897   0.674  -6.917
  372   1HD   PRO  46           HD2      PRO  46  13.933  -1.296  -7.435
  373   2HD   PRO  46           HD1      PRO  46  14.007   0.069  -6.306
  374    H    GLU  47           HN       GLU  47  13.050  -3.900  -6.078
  375    HA   GLU  47           HA       GLU  47  10.883  -5.803  -5.682
  376   1HB   GLU  47           HB2      GLU  47  13.308  -5.698  -7.197
  377   2HB   GLU  47           HB1      GLU  47  13.385  -7.123  -6.160
  378   1HG   GLU  47           HG2      GLU  47  11.089  -7.747  -6.954
  379   2HG   GLU  47           HG1      GLU  47  11.173  -6.411  -8.103
  380    H    GLN  48           HN       GLN  48  14.259  -6.379  -4.664
  381    HA   GLN  48           HA       GLN  48  13.634  -8.021  -2.494
  382   1HB   GLN  48           HB2      GLN  48  15.929  -6.166  -3.044
  383   2HB   GLN  48           HB1      GLN  48  15.771  -6.875  -1.426
  384   1HG   GLN  48           HG2      GLN  48  15.268  -8.968  -3.254
  385   2HG   GLN  48           HG1      GLN  48  16.706  -8.132  -3.838
  386   1HE2  GLN  48          HE22      GLN  48  17.122 -10.602  -0.757
  387   2HE2  GLN  48          HE21      GLN  48  15.830 -10.637  -1.859
  388    H    ALA  49           HN       ALA  49  13.653  -4.514  -2.627
  389    HA   ALA  49           HA       ALA  49  13.360  -4.037   0.153
  390   1HB   ALA  49           HB2      ALA  49  12.929  -2.520  -2.341
  391   2HB   ALA  49           HB1      ALA  49  11.974  -1.978  -0.963
  392   3HB   ALA  49           HB3      ALA  49  13.731  -2.033  -0.849
  393    H    VAL  50           HN       VAL  50  10.764  -3.849  -2.299
  394    HA   VAL  50           HA       VAL  50   8.700  -3.948  -0.301
  395    HB   VAL  50           HB       VAL  50   8.666  -3.054  -2.759
  396   1HG1  VAL  50          HG13      VAL  50   7.738  -5.922  -3.120
  397   2HG1  VAL  50          HG12      VAL  50   7.564  -4.641  -4.318
  398   3HG1  VAL  50          HG11      VAL  50   9.168  -5.204  -3.856
  399   1HG2  VAL  50          HG21      VAL  50   6.777  -3.515  -0.864
  400   2HG2  VAL  50          HG23      VAL  50   6.442  -2.759  -2.421
  401   3HG2  VAL  50          HG22      VAL  50   6.149  -4.484  -2.196
  402    H    VAL  51           HN       VAL  51   9.833  -6.364  -2.604
  403    HA   VAL  51           HA       VAL  51   8.152  -8.496  -1.908
  404    HB   VAL  51           HB       VAL  51   9.892  -8.255  -3.820
  405   1HG1  VAL  51          HG12      VAL  51  11.754  -7.995  -2.051
  406   2HG1  VAL  51          HG11      VAL  51  11.639  -9.745  -1.870
  407   3HG1  VAL  51          HG13      VAL  51  12.076  -9.046  -3.428
  408   1HG2  VAL  51          HG21      VAL  51   9.436 -10.821  -2.284
  409   2HG2  VAL  51          HG23      VAL  51   8.532 -10.224  -3.675
  410   3HG2  VAL  51          HG22      VAL  51  10.196 -10.771  -3.874
  411    H    ARG  52           HN       ARG  52  11.178  -7.437  -0.378
  412    HA   ARG  52           HA       ARG  52  11.227  -9.709   1.460
  413   1HB   ARG  52           HB2      ARG  52  12.792  -7.106   1.447
  414   2HB   ARG  52           HB1      ARG  52  13.088  -8.437   2.554
  415   1HG   ARG  52           HG2      ARG  52  13.190  -8.689  -0.461
  416   2HG   ARG  52           HG1      ARG  52  14.607  -8.452   0.562
  417   1HD   ARG  52           HD2      ARG  52  13.075 -10.592   1.672
  418   2HD   ARG  52           HD1      ARG  52  13.268 -10.900  -0.052
  419    HE   ARG  52           HE       ARG  52  15.810 -10.173   0.787
  420   1HH1  ARG  52          HH11      ARG  52  14.674 -11.434   3.381
  421   2HH1  ARG  52          HH12      ARG  52  15.273 -13.051   3.226
  422   1HH2  ARG  52          HH21      ARG  52  16.061 -12.721  -0.133
  423   2HH2  ARG  52          HH22      ARG  52  16.058 -13.779   1.237
  424    H    GLU  53           HN       GLU  53  10.194  -6.336   1.492
  425    HA   GLU  53           HA       GLU  53   9.454  -6.289   4.295
  426   1HB   GLU  53           HB2      GLU  53   8.354  -4.623   2.015
  427   2HB   GLU  53           HB1      GLU  53   8.238  -4.250   3.736
  428   1HG   GLU  53           HG2      GLU  53  10.977  -4.777   2.836
  429   2HG   GLU  53           HG1      GLU  53  10.238  -3.371   2.060
  430    H    LEU  54           HN       LEU  54   8.255  -7.736   1.497
  431    HA   LEU  54           HA       LEU  54   5.447  -7.826   2.237
  432   1HB   LEU  54           HB2      LEU  54   7.157  -8.609  -0.004
  433   2HB   LEU  54           HB1      LEU  54   5.961  -9.840   0.371
  434    HG   LEU  54           HG       LEU  54   4.935  -8.368  -1.217
  435   1HD1  LEU  54          HD12      LEU  54   3.811  -8.900   1.158
  436   2HD1  LEU  54          HD11      LEU  54   3.814  -7.143   1.252
  437   3HD1  LEU  54          HD13      LEU  54   2.988  -7.952  -0.081
  438   1HD2  LEU  54          HD22      LEU  54   6.065  -6.193   0.554
  439   2HD2  LEU  54          HD21      LEU  54   6.338  -6.451  -1.170
  440   3HD2  LEU  54          HD23      LEU  54   4.772  -5.871  -0.601
  441    H    GLN  55           HN       GLN  55   7.841 -10.393   1.727
  442    HA   GLN  55           HA       GLN  55   6.459 -12.418   3.142
  443   1HB   GLN  55           HB2      GLN  55   9.055 -13.159   3.541
  444   2HB   GLN  55           HB1      GLN  55   8.165 -13.454   2.051
  445   1HG   GLN  55           HG2      GLN  55   9.222 -11.733   0.916
  446   2HG   GLN  55           HG1      GLN  55   9.550 -10.816   2.387
  447   1HE2  GLN  55          HE22      GLN  55  12.146 -13.769   1.209
  448   2HE2  GLN  55          HE21      GLN  55  10.595 -13.685   0.523
  449    H    GLU  56           HN       GLU  56   9.076 -10.277   4.360
  450    HA   GLU  56           HA       GLU  56   9.296 -11.285   6.935
  451   1HB   GLU  56           HB2      GLU  56   9.830  -8.953   7.685
  452   2HB   GLU  56           HB1      GLU  56  10.709  -9.449   6.245
  453   1HG   GLU  56           HG2      GLU  56  10.001  -7.422   5.505
  454   2HG   GLU  56           HG1      GLU  56   8.560  -8.328   5.059
  455    H    GLU  57           HN       GLU  57   6.560  -9.621   5.569
  456    HA   GLU  57           HA       GLU  57   5.357  -9.072   8.179
  457   1HB   GLU  57           HB2      GLU  57   3.985  -9.049   5.476
  458   2HB   GLU  57           HB1      GLU  57   3.495  -8.199   6.941
  459   1HG   GLU  57           HG2      GLU  57   6.244  -7.636   6.026
  460   2HG   GLU  57           HG1      GLU  57   4.975  -7.083   4.942
  461    H    VAL  58           HN       VAL  58   3.395 -10.632   5.740
  462    HA   VAL  58           HA       VAL  58   2.525 -12.637   7.662
  463    HB   VAL  58           HB       VAL  58   1.853 -12.202   4.751
  464   1HG1  VAL  58          HG12      VAL  58   1.409 -14.502   5.894
  465   2HG1  VAL  58          HG11      VAL  58   0.114 -13.628   6.713
  466   3HG1  VAL  58          HG13      VAL  58   0.130 -13.735   4.953
  467   1HG2  VAL  58          HG22      VAL  58   0.512 -11.331   7.318
  468   2HG2  VAL  58          HG21      VAL  58   1.262 -10.280   6.116
  469   3HG2  VAL  58          HG23      VAL  58  -0.210 -11.166   5.718
  470    H    GLY  59           HN       GLY  59   3.341 -13.265   4.242
  471   1HA   GLY  59           HA2      GLY  59   5.619 -14.587   4.095
  472   2HA   GLY  59           HA1      GLY  59   4.780 -15.699   5.172
  473    H    ILE  60           HN       ILE  60   3.322 -13.965   2.416
  474    HA   ILE  60           HA       ILE  60   2.566 -16.622   1.317
  475    HB   ILE  60           HB       ILE  60   1.084 -15.327  -0.227
  476   1HG1  ILE  60          HG12      ILE  60   0.740 -12.876   0.611
  477   2HG1  ILE  60          HG11      ILE  60   2.374 -13.046   1.230
  478   1HG2  ILE  60          HG23      ILE  60   0.862 -15.666   2.601
  479   2HG2  ILE  60          HG22      ILE  60   0.088 -14.143   2.166
  480   3HG2  ILE  60          HG21      ILE  60  -0.426 -15.645   1.397
  481   1HD1  ILE  60          HD11      ILE  60   1.744 -13.785  -1.614
  482   2HD1  ILE  60          HD13      ILE  60   2.060 -12.109  -1.173
  483   3HD1  ILE  60          HD12      ILE  60   3.298 -13.335  -0.911
  484    H    THR  61           HN       THR  61   2.395 -15.545  -1.502
  485    HA   THR  61           HA       THR  61   5.138 -14.775  -2.130
  486    HB   THR  61           HB       THR  61   4.263 -17.626  -2.331
  487    HG1  THR  61           HG1      THR  61   6.519 -16.142  -1.558
  488   1HG2  THR  61          HG23      THR  61   6.219 -16.253  -4.198
  489   2HG2  THR  61          HG22      THR  61   6.114 -18.002  -3.989
  490   3HG2  THR  61          HG21      THR  61   4.748 -17.108  -4.658
  491    HA   PRO  62           HA       PRO  62   2.926 -15.678  -6.399
  492   1HB   PRO  62           HB2      PRO  62   0.138 -16.031  -5.717
  493   2HB   PRO  62           HB1      PRO  62   1.199 -17.106  -6.646
  494   1HG   PRO  62           HG2      PRO  62   0.268 -17.416  -3.959
  495   2HG   PRO  62           HG1      PRO  62   1.321 -18.512  -4.863
  496   1HD   PRO  62           HD2      PRO  62   2.087 -16.884  -2.652
  497   2HD   PRO  62           HD1      PRO  62   3.160 -17.808  -3.715
  498    H    GLN  63           HN       GLN  63   2.056 -13.614  -3.852
  499    HA   GLN  63           HA       GLN  63   0.002 -12.010  -4.566
  500   1HB   GLN  63           HB2      GLN  63   1.342 -10.020  -3.888
  501   2HB   GLN  63           HB1      GLN  63   1.491 -11.367  -2.762
  502   1HG   GLN  63           HG2      GLN  63   3.685 -11.694  -3.242
  503   2HG   GLN  63           HG1      GLN  63   3.454 -11.383  -4.962
  504   1HE2  GLN  63          HE22      GLN  63   5.417  -8.494  -3.791
  505   2HE2  GLN  63          HE21      GLN  63   5.664 -10.144  -4.102
  506    H    HIS  64           HN       HIS  64   2.940 -12.374  -6.502
  507    HA   HIS  64           HA       HIS  64   3.443 -11.512  -8.639
  508   1HB   HIS  64           HB2      HIS  64   0.858 -12.472  -8.712
  509   2HB   HIS  64           HB1      HIS  64   0.649 -10.810  -9.266
  510    HD1  HIS  64           HD1      HIS  64   3.003 -13.761  -9.959
  511    HD2  HIS  64           HD2      HIS  64   1.205 -10.533 -11.950
  512    HE1  HIS  64           HE1      HIS  64   3.652 -13.941 -12.420
  513    H    PHE  65           HN       PHE  65   4.294  -9.688  -7.299
  514    HA   PHE  65           HA       PHE  65   2.736  -7.292  -6.942
  515   1HB   PHE  65           HB2      PHE  65   4.890  -6.304  -6.296
  516   2HB   PHE  65           HB1      PHE  65   4.666  -7.894  -5.559
  517    HD1  PHE  65           HD1      PHE  65   6.152  -6.234  -8.569
  518    HD2  PHE  65           HD2      PHE  65   6.292  -9.575  -5.871
  519    HE1  PHE  65           HE1      PHE  65   8.221  -7.040  -9.675
  520    HE2  PHE  65           HE2      PHE  65   8.363 -10.378  -6.976
  521    HZ   PHE  65           HZ       PHE  65   9.326  -9.112  -8.878
  522    H    SER  66           HN       SER  66   2.781  -5.386  -8.101
  523    HA   SER  66           HA       SER  66   4.335  -5.246 -10.622
  524   1HB   SER  66           HB2      SER  66   1.412  -5.582 -10.409
  525   2HB   SER  66           HB1      SER  66   1.903  -4.211 -11.396
  526    HG   SER  66           HG       SER  66   1.730  -6.322 -12.475
  527    H    LEU  67           HN       LEU  67   5.035  -3.122 -10.937
  528    HA   LEU  67           HA       LEU  67   4.748  -1.236  -8.821
  529   1HB   LEU  67           HB2      LEU  67   6.470  -1.377 -10.829
  530   2HB   LEU  67           HB1      LEU  67   5.328  -0.283 -11.599
  531    HG   LEU  67           HG       LEU  67   7.026   0.153  -9.161
  532   1HD1  LEU  67          HD13      LEU  67   6.856   1.119 -11.830
  533   2HD1  LEU  67          HD12      LEU  67   6.441   2.458 -10.760
  534   3HD1  LEU  67          HD11      LEU  67   7.981   1.620 -10.567
  535   1HD2  LEU  67          HD22      LEU  67   4.646   0.563  -8.462
  536   2HD2  LEU  67          HD21      LEU  67   5.625   2.028  -8.470
  537   3HD2  LEU  67          HD23      LEU  67   4.499   1.714  -9.788
  538    H    PHE  68           HN       PHE  68   3.596  -0.702 -12.130
  539    HA   PHE  68           HA       PHE  68   1.524   0.062 -12.922
  540   1HB   PHE  68           HB2      PHE  68  -0.188  -0.546 -11.596
  541   2HB   PHE  68           HB1      PHE  68   0.870  -0.675 -10.208
  542    HD1  PHE  68           HD2      PHE  68  -1.126   1.737 -12.226
  543    HD2  PHE  68           HD1      PHE  68   0.788   0.951  -8.463
  544    HE1  PHE  68           HE2      PHE  68  -2.175   3.770 -11.269
  545    HE2  PHE  68           HE1      PHE  68  -0.260   2.983  -7.505
  546    HZ   PHE  68           HZ       PHE  68  -1.741   4.394  -8.908
  547    H    GLU  69           HN       GLU  69   2.687   1.756  -9.998
  548    HA   GLU  69           HA       GLU  69   3.708   3.998 -11.319
  549   1HB   GLU  69           HB2      GLU  69   0.815   3.974 -11.289
  550   2HB   GLU  69           HB1      GLU  69   1.418   5.335 -10.343
  551   1HG   GLU  69           HG2      GLU  69   2.435   4.682 -13.118
  552   2HG   GLU  69           HG1      GLU  69   1.108   5.806 -12.820
  553    H    LYS  70           HN       LYS  70   3.637   6.004  -9.695
  554    HA   LYS  70           HA       LYS  70   3.313   5.239  -6.890
  555   1HB   LYS  70           HB2      LYS  70   5.671   5.403  -6.304
  556   2HB   LYS  70           HB1      LYS  70   5.479   4.167  -7.546
  557   1HG   LYS  70           HG2      LYS  70   7.031   5.290  -8.731
  558   2HG   LYS  70           HG1      LYS  70   5.802   6.523  -8.995
  559   1HD   LYS  70           HD2      LYS  70   7.922   7.452  -8.046
  560   2HD   LYS  70           HD1      LYS  70   6.520   7.734  -7.013
  561   1HE   LYS  70           HE2      LYS  70   7.593   6.695  -5.331
  562   2HE   LYS  70           HE1      LYS  70   7.570   5.206  -6.277
  563   1HZ   LYS  70           HZ3      LYS  70   9.589   6.165  -7.446
  564   2HZ   LYS  70           HZ2      LYS  70   9.676   7.277  -6.165
  565   3HZ   LYS  70           HZ1      LYS  70   9.812   5.611  -5.858
  566    H    LEU  71           HN       LEU  71   4.670   7.146  -5.598
  567    HA   LEU  71           HA       LEU  71   4.452   9.686  -7.079
  568   1HB   LEU  71           HB2      LEU  71   3.064  10.678  -5.182
  569   2HB   LEU  71           HB1      LEU  71   2.210   9.595  -6.273
  570    HG   LEU  71           HG       LEU  71   2.357   7.770  -4.674
  571   1HD1  LEU  71          HD13      LEU  71   4.172   9.680  -3.207
  572   2HD1  LEU  71          HD12      LEU  71   3.312   8.413  -2.334
  573   3HD1  LEU  71          HD11      LEU  71   4.449   7.987  -3.613
  574   1HD2  LEU  71          HD22      LEU  71   1.090  10.307  -4.123
  575   2HD2  LEU  71          HD21      LEU  71   0.499   8.683  -3.771
  576   3HD2  LEU  71          HD23      LEU  71   1.525   9.520  -2.606
  577    H    GLU  72           HN       GLU  72   5.009  11.533  -5.449
  578    HA   GLU  72           HA       GLU  72   6.891  10.652  -3.346
  579   1HB   GLU  72           HB2      GLU  72   8.010  11.125  -5.727
  580   2HB   GLU  72           HB1      GLU  72   7.854  12.801  -5.198
  581   1HG   GLU  72           HG2      GLU  72   9.023  12.206  -3.076
  582   2HG   GLU  72           HG1      GLU  72   9.260  10.568  -3.692
  583    H    TYR  73           HN       TYR  73   5.342  11.537  -1.926
  584    HA   TYR  73           HA       TYR  73   4.382  14.263  -2.260
  585   1HB   TYR  73           HB2      TYR  73   3.383  12.114  -0.974
  586   2HB   TYR  73           HB1      TYR  73   4.205  12.888   0.373
  587    HD1  TYR  73           HD2      TYR  73   3.727  15.693  -1.301
  588    HD2  TYR  73           HD1      TYR  73   1.284  12.593   0.393
  589    HE1  TYR  73           HE2      TYR  73   1.849  17.291  -1.083
  590    HE2  TYR  73           HE1      TYR  73  -0.593  14.192   0.614
  591    HH   TYR  73           HH       TYR  73  -1.180  16.358   0.512
  592    H    GLU  74           HN       GLU  74   5.543  16.030  -1.657
  593    HA   GLU  74           HA       GLU  74   7.875  15.566   0.103
  594   1HB   GLU  74           HB2      GLU  74   7.586  17.027  -2.251
  595   2HB   GLU  74           HB1      GLU  74   7.593  18.264  -0.994
  596   1HG   GLU  74           HG2      GLU  74   9.605  16.430  -0.262
  597   2HG   GLU  74           HG1      GLU  74   9.799  16.680  -1.997
  598    H    PHE  75           HN       PHE  75   8.260  17.085   1.865
  599    HA   PHE  75           HA       PHE  75   5.819  18.533   2.772
  600   1HB   PHE  75           HB2      PHE  75   7.179  16.260   4.012
  601   2HB   PHE  75           HB1      PHE  75   7.077  17.635   5.103
  602    HD1  PHE  75           HD1      PHE  75   4.453  18.791   3.926
  603    HD2  PHE  75           HD2      PHE  75   5.609  14.828   5.119
  604    HE1  PHE  75           HE1      PHE  75   2.086  18.236   4.375
  605    HE2  PHE  75           HE2      PHE  75   3.234  14.275   5.566
  606    HZ   PHE  75           HZ       PHE  75   1.472  15.979   5.194
  607    HA   PRO  76           HA       PRO  76   8.277  21.988   3.961
  608   1HB   PRO  76           HB2      PRO  76   8.265  21.534   6.843
  609   2HB   PRO  76           HB1      PRO  76   7.445  22.802   5.917
  610   1HG   PRO  76           HG2      PRO  76   6.269  20.454   7.110
  611   2HG   PRO  76           HG1      PRO  76   5.454  21.716   6.172
  612   1HD   PRO  76           HD2      PRO  76   5.917  19.033   5.365
  613   2HD   PRO  76           HD1      PRO  76   5.310  20.354   4.351
  614    H    ASP  77           HN       ASP  77   8.978  18.957   5.623
  615    HA   ASP  77           HA       ASP  77  11.784  19.078   4.880
  616   1HB   ASP  77           HB2      ASP  77  10.997  20.143   7.452
  617   2HB   ASP  77           HB1      ASP  77  11.951  18.677   7.685
  618    H    ARG  78           HN       ARG  78   9.932  17.294   4.165
  619    HA   ARG  78           HA       ARG  78  10.827  14.833   5.498
  620   1HB   ARG  78           HB2      ARG  78   8.565  16.014   6.453
  621   2HB   ARG  78           HB1      ARG  78   7.891  15.014   5.165
  622   1HG   ARG  78           HG2      ARG  78   7.907  13.702   7.164
  623   2HG   ARG  78           HG1      ARG  78   9.159  13.062   6.108
  624   1HD   ARG  78           HD2      ARG  78  10.752  13.494   7.638
  625   2HD   ARG  78           HD1      ARG  78  10.239  15.175   7.757
  626    HE   ARG  78           HE       ARG  78   9.872  13.438   9.836
  627   1HH1  ARG  78          HH21      ARG  78   8.147  15.915   8.406
  628   2HH1  ARG  78          HH22      ARG  78   6.631  15.540   9.157
  629   1HH2  ARG  78          HH11      ARG  78   7.726  12.526  10.476
  630   2HH2  ARG  78          HH12      ARG  78   6.394  13.623  10.326
  631    H    HIS  79           HN       HIS  79  11.701  14.236   3.443
  632    HA   HIS  79           HA       HIS  79  10.023  14.298   1.045
  633   1HB   HIS  79           HB2      HIS  79  12.811  13.771   1.678
  634   2HB   HIS  79           HB1      HIS  79  12.167  12.540   0.590
  635    HD1  HIS  79           HD1      HIS  79  12.155  13.144  -1.828
  636    HD2  HIS  79           HD2      HIS  79  12.117  16.535   0.642
  637    HE1  HIS  79           HE1      HIS  79  12.272  15.182  -3.353
  638    H    ILE  80           HN       ILE  80   8.478  12.779   0.650
  639    HA   ILE  80           HA       ILE  80   8.857  10.097   1.916
  640    HB   ILE  80           HB       ILE  80   6.405  11.803   1.540
  641   1HG1  ILE  80          HG12      ILE  80   6.036  11.251   3.848
  642   2HG1  ILE  80          HG11      ILE  80   7.253   9.977   3.804
  643   1HG2  ILE  80          HG22      ILE  80   5.937   9.610   0.438
  644   2HG2  ILE  80          HG21      ILE  80   6.374   8.796   1.941
  645   3HG2  ILE  80          HG23      ILE  80   4.977   9.866   1.883
  646   1HD1  ILE  80          HD11      ILE  80   8.065  12.773   3.097
  647   2HD1  ILE  80          HD13      ILE  80   7.850  12.355   4.796
  648   3HD1  ILE  80          HD12      ILE  80   9.025  11.480   3.816
  649    H    THR  81           HN       THR  81   7.754   8.329   0.761
  650    HA   THR  81           HA       THR  81   7.234   8.663  -2.111
  651    HB   THR  81           HB       THR  81   9.252   6.585  -1.343
  652    HG1  THR  81           HG1      THR  81  10.724   8.417  -2.198
  653   1HG2  THR  81          HG21      THR  81   8.058   7.656  -3.747
  654   2HG2  THR  81          HG23      THR  81   9.812   7.813  -3.819
  655   3HG2  THR  81          HG22      THR  81   9.079   6.231  -3.558
  656    H    LEU  82           HN       LEU  82   6.172   6.683  -2.942
  657    HA   LEU  82           HA       LEU  82   5.579   4.617  -0.908
  658   1HB   LEU  82           HB2      LEU  82   3.856   6.734  -1.159
  659   2HB   LEU  82           HB1      LEU  82   3.157   5.569  -2.285
  660    HG   LEU  82           HG       LEU  82   3.794   3.985  -0.121
  661   1HD1  LEU  82          HD11      LEU  82   4.347   6.021   1.192
  662   2HD1  LEU  82          HD13      LEU  82   2.716   6.628   0.909
  663   3HD1  LEU  82          HD12      LEU  82   2.960   5.165   1.863
  664   1HD2  LEU  82          HD22      LEU  82   1.648   4.281  -1.570
  665   2HD2  LEU  82          HD21      LEU  82   1.460   3.724   0.092
  666   3HD2  LEU  82          HD23      LEU  82   1.142   5.411  -0.314
  667    H    TRP  83           HN       TRP  83   6.911   3.452  -2.578
  668    HA   TRP  83           HA       TRP  83   6.182   3.085  -5.267
  669   1HB   TRP  83           HB2      TRP  83   7.158   0.988  -3.300
  670   2HB   TRP  83           HB1      TRP  83   7.136   0.787  -5.054
  671    HD1  TRP  83           HD1      TRP  83   8.752   2.949  -2.323
  672    HE1  TRP  83           HE1      TRP  83  10.979   3.933  -3.232
  673    HE3  TRP  83           HE3      TRP  83   8.470   1.323  -7.155
  674    HZ2  TRP  83           HZ2      TRP  83  12.411   3.989  -5.718
  675    HZ3  TRP  83           HZ3      TRP  83  10.273   1.852  -8.769
  676    HH2  TRP  83           HH2      TRP  83  12.241   3.182  -8.058
  677    H    PHE  84           HN       PHE  84   4.079   2.797  -5.925
  678    HA   PHE  84           HA       PHE  84   2.209   1.220  -4.284
  679   1HB   PHE  84           HB2      PHE  84   1.988   2.881  -6.780
  680   2HB   PHE  84           HB1      PHE  84   0.734   1.697  -6.425
  681    HD1  PHE  84           HD2      PHE  84   2.505   4.672  -5.056
  682    HD2  PHE  84           HD1      PHE  84  -0.874   2.042  -4.713
  683    HE1  PHE  84           HE2      PHE  84   1.477   6.209  -3.403
  684    HE2  PHE  84           HE1      PHE  84  -1.903   3.578  -3.060
  685    HZ   PHE  84           HZ       PHE  84  -0.728   5.662  -2.407
  686    H    TRP  85           HN       TRP  85   3.737  -0.756  -4.656
  687    HA   TRP  85           HA       TRP  85   3.676  -1.939  -7.316
  688   1HB   TRP  85           HB2      TRP  85   4.485  -2.936  -4.584
  689   2HB   TRP  85           HB1      TRP  85   4.428  -4.020  -5.977
  690    HD1  TRP  85           HD1      TRP  85   6.269  -0.970  -4.615
  691    HE1  TRP  85           HE1      TRP  85   8.454  -0.606  -5.965
  692    HE3  TRP  85           HE3      TRP  85   5.583  -4.466  -8.271
  693    HZ2  TRP  85           HZ2      TRP  85   9.703  -1.692  -8.305
  694    HZ3  TRP  85           HZ3      TRP  85   7.282  -4.783 -10.044
  695    HH2  TRP  85           HH2      TRP  85   9.341  -3.401 -10.067
  696    H    LEU  86           HN       LEU  86   1.371  -1.968  -7.812
  697    HA   LEU  86           HA       LEU  86  -0.485  -3.286  -6.045
  698   1HB   LEU  86           HB2      LEU  86  -0.588  -2.373  -8.897
  699   2HB   LEU  86           HB1      LEU  86  -1.836  -3.470  -8.301
  700    HG   LEU  86           HG       LEU  86  -2.632  -1.236  -7.967
  701   1HD1  LEU  86          HD13      LEU  86  -2.747  -3.010  -6.064
  702   2HD1  LEU  86          HD12      LEU  86  -1.596  -1.956  -5.244
  703   3HD1  LEU  86          HD11      LEU  86  -3.185  -1.342  -5.699
  704   1HD2  LEU  86          HD23      LEU  86   0.078  -0.612  -7.695
  705   2HD2  LEU  86          HD22      LEU  86  -1.269   0.513  -7.520
  706   3HD2  LEU  86          HD21      LEU  86  -0.603  -0.294  -6.100
  707    H    VAL  87           HN       VAL  87  -0.792  -5.396  -5.758
  708    HA   VAL  87           HA       VAL  87   0.538  -7.277  -7.650
  709    HB   VAL  87           HB       VAL  87   0.943  -8.680  -5.879
  710   1HG1  VAL  87          HG13      VAL  87   0.352  -6.054  -4.488
  711   2HG1  VAL  87          HG12      VAL  87   1.174  -7.405  -3.712
  712   3HG1  VAL  87          HG11      VAL  87   1.907  -6.609  -5.104
  713   1HG2  VAL  87          HG23      VAL  87  -1.523  -9.109  -5.545
  714   2HG2  VAL  87          HG22      VAL  87  -0.584  -9.142  -4.056
  715   3HG2  VAL  87          HG21      VAL  87  -1.559  -7.731  -4.450
  716    H    GLU  88           HN       GLU  88  -0.944  -9.522  -7.632
  717    HA   GLU  88           HA       GLU  88  -3.796  -8.754  -7.732
  718   1HB   GLU  88           HB2      GLU  88  -2.269  -9.560 -10.212
  719   2HB   GLU  88           HB1      GLU  88  -4.025  -9.413 -10.119
  720   1HG   GLU  88           HG2      GLU  88  -3.694  -7.024  -9.337
  721   2HG   GLU  88           HG1      GLU  88  -1.981  -7.210  -9.713
  722    H    ARG  89           HN       ARG  89  -1.609 -11.177  -6.999
  723    HA   ARG  89           HA       ARG  89  -3.810 -13.082  -6.797
  724   1HB   ARG  89           HB2      ARG  89  -3.081 -14.760  -8.295
  725   2HB   ARG  89           HB1      ARG  89  -2.961 -13.263  -9.212
  726   1HG   ARG  89           HG2      ARG  89  -0.817 -13.810  -9.625
  727   2HG   ARG  89           HG1      ARG  89  -0.494 -13.495  -7.926
  728   1HD   ARG  89           HD2      ARG  89   0.286 -15.707  -8.276
  729   2HD   ARG  89           HD1      ARG  89  -1.288 -15.912  -7.511
  730    HE   ARG  89           HE       ARG  89  -1.856 -15.932 -10.225
  731   1HH1  ARG  89          HH11      ARG  89   0.684 -17.075 -10.931
  732   2HH1  ARG  89          HH12      ARG  89   0.499 -18.768 -10.621
  733   1HH2  ARG  89          HH21      ARG  89  -2.287 -18.367  -8.600
  734   2HH2  ARG  89          HH22      ARG  89  -1.180 -19.499  -9.301
  735    H    TRP  90           HN       TRP  90  -2.913 -12.540  -4.572
  736    HA   TRP  90           HA       TRP  90  -0.353 -13.759  -3.854
  737   1HB   TRP  90           HB2      TRP  90  -0.930 -13.147  -1.578
  738   2HB   TRP  90           HB1      TRP  90  -1.290 -11.785  -2.641
  739    HD1  TRP  90           HD1      TRP  90  -3.188 -14.885  -1.285
  740    HE1  TRP  90           HE1      TRP  90  -5.624 -14.200  -0.734
  741    HE3  TRP  90           HE3      TRP  90  -3.038  -9.961  -2.690
  742    HZ2  TRP  90           HZ2      TRP  90  -7.249 -11.871  -0.871
  743    HZ3  TRP  90           HZ3      TRP  90  -5.063  -8.536  -2.452
  744    HH2  TRP  90           HH2      TRP  90  -7.157  -9.485  -1.545
  745    H    GLU  91           HN       GLU  91  -0.273 -15.477  -2.106
  746    HA   GLU  91           HA       GLU  91  -2.146 -17.644  -2.825
  747   1HB   GLU  91           HB2      GLU  91  -0.500 -19.072  -2.172
  748   2HB   GLU  91           HB1      GLU  91   0.528 -17.649  -2.201
  749   1HG   GLU  91           HG2      GLU  91   0.145 -17.273   0.184
  750   2HG   GLU  91           HG1      GLU  91  -0.967 -18.640   0.239
  751    H    GLY  92           HN       GLY  92  -3.734 -18.450  -1.490
  752   1HA   GLY  92           HA2      GLY  92  -5.382 -18.269   0.189
  753   2HA   GLY  92           HA1      GLY  92  -3.983 -18.484   1.236
  754    H    GLU  93           HN       GLU  93  -3.026 -16.611   2.203
  755    HA   GLU  93           HA       GLU  93  -4.881 -14.279   2.286
  756   1HB   GLU  93           HB2      GLU  93  -3.933 -13.792   4.455
  757   2HB   GLU  93           HB1      GLU  93  -4.300 -15.516   4.416
  758   1HG   GLU  93           HG2      GLU  93  -1.998 -16.078   3.993
  759   2HG   GLU  93           HG1      GLU  93  -1.577 -14.385   3.734
  760    HA   PRO  94           HA       PRO  94  -1.883 -11.625   0.465
  761   1HB   PRO  94           HB2      PRO  94  -2.397  -9.338   2.025
  762   2HB   PRO  94           HB1      PRO  94  -3.270  -9.811   0.562
  763   1HG   PRO  94           HG2      PRO  94  -4.198  -9.856   3.320
  764   2HG   PRO  94           HG1      PRO  94  -5.125 -10.142   1.842
  765   1HD   PRO  94           HD2      PRO  94  -4.192 -12.088   3.764
  766   2HD   PRO  94           HD1      PRO  94  -5.150 -12.378   2.300
  767    H    TRP  95           HN       TRP  95  -0.594  -9.424   1.807
  768    HA   TRP  95           HA       TRP  95   0.628 -10.075   4.260
  769   1HB   TRP  95           HB2      TRP  95   2.794 -10.925   3.582
  770   2HB   TRP  95           HB1      TRP  95   1.544 -11.980   2.932
  771    HD1  TRP  95           HD1      TRP  95   0.947  -9.540   0.619
  772    HE1  TRP  95           HE1      TRP  95   2.459  -9.629  -1.492
  773    HE3  TRP  95           HE3      TRP  95   4.751 -12.403   2.446
  774    HZ2  TRP  95           HZ2      TRP  95   4.982 -10.807  -2.245
  775    HZ3  TRP  95           HZ3      TRP  95   6.690 -12.993   1.022
  776    HH2  TRP  95           HH2      TRP  95   6.809 -12.198  -1.322
  777    H    GLY  96           HN       GLY  96  -0.270  -7.681   3.278
  778   1HA   GLY  96           HA2      GLY  96   2.293  -6.178   2.935
  779   2HA   GLY  96           HA1      GLY  96   0.870  -5.754   1.984
  780    H    LYS  97           HN       LYS  97  -0.366  -6.702   4.844
  781    HA   LYS  97           HA       LYS  97  -1.207  -4.122   5.651
  782   1HB   LYS  97           HB2      LYS  97  -1.252  -5.543   8.031
  783   2HB   LYS  97           HB1      LYS  97  -2.556  -5.475   6.852
  784   1HG   LYS  97           HG2      LYS  97  -1.967  -7.809   7.475
  785   2HG   LYS  97           HG1      LYS  97  -1.710  -7.496   5.761
  786   1HD   LYS  97           HD2      LYS  97   0.318  -8.449   6.178
  787   2HD   LYS  97           HD1      LYS  97   0.726  -6.819   6.719
  788   1HE   LYS  97           HE2      LYS  97   1.316  -8.663   8.360
  789   2HE   LYS  97           HE1      LYS  97   0.289  -7.390   9.017
  790   1HZ   LYS  97           HZ2      LYS  97  -1.158  -9.550   7.776
  791   2HZ   LYS  97           HZ1      LYS  97  -0.258 -10.022   9.137
  792   3HZ   LYS  97           HZ3      LYS  97  -1.414  -8.789   9.274
  793    H    GLU  98           HN       GLU  98   0.391  -2.587   5.963
  794    HA   GLU  98           HA       GLU  98   2.756  -3.200   7.600
  795   1HB   GLU  98           HB2      GLU  98   2.865  -1.630   5.665
  796   2HB   GLU  98           HB1      GLU  98   1.802  -0.528   6.535
  797   1HG   GLU  98           HG2      GLU  98   4.354  -0.116   6.714
  798   2HG   GLU  98           HG1      GLU  98   3.418  -0.096   8.207
  799    H    GLY  99           HN       GLY  99   1.629  -3.762   9.611
  800   1HA   GLY  99           HA2      GLY  99   0.883  -3.204  11.767
  801   2HA   GLY  99           HA1      GLY  99   1.304  -1.532  11.389
  802    H    GLN 100           HN       GLN 100  -0.763  -3.048   9.135
  803    HA   GLN 100           HA       GLN 100  -3.134  -1.664  10.328
  804   1HB   GLN 100           HB2      GLN 100  -3.818  -1.016   8.125
  805   2HB   GLN 100           HB1      GLN 100  -2.101  -0.635   8.222
  806   1HG   GLN 100           HG2      GLN 100  -1.511  -2.631   7.010
  807   2HG   GLN 100           HG1      GLN 100  -3.168  -3.231   7.082
  808   1HE2  GLN 100          HE22      GLN 100  -3.344   0.156   4.910
  809   2HE2  GLN 100          HE21      GLN 100  -3.112   0.167   6.589
  810    HA   PRO 101           HA       PRO 101  -5.347  -5.431  10.080
  811   1HB   PRO 101           HB2      PRO 101  -7.655  -4.412   8.694
  812   2HB   PRO 101           HB1      PRO 101  -7.477  -4.705  10.426
  813   1HG   PRO 101           HG2      PRO 101  -7.616  -2.168   9.115
  814   2HG   PRO 101           HG1      PRO 101  -7.308  -2.467  10.832
  815   1HD   PRO 101           HD2      PRO 101  -5.428  -1.607   8.781
  816   2HD   PRO 101           HD1      PRO 101  -5.172  -1.740  10.524
  817    H    GLY 102           HN       GLY 102  -5.821  -3.521   7.093
  818   1HA   GLY 102           HA2      GLY 102  -5.675  -4.161   4.840
  819   2HA   GLY 102           HA1      GLY 102  -4.583  -5.440   5.380
  820    H    GLU 103           HN       GLU 103  -7.481  -4.949   3.875
  821    HA   GLU 103           HA       GLU 103  -8.271  -7.763   4.406
  822   1HB   GLU 103           HB2      GLU 103 -10.705  -6.910   4.730
  823   2HB   GLU 103           HB1      GLU 103  -9.599  -6.816   6.099
  824   1HG   GLU 103           HG2      GLU 103  -9.089  -4.424   4.999
  825   2HG   GLU 103           HG1      GLU 103 -10.743  -4.627   4.431
  826    H    TRP 104           HN       TRP 104  -9.138  -8.723   2.551
  827    HA   TRP 104           HA       TRP 104  -9.042  -7.435   0.052
  828   1HB   TRP 104           HB2      TRP 104 -11.226  -9.458   0.558
  829   2HB   TRP 104           HB1      TRP 104 -10.239  -9.232  -0.885
  830    HD1  TRP 104           HD1      TRP 104  -7.383  -9.233   0.414
  831    HE1  TRP 104           HE1      TRP 104  -6.374 -11.428   1.362
  832    HE3  TRP 104           HE3      TRP 104 -11.687 -11.880   1.155
  833    HZ2  TRP 104           HZ2      TRP 104  -7.324 -13.959   2.310
  834    HZ3  TRP 104           HZ3      TRP 104 -11.608 -14.178   2.079
  835    HH2  TRP 104           HH2      TRP 104  -9.434 -15.221   2.656
  836    H    MET 105           HN       MET 105 -10.265  -5.872  -0.819
  837    HA   MET 105           HA       MET 105 -12.758  -5.113   0.631
  838   1HB   MET 105           HB2      MET 105 -10.657  -3.556   0.284
  839   2HB   MET 105           HB1      MET 105 -11.335  -3.344  -1.334
  840   1HG   MET 105           HG2      MET 105 -12.842  -2.863   1.249
  841   2HG   MET 105           HG1      MET 105 -12.118  -1.600   0.254
  842   1HE   MET 105           HE1      MET 105 -14.739  -2.006   1.418
  843   2HE   MET 105           HE3      MET 105 -15.944  -1.521   0.218
  844   3HE   MET 105           HE2      MET 105 -15.798  -3.213   0.691
  845    H    SER 106           HN       SER 106 -14.687  -5.232  -0.527
  846    HA   SER 106           HA       SER 106 -14.474  -6.355  -3.223
  847   1HB   SER 106           HB2      SER 106 -16.236  -6.918  -1.328
  848   2HB   SER 106           HB1      SER 106 -17.096  -5.540  -2.009
  849    HG   SER 106           HG       SER 106 -17.245  -6.582  -3.930
  850    H    LEU 107           HN       LEU 107 -13.446  -3.751  -3.072
  851    HA   LEU 107           HA       LEU 107 -15.461  -1.887  -4.080
  852   1HB   LEU 107           HB2      LEU 107 -13.750  -0.873  -2.781
  853   2HB   LEU 107           HB1      LEU 107 -12.478  -1.753  -3.628
  854    HG   LEU 107           HG       LEU 107 -14.206  -0.065  -5.335
  855   1HD1  LEU 107          HD13      LEU 107 -12.302   1.091  -3.282
  856   2HD1  LEU 107          HD12      LEU 107 -12.886   1.982  -4.688
  857   3HD1  LEU 107          HD11      LEU 107 -14.021   1.440  -3.453
  858   1HD2  LEU 107          HD21      LEU 107 -12.166  -1.373  -6.058
  859   2HD2  LEU 107          HD23      LEU 107 -12.101   0.344  -6.448
  860   3HD2  LEU 107          HD22      LEU 107 -11.193  -0.279  -5.073
  861    H    VAL 108           HN       VAL 108 -15.465  -1.078  -6.257
  862    HA   VAL 108           HA       VAL 108 -14.046  -2.861  -8.197
  863    HB   VAL 108           HB       VAL 108 -16.784  -1.580  -8.336
  864   1HG1  VAL 108          HG11      VAL 108 -14.897  -2.460 -10.446
  865   2HG1  VAL 108          HG13      VAL 108 -16.566  -3.004 -10.625
  866   3HG1  VAL 108          HG12      VAL 108 -16.206  -1.281 -10.524
  867   1HG2  VAL 108          HG21      VAL 108 -15.684  -4.382  -8.205
  868   2HG2  VAL 108          HG23      VAL 108 -16.982  -3.657  -7.257
  869   3HG2  VAL 108          HG22      VAL 108 -17.256  -4.081  -8.947
  870    H    GLY 109           HN       GLY 109 -12.743  -1.811  -9.666
  871   1HA   GLY 109           HA2      GLY 109 -11.485   0.036 -10.467
  872   2HA   GLY 109           HA1      GLY 109 -13.083   0.588 -10.980
  873    H    LEU 110           HN       LEU 110 -10.791   0.663  -8.283
  874    HA   LEU 110           HA       LEU 110 -12.083   2.212  -6.429
  875   1HB   LEU 110           HB2      LEU 110  -9.343   1.707  -7.110
  876   2HB   LEU 110           HB1      LEU 110  -9.542   3.425  -6.698
  877    HG   LEU 110           HG       LEU 110 -11.024   1.581  -4.946
  878   1HD1  LEU 110          HD13      LEU 110  -8.044   1.407  -5.259
  879   2HD1  LEU 110          HD12      LEU 110  -8.766   1.201  -3.664
  880   3HD1  LEU 110          HD11      LEU 110  -9.211   0.117  -4.980
  881   1HD2  LEU 110          HD22      LEU 110  -9.528   4.127  -4.849
  882   2HD2  LEU 110          HD21      LEU 110 -11.017   3.664  -4.028
  883   3HD2  LEU 110          HD23      LEU 110  -9.459   3.159  -3.376
  884    H    ASN 111           HN       ASN 111 -11.980   4.606  -6.006
  885    HA   ASN 111           HA       ASN 111 -12.060   6.193  -8.533
  886   1HB   ASN 111           HB2      ASN 111 -14.306   5.259  -7.408
  887   2HB   ASN 111           HB1      ASN 111 -14.133   6.756  -6.480
  888   1HD2  ASN 111          HD22      ASN 111 -15.331   8.707  -9.153
  889   2HD2  ASN 111          HD21      ASN 111 -15.111   8.522  -7.479
  890    H    ALA 112           HN       ALA 112 -10.797   5.957  -5.478
  891    HA   ALA 112           HA       ALA 112  -9.461   7.539  -4.325
  892   1HB   ALA 112           HB1      ALA 112  -9.358   8.814  -6.536
  893   2HB   ALA 112           HB3      ALA 112 -10.746   9.733  -5.956
  894   3HB   ALA 112           HB2      ALA 112  -9.222   9.784  -5.074
  895    H    ASP 113           HN       ASP 113 -12.844   8.136  -5.044
  896    HA   ASP 113           HA       ASP 113 -13.620   9.864  -3.001
  897   1HB   ASP 113           HB2      ASP 113 -14.865   8.274  -4.891
  898   2HB   ASP 113           HB1      ASP 113 -15.402   7.557  -3.380
  899    H    ASP 114           HN       ASP 114 -12.675   6.501  -2.869
  900    HA   ASP 114           HA       ASP 114 -13.417   6.356   0.007
  901   1HB   ASP 114           HB2      ASP 114 -13.030   4.415  -2.193
  902   2HB   ASP 114           HB1      ASP 114 -12.460   3.884  -0.603
  903    H    PHE 115           HN       PHE 115 -10.712   6.729  -2.102
  904    HA   PHE 115           HA       PHE 115  -8.733   5.850  -0.106
  905   1HB   PHE 115           HB2      PHE 115  -8.653   6.889  -2.909
  906   2HB   PHE 115           HB1      PHE 115  -7.217   7.093  -1.924
  907    HD1  PHE 115           HD1      PHE 115  -7.537   4.514  -0.291
  908    HD2  PHE 115           HD2      PHE 115  -7.810   5.311  -4.487
  909    HE1  PHE 115           HE1      PHE 115  -6.847   2.185  -0.768
  910    HE2  PHE 115           HE2      PHE 115  -7.129   2.981  -4.976
  911    HZ   PHE 115           HZ       PHE 115  -6.644   1.415  -3.115
  912    HA   PRO 116           HA       PRO 116  -8.495   9.756   1.934
  913   1HB   PRO 116           HB2      PRO 116  -5.710   9.473   2.525
  914   2HB   PRO 116           HB1      PRO 116  -7.077   9.120   3.590
  915   1HG   PRO 116           HG2      PRO 116  -5.317   7.239   2.254
  916   2HG   PRO 116           HG1      PRO 116  -6.616   6.897   3.406
  917   1HD   PRO 116           HD2      PRO 116  -6.627   6.417   0.579
  918   2HD   PRO 116           HD1      PRO 116  -7.963   6.165   1.722
  919    HA   PRO 117           HA       PRO 117  -6.883  12.465  -1.134
  920   1HB   PRO 117           HB2      PRO 117  -6.475  14.614   0.703
  921   2HB   PRO 117           HB1      PRO 117  -7.854  14.364  -0.376
  922   1HG   PRO 117           HG2      PRO 117  -7.774  14.059   2.501
  923   2HG   PRO 117           HG1      PRO 117  -9.163  13.872   1.421
  924   1HD   PRO 117           HD2      PRO 117  -7.694  11.796   2.774
  925   2HD   PRO 117           HD1      PRO 117  -9.076  11.613   1.675
  926    H    ALA 118           HN       ALA 118  -5.137  11.684   1.763
  927    HA   ALA 118           HA       ALA 118  -2.771  13.192   1.421
  928   1HB   ALA 118           HB3      ALA 118  -3.435  11.594   3.344
  929   2HB   ALA 118           HB2      ALA 118  -2.729  10.322   2.345
  930   3HB   ALA 118           HB1      ALA 118  -1.732  11.669   2.894
  931    H    ASN 119           HN       ASN 119  -3.356   9.835   0.282
  932    HA   ASN 119           HA       ASN 119  -1.019  10.104  -1.515
  933   1HB   ASN 119           HB2      ASN 119  -2.656   7.862  -0.453
  934   2HB   ASN 119           HB1      ASN 119  -1.984   7.638  -2.068
  935   1HD2  ASN 119          HD22      ASN 119   0.431   7.192   1.084
  936   2HD2  ASN 119          HD21      ASN 119  -1.263   7.226   1.195
  937    H    GLU 120           HN       GLU 120  -3.070  11.835  -2.223
  938    HA   GLU 120           HA       GLU 120  -4.961  10.874  -4.115
  939   1HB   GLU 120           HB2      GLU 120  -4.298  13.318  -3.085
  940   2HB   GLU 120           HB1      GLU 120  -3.772  13.474  -4.753
  941   1HG   GLU 120           HG2      GLU 120  -6.000  14.080  -4.991
  942   2HG   GLU 120           HG1      GLU 120  -6.106  12.345  -5.275
  943    HA   PRO 121           HA       PRO 121  -1.485  12.293  -7.349
  944   1HB   PRO 121           HB2      PRO 121   0.749  10.971  -5.965
  945   2HB   PRO 121           HB1      PRO 121   0.727  12.529  -6.803
  946   1HG   PRO 121           HG2      PRO 121   0.744  12.191  -4.028
  947   2HG   PRO 121           HG1      PRO 121   0.219  13.663  -4.860
  948   1HD   PRO 121           HD2      PRO 121  -1.386  11.717  -3.418
  949   2HD   PRO 121           HD1      PRO 121  -1.890  13.292  -4.063
  950    H    VAL 122           HN       VAL 122  -1.017   9.238  -5.542
  951    HA   VAL 122           HA       VAL 122  -0.936   7.836  -8.142
  952    HB   VAL 122           HB       VAL 122  -0.302   7.135  -5.313
  953   1HG1  VAL 122          HG12      VAL 122  -1.543   5.327  -7.280
  954   2HG1  VAL 122          HG11      VAL 122  -0.030   4.723  -6.606
  955   3HG1  VAL 122          HG13      VAL 122  -1.369   5.136  -5.536
  956   1HG2  VAL 122          HG22      VAL 122   1.380   7.930  -7.051
  957   2HG2  VAL 122          HG21      VAL 122   1.776   6.396  -6.276
  958   3HG2  VAL 122          HG23      VAL 122   1.093   6.413  -7.902
  959    H    ILE 123           HN       ILE 123  -3.053   8.505  -5.465
  960    HA   ILE 123           HA       ILE 123  -4.990   6.424  -6.033
  961    HB   ILE 123           HB       ILE 123  -4.962   8.943  -4.397
  962   1HG1  ILE 123          HG12      ILE 123  -6.269   6.473  -3.459
  963   2HG1  ILE 123          HG11      ILE 123  -4.564   6.285  -3.841
  964   1HG2  ILE 123          HG21      ILE 123  -7.417   7.602  -5.519
  965   2HG2  ILE 123          HG23      ILE 123  -7.472   8.344  -3.920
  966   3HG2  ILE 123          HG22      ILE 123  -7.084   9.323  -5.334
  967   1HD1  ILE 123          HD13      ILE 123  -5.336   8.696  -2.276
  968   2HD1  ILE 123          HD12      ILE 123  -5.415   7.144  -1.440
  969   3HD1  ILE 123          HD11      ILE 123  -3.898   7.685  -2.152
  970    H    ALA 124           HN       ALA 124  -3.975   9.220  -7.634
  971    HA   ALA 124           HA       ALA 124  -6.465  10.035  -8.853
  972   1HB   ALA 124           HB1      ALA 124  -3.695  10.826  -8.919
  973   2HB   ALA 124           HB3      ALA 124  -4.285  10.634 -10.571
  974   3HB   ALA 124           HB2      ALA 124  -5.105  11.735  -9.463
  975    H    LYS 125           HN       LYS 125  -4.029   7.678  -9.374
  976    HA   LYS 125           HA       LYS 125  -4.836   6.979 -12.089
  977   1HB   LYS 125           HB2      LYS 125  -3.089   5.459 -10.138
  978   2HB   LYS 125           HB1      LYS 125  -3.144   5.250 -11.892
  979   1HG   LYS 125           HG2      LYS 125  -2.205   7.679 -10.351
  980   2HG   LYS 125           HG1      LYS 125  -1.256   6.656 -11.431
  981   1HD   LYS 125           HD2      LYS 125  -2.610   7.377 -13.345
  982   2HD   LYS 125           HD1      LYS 125  -3.612   8.362 -12.280
  983   1HE   LYS 125           HE2      LYS 125  -1.887   9.898 -11.860
  984   2HE   LYS 125           HE1      LYS 125  -0.630   8.764 -12.358
  985   1HZ   LYS 125           HZ1      LYS 125  -2.559   9.365 -14.412
  986   2HZ   LYS 125           HZ3      LYS 125  -1.652  10.709 -13.914
  987   3HZ   LYS 125           HZ2      LYS 125  -0.862   9.321 -14.493
  988    H    LEU 126           HN       LEU 126  -5.417   5.607  -8.825
  989    HA   LEU 126           HA       LEU 126  -6.781   3.270  -9.847
  990   1HB   LEU 126           HB2      LEU 126  -7.192   4.646  -7.171
  991   2HB   LEU 126           HB1      LEU 126  -7.718   3.021  -7.600
  992    HG   LEU 126           HG       LEU 126  -5.732   2.201  -6.946
  993   1HD1  LEU 126          HD13      LEU 126  -5.041   2.843  -9.353
  994   2HD1  LEU 126          HD12      LEU 126  -4.189   4.193  -8.605
  995   3HD1  LEU 126          HD11      LEU 126  -3.753   2.536  -8.189
  996   1HD2  LEU 126          HD22      LEU 126  -5.820   4.749  -5.827
  997   2HD2  LEU 126          HD21      LEU 126  -4.743   3.437  -5.348
  998   3HD2  LEU 126          HD23      LEU 126  -4.200   4.641  -6.516
  999    H    LYS 127           HN       LYS 127  -7.606   6.582  -9.442
 1000    HA   LYS 127           HA       LYS 127 -10.439   6.468  -9.319
 1001   1HB   LYS 127           HB2      LYS 127  -8.848   8.407 -11.014
 1002   2HB   LYS 127           HB1      LYS 127 -10.386   8.704 -10.182
 1003   1HG   LYS 127           HG2      LYS 127  -8.831   7.947  -8.091
 1004   2HG   LYS 127           HG1      LYS 127  -7.636   8.721  -9.124
 1005   1HD   LYS 127           HD2      LYS 127 -10.268   9.998  -8.336
 1006   2HD   LYS 127           HD1      LYS 127  -8.729  10.325  -7.540
 1007   1HE   LYS 127           HE2      LYS 127  -8.343  10.579 -10.364
 1008   2HE   LYS 127           HE1      LYS 127  -9.762  11.524  -9.912
 1009   1HZ   LYS 127           HZ2      LYS 127  -7.308  11.674  -8.294
 1010   2HZ   LYS 127           HZ1      LYS 127  -7.437  12.584  -9.724
 1011   3HZ   LYS 127           HZ3      LYS 127  -8.551  12.820  -8.466
 1012    H    ARG 128           HN       ARG 128  -8.134   5.985 -11.855
 1013    HA   ARG 128           HA       ARG 128 -10.188   5.761 -13.949
 1014   1HB   ARG 128           HB2      ARG 128  -7.353   4.978 -14.433
 1015   2HB   ARG 128           HB1      ARG 128  -8.442   5.923 -15.444
 1016   1HG   ARG 128           HG2      ARG 128  -8.024   7.461 -13.104
 1017   2HG   ARG 128           HG1      ARG 128  -6.435   6.859 -13.585
 1018   1HD   ARG 128           HD2      ARG 128  -6.430   8.077 -15.521
 1019   2HD   ARG 128           HD1      ARG 128  -8.158   7.857 -15.784
 1020    HE   ARG 128           HE       ARG 128  -7.991   9.546 -13.572
 1021   1HH1  ARG 128          HH11      ARG 128  -8.320   9.796 -16.841
 1022   2HH1  ARG 128          HH12      ARG 128  -7.652  11.387 -16.995
 1023   1HH2  ARG 128          HH21      ARG 128  -6.470  11.491 -13.735
 1024   2HH2  ARG 128          HH22      ARG 128  -6.606  12.346 -15.237
 1025    H    LEU 129           HN       LEU 129  -8.385   3.773 -11.768
 1026    HA   LEU 129           HA       LEU 129  -8.111   1.309 -12.944
 1027   1HB   LEU 129           HB2      LEU 129  -8.367   2.252 -10.301
 1028   2HB   LEU 129           HB1      LEU 129  -9.485   0.897 -10.444
 1029    HG   LEU 129           HG       LEU 129  -7.681  -0.503 -11.350
 1030   1HD1  LEU 129          HD13      LEU 129  -6.497   1.899 -12.000
 1031   2HD1  LEU 129          HD12      LEU 129  -5.540   1.380 -10.613
 1032   3HD1  LEU 129          HD11      LEU 129  -5.680   0.337 -12.028
 1033   1HD2  LEU 129          HD22      LEU 129  -8.098  -0.059  -8.806
 1034   2HD2  LEU 129          HD21      LEU 129  -6.621  -0.896  -9.286
 1035   3HD2  LEU 129          HD23      LEU 129  -6.572   0.819  -8.879
 1036   3HOG  APC 130           H5T      ATP 130   6.992   3.102  10.482
 1037   1H3A  APC 130           H3P      ATP 130   8.197   2.482   7.033
 1038   2H3A  APC 130          H3P'      ATP 130   7.117   2.989   8.352
 1039   1H5*  APC 130           H5'      ATP 130   8.082   4.415   7.005
 1040   2H5*  APC 130          H5''      ATP 130   9.414   5.578   6.855
 1041    H4*  APC 130           H4'      ATP 130   8.441   6.541   9.100
 1042    H3*  APC 130           H3'      ATP 130   6.379   4.647   8.200
 1043   *HO3  APC 130          H3''      ATP 130   6.646   6.181  10.635
 1044    H2*  APC 130          H2''      ATP 130   4.734   6.089   7.766
 1045   *HO2  APC 130           H2'      ATP 130   4.023   7.382   9.295
 1046    H1*  APC 130           H1'      ATP 130   6.121   8.603   7.933
 1047    H8   APC 130           H8       ATP 130   5.737   5.649   5.442
 1048    H2   APC 130           H2       ATP 130   4.119  11.836   5.530
 1049   1HN6  APC 130           H61      ATP 130   3.152   7.956   2.100
 1050   2HN6  APC 130           H62      ATP 130   2.615   9.613   1.932
 1051   1HN1  CON 131          H1N1      ATP 130  12.232  -0.524  10.188
 1052   2HN1  CON 131          H2N1      ATP 130  11.372  -1.085   9.006
 1053   3HN1  CON 131          H3N1      ATP 130  11.612  -1.955  10.282
 1054   1HN2  CON 131          H1N2      ATP 130   9.982  -0.271  13.418
 1055   2HN2  CON 131          H2N2      ATP 130  10.377  -1.694  12.897
 1056   3HN2  CON 131          H3N2      ATP 130  11.402  -0.515  12.813
 1057   1HN3  CON 131          H1N3      ATP 130  10.534   2.127  10.182
 1058   2HN3  CON 131          H2N3      ATP 130  11.632   1.489  11.088
 1059   3HN3  CON 131          H3N3      ATP 130  10.346   2.106  11.728
 1060   1HN4  CON 131          H1N4      ATP 130   8.930  -2.510   9.845
 1061   2HN4  CON 131          H2N4      ATP 130   9.169  -2.727  11.374
 1062   3HN4  CON 131          H3N4      ATP 130   7.855  -2.039  10.881
 1063   1HO1  MO2 132          H1O1      MG  131  10.174  -3.083   6.818
 1064   2HO1  MO2 132          H2O1      MG  131   9.637  -2.244   7.949
 1065   1HO2  MO2 132          H1O2      MG  131   7.225  -4.891   9.424
 1066   2HO2  MO2 132          H2O2      MG  131   7.388  -3.417   9.718
   
  No H/Q in entry =        1066
  Start of MODEL    9
    1   1H    MET   1           HT1      MET   1  14.069  17.518   3.343
    2   2H    MET   1           HT3      MET   1  15.393  18.574   3.433
    3   3H    MET   1           HT2      MET   1  15.599  17.006   2.812
    4    HA   MET   1           HA       MET   1  16.465  17.130   5.053
    5   1HB   MET   1           HB2      MET   1  14.486  18.921   5.506
    6   2HB   MET   1           HB1      MET   1  13.747  17.475   6.196
    7   1HG   MET   1           HG2      MET   1  14.939  18.211   8.035
    8   2HG   MET   1           HG1      MET   1  16.161  17.189   7.278
    9   1HE   MET   1           HE3      MET   1  17.379  18.343   8.932
   10   2HE   MET   1           HE2      MET   1  18.569  19.530   8.407
   11   3HE   MET   1           HE1      MET   1  17.122  20.062   9.261
   12    H    LYS   2           HN       LYS   2  16.772  15.032   5.434
   13    HA   LYS   2           HA       LYS   2  16.440  12.726   5.437
   14   1HB   LYS   2           HB2      LYS   2  14.538  11.998   6.905
   15   2HB   LYS   2           HB1      LYS   2  15.628  13.164   7.634
   16   1HG   LYS   2           HG2      LYS   2  13.431  13.890   8.199
   17   2HG   LYS   2           HG1      LYS   2  13.966  14.974   6.931
   18   1HD   LYS   2           HD2      LYS   2  11.651  14.252   6.530
   19   2HD   LYS   2           HD1      LYS   2  12.694  13.621   5.266
   20   1HE   LYS   2           HE2      LYS   2  11.807  11.601   5.751
   21   2HE   LYS   2           HE1      LYS   2  12.800  11.645   7.207
   22   1HZ   LYS   2           HZ2      LYS   2  10.159  12.953   7.148
   23   2HZ   LYS   2           HZ1      LYS   2  10.293  11.287   7.455
   24   3HZ   LYS   2           HZ3      LYS   2  11.047  12.401   8.487
   25    H    LYS   3           HN       LYS   3  14.919  10.885   4.912
   26    HA   LYS   3           HA       LYS   3  12.653  11.487   3.184
   27   1HB   LYS   3           HB2      LYS   3  14.331  11.962   1.544
   28   2HB   LYS   3           HB1      LYS   3  15.276  10.545   2.007
   29   1HG   LYS   3           HG2      LYS   3  13.571   9.053   1.170
   30   2HG   LYS   3           HG1      LYS   3  12.470  10.402   0.880
   31   1HD   LYS   3           HD2      LYS   3  13.309  10.431  -1.214
   32   2HD   LYS   3           HD1      LYS   3  14.744  11.161  -0.491
   33   1HE   LYS   3           HE2      LYS   3  15.106   8.463   0.010
   34   2HE   LYS   3           HE1      LYS   3  14.383   8.471  -1.598
   35   1HZ   LYS   3           HZ3      LYS   3  16.131  10.438  -1.866
   36   2HZ   LYS   3           HZ2      LYS   3  16.955   9.502  -0.711
   37   3HZ   LYS   3           HZ1      LYS   3  16.513   8.821  -2.202
   38    H    LEU   4           HN       LEU   4  11.604   9.484   2.431
   39    HA   LEU   4           HA       LEU   4  12.659   6.922   3.322
   40   1HB   LEU   4           HB2      LEU   4  11.384   6.504   5.177
   41   2HB   LEU   4           HB1      LEU   4  11.428   8.256   5.326
   42    HG   LEU   4           HG       LEU   4   9.260   7.832   3.640
   43   1HD1  LEU   4          HD12      LEU   4   9.707   5.481   5.385
   44   2HD1  LEU   4          HD11      LEU   4   8.068   6.124   5.343
   45   3HD1  LEU   4          HD13      LEU   4   8.845   5.598   3.852
   46   1HD2  LEU   4          HD21      LEU   4   9.523   8.239   6.602
   47   2HD2  LEU   4          HD23      LEU   4   9.211   9.446   5.355
   48   3HD2  LEU   4          HD22      LEU   4   7.964   8.274   5.774
   49    H    GLN   5           HN       GLN   5  11.203   5.141   2.655
   50    HA   GLN   5           HA       GLN   5   9.152   6.030   0.683
   51   1HB   GLN   5           HB2      GLN   5  11.153   3.792   0.252
   52   2HB   GLN   5           HB1      GLN   5   9.904   4.316  -0.883
   53   1HG   GLN   5           HG2      GLN   5  11.463   5.730  -1.720
   54   2HG   GLN   5           HG1      GLN   5  11.179   6.684  -0.254
   55   1HE2  GLN   5          HE22      GLN   5  14.847   5.904  -0.469
   56   2HE2  GLN   5          HE21      GLN   5  13.747   6.712  -1.478
   57    H    ILE   6           HN       ILE   6   7.787   3.992   0.060
   58    HA   ILE   6           HA       ILE   6   7.561   2.167   2.383
   59    HB   ILE   6           HB       ILE   6   5.536   4.151   1.426
   60   1HG1  ILE   6          HG12      ILE   6   7.061   3.564   3.784
   61   2HG1  ILE   6          HG11      ILE   6   6.026   4.945   3.450
   62   1HG2  ILE   6          HG22      ILE   6   4.879   1.486   2.722
   63   2HG2  ILE   6          HG21      ILE   6   3.741   2.817   2.510
   64   3HG2  ILE   6          HG23      ILE   6   4.407   1.993   1.100
   65   1HD1  ILE   6          HD11      ILE   6   4.932   2.276   4.395
   66   2HD1  ILE   6          HD13      ILE   6   5.397   3.554   5.512
   67   3HD1  ILE   6          HD12      ILE   6   4.095   3.827   4.357
   68    H    ALA   7           HN       ALA   7   7.643   0.194   1.544
   69    HA   ALA   7           HA       ALA   7   6.963  -0.294  -1.261
   70   1HB   ALA   7           HB3      ALA   7   8.544  -1.560   0.763
   71   2HB   ALA   7           HB2      ALA   7   7.351  -2.723   0.185
   72   3HB   ALA   7           HB1      ALA   7   8.455  -1.952  -0.953
   73    H    VAL   8           HN       VAL   8   4.653   0.495  -0.630
   74    HA   VAL   8           HA       VAL   8   3.052  -1.447   0.840
   75    HB   VAL   8           HB       VAL   8   2.125   0.685   1.071
   76   1HG1  VAL   8          HG13      VAL   8   3.258   1.098  -1.596
   77   2HG1  VAL   8          HG12      VAL   8   1.686   1.860  -1.387
   78   3HG1  VAL   8          HG11      VAL   8   3.006   2.247  -0.287
   79   1HG2  VAL   8          HG22      VAL   8   0.588  -1.180  -0.174
   80   2HG2  VAL   8          HG21      VAL   8  -0.023   0.396   0.325
   81   3HG2  VAL   8          HG23      VAL   8   0.481   0.134  -1.344
   82    H    GLY   9           HN       GLY   9   2.385  -0.231  -2.457
   83   1HA   GLY   9           HA2      GLY   9   1.752  -1.460  -4.352
   84   2HA   GLY   9           HA1      GLY   9   2.636  -2.825  -3.651
   85    H    ILE  10           HN       ILE  10  -0.354  -1.019  -3.477
   86    HA   ILE  10           HA       ILE  10  -1.802  -2.557  -1.661
   87    HB   ILE  10           HB       ILE  10  -3.408  -1.930  -4.049
   88   1HG1  ILE  10          HG12      ILE  10  -1.809   0.239  -2.649
   89   2HG1  ILE  10          HG11      ILE  10  -1.718  -0.187  -4.360
   90   1HG2  ILE  10          HG21      ILE  10  -4.278  -2.389  -1.749
   91   2HG2  ILE  10          HG23      ILE  10  -3.471  -0.928  -1.181
   92   3HG2  ILE  10          HG22      ILE  10  -4.781  -0.811  -2.357
   93   1HD1  ILE  10          HD11      ILE  10  -4.465   0.327  -3.629
   94   2HD1  ILE  10          HD13      ILE  10  -3.459   1.691  -3.144
   95   3HD1  ILE  10          HD12      ILE  10  -3.467   1.156  -4.824
   96    H    ILE  11           HN       ILE  11  -3.553  -4.241  -2.279
   97    HA   ILE  11           HA       ILE  11  -2.535  -5.991  -4.459
   98    HB   ILE  11           HB       ILE  11  -2.782  -7.914  -2.752
   99   1HG1  ILE  11          HG12      ILE  11  -2.717  -5.480  -0.932
  100   2HG1  ILE  11          HG11      ILE  11  -4.008  -6.680  -1.039
  101   1HG2  ILE  11          HG21      ILE  11  -0.652  -6.363  -3.508
  102   2HG2  ILE  11          HG23      ILE  11  -0.604  -6.161  -1.760
  103   3HG2  ILE  11          HG22      ILE  11  -0.507  -7.774  -2.463
  104   1HD1  ILE  11          HD13      ILE  11  -1.340  -7.823  -0.516
  105   2HD1  ILE  11          HD12      ILE  11  -1.957  -6.791   0.773
  106   3HD1  ILE  11          HD11      ILE  11  -2.891  -8.189   0.240
  107    H    ARG  12           HN       ARG  12  -4.417  -5.633  -5.670
  108    HA   ARG  12           HA       ARG  12  -7.025  -6.296  -4.423
  109   1HB   ARG  12           HB2      ARG  12  -7.408  -5.702  -7.176
  110   2HB   ARG  12           HB1      ARG  12  -7.855  -4.701  -5.799
  111   1HG   ARG  12           HG2      ARG  12  -5.216  -4.125  -5.945
  112   2HG   ARG  12           HG1      ARG  12  -5.535  -4.488  -7.636
  113   1HD   ARG  12           HD2      ARG  12  -6.708  -2.550  -7.920
  114   2HD   ARG  12           HD1      ARG  12  -7.554  -2.744  -6.378
  115    HE   ARG  12           HE       ARG  12  -5.040  -2.099  -5.547
  116   1HH1  ARG  12          HH21      ARG  12  -7.664  -0.643  -7.122
  117   2HH1  ARG  12          HH22      ARG  12  -6.916   0.909  -7.279
  118   1HH2  ARG  12          HH11      ARG  12  -3.847  -0.181  -6.051
  119   2HH2  ARG  12          HH12      ARG  12  -4.725   1.167  -6.670
  120    H    ASN  13           HN       ASN  13  -8.357  -8.087  -5.412
  121    HA   ASN  13           HA       ASN  13  -6.951  -9.678  -7.433
  122   1HB   ASN  13           HB2      ASN  13  -6.363 -11.534  -6.103
  123   2HB   ASN  13           HB1      ASN  13  -5.838 -10.111  -5.198
  124   1HD2  ASN  13          HD22      ASN  13  -8.738 -10.423  -2.918
  125   2HD2  ASN  13          HD21      ASN  13  -8.072  -9.218  -3.909
  126    H    GLU  14           HN       GLU  14 -10.003  -9.130  -5.813
  127    HA   GLU  14           HA       GLU  14 -10.983 -11.739  -6.892
  128   1HB   GLU  14           HB2      GLU  14 -11.777 -10.098  -4.715
  129   2HB   GLU  14           HB1      GLU  14 -13.110 -10.079  -5.872
  130   1HG   GLU  14           HG2      GLU  14 -13.412 -12.396  -5.765
  131   2HG   GLU  14           HG1      GLU  14 -11.772 -12.680  -5.181
  132    H    ASN  15           HN       ASN  15 -11.105  -8.390  -7.389
  133    HA   ASN  15           HA       ASN  15 -11.875  -8.563 -10.179
  134   1HB   ASN  15           HB2      ASN  15 -14.159  -8.567  -9.387
  135   2HB   ASN  15           HB1      ASN  15 -13.780  -7.434  -8.091
  136   1HD2  ASN  15          HD22      ASN  15 -13.458  -5.603 -11.724
  137   2HD2  ASN  15          HD21      ASN  15 -12.501  -6.955 -11.354
  138    H    ASN  16           HN       ASN  16 -11.796  -6.756  -7.266
  139    HA   ASN  16           HA       ASN  16  -9.461  -5.228  -7.910
  140   1HB   ASN  16           HB2      ASN  16 -11.716  -4.051  -8.879
  141   2HB   ASN  16           HB1      ASN  16 -11.781  -3.484  -7.211
  142   1HD2  ASN  16          HD22      ASN  16  -9.563  -0.895  -8.121
  143   2HD2  ASN  16          HD21      ASN  16 -11.060  -1.322  -7.444
  144    H    GLU  17           HN       GLU  17 -10.300  -7.272  -6.013
  145    HA   GLU  17           HA       GLU  17 -11.095  -5.781  -3.591
  146   1HB   GLU  17           HB2      GLU  17 -10.572  -8.685  -4.154
  147   2HB   GLU  17           HB1      GLU  17 -10.773  -8.094  -2.506
  148   1HG   GLU  17           HG2      GLU  17 -12.890  -8.915  -3.765
  149   2HG   GLU  17           HG1      GLU  17 -12.986  -7.402  -2.879
  150    H    ILE  18           HN       ILE  18  -9.448  -4.417  -3.109
  151    HA   ILE  18           HA       ILE  18  -6.689  -5.309  -2.914
  152    HB   ILE  18           HB       ILE  18  -6.524  -2.977  -1.695
  153   1HG1  ILE  18          HG12      ILE  18  -9.082  -2.606  -3.268
  154   2HG1  ILE  18          HG11      ILE  18  -9.080  -2.892  -1.527
  155   1HG2  ILE  18          HG21      ILE  18  -6.918  -3.647  -4.581
  156   2HG2  ILE  18          HG23      ILE  18  -6.801  -1.949  -4.126
  157   3HG2  ILE  18          HG22      ILE  18  -5.480  -3.055  -3.755
  158   1HD1  ILE  18          HD12      ILE  18  -7.474  -0.679  -2.825
  159   2HD1  ILE  18          HD11      ILE  18  -9.121  -0.446  -2.237
  160   3HD1  ILE  18          HD13      ILE  18  -7.837  -0.888  -1.112
  161    H    PHE  19           HN       PHE  19  -5.480  -5.612  -1.039
  162    HA   PHE  19           HA       PHE  19  -6.981  -6.434   1.360
  163   1HB   PHE  19           HB2      PHE  19  -4.864  -7.574   0.342
  164   2HB   PHE  19           HB1      PHE  19  -3.971  -6.269   1.123
  165    HD1  PHE  19           HD2      PHE  19  -6.992  -8.221   2.196
  166    HD2  PHE  19           HD1      PHE  19  -2.914  -7.142   3.017
  167    HE1  PHE  19           HE2      PHE  19  -7.096  -9.449   4.349
  168    HE2  PHE  19           HE1      PHE  19  -3.023  -8.375   5.168
  169    HZ   PHE  19           HZ       PHE  19  -5.110  -9.521   5.832
  170    H    ILE  20           HN       ILE  20  -7.297  -3.722   0.784
  171    HA   ILE  20           HA       ILE  20  -5.420  -2.081   2.250
  172    HB   ILE  20           HB       ILE  20  -6.652  -1.256   0.286
  173   1HG1  ILE  20          HG12      ILE  20  -7.948   0.606   1.924
  174   2HG1  ILE  20          HG11      ILE  20  -6.566   0.058   2.855
  175   1HG2  ILE  20          HG21      ILE  20  -8.887  -2.314   1.831
  176   2HG2  ILE  20          HG23      ILE  20  -9.184  -0.673   1.258
  177   3HG2  ILE  20          HG22      ILE  20  -8.793  -1.951   0.108
  178   1HD1  ILE  20          HD13      ILE  20  -5.985   0.527   0.016
  179   2HD1  ILE  20          HD12      ILE  20  -6.457   1.974   0.906
  180   3HD1  ILE  20          HD11      ILE  20  -5.077   1.017   1.446
  181    H    THR  21           HN       THR  21  -5.868  -0.980   4.133
  182    HA   THR  21           HA       THR  21  -7.377  -2.409   6.146
  183    HB   THR  21           HB       THR  21  -5.446  -1.030   6.737
  184    HG1  THR  21           HG1      THR  21  -7.860  -0.862   7.864
  185   1HG2  THR  21          HG23      THR  21  -6.250   0.696   4.866
  186   2HG2  THR  21          HG22      THR  21  -6.957   1.492   6.271
  187   3HG2  THR  21          HG21      THR  21  -5.219   1.193   6.208
  188    H    ARG  22           HN       ARG  22  -9.527  -2.550   5.330
  189    HA   ARG  22           HA       ARG  22 -10.935  -0.023   4.704
  190   1HB   ARG  22           HB2      ARG  22 -11.293  -1.905   3.183
  191   2HB   ARG  22           HB1      ARG  22 -11.785  -2.932   4.530
  192   1HG   ARG  22           HG2      ARG  22 -13.822  -2.195   3.554
  193   2HG   ARG  22           HG1      ARG  22 -13.613  -1.179   4.981
  194   1HD   ARG  22           HD2      ARG  22 -12.420   0.476   3.410
  195   2HD   ARG  22           HD1      ARG  22 -13.113  -0.465   2.091
  196    HE   ARG  22           HE       ARG  22 -15.282   0.093   3.728
  197   1HH1  ARG  22          HH11      ARG  22 -12.992   2.416   3.779
  198   2HH1  ARG  22          HH12      ARG  22 -13.860   3.604   2.866
  199   1HH2  ARG  22          HH21      ARG  22 -16.328   1.395   1.841
  200   2HH2  ARG  22          HH22      ARG  22 -15.749   3.026   1.769
  201    H    ARG  23           HN       ARG  23 -12.546   0.801   6.018
  202    HA   ARG  23           HA       ARG  23 -12.598   0.686   8.724
  203   1HB   ARG  23           HB2      ARG  23 -15.310   0.639   8.347
  204   2HB   ARG  23           HB1      ARG  23 -14.310   2.077   8.142
  205   1HG   ARG  23           HG2      ARG  23 -14.344   1.936   5.825
  206   2HG   ARG  23           HG1      ARG  23 -14.599   0.191   5.832
  207   1HD   ARG  23           HD2      ARG  23 -16.766   1.775   7.069
  208   2HD   ARG  23           HD1      ARG  23 -16.574   2.003   5.334
  209    HE   ARG  23           HE       ARG  23 -16.522  -0.751   5.656
  210   1HH1  ARG  23          HH21      ARG  23 -18.709   1.839   5.586
  211   2HH1  ARG  23          HH22      ARG  23 -20.103   0.884   5.963
  212   1HH2  ARG  23          HH11      ARG  23 -18.285  -2.006   6.580
  213   2HH2  ARG  23          HH12      ARG  23 -19.863  -1.295   6.524
  214    H    ALA  24           HN       ALA  24 -11.973  -1.362   9.533
  215    HA   ALA  24           HA       ALA  24 -12.944  -3.863   8.962
  216   1HB   ALA  24           HB2      ALA  24 -11.240  -3.246  10.754
  217   2HB   ALA  24           HB1      ALA  24 -12.603  -2.922  11.823
  218   3HB   ALA  24           HB3      ALA  24 -12.348  -4.547  11.187
  219    H    ALA  25           HN       ALA  25 -14.416  -1.661  11.375
  220    HA   ALA  25           HA       ALA  25 -16.825  -3.317  11.538
  221   1HB   ALA  25           HB1      ALA  25 -15.766  -0.872  12.873
  222   2HB   ALA  25           HB3      ALA  25 -17.519  -1.026  12.799
  223   3HB   ALA  25           HB2      ALA  25 -16.559  -2.283  13.577
  224    H    ASP  26           HN       ASP  26 -18.825  -1.302  11.556
  225    HA   ASP  26           HA       ASP  26 -19.274  -1.027   8.722
  226   1HB   ASP  26           HB2      ASP  26 -20.695  -0.026  11.185
  227   2HB   ASP  26           HB1      ASP  26 -21.199   0.500   9.577
  228    H    ALA  27           HN       ALA  27 -18.575   1.371  11.285
  229    HA   ALA  27           HA       ALA  27 -17.301   3.361  11.089
  230   1HB   ALA  27           HB1      ALA  27 -16.319   2.067   8.967
  231   2HB   ALA  27           HB3      ALA  27 -17.291   3.252   8.095
  232   3HB   ALA  27           HB2      ALA  27 -16.027   3.790   9.200
  233    H    HIS  28           HN       HIS  28 -20.134   2.674   9.139
  234    HA   HIS  28           HA       HIS  28 -21.822   4.105   8.335
  235   1HB   HIS  28           HB2      HIS  28 -21.252   4.725  11.095
  236   2HB   HIS  28           HB1      HIS  28 -21.696   6.205  10.243
  237    HD1  HIS  28           HD1      HIS  28 -23.183   3.392  11.938
  238    HD2  HIS  28           HD2      HIS  28 -24.205   5.688   8.576
  239    HE1  HIS  28           HE1      HIS  28 -25.663   3.006  11.492
  240    H    MET  29           HN       MET  29 -18.966   4.567   7.595
  241    HA   MET  29           HA       MET  29 -19.334   7.194   6.325
  242   1HB   MET  29           HB2      MET  29 -17.160   6.592   8.344
  243   2HB   MET  29           HB1      MET  29 -16.969   7.847   7.123
  244   1HG   MET  29           HG2      MET  29 -19.300   7.723   9.057
  245   2HG   MET  29           HG1      MET  29 -17.850   8.681   9.339
  246   1HE   MET  29           HE3      MET  29 -20.419   9.782   9.590
  247   2HE   MET  29           HE2      MET  29 -19.312  11.136   9.376
  248   3HE   MET  29           HE1      MET  29 -20.812  11.081   8.453
  249    H    ALA  30           HN       ALA  30 -16.799   7.507   5.300
  250    HA   ALA  30           HA       ALA  30 -15.840   4.921   4.284
  251   1HB   ALA  30           HB1      ALA  30 -17.832   5.989   2.830
  252   2HB   ALA  30           HB3      ALA  30 -16.481   6.894   2.147
  253   3HB   ALA  30           HB2      ALA  30 -16.481   5.130   2.089
  254    H    ASN  31           HN       ASN  31 -14.322   5.972   2.152
  255    HA   ASN  31           HA       ASN  31 -12.422   7.289   1.695
  256   1HB   ASN  31           HB2      ASN  31 -13.932   8.931   3.424
  257   2HB   ASN  31           HB1      ASN  31 -12.298   8.900   4.092
  258   1HD2  ASN  31          HD22      ASN  31 -11.041  11.025   1.589
  259   2HD2  ASN  31          HD21      ASN  31 -10.851  10.344   3.132
  260    H    LYS  32           HN       LYS  32 -12.971   5.268   4.283
  261    HA   LYS  32           HA       LYS  32 -10.366   5.547   5.590
  262   1HB   LYS  32           HB2      LYS  32 -12.615   4.700   6.594
  263   2HB   LYS  32           HB1      LYS  32 -12.178   3.164   5.847
  264   1HG   LYS  32           HG2      LYS  32  -9.915   4.328   7.253
  265   2HG   LYS  32           HG1      LYS  32 -11.294   4.112   8.330
  266   1HD   LYS  32           HD2      LYS  32 -11.474   1.763   7.682
  267   2HD   LYS  32           HD1      LYS  32 -10.159   1.958   6.526
  268   1HE   LYS  32           HE2      LYS  32  -9.610   0.980   8.878
  269   2HE   LYS  32           HE1      LYS  32  -8.542   2.212   8.203
  270   1HZ   LYS  32           HZ1      LYS  32 -10.834   2.869   9.961
  271   2HZ   LYS  32           HZ3      LYS  32  -9.278   2.564  10.565
  272   3HZ   LYS  32           HZ2      LYS  32  -9.538   3.872   9.512
  273    H    LEU  33           HN       LEU  33  -9.674   5.234   3.014
  274    HA   LEU  33           HA       LEU  33  -8.850   2.362   2.834
  275   1HB   LEU  33           HB2      LEU  33  -9.646   4.295   0.633
  276   2HB   LEU  33           HB1      LEU  33  -8.795   2.794   0.303
  277    HG   LEU  33           HG       LEU  33 -11.596   3.201   1.308
  278   1HD1  LEU  33          HD11      LEU  33 -10.243   1.416  -0.733
  279   2HD1  LEU  33          HD13      LEU  33 -11.964   1.349  -0.355
  280   3HD1  LEU  33          HD12      LEU  33 -11.271   2.809  -1.064
  281   1HD2  LEU  33          HD23      LEU  33  -9.738   0.949   1.997
  282   2HD2  LEU  33          HD22      LEU  33 -11.011   1.678   2.968
  283   3HD2  LEU  33          HD21      LEU  33 -11.426   0.579   1.657
  284    H    GLU  34           HN       GLU  34  -6.861   2.934   3.949
  285    HA   GLU  34           HA       GLU  34  -5.164   5.042   2.825
  286   1HB   GLU  34           HB2      GLU  34  -5.367   4.295   5.301
  287   2HB   GLU  34           HB1      GLU  34  -4.270   2.993   4.847
  288   1HG   GLU  34           HG2      GLU  34  -2.952   5.069   3.739
  289   2HG   GLU  34           HG1      GLU  34  -3.763   5.919   5.055
  290    H    PHE  35           HN       PHE  35  -2.958   2.726   3.634
  291    HA   PHE  35           HA       PHE  35  -3.018   1.154   1.185
  292   1HB   PHE  35           HB2      PHE  35  -0.469   2.545   1.180
  293   2HB   PHE  35           HB1      PHE  35  -1.627   2.345  -0.132
  294    HD1  PHE  35           HD2      PHE  35  -0.584   4.479   2.688
  295    HD2  PHE  35           HD1      PHE  35  -3.313   4.034  -0.597
  296    HE1  PHE  35           HE2      PHE  35  -1.236   6.861   2.909
  297    HE2  PHE  35           HE1      PHE  35  -3.967   6.416  -0.377
  298    HZ   PHE  35           HZ       PHE  35  -2.930   7.828   1.376
  299    HA   PRO  36           HA       PRO  36  -0.899  -1.323   4.212
  300   1HB   PRO  36           HB2      PRO  36  -0.399  -3.385   2.345
  301   2HB   PRO  36           HB1      PRO  36  -1.782  -3.256   3.434
  302   1HG   PRO  36           HG2      PRO  36  -1.701  -2.809   0.524
  303   2HG   PRO  36           HG1      PRO  36  -3.102  -3.059   1.577
  304   1HD   PRO  36           HD2      PRO  36  -2.282  -0.601   0.436
  305   2HD   PRO  36           HD1      PRO  36  -3.505  -0.820   1.708
  306    H    GLY  37           HN       GLY  37   1.084  -0.167   4.468
  307   1HA   GLY  37           HA2      GLY  37   3.061  -0.295   2.273
  308   2HA   GLY  37           HA1      GLY  37   3.187   0.708   3.709
  309    H    GLY  38           HN       GLY  38   4.980   0.107   4.726
  310   1HA   GLY  38           HA2      GLY  38   5.484  -1.992   6.325
  311   2HA   GLY  38           HA1      GLY  38   5.875  -2.703   4.760
  312    H    LYS  39           HN       LYS  39   6.608   0.363   4.201
  313    HA   LYS  39           HA       LYS  39   8.481   1.713   4.248
  314   1HB   LYS  39           HB2      LYS  39   8.551   1.520   6.668
  315   2HB   LYS  39           HB1      LYS  39   9.335  -0.056   6.548
  316   1HG   LYS  39           HG2      LYS  39  11.046   1.636   6.960
  317   2HG   LYS  39           HG1      LYS  39  11.226   1.023   5.320
  318   1HD   LYS  39           HD2      LYS  39   9.664   3.005   4.663
  319   2HD   LYS  39           HD1      LYS  39  10.141   3.668   6.214
  320   1HE   LYS  39           HE2      LYS  39  11.950   2.921   3.912
  321   2HE   LYS  39           HE1      LYS  39  11.680   4.529   4.579
  322   1HZ   LYS  39           HZ1      LYS  39  12.466   2.832   6.658
  323   2HZ   LYS  39           HZ3      LYS  39  13.557   2.620   5.378
  324   3HZ   LYS  39           HZ2      LYS  39  13.295   4.171   6.021
  325    H    ILE  40           HN       ILE  40   9.509   1.353   2.362
  326    HA   ILE  40           HA       ILE  40  10.908  -1.196   1.901
  327    HB   ILE  40           HB       ILE  40  10.128  -0.512  -0.138
  328   1HG1  ILE  40          HG12      ILE  40  12.744  -0.549  -0.055
  329   2HG1  ILE  40          HG11      ILE  40  11.945   0.062  -1.503
  330   1HG2  ILE  40          HG21      ILE  40  10.396   2.234   0.999
  331   2HG2  ILE  40          HG23      ILE  40  10.412   2.072  -0.756
  332   3HG2  ILE  40          HG22      ILE  40   9.030   1.491   0.170
  333   1HD1  ILE  40          HD12      ILE  40  12.342   2.146   0.514
  334   2HD1  ILE  40          HD11      ILE  40  13.860   1.411   0.000
  335   3HD1  ILE  40          HD13      ILE  40  12.786   2.141  -1.193
  336    H    GLU  41           HN       GLU  41  13.069  -1.518   2.154
  337    HA   GLU  41           HA       GLU  41  14.998   0.606   2.178
  338   1HB   GLU  41           HB2      GLU  41  15.446   0.885   4.476
  339   2HB   GLU  41           HB1      GLU  41  13.687   0.928   4.366
  340   1HG   GLU  41           HG2      GLU  41  14.033  -1.727   4.697
  341   2HG   GLU  41           HG1      GLU  41  15.457  -1.145   5.562
  342    H    MET  42           HN       MET  42  14.142  -2.712   2.996
  343    HA   MET  42           HA       MET  42  16.717  -3.758   3.519
  344   1HB   MET  42           HB2      MET  42  14.148  -4.849   2.515
  345   2HB   MET  42           HB1      MET  42  15.584  -5.794   2.114
  346   1HG   MET  42           HG2      MET  42  14.806  -6.606   4.235
  347   2HG   MET  42           HG1      MET  42  16.238  -5.631   4.564
  348   1HE   MET  42           HE3      MET  42  14.395  -6.644   6.427
  349   2HE   MET  42           HE2      MET  42  13.683  -5.410   7.462
  350   3HE   MET  42           HE1      MET  42  12.711  -6.152   6.193
  351    H    GLY  43           HN       GLY  43  18.148  -4.966   1.983
  352   1HA   GLY  43           HA2      GLY  43  19.556  -4.802   0.093
  353   2HA   GLY  43           HA1      GLY  43  18.036  -4.908  -0.808
  354    H    GLU  44           HN       GLU  44  17.968  -3.285  -2.254
  355    HA   GLU  44           HA       GLU  44  17.990  -0.538  -1.372
  356   1HB   GLU  44           HB2      GLU  44  19.952  -0.300  -3.348
  357   2HB   GLU  44           HB1      GLU  44  20.196  -0.094  -1.615
  358   1HG   GLU  44           HG2      GLU  44  20.804  -2.432  -1.367
  359   2HG   GLU  44           HG1      GLU  44  20.401  -2.756  -3.054
  360    H    THR  45           HN       THR  45  16.482  -2.612  -2.969
  361    HA   THR  45           HA       THR  45  15.830  -0.827  -5.253
  362    HB   THR  45           HB       THR  45  16.313  -3.819  -5.461
  363    HG1  THR  45           HG1      THR  45  17.759  -1.566  -6.389
  364   1HG2  THR  45          HG21      THR  45  14.488  -2.762  -6.916
  365   2HG2  THR  45          HG23      THR  45  15.784  -1.861  -7.704
  366   3HG2  THR  45          HG22      THR  45  15.767  -3.623  -7.773
  367    HA   PRO  46           HA       PRO  46  11.734  -1.467  -3.762
  368   1HB   PRO  46           HB2      PRO  46  10.757  -1.781  -6.499
  369   2HB   PRO  46           HB1      PRO  46  10.449  -0.477  -5.340
  370   1HG   PRO  46           HG2      PRO  46  12.152  -0.350  -7.623
  371   2HG   PRO  46           HG1      PRO  46  11.995   0.869  -6.351
  372   1HD   PRO  46           HD2      PRO  46  14.239  -0.872  -6.863
  373   2HD   PRO  46           HD1      PRO  46  14.083   0.358  -5.593
  374    H    GLU  47           HN       GLU  47  13.375  -3.748  -5.813
  375    HA   GLU  47           HA       GLU  47  11.268  -5.764  -5.631
  376   1HB   GLU  47           HB2      GLU  47  13.929  -5.540  -6.870
  377   2HB   GLU  47           HB1      GLU  47  13.606  -7.136  -6.188
  378   1HG   GLU  47           HG2      GLU  47  11.655  -7.426  -7.516
  379   2HG   GLU  47           HG1      GLU  47  11.607  -5.720  -7.958
  380    H    GLN  48           HN       GLN  48  14.637  -6.227  -4.540
  381    HA   GLN  48           HA       GLN  48  13.972  -8.017  -2.477
  382   1HB   GLN  48           HB2      GLN  48  16.257  -6.039  -2.700
  383   2HB   GLN  48           HB1      GLN  48  16.098  -7.161  -1.333
  384   1HG   GLN  48           HG2      GLN  48  15.859  -9.009  -3.118
  385   2HG   GLN  48           HG1      GLN  48  16.499  -7.819  -4.252
  386   1HE2  GLN  48          HE22      GLN  48  18.968  -9.411  -1.394
  387   2HE2  GLN  48          HE21      GLN  48  17.288  -9.621  -1.270
  388    H    ALA  49           HN       ALA  49  13.624  -4.590  -2.606
  389    HA   ALA  49           HA       ALA  49  13.450  -4.151   0.237
  390   1HB   ALA  49           HB3      ALA  49  12.820  -2.583  -2.221
  391   2HB   ALA  49           HB2      ALA  49  12.045  -2.088  -0.722
  392   3HB   ALA  49           HB1      ALA  49  13.806  -2.135  -0.829
  393    H    VAL  50           HN       VAL  50  10.868  -3.993  -2.232
  394    HA   VAL  50           HA       VAL  50   8.807  -4.226  -0.240
  395    HB   VAL  50           HB       VAL  50   8.663  -3.220  -2.620
  396   1HG1  VAL  50          HG12      VAL  50   9.412  -5.300  -3.793
  397   2HG1  VAL  50          HG11      VAL  50   7.959  -6.112  -3.219
  398   3HG1  VAL  50          HG13      VAL  50   7.830  -4.755  -4.337
  399   1HG2  VAL  50          HG21      VAL  50   6.783  -4.270  -0.817
  400   2HG2  VAL  50          HG23      VAL  50   6.485  -3.091  -2.094
  401   3HG2  VAL  50          HG22      VAL  50   6.259  -4.810  -2.413
  402    H    VAL  51           HN       VAL  51  10.064  -6.501  -2.615
  403    HA   VAL  51           HA       VAL  51   8.478  -8.726  -2.058
  404    HB   VAL  51           HB       VAL  51  10.386  -8.297  -3.815
  405   1HG1  VAL  51          HG13      VAL  51  12.160  -8.127  -2.089
  406   2HG1  VAL  51          HG12      VAL  51  11.860  -9.806  -1.646
  407   3HG1  VAL  51          HG11      VAL  51  12.477  -9.413  -3.251
  408   1HG2  VAL  51          HG22      VAL  51   9.632 -10.919  -2.539
  409   2HG2  VAL  51          HG21      VAL  51   9.064 -10.232  -4.061
  410   3HG2  VAL  51          HG23      VAL  51  10.707 -10.856  -3.937
  411    H    ARG  52           HN       ARG  52  11.506  -7.729  -0.442
  412    HA   ARG  52           HA       ARG  52  11.474  -9.980   1.385
  413   1HB   ARG  52           HB2      ARG  52  12.982  -7.358   1.389
  414   2HB   ARG  52           HB1      ARG  52  13.226  -8.598   2.598
  415   1HG   ARG  52           HG2      ARG  52  13.308  -9.636  -0.142
  416   2HG   ARG  52           HG1      ARG  52  14.578  -8.461   0.204
  417   1HD   ARG  52           HD2      ARG  52  15.482  -9.753   1.936
  418   2HD   ARG  52           HD1      ARG  52  13.987 -10.656   2.173
  419    HE   ARG  52           HE       ARG  52  14.774 -11.349  -0.392
  420   1HH1  ARG  52          HH11      ARG  52  15.564 -11.954   2.852
  421   2HH1  ARG  52          HH12      ARG  52  16.880 -13.022   2.499
  422   1HH2  ARG  52          HH21      ARG  52  16.763 -12.473  -0.918
  423   2HH2  ARG  52          HH22      ARG  52  17.558 -13.316   0.369
  424    H    GLU  53           HN       GLU  53  10.438  -6.605   1.490
  425    HA   GLU  53           HA       GLU  53   9.597  -6.599   4.244
  426   1HB   GLU  53           HB2      GLU  53   8.574  -4.958   1.911
  427   2HB   GLU  53           HB1      GLU  53   8.294  -4.606   3.617
  428   1HG   GLU  53           HG2      GLU  53  11.122  -5.011   2.911
  429   2HG   GLU  53           HG1      GLU  53  10.376  -3.602   2.147
  430    H    LEU  54           HN       LEU  54   8.439  -8.050   1.412
  431    HA   LEU  54           HA       LEU  54   5.625  -8.165   2.158
  432   1HB   LEU  54           HB2      LEU  54   7.341  -8.936  -0.102
  433   2HB   LEU  54           HB1      LEU  54   6.125 -10.146   0.248
  434    HG   LEU  54           HG       LEU  54   5.095  -8.676  -1.324
  435   1HD1  LEU  54          HD11      LEU  54   3.899  -9.125   0.975
  436   2HD1  LEU  54          HD13      LEU  54   4.133  -7.396   1.214
  437   3HD1  LEU  54          HD12      LEU  54   3.204  -7.979  -0.168
  438   1HD2  LEU  54          HD21      LEU  54   6.334  -6.495   0.375
  439   2HD2  LEU  54          HD23      LEU  54   6.595  -6.822  -1.339
  440   3HD2  LEU  54          HD22      LEU  54   5.056  -6.160  -0.792
  441    H    GLN  55           HN       GLN  55   8.137 -10.671   1.712
  442    HA   GLN  55           HA       GLN  55   6.707 -12.719   3.080
  443   1HB   GLN  55           HB2      GLN  55   9.165 -13.611   3.461
  444   2HB   GLN  55           HB1      GLN  55   8.470 -13.578   1.843
  445   1HG   GLN  55           HG2      GLN  55   9.981 -12.065   1.124
  446   2HG   GLN  55           HG1      GLN  55   9.739 -11.033   2.536
  447   1HE2  GLN  55          HE22      GLN  55  12.349 -12.654   4.442
  448   2HE2  GLN  55          HE21      GLN  55  10.840 -11.897   4.624
  449    H    GLU  56           HN       GLU  56   9.397 -10.679   4.310
  450    HA   GLU  56           HA       GLU  56   9.499 -11.577   6.931
  451   1HB   GLU  56           HB2      GLU  56  10.147  -9.241   7.572
  452   2HB   GLU  56           HB1      GLU  56  11.016  -9.840   6.162
  453   1HG   GLU  56           HG2      GLU  56  10.384  -7.856   5.263
  454   2HG   GLU  56           HG1      GLU  56   8.872  -8.704   4.946
  455    H    GLU  57           HN       GLU  57   6.909  -9.820   5.398
  456    HA   GLU  57           HA       GLU  57   5.666  -9.042   7.924
  457   1HB   GLU  57           HB2      GLU  57   5.119  -8.670   5.044
  458   2HB   GLU  57           HB1      GLU  57   3.676  -8.828   6.051
  459   1HG   GLU  57           HG2      GLU  57   4.047  -6.853   7.119
  460   2HG   GLU  57           HG1      GLU  57   5.783  -7.129   7.188
  461    H    VAL  58           HN       VAL  58   3.682 -10.595   5.522
  462    HA   VAL  58           HA       VAL  58   2.639 -12.426   7.531
  463    HB   VAL  58           HB       VAL  58   2.031 -12.147   4.588
  464   1HG1  VAL  58          HG12      VAL  58   1.295 -14.169   6.321
  465   2HG1  VAL  58          HG11      VAL  58  -0.073 -13.059   6.389
  466   3HG1  VAL  58          HG13      VAL  58   0.445 -13.724   4.841
  467   1HG2  VAL  58          HG23      VAL  58   1.037 -10.788   7.082
  468   2HG2  VAL  58          HG22      VAL  58   1.536 -10.059   5.556
  469   3HG2  VAL  58          HG21      VAL  58  -0.001 -10.920   5.663
  470    H    GLY  59           HN       GLY  59   3.502 -13.315   4.161
  471   1HA   GLY  59           HA2      GLY  59   5.706 -14.800   4.276
  472   2HA   GLY  59           HA1      GLY  59   4.676 -15.797   5.293
  473    H    ILE  60           HN       ILE  60   3.236 -14.154   2.516
  474    HA   ILE  60           HA       ILE  60   2.671 -16.817   1.364
  475    HB   ILE  60           HB       ILE  60   1.256 -15.633  -0.241
  476   1HG1  ILE  60          HG12      ILE  60   1.414 -12.965   0.742
  477   2HG1  ILE  60          HG11      ILE  60   3.051 -13.510   0.372
  478   1HG2  ILE  60          HG21      ILE  60   1.040 -15.259   2.659
  479   2HG2  ILE  60          HG23      ILE  60   0.164 -14.033   1.745
  480   3HG2  ILE  60          HG22      ILE  60  -0.196 -15.740   1.495
  481   1HD1  ILE  60          HD12      ILE  60   1.286 -14.396  -1.710
  482   2HD1  ILE  60          HD11      ILE  60   1.056 -12.665  -1.464
  483   3HD1  ILE  60          HD13      ILE  60   2.659 -13.299  -1.833
  484    H    THR  61           HN       THR  61   2.772 -15.571  -1.479
  485    HA   THR  61           HA       THR  61   5.615 -14.990  -1.809
  486    HB   THR  61           HB       THR  61   4.558 -17.744  -2.253
  487    HG1  THR  61           HG1      THR  61   6.970 -16.533  -1.422
  488   1HG2  THR  61          HG22      THR  61   6.732 -16.466  -3.945
  489   2HG2  THR  61          HG21      THR  61   6.396 -18.197  -3.876
  490   3HG2  THR  61          HG23      THR  61   5.190 -17.091  -4.533
  491    HA   PRO  62           HA       PRO  62   3.781 -15.504  -6.305
  492   1HB   PRO  62           HB2      PRO  62   0.894 -15.570  -5.814
  493   2HB   PRO  62           HB1      PRO  62   1.892 -16.624  -6.818
  494   1HG   PRO  62           HG2      PRO  62   0.802 -17.206  -4.256
  495   2HG   PRO  62           HG1      PRO  62   1.899 -18.218  -5.201
  496   1HD   PRO  62           HD2      PRO  62   2.483 -16.825  -2.769
  497   2HD   PRO  62           HD1      PRO  62   3.610 -17.753  -3.775
  498    H    GLN  63           HN       GLN  63   0.815 -14.044  -5.250
  499    HA   GLN  63           HA       GLN  63   0.035 -11.881  -5.429
  500   1HB   GLN  63           HB2      GLN  63   1.218 -10.233  -4.189
  501   2HB   GLN  63           HB1      GLN  63   1.586 -11.764  -3.406
  502   1HG   GLN  63           HG2      GLN  63   3.782 -11.719  -4.046
  503   2HG   GLN  63           HG1      GLN  63   3.440 -10.899  -5.567
  504   1HE2  GLN  63          HE22      GLN  63   5.111  -8.445  -3.281
  505   2HE2  GLN  63          HE21      GLN  63   5.549  -9.948  -3.938
  506    H    HIS  64           HN       HIS  64   2.155 -13.032  -7.634
  507    HA   HIS  64           HA       HIS  64   3.384 -11.992  -9.444
  508   1HB   HIS  64           HB2      HIS  64   0.911 -12.681  -9.957
  509   2HB   HIS  64           HB1      HIS  64   0.638 -10.943 -10.055
  510    HD1  HIS  64           HD1      HIS  64   0.347 -12.593 -12.620
  511    HD2  HIS  64           HD2      HIS  64   3.957 -10.830 -11.402
  512    HE1  HIS  64           HE1      HIS  64   1.788 -12.321 -14.705
  513    H    PHE  65           HN       PHE  65   3.930 -10.304  -7.427
  514    HA   PHE  65           HA       PHE  65   3.067  -7.769  -7.155
  515   1HB   PHE  65           HB2      PHE  65   5.605  -7.109  -7.174
  516   2HB   PHE  65           HB1      PHE  65   4.981  -8.237  -5.967
  517    HD1  PHE  65           HD1      PHE  65   6.416  -8.227  -9.441
  518    HD2  PHE  65           HD2      PHE  65   6.034 -10.305  -5.700
  519    HE1  PHE  65           HE1      PHE  65   7.971  -9.980 -10.254
  520    HE2  PHE  65           HE2      PHE  65   7.591 -12.056  -6.515
  521    HZ   PHE  65           HZ       PHE  65   8.559 -11.893  -8.791
  522    H    SER  66           HN       SER  66   3.024  -5.854  -8.201
  523    HA   SER  66           HA       SER  66   4.293  -5.556 -10.861
  524   1HB   SER  66           HB2      SER  66   1.537  -6.165 -10.575
  525   2HB   SER  66           HB1      SER  66   1.622  -4.445 -10.945
  526    HG   SER  66           HG       SER  66   3.280  -5.329 -12.584
  527    H    LEU  67           HN       LEU  67   4.698  -3.295 -11.308
  528    HA   LEU  67           HA       LEU  67   4.762  -1.654  -8.908
  529   1HB   LEU  67           HB2      LEU  67   6.373  -1.730 -11.048
  530   2HB   LEU  67           HB1      LEU  67   5.294  -0.455 -11.592
  531    HG   LEU  67           HG       LEU  67   7.455  -0.316  -9.665
  532   1HD1  LEU  67          HD11      LEU  67   5.871   1.374 -11.442
  533   2HD1  LEU  67          HD13      LEU  67   6.316   2.199  -9.948
  534   3HD1  LEU  67          HD12      LEU  67   7.569   1.508 -10.979
  535   1HD2  LEU  67          HD21      LEU  67   4.694   0.462  -8.685
  536   2HD2  LEU  67          HD23      LEU  67   5.901  -0.521  -7.857
  537   3HD2  LEU  67          HD22      LEU  67   6.163   1.211  -8.057
  538    H    PHE  68           HN       PHE  68   3.414  -0.921 -12.121
  539    HA   PHE  68           HA       PHE  68   1.350   0.001 -12.725
  540   1HB   PHE  68           HB2      PHE  68  -0.249  -0.654 -11.285
  541   2HB   PHE  68           HB1      PHE  68   0.876  -0.725  -9.949
  542    HD1  PHE  68           HD2      PHE  68  -1.397   1.483 -11.867
  543    HD2  PHE  68           HD1      PHE  68   1.017   1.075  -8.336
  544    HE1  PHE  68           HE2      PHE  68  -2.431   3.530 -10.925
  545    HE2  PHE  68           HE1      PHE  68  -0.019   3.123  -7.394
  546    HZ   PHE  68           HZ       PHE  68  -1.742   4.349  -8.688
  547    H    GLU  69           HN       GLU  69   2.852   1.554  -9.870
  548    HA   GLU  69           HA       GLU  69   3.934   3.764 -11.103
  549   1HB   GLU  69           HB2      GLU  69   1.057   3.895 -11.262
  550   2HB   GLU  69           HB1      GLU  69   1.658   5.219 -10.262
  551   1HG   GLU  69           HG2      GLU  69   2.729   6.226 -12.009
  552   2HG   GLU  69           HG1      GLU  69   3.211   4.689 -12.729
  553    H    LYS  70           HN       LYS  70   3.841   5.814  -9.530
  554    HA   LYS  70           HA       LYS  70   3.356   5.120  -6.733
  555   1HB   LYS  70           HB2      LYS  70   5.771   5.403  -6.103
  556   2HB   LYS  70           HB1      LYS  70   5.458   3.951  -7.051
  557   1HG   LYS  70           HG2      LYS  70   6.432   4.836  -8.979
  558   2HG   LYS  70           HG1      LYS  70   6.199   6.503  -8.450
  559   1HD   LYS  70           HD2      LYS  70   8.079   4.560  -7.087
  560   2HD   LYS  70           HD1      LYS  70   8.590   5.711  -8.323
  561   1HE   LYS  70           HE2      LYS  70   7.592   7.544  -6.889
  562   2HE   LYS  70           HE1      LYS  70   7.380   6.339  -5.619
  563   1HZ   LYS  70           HZ1      LYS  70  10.011   6.577  -6.881
  564   2HZ   LYS  70           HZ3      LYS  70   9.547   7.775  -5.775
  565   3HZ   LYS  70           HZ2      LYS  70   9.608   6.149  -5.287
  566    H    LEU  71           HN       LEU  71   4.197   6.999  -5.296
  567    HA   LEU  71           HA       LEU  71   4.329   9.538  -6.847
  568   1HB   LEU  71           HB2      LEU  71   2.806  10.547  -5.049
  569   2HB   LEU  71           HB1      LEU  71   2.035   9.500  -6.236
  570    HG   LEU  71           HG       LEU  71   2.015   7.643  -4.668
  571   1HD1  LEU  71          HD11      LEU  71   3.687   9.506  -2.988
  572   2HD1  LEU  71          HD13      LEU  71   2.757   8.205  -2.245
  573   3HD1  LEU  71          HD12      LEU  71   4.014   7.828  -3.424
  574   1HD2  LEU  71          HD22      LEU  71   0.613  10.063  -4.329
  575   2HD2  LEU  71          HD21      LEU  71   0.142   8.475  -3.724
  576   3HD2  LEU  71          HD23      LEU  71   1.086   9.563  -2.705
  577    H    GLU  72           HN       GLU  72   4.889  11.400  -5.289
  578    HA   GLU  72           HA       GLU  72   6.433  10.581  -2.917
  579   1HB   GLU  72           HB2      GLU  72   7.817  10.702  -5.268
  580   2HB   GLU  72           HB1      GLU  72   7.962  12.371  -4.714
  581   1HG   GLU  72           HG2      GLU  72   9.044  11.746  -2.716
  582   2HG   GLU  72           HG1      GLU  72   8.484  10.077  -2.825
  583    H    TYR  73           HN       TYR  73   5.020  11.866  -1.708
  584    HA   TYR  73           HA       TYR  73   4.472  14.626  -2.497
  585   1HB   TYR  73           HB2      TYR  73   3.278  12.752  -0.752
  586   2HB   TYR  73           HB1      TYR  73   3.875  14.053   0.279
  587    HD1  TYR  73           HD2      TYR  73   3.571  16.491  -1.035
  588    HD2  TYR  73           HD1      TYR  73   1.062  13.022  -1.382
  589    HE1  TYR  73           HE2      TYR  73   1.683  17.926  -1.756
  590    HE2  TYR  73           HE1      TYR  73  -0.826  14.458  -2.103
  591    HH   TYR  73           HH       TYR  73  -1.498  16.888  -1.815
  592    H    GLU  74           HN       GLU  74   5.878  16.266  -2.086
  593    HA   GLU  74           HA       GLU  74   8.056  15.728  -0.164
  594   1HB   GLU  74           HB2      GLU  74   8.286  16.715  -2.615
  595   2HB   GLU  74           HB1      GLU  74   7.922  18.238  -1.801
  596   1HG   GLU  74           HG2      GLU  74   9.775  17.831  -0.214
  597   2HG   GLU  74           HG1      GLU  74  10.147  16.320  -1.045
  598    H    PHE  75           HN       PHE  75   8.051  16.654   1.813
  599    HA   PHE  75           HA       PHE  75   6.023  18.776   2.333
  600   1HB   PHE  75           HB2      PHE  75   7.227  16.571   3.953
  601   2HB   PHE  75           HB1      PHE  75   6.731  18.024   4.805
  602    HD1  PHE  75           HD2      PHE  75   5.425  15.833   2.049
  603    HD2  PHE  75           HD1      PHE  75   4.554  18.013   5.646
  604    HE1  PHE  75           HE2      PHE  75   3.068  15.073   1.938
  605    HE2  PHE  75           HE1      PHE  75   2.196  17.252   5.536
  606    HZ   PHE  75           HZ       PHE  75   1.452  15.783   3.680
  607    HA   PRO  76           HA       PRO  76   8.845  21.973   3.338
  608   1HB   PRO  76           HB2      PRO  76   8.342  21.920   6.214
  609   2HB   PRO  76           HB1      PRO  76   7.896  23.163   5.035
  610   1HG   PRO  76           HG2      PRO  76   6.162  21.240   6.271
  611   2HG   PRO  76           HG1      PRO  76   5.737  22.418   5.018
  612   1HD   PRO  76           HD2      PRO  76   5.914  19.581   4.736
  613   2HD   PRO  76           HD1      PRO  76   5.624  20.766   3.452
  614    H    ASP  77           HN       ASP  77   8.849  19.085   5.310
  615    HA   ASP  77           HA       ASP  77  11.752  18.871   5.158
  616   1HB   ASP  77           HB2      ASP  77  10.397  19.822   7.636
  617   2HB   ASP  77           HB1      ASP  77  11.625  18.574   7.844
  618    H    ARG  78           HN       ARG  78   9.309  17.419   4.425
  619    HA   ARG  78           HA       ARG  78   9.919  14.853   5.807
  620   1HB   ARG  78           HB2      ARG  78   7.586  16.400   6.206
  621   2HB   ARG  78           HB1      ARG  78   7.107  15.053   5.168
  622   1HG   ARG  78           HG2      ARG  78   6.886  14.429   7.536
  623   2HG   ARG  78           HG1      ARG  78   8.140  13.462   6.760
  624   1HD   ARG  78           HD2      ARG  78   9.859  15.030   7.644
  625   2HD   ARG  78           HD1      ARG  78   8.587  15.924   8.472
  626    HE   ARG  78           HE       ARG  78   9.823  13.821   9.685
  627   1HH1  ARG  78          HH11      ARG  78   7.798  12.131   8.119
  628   2HH1  ARG  78          HH12      ARG  78   6.545  11.951   9.301
  629   1HH2  ARG  78          HH21      ARG  78   7.722  14.510  11.324
  630   2HH2  ARG  78          HH22      ARG  78   6.502  13.299  11.116
  631    H    HIS  79           HN       HIS  79  11.005  14.183   3.854
  632    HA   HIS  79           HA       HIS  79   9.433  14.149   1.347
  633   1HB   HIS  79           HB2      HIS  79  12.131  14.384   1.856
  634   2HB   HIS  79           HB1      HIS  79  11.986  12.688   1.395
  635    HD1  HIS  79           HD1      HIS  79  13.303  15.009  -0.394
  636    HD2  HIS  79           HD2      HIS  79   9.448  13.410  -0.831
  637    HE1  HIS  79           HE1      HIS  79  12.581  15.440  -2.801
  638    H    ILE  80           HN       ILE  80   7.973  12.495   1.144
  639    HA   ILE  80           HA       ILE  80   8.780   9.836   2.256
  640    HB   ILE  80           HB       ILE  80   6.011  11.033   1.948
  641   1HG1  ILE  80          HG12      ILE  80   5.952  10.719   4.416
  642   2HG1  ILE  80          HG11      ILE  80   7.621  10.154   4.371
  643   1HG2  ILE  80          HG22      ILE  80   6.920   8.263   2.785
  644   2HG2  ILE  80          HG21      ILE  80   5.278   8.871   2.990
  645   3HG2  ILE  80          HG23      ILE  80   5.948   8.670   1.371
  646   1HD1  ILE  80          HD13      ILE  80   7.116  12.751   3.037
  647   2HD1  ILE  80          HD12      ILE  80   6.935  12.748   4.792
  648   3HD1  ILE  80          HD11      ILE  80   8.462  12.255   4.062
  649    H    THR  81           HN       THR  81   8.106   7.979   1.057
  650    HA   THR  81           HA       THR  81   7.265   8.469  -1.759
  651    HB   THR  81           HB       THR  81   9.325   6.369  -1.150
  652    HG1  THR  81           HG1      THR  81  10.022   8.512  -0.396
  653   1HG2  THR  81          HG21      THR  81   8.267   7.852  -3.520
  654   2HG2  THR  81          HG23      THR  81   9.934   7.280  -3.574
  655   3HG2  THR  81          HG22      THR  81   8.616   6.133  -3.338
  656    H    LEU  82           HN       LEU  82   5.772   6.911  -2.438
  657    HA   LEU  82           HA       LEU  82   5.357   4.615  -0.565
  658   1HB   LEU  82           HB2      LEU  82   3.667   6.699  -0.700
  659   2HB   LEU  82           HB1      LEU  82   3.005   5.718  -2.010
  660    HG   LEU  82           HG       LEU  82   3.559   3.952   0.135
  661   1HD1  LEU  82          HD13      LEU  82   2.486   6.619   0.966
  662   2HD1  LEU  82          HD12      LEU  82   1.819   5.174   1.727
  663   3HD1  LEU  82          HD11      LEU  82   3.546   5.515   1.845
  664   1HD2  LEU  82          HD23      LEU  82   0.954   5.146  -0.869
  665   2HD2  LEU  82          HD22      LEU  82   1.755   3.720  -1.526
  666   3HD2  LEU  82          HD21      LEU  82   1.089   3.683   0.106
  667    H    TRP  83           HN       TRP  83   6.759   3.518  -2.228
  668    HA   TRP  83           HA       TRP  83   6.094   3.178  -4.947
  669   1HB   TRP  83           HB2      TRP  83   7.222   1.153  -2.990
  670   2HB   TRP  83           HB1      TRP  83   7.190   0.931  -4.738
  671    HD1  TRP  83           HD1      TRP  83   8.843   2.984  -1.999
  672    HE1  TRP  83           HE1      TRP  83  10.916   4.216  -2.974
  673    HE3  TRP  83           HE3      TRP  83   8.208   1.892  -6.946
  674    HZ2  TRP  83           HZ2      TRP  83  12.102   4.648  -5.550
  675    HZ3  TRP  83           HZ3      TRP  83   9.819   2.723  -8.638
  676    HH2  TRP  83           HH2      TRP  83  11.762   4.097  -7.947
  677    H    PHE  84           HN       PHE  84   4.078   2.697  -5.692
  678    HA   PHE  84           HA       PHE  84   2.275   0.988  -4.109
  679   1HB   PHE  84           HB2      PHE  84   1.985   2.574  -6.662
  680   2HB   PHE  84           HB1      PHE  84   0.761   1.403  -6.175
  681    HD1  PHE  84           HD2      PHE  84   2.454   4.556  -5.216
  682    HD2  PHE  84           HD1      PHE  84  -0.678   1.773  -4.280
  683    HE1  PHE  84           HE2      PHE  84   1.476   6.191  -3.628
  684    HE2  PHE  84           HE1      PHE  84  -1.655   3.406  -2.691
  685    HZ   PHE  84           HZ       PHE  84  -0.578   5.616  -2.365
  686    H    TRP  85           HN       TRP  85   3.844  -0.925  -4.421
  687    HA   TRP  85           HA       TRP  85   4.019  -2.101  -7.080
  688   1HB   TRP  85           HB2      TRP  85   4.783  -2.894  -4.316
  689   2HB   TRP  85           HB1      TRP  85   4.460  -4.213  -5.441
  690    HD1  TRP  85           HD1      TRP  85   6.850  -1.326  -4.801
  691    HE1  TRP  85           HE1      TRP  85   8.918  -1.550  -6.349
  692    HE3  TRP  85           HE3      TRP  85   5.267  -5.177  -7.762
  693    HZ2  TRP  85           HZ2      TRP  85   9.749  -3.178  -8.554
  694    HZ3  TRP  85           HZ3      TRP  85   6.716  -6.041  -9.579
  695    HH2  TRP  85           HH2      TRP  85   8.951  -5.047  -9.978
  696    H    LEU  86           HN       LEU  86   1.748  -2.076  -7.729
  697    HA   LEU  86           HA       LEU  86  -0.257  -3.354  -6.125
  698   1HB   LEU  86           HB2      LEU  86  -0.091  -2.320  -8.906
  699   2HB   LEU  86           HB1      LEU  86  -1.340  -3.525  -8.587
  700    HG   LEU  86           HG       LEU  86  -2.288  -1.335  -8.159
  701   1HD1  LEU  86          HD12      LEU  86  -2.367  -3.396  -6.391
  702   2HD1  LEU  86          HD11      LEU  86  -1.734  -2.119  -5.354
  703   3HD1  LEU  86          HD13      LEU  86  -3.278  -1.904  -6.177
  704   1HD2  LEU  86          HD23      LEU  86   0.214  -0.514  -7.626
  705   2HD2  LEU  86          HD22      LEU  86  -1.202   0.367  -7.053
  706   3HD2  LEU  86          HD21      LEU  86  -0.355  -0.738  -5.972
  707    H    VAL  87           HN       VAL  87  -0.629  -5.429  -5.804
  708    HA   VAL  87           HA       VAL  87   0.627  -7.408  -7.655
  709    HB   VAL  87           HB       VAL  87   1.311  -8.625  -5.854
  710   1HG1  VAL  87          HG13      VAL  87   0.716  -5.950  -4.650
  711   2HG1  VAL  87          HG12      VAL  87   1.341  -7.250  -3.647
  712   3HG1  VAL  87          HG11      VAL  87   2.270  -6.685  -5.033
  713   1HG2  VAL  87          HG22      VAL  87  -1.328  -7.934  -4.546
  714   2HG2  VAL  87          HG21      VAL  87  -0.886  -9.463  -5.301
  715   3HG2  VAL  87          HG23      VAL  87  -0.105  -8.965  -3.802
  716    H    GLU  88           HN       GLU  88  -0.783  -9.564  -7.679
  717    HA   GLU  88           HA       GLU  88  -3.633  -9.077  -7.134
  718   1HB   GLU  88           HB2      GLU  88  -2.543  -9.014  -9.940
  719   2HB   GLU  88           HB1      GLU  88  -4.214  -9.473  -9.615
  720   1HG   GLU  88           HG2      GLU  88  -4.301  -7.286  -8.205
  721   2HG   GLU  88           HG1      GLU  88  -2.858  -6.833  -9.112
  722    H    ARG  89           HN       ARG  89  -1.606 -11.265  -6.570
  723    HA   ARG  89           HA       ARG  89  -3.436 -13.440  -7.176
  724   1HB   ARG  89           HB2      ARG  89  -2.419 -14.448  -8.934
  725   2HB   ARG  89           HB1      ARG  89  -1.630 -12.898  -9.178
  726   1HG   ARG  89           HG2      ARG  89   0.277 -14.129  -9.061
  727   2HG   ARG  89           HG1      ARG  89   0.041 -14.018  -7.324
  728   1HD   ARG  89           HD2      ARG  89  -0.203 -16.338  -9.119
  729   2HD   ARG  89           HD1      ARG  89   0.081 -16.294  -7.380
  730    HE   ARG  89           HE       ARG  89  -2.570 -15.661  -7.517
  731   1HH1  ARG  89          HH11      ARG  89  -0.555 -18.341  -7.952
  732   2HH1  ARG  89          HH12      ARG  89  -1.819 -19.420  -8.438
  733   1HH2  ARG  89          HH21      ARG  89  -4.245 -16.946  -8.570
  734   2HH2  ARG  89          HH22      ARG  89  -3.908 -18.631  -8.788
  735    H    TRP  90           HN       TRP  90  -2.175 -12.189  -4.861
  736    HA   TRP  90           HA       TRP  90  -0.074 -13.643  -3.740
  737   1HB   TRP  90           HB2      TRP  90  -0.836 -12.989  -1.604
  738   2HB   TRP  90           HB1      TRP  90  -1.278 -11.682  -2.694
  739    HD1  TRP  90           HD1      TRP  90  -2.983 -14.948  -1.452
  740    HE1  TRP  90           HE1      TRP  90  -5.467 -14.438  -0.933
  741    HE3  TRP  90           HE3      TRP  90  -3.118  -9.979  -2.679
  742    HZ2  TRP  90           HZ2      TRP  90  -7.238 -12.209  -1.025
  743    HZ3  TRP  90           HZ3      TRP  90  -5.232  -8.695  -2.440
  744    HH2  TRP  90           HH2      TRP  90  -7.285  -9.803  -1.617
  745    H    GLU  91           HN       GLU  91   0.067 -15.554  -2.494
  746    HA   GLU  91           HA       GLU  91  -1.820 -17.642  -3.309
  747   1HB   GLU  91           HB2      GLU  91   0.258 -18.610  -3.240
  748   2HB   GLU  91           HB1      GLU  91   0.842 -17.516  -1.991
  749   1HG   GLU  91           HG2      GLU  91   0.027 -18.846  -0.264
  750   2HG   GLU  91           HG1      GLU  91  -1.241 -19.552  -1.267
  751    H    GLY  92           HN       GLY  92  -3.456 -18.465  -2.088
  752   1HA   GLY  92           HA2      GLY  92  -5.059 -18.508  -0.364
  753   2HA   GLY  92           HA1      GLY  92  -3.646 -18.793   0.651
  754    H    GLU  93           HN       GLU  93  -2.654 -16.964   1.697
  755    HA   GLU  93           HA       GLU  93  -4.569 -14.725   2.109
  756   1HB   GLU  93           HB2      GLU  93  -3.407 -14.349   4.198
  757   2HB   GLU  93           HB1      GLU  93  -3.716 -16.081   4.058
  758   1HG   GLU  93           HG2      GLU  93  -1.389 -16.267   3.015
  759   2HG   GLU  93           HG1      GLU  93  -1.116 -14.619   3.578
  760    HA   PRO  94           HA       PRO  94  -1.869 -11.782   0.221
  761   1HB   PRO  94           HB2      PRO  94  -2.420  -9.604   1.865
  762   2HB   PRO  94           HB1      PRO  94  -3.444 -10.140   0.525
  763   1HG   PRO  94           HG2      PRO  94  -3.920 -10.376   3.422
  764   2HG   PRO  94           HG1      PRO  94  -5.071 -10.535   2.094
  765   1HD   PRO  94           HD2      PRO  94  -3.910 -12.642   3.642
  766   2HD   PRO  94           HD1      PRO  94  -4.960 -12.811   2.219
  767    H    TRP  95           HN       TRP  95  -0.517  -9.641   1.415
  768    HA   TRP  95           HA       TRP  95   0.783 -10.139   3.860
  769   1HB   TRP  95           HB2      TRP  95   2.897 -11.115   3.242
  770   2HB   TRP  95           HB1      TRP  95   1.626 -12.166   2.624
  771    HD1  TRP  95           HD1      TRP  95   1.014  -9.977   0.176
  772    HE1  TRP  95           HE1      TRP  95   2.551 -10.116  -1.903
  773    HE3  TRP  95           HE3      TRP  95   4.977 -12.452   2.232
  774    HZ2  TRP  95           HZ2      TRP  95   5.146 -11.158  -2.562
  775    HZ3  TRP  95           HZ3      TRP  95   6.968 -13.002   0.863
  776    HH2  TRP  95           HH2      TRP  95   7.059 -12.358  -1.531
  777    H    GLY  96           HN       GLY  96  -0.077  -7.951   1.947
  778   1HA   GLY  96           HA2      GLY  96   2.502  -6.553   1.497
  779   2HA   GLY  96           HA1      GLY  96   0.929  -6.014   0.917
  780    H    LYS  97           HN       LYS  97  -0.577  -5.982   3.192
  781    HA   LYS  97           HA       LYS  97  -0.153  -3.542   4.389
  782   1HB   LYS  97           HB2      LYS  97  -1.295  -4.623   6.450
  783   2HB   LYS  97           HB1      LYS  97  -2.178  -4.586   4.922
  784   1HG   LYS  97           HG2      LYS  97  -2.134  -6.833   4.731
  785   2HG   LYS  97           HG1      LYS  97  -0.428  -6.916   5.169
  786   1HD   LYS  97           HD2      LYS  97  -1.176  -6.431   7.565
  787   2HD   LYS  97           HD1      LYS  97  -2.812  -6.786   7.012
  788   1HE   LYS  97           HE2      LYS  97  -1.314  -8.896   5.999
  789   2HE   LYS  97           HE1      LYS  97  -0.609  -8.618   7.592
  790   1HZ   LYS  97           HZ1      LYS  97  -3.534  -8.736   7.225
  791   2HZ   LYS  97           HZ3      LYS  97  -2.625 -10.155   7.414
  792   3HZ   LYS  97           HZ2      LYS  97  -2.628  -8.979   8.640
  793    H    GLU  98           HN       GLU  98   0.888  -2.719   6.148
  794    HA   GLU  98           HA       GLU  98   3.335  -4.097   6.938
  795   1HB   GLU  98           HB2      GLU  98   3.471  -1.723   6.554
  796   2HB   GLU  98           HB1      GLU  98   2.130  -1.421   7.656
  797   1HG   GLU  98           HG2      GLU  98   4.599  -1.067   8.495
  798   2HG   GLU  98           HG1      GLU  98   3.429  -1.833   9.561
  799    H    GLY  99           HN       GLY  99   1.676  -2.240   9.340
  800   1HA   GLY  99           HA2      GLY  99   1.262  -4.709  10.927
  801   2HA   GLY  99           HA1      GLY  99   1.570  -3.121  11.634
  802    H    GLN 100           HN       GLN 100  -0.312  -2.702   8.950
  803    HA   GLN 100           HA       GLN 100  -2.659  -2.003  10.490
  804   1HB   GLN 100           HB2      GLN 100  -3.237  -0.848   8.606
  805   2HB   GLN 100           HB1      GLN 100  -1.565  -1.146   8.144
  806   1HG   GLN 100           HG2      GLN 100  -2.229  -3.119   6.877
  807   2HG   GLN 100           HG1      GLN 100  -3.898  -2.928   7.398
  808   1HE2  GLN 100          HE22      GLN 100  -3.542   0.429   5.437
  809   2HE2  GLN 100          HE21      GLN 100  -3.309   0.180   7.097
  810    HA   PRO 101           HA       PRO 101  -5.115  -5.602  10.058
  811   1HB   PRO 101           HB2      PRO 101  -7.391  -4.536   8.720
  812   2HB   PRO 101           HB1      PRO 101  -7.162  -4.696  10.468
  813   1HG   PRO 101           HG2      PRO 101  -7.182  -2.266   8.902
  814   2HG   PRO 101           HG1      PRO 101  -6.991  -2.433  10.651
  815   1HD   PRO 101           HD2      PRO 101  -4.958  -1.795   8.685
  816   2HD   PRO 101           HD1      PRO 101  -4.794  -1.876  10.446
  817    H    GLY 102           HN       GLY 102  -5.534  -3.644   7.089
  818   1HA   GLY 102           HA2      GLY 102  -5.391  -4.255   4.831
  819   2HA   GLY 102           HA1      GLY 102  -4.342  -5.580   5.357
  820    H    GLU 103           HN       GLU 103  -7.321  -4.899   3.974
  821    HA   GLU 103           HA       GLU 103  -8.150  -7.717   4.446
  822   1HB   GLU 103           HB2      GLU 103 -10.507  -6.912   4.946
  823   2HB   GLU 103           HB1      GLU 103  -9.327  -6.607   6.222
  824   1HG   GLU 103           HG2      GLU 103  -8.978  -4.311   5.097
  825   2HG   GLU 103           HG1      GLU 103 -10.479  -4.645   4.235
  826    H    TRP 104           HN       TRP 104  -9.112  -8.597   2.635
  827    HA   TRP 104           HA       TRP 104  -9.015  -7.349   0.126
  828   1HB   TRP 104           HB2      TRP 104 -11.235  -9.271   0.866
  829   2HB   TRP 104           HB1      TRP 104 -10.432  -9.086  -0.692
  830    HD1  TRP 104           HD1      TRP 104  -7.415  -9.157   0.293
  831    HE1  TRP 104           HE1      TRP 104  -6.367 -11.389   1.136
  832    HE3  TRP 104           HE3      TRP 104 -11.692 -11.682   1.497
  833    HZ2  TRP 104           HZ2      TRP 104  -7.291 -13.884   2.186
  834    HZ3  TRP 104           HZ3      TRP 104 -11.579 -13.979   2.416
  835    HH2  TRP 104           HH2      TRP 104  -9.385 -15.083   2.763
  836    H    MET 105           HN       MET 105 -10.225  -5.700  -0.762
  837    HA   MET 105           HA       MET 105 -12.727  -4.957   0.695
  838   1HB   MET 105           HB2      MET 105 -10.574  -3.398   0.674
  839   2HB   MET 105           HB1      MET 105 -11.219  -2.929  -0.902
  840   1HG   MET 105           HG2      MET 105 -12.843  -2.925   1.659
  841   2HG   MET 105           HG1      MET 105 -12.053  -1.499   0.988
  842   1HE   MET 105           HE1      MET 105 -14.680  -3.465   1.519
  843   2HE   MET 105           HE3      MET 105 -15.889  -2.288   0.982
  844   3HE   MET 105           HE2      MET 105 -15.647  -3.783   0.080
  845    H    SER 106           HN       SER 106 -14.493  -5.282  -0.525
  846    HA   SER 106           HA       SER 106 -14.278  -5.641  -3.415
  847   1HB   SER 106           HB2      SER 106 -16.990  -5.408  -2.731
  848   2HB   SER 106           HB1      SER 106 -16.088  -6.904  -2.939
  849    HG   SER 106           HG       SER 106 -16.289  -7.183  -0.876
  850    H    LEU 107           HN       LEU 107 -13.340  -3.311  -3.486
  851    HA   LEU 107           HA       LEU 107 -15.294  -1.140  -3.244
  852   1HB   LEU 107           HB2      LEU 107 -12.867  -0.792  -2.773
  853   2HB   LEU 107           HB1      LEU 107 -12.516  -1.111  -4.471
  854    HG   LEU 107           HG       LEU 107 -14.483   1.028  -3.649
  855   1HD1  LEU 107          HD12      LEU 107 -11.490   1.058  -3.628
  856   2HD1  LEU 107          HD11      LEU 107 -12.333   2.498  -4.197
  857   3HD1  LEU 107          HD13      LEU 107 -12.625   1.892  -2.566
  858   1HD2  LEU 107          HD21      LEU 107 -12.880   0.347  -6.124
  859   2HD2  LEU 107          HD23      LEU 107 -14.622   0.576  -5.979
  860   3HD2  LEU 107          HD22      LEU 107 -13.548   1.961  -5.879
  861    H    VAL 108           HN       VAL 108 -13.414  -2.565  -5.903
  862    HA   VAL 108           HA       VAL 108 -14.142  -3.063  -8.101
  863    HB   VAL 108           HB       VAL 108 -16.614  -1.431  -7.445
  864   1HG1  VAL 108          HG11      VAL 108 -15.517  -2.296  -9.877
  865   2HG1  VAL 108          HG13      VAL 108 -16.847  -3.400  -9.526
  866   3HG1  VAL 108          HG12      VAL 108 -17.139  -1.662  -9.598
  867   1HG2  VAL 108          HG23      VAL 108 -15.838  -4.021  -6.561
  868   2HG2  VAL 108          HG22      VAL 108 -17.425  -3.267  -6.405
  869   3HG2  VAL 108          HG21      VAL 108 -17.052  -4.255  -7.819
  870    H    GLY 109           HN       GLY 109 -12.778  -1.966  -9.395
  871   1HA   GLY 109           HA2      GLY 109 -11.620  -0.119 -10.314
  872   2HA   GLY 109           HA1      GLY 109 -13.254   0.389 -10.736
  873    H    LEU 110           HN       LEU 110 -10.746   0.630  -8.280
  874    HA   LEU 110           HA       LEU 110 -11.823   2.176  -6.304
  875   1HB   LEU 110           HB2      LEU 110  -9.198   1.875  -7.468
  876   2HB   LEU 110           HB1      LEU 110  -9.484   3.550  -6.942
  877    HG   LEU 110           HG       LEU 110 -10.554   2.073  -4.878
  878   1HD1  LEU 110          HD13      LEU 110  -9.046   0.239  -6.260
  879   2HD1  LEU 110          HD12      LEU 110  -7.886   0.847  -5.080
  880   3HD1  LEU 110          HD11      LEU 110  -9.409   0.143  -4.538
  881   1HD2  LEU 110          HD22      LEU 110  -8.279   3.797  -5.444
  882   2HD2  LEU 110          HD21      LEU 110  -9.296   3.729  -4.007
  883   3HD2  LEU 110          HD23      LEU 110  -7.913   2.644  -4.163
  884    H    ASN 111           HN       ASN 111 -11.769   4.592  -5.956
  885    HA   ASN 111           HA       ASN 111 -12.184   6.165  -8.452
  886   1HB   ASN 111           HB2      ASN 111 -14.326   5.114  -7.257
  887   2HB   ASN 111           HB1      ASN 111 -14.155   6.550  -6.242
  888   1HD2  ASN 111          HD22      ASN 111 -16.187   7.939  -8.885
  889   2HD2  ASN 111          HD21      ASN 111 -16.302   7.136  -7.394
  890    H    ALA 112           HN       ALA 112 -10.680   5.989  -5.502
  891    HA   ALA 112           HA       ALA 112  -9.497   7.608  -4.267
  892   1HB   ALA 112           HB3      ALA 112  -9.170   8.688  -6.540
  893   2HB   ALA 112           HB2      ALA 112 -10.607   9.653  -6.204
  894   3HB   ALA 112           HB1      ALA 112  -9.183   9.806  -5.179
  895    H    ASP 113           HN       ASP 113 -12.796   7.437  -4.681
  896    HA   ASP 113           HA       ASP 113 -13.573   9.708  -3.025
  897   1HB   ASP 113           HB2      ASP 113 -14.850   7.997  -4.823
  898   2HB   ASP 113           HB1      ASP 113 -15.500   7.526  -3.261
  899    H    ASP 114           HN       ASP 114 -12.655   6.403  -2.666
  900    HA   ASP 114           HA       ASP 114 -13.543   6.356   0.174
  901   1HB   ASP 114           HB2      ASP 114 -12.927   4.337  -1.925
  902   2HB   ASP 114           HB1      ASP 114 -12.558   3.888  -0.253
  903    H    PHE 115           HN       PHE 115 -10.796   6.899  -1.767
  904    HA   PHE 115           HA       PHE 115  -8.889   6.056   0.342
  905   1HB   PHE 115           HB2      PHE 115  -8.710   6.787  -2.532
  906   2HB   PHE 115           HB1      PHE 115  -7.332   7.216  -1.521
  907    HD1  PHE 115           HD2      PHE 115  -9.680   4.308  -1.931
  908    HD2  PHE 115           HD1      PHE 115  -5.635   5.643  -1.384
  909    HE1  PHE 115           HE2      PHE 115  -8.892   1.958  -2.008
  910    HE2  PHE 115           HE1      PHE 115  -4.848   3.293  -1.460
  911    HZ   PHE 115           HZ       PHE 115  -6.477   1.450  -1.772
  912    HA   PRO 116           HA       PRO 116  -8.421  10.076   2.057
  913   1HB   PRO 116           HB2      PRO 116  -5.617   9.750   2.530
  914   2HB   PRO 116           HB1      PRO 116  -6.931   9.503   3.680
  915   1HG   PRO 116           HG2      PRO 116  -5.271   7.500   2.438
  916   2HG   PRO 116           HG1      PRO 116  -6.584   7.253   3.598
  917   1HD   PRO 116           HD2      PRO 116  -6.589   6.700   0.761
  918   2HD   PRO 116           HD1      PRO 116  -7.886   6.410   1.938
  919    HA   PRO 117           HA       PRO 117  -6.965  12.454  -1.393
  920   1HB   PRO 117           HB2      PRO 117  -6.582  14.785   0.241
  921   2HB   PRO 117           HB1      PRO 117  -7.932  14.425  -0.842
  922   1HG   PRO 117           HG2      PRO 117  -7.936  14.411   2.043
  923   2HG   PRO 117           HG1      PRO 117  -9.285  14.058   0.956
  924   1HD   PRO 117           HD2      PRO 117  -7.782  12.197   2.569
  925   2HD   PRO 117           HD1      PRO 117  -9.136  11.846   1.475
  926    H    ALA 118           HN       ALA 118  -5.193  12.434   1.680
  927    HA   ALA 118           HA       ALA 118  -2.862  13.789   1.113
  928   1HB   ALA 118           HB3      ALA 118  -3.055  11.047   2.388
  929   2HB   ALA 118           HB2      ALA 118  -1.657  12.119   2.497
  930   3HB   ALA 118           HB1      ALA 118  -3.193  12.594   3.225
  931    H    ASN 119           HN       ASN 119  -3.624  10.479  -0.002
  932    HA   ASN 119           HA       ASN 119  -1.187  10.577  -1.714
  933   1HB   ASN 119           HB2      ASN 119  -2.934   8.400  -0.643
  934   2HB   ASN 119           HB1      ASN 119  -2.137   8.121  -2.191
  935   1HD2  ASN 119          HD22      ASN 119   0.178   8.544   1.183
  936   2HD2  ASN 119          HD21      ASN 119  -1.403   9.161   1.177
  937    H    GLU 120           HN       GLU 120  -2.999  12.350  -2.592
  938    HA   GLU 120           HA       GLU 120  -4.972  11.333  -4.411
  939   1HB   GLU 120           HB2      GLU 120  -3.815  13.927  -3.684
  940   2HB   GLU 120           HB1      GLU 120  -4.372  13.829  -5.356
  941   1HG   GLU 120           HG2      GLU 120  -6.465  12.641  -4.155
  942   2HG   GLU 120           HG1      GLU 120  -5.940  13.675  -2.826
  943    HA   PRO 121           HA       PRO 121  -1.469  12.426  -7.671
  944   1HB   PRO 121           HB2      PRO 121   0.872  11.198  -6.460
  945   2HB   PRO 121           HB1      PRO 121   0.691  12.829  -7.121
  946   1HG   PRO 121           HG2      PRO 121   0.883  12.152  -4.379
  947   2HG   PRO 121           HG1      PRO 121   0.399  13.721  -5.036
  948   1HD   PRO 121           HD2      PRO 121  -1.248  11.707  -3.729
  949   2HD   PRO 121           HD1      PRO 121  -1.686  13.367  -4.180
  950    H    VAL 122           HN       VAL 122  -1.388   9.511  -5.632
  951    HA   VAL 122           HA       VAL 122  -1.063   7.904  -8.117
  952    HB   VAL 122           HB       VAL 122  -0.523   7.456  -5.243
  953   1HG1  VAL 122          HG12      VAL 122  -1.569   5.309  -7.087
  954   2HG1  VAL 122          HG11      VAL 122  -0.510   4.926  -5.730
  955   3HG1  VAL 122          HG13      VAL 122  -2.083   5.673  -5.440
  956   1HG2  VAL 122          HG21      VAL 122   1.123   7.833  -7.210
  957   2HG2  VAL 122          HG23      VAL 122   1.491   6.543  -6.065
  958   3HG2  VAL 122          HG22      VAL 122   0.773   6.155  -7.629
  959    H    ILE 123           HN       ILE 123  -3.307   8.490  -5.426
  960    HA   ILE 123           HA       ILE 123  -5.181   6.467  -6.259
  961    HB   ILE 123           HB       ILE 123  -5.108   8.606  -4.261
  962   1HG1  ILE 123          HG12      ILE 123  -5.092   6.101  -3.907
  963   2HG1  ILE 123          HG11      ILE 123  -6.317   6.953  -2.973
  964   1HG2  ILE 123          HG21      ILE 123  -6.964   9.481  -5.699
  965   2HG2  ILE 123          HG23      ILE 123  -7.793   7.937  -5.503
  966   3HG2  ILE 123          HG22      ILE 123  -7.518   8.973  -4.103
  967   1HD1  ILE 123          HD13      ILE 123  -7.182   6.110  -5.667
  968   2HD1  ILE 123          HD12      ILE 123  -6.841   4.789  -4.549
  969   3HD1  ILE 123          HD11      ILE 123  -8.039   6.014  -4.128
  970    H    ALA 124           HN       ALA 124  -4.219   9.456  -7.540
  971    HA   ALA 124           HA       ALA 124  -6.610  10.321  -8.843
  972   1HB   ALA 124           HB1      ALA 124  -3.829  11.017  -8.825
  973   2HB   ALA 124           HB3      ALA 124  -4.357  10.858 -10.500
  974   3HB   ALA 124           HB2      ALA 124  -5.187  11.975  -9.415
  975    H    LYS 125           HN       LYS 125  -4.233   7.923  -9.461
  976    HA   LYS 125           HA       LYS 125  -5.089   7.312 -12.177
  977   1HB   LYS 125           HB2      LYS 125  -3.165   6.043 -10.226
  978   2HB   LYS 125           HB1      LYS 125  -3.466   5.385 -11.839
  979   1HG   LYS 125           HG2      LYS 125  -2.557   8.205 -11.221
  980   2HG   LYS 125           HG1      LYS 125  -1.541   6.914 -11.874
  981   1HD   LYS 125           HD2      LYS 125  -3.709   6.919 -13.592
  982   2HD   LYS 125           HD1      LYS 125  -3.472   8.632 -13.249
  983   1HE   LYS 125           HE2      LYS 125  -1.075   6.952 -13.866
  984   2HE   LYS 125           HE1      LYS 125  -2.114   7.458 -15.196
  985   1HZ   LYS 125           HZ3      LYS 125  -1.903   9.763 -14.297
  986   2HZ   LYS 125           HZ2      LYS 125  -0.704   9.184 -13.243
  987   3HZ   LYS 125           HZ1      LYS 125  -0.467   9.114 -14.924
  988    H    LEU 126           HN       LEU 126  -5.558   5.827  -8.948
  989    HA   LEU 126           HA       LEU 126  -6.909   3.499  -9.982
  990   1HB   LEU 126           HB2      LEU 126  -7.181   4.833  -7.271
  991   2HB   LEU 126           HB1      LEU 126  -7.834   3.251  -7.698
  992    HG   LEU 126           HG       LEU 126  -5.888   2.397  -6.986
  993   1HD1  LEU 126          HD12      LEU 126  -5.491   2.376  -9.459
  994   2HD1  LEU 126          HD11      LEU 126  -4.593   3.884  -9.283
  995   3HD1  LEU 126          HD13      LEU 126  -4.003   2.414  -8.513
  996   1HD2  LEU 126          HD22      LEU 126  -5.509   4.659  -5.881
  997   2HD2  LEU 126          HD21      LEU 126  -4.062   3.701  -6.196
  998   3HD2  LEU 126          HD23      LEU 126  -4.476   5.048  -7.257
  999    H    LYS 127           HN       LYS 127  -7.798   6.773  -9.498
 1000    HA   LYS 127           HA       LYS 127 -10.594   6.655  -9.215
 1001   1HB   LYS 127           HB2      LYS 127  -9.066   8.496 -11.076
 1002   2HB   LYS 127           HB1      LYS 127 -10.591   8.849 -10.235
 1003   1HG   LYS 127           HG2      LYS 127  -8.825   8.044  -8.220
 1004   2HG   LYS 127           HG1      LYS 127  -7.870   9.092  -9.269
 1005   1HD   LYS 127           HD2      LYS 127 -10.556   9.796  -8.056
 1006   2HD   LYS 127           HD1      LYS 127  -8.993  10.434  -7.542
 1007   1HE   LYS 127           HE2      LYS 127  -8.785  11.794  -9.389
 1008   2HE   LYS 127           HE1      LYS 127  -9.691  10.694 -10.430
 1009   1HZ   LYS 127           HZ2      LYS 127 -11.637  11.341  -8.862
 1010   2HZ   LYS 127           HZ1      LYS 127 -10.687  12.713  -8.544
 1011   3HZ   LYS 127           HZ3      LYS 127 -11.192  12.379 -10.130
 1012    H    ARG 128           HN       ARG 128  -8.476   6.066 -11.880
 1013    HA   ARG 128           HA       ARG 128 -10.642   5.792 -13.837
 1014   1HB   ARG 128           HB2      ARG 128  -7.871   4.871 -14.433
 1015   2HB   ARG 128           HB1      ARG 128  -8.976   5.809 -15.426
 1016   1HG   ARG 128           HG2      ARG 128  -8.300   7.395 -13.142
 1017   2HG   ARG 128           HG1      ARG 128  -6.803   6.763 -13.827
 1018   1HD   ARG 128           HD2      ARG 128  -7.007   8.542 -15.236
 1019   2HD   ARG 128           HD1      ARG 128  -8.142   7.494 -16.090
 1020    HE   ARG 128           HE       ARG 128  -9.722   8.729 -14.191
 1021   1HH1  ARG 128          HH11      ARG 128  -7.145  10.376 -15.569
 1022   2HH1  ARG 128          HH12      ARG 128  -8.105  11.614 -16.307
 1023   1HH2  ARG 128          HH21      ARG 128 -11.127  10.081 -15.582
 1024   2HH2  ARG 128          HH22      ARG 128 -10.357  11.448 -16.315
 1025    H    LEU 129           HN       LEU 129  -8.637   3.813 -11.764
 1026    HA   LEU 129           HA       LEU 129  -8.776   1.298 -12.923
 1027   1HB   LEU 129           HB2      LEU 129  -8.335   2.311 -10.290
 1028   2HB   LEU 129           HB1      LEU 129  -9.428   0.927 -10.172
 1029    HG   LEU 129           HG       LEU 129  -7.824  -0.265 -11.775
 1030   1HD1  LEU 129          HD12      LEU 129  -6.596   2.310 -11.644
 1031   2HD1  LEU 129          HD11      LEU 129  -5.495   1.154 -10.895
 1032   3HD1  LEU 129          HD13      LEU 129  -6.055   0.896 -12.548
 1033   1HD2  LEU 129          HD23      LEU 129  -8.035  -0.497  -9.197
 1034   2HD2  LEU 129          HD22      LEU 129  -6.575  -1.122  -9.964
 1035   3HD2  LEU 129          HD21      LEU 129  -6.540   0.435  -9.136
 1036   3HOG  APC 130           H5T      ATP 130   6.681   0.882   8.315
 1037   1H3A  APC 130           H3P      ATP 130   9.519   2.353   8.026
 1038   2H3A  APC 130          H3P'      ATP 130   8.155   2.044   9.125
 1039   1H5*  APC 130           H5'      ATP 130   8.943   4.073   7.675
 1040   2H5*  APC 130          H5''      ATP 130  10.303   5.147   7.290
 1041    H4*  APC 130           H4'      ATP 130   9.377   6.733   9.056
 1042    H3*  APC 130           H3'      ATP 130   7.328   4.590   9.065
 1043   *HO3  APC 130          H3''      ATP 130   7.604   6.758  10.931
 1044    H2*  APC 130          H2''      ATP 130   5.609   5.836   8.415
 1045   *HO2  APC 130           H2'      ATP 130   5.013   7.545   9.538
 1046    H1*  APC 130           H1'      ATP 130   7.040   8.307   7.788
 1047    H8   APC 130           H8       ATP 130   6.375   5.031   5.869
 1048    H2   APC 130           H2       ATP 130   3.975  10.959   5.854
 1049   1HN6  APC 130           H61      ATP 130   2.790   6.654   3.052
 1050   2HN6  APC 130           H62      ATP 130   2.013   8.213   2.887
 1051   1HN1  CON 131          H1N1      ATP 130  10.849  -0.337  13.477
 1052   2HN1  CON 131          H2N1      ATP 130   9.804  -0.888  14.502
 1053   3HN1  CON 131          H3N1      ATP 130   9.876   0.642  14.208
 1054   1HN2  CON 131          H1N2      ATP 130   6.462  -0.901  13.749
 1055   2HN2  CON 131          H2N2      ATP 130   6.981  -2.284  13.240
 1056   3HN2  CON 131          H3N2      ATP 130   7.686  -1.584  14.446
 1057   1HN3  CON 131          H1N3      ATP 130   7.461   1.868  11.989
 1058   2HN3  CON 131          H2N3      ATP 130   8.338   1.906  13.286
 1059   3HN3  CON 131          H3N3      ATP 130   6.917   1.250  13.315
 1060   1HN4  CON 131          H1N4      ATP 130   9.717  -2.311  10.867
 1061   2HN4  CON 131          H2N4      ATP 130  10.144  -2.520  12.356
 1062   3HN4  CON 131          H3N4      ATP 130   8.742  -3.015  11.862
 1063   1HO1  MO2 132          H1O1      MG  131  10.124  -2.683   6.609
 1064   2HO1  MO2 132          H2O1      MG  131   9.846  -2.794   8.093
 1065   1HO2  MO2 132          H1O2      MG  131   7.799  -4.471   9.587
 1066   2HO2  MO2 132          H2O2      MG  131   7.830  -5.838   8.932
   
  No H/Q in entry =        1066
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1  17.293  16.742   3.574
    2   2H    MET   1           HT3      MET   1  17.468  18.228   4.368
    3   3H    MET   1           HT2      MET   1  18.244  16.846   4.978
    4    HA   MET   1           HA       MET   1  16.291  17.377   6.297
    5   1HB   MET   1           HB2      MET   1  15.217  18.178   3.917
    6   2HB   MET   1           HB1      MET   1  14.451  16.602   4.118
    7   1HG   MET   1           HG2      MET   1  12.998  17.603   5.520
    8   2HG   MET   1           HG1      MET   1  14.334  17.759   6.660
    9   1HE   MET   1           HE3      MET   1  16.015  19.224   6.531
   10   2HE   MET   1           HE2      MET   1  16.191  20.632   5.487
   11   3HE   MET   1           HE1      MET   1  15.434  20.806   7.068
   12    H    LYS   2           HN       LYS   2  14.120  15.498   5.872
   13    HA   LYS   2           HA       LYS   2  15.696  12.961   5.977
   14   1HB   LYS   2           HB2      LYS   2  13.693  12.100   7.317
   15   2HB   LYS   2           HB1      LYS   2  14.731  13.263   8.124
   16   1HG   LYS   2           HG2      LYS   2  12.507  13.987   8.574
   17   2HG   LYS   2           HG1      LYS   2  13.113  15.073   7.334
   18   1HD   LYS   2           HD2      LYS   2  10.813  14.345   6.824
   19   2HD   LYS   2           HD1      LYS   2  11.927  13.764   5.602
   20   1HE   LYS   2           HE2      LYS   2  10.568  11.890   6.089
   21   2HE   LYS   2           HE1      LYS   2  12.038  11.592   7.007
   22   1HZ   LYS   2           HZ2      LYS   2  10.153  13.175   8.454
   23   2HZ   LYS   2           HZ1      LYS   2   9.508  11.668   8.008
   24   3HZ   LYS   2           HZ3      LYS   2  10.939  11.741   8.915
   25    H    LYS   3           HN       LYS   3  14.391  11.000   5.279
   26    HA   LYS   3           HA       LYS   3  12.132  11.482   3.503
   27   1HB   LYS   3           HB2      LYS   3  13.816  12.193   1.950
   28   2HB   LYS   3           HB1      LYS   3  14.856  10.828   2.360
   29   1HG   LYS   3           HG2      LYS   3  13.243   9.261   1.419
   30   2HG   LYS   3           HG1      LYS   3  12.110  10.576   1.104
   31   1HD   LYS   3           HD2      LYS   3  13.105  10.997  -0.867
   32   2HD   LYS   3           HD1      LYS   3  14.649  11.248  -0.053
   33   1HE   LYS   3           HE2      LYS   3  15.391   9.139  -0.522
   34   2HE   LYS   3           HE1      LYS   3  13.791   8.423  -0.327
   35   1HZ   LYS   3           HZ3      LYS   3  14.170  10.221  -2.589
   36   2HZ   LYS   3           HZ2      LYS   3  14.939   8.709  -2.679
   37   3HZ   LYS   3           HZ1      LYS   3  13.255   8.798  -2.475
   38    H    LEU   4           HN       LEU   4  11.148   9.516   2.837
   39    HA   LEU   4           HA       LEU   4  12.420   6.968   3.413
   40   1HB   LEU   4           HB2      LEU   4  11.260   6.256   5.274
   41   2HB   LEU   4           HB1      LEU   4  11.389   7.966   5.647
   42    HG   LEU   4           HG       LEU   4   9.167   7.425   6.086
   43   1HD1  LEU   4          HD11      LEU   4   9.708   9.147   3.942
   44   2HD1  LEU   4          HD13      LEU   4   8.266   8.237   3.501
   45   3HD1  LEU   4          HD12      LEU   4   8.307   9.153   5.006
   46   1HD2  LEU   4          HD21      LEU   4   9.539   5.502   3.939
   47   2HD2  LEU   4          HD23      LEU   4   8.420   5.457   5.301
   48   3HD2  LEU   4          HD22      LEU   4   7.985   6.325   3.830
   49    H    GLN   5           HN       GLN   5  11.315   5.243   2.416
   50    HA   GLN   5           HA       GLN   5   9.101   6.153   0.634
   51   1HB   GLN   5           HB2      GLN   5  11.047   3.862   0.232
   52   2HB   GLN   5           HB1      GLN   5   9.820   4.398  -0.917
   53   1HG   GLN   5           HG2      GLN   5  11.686   5.542  -1.716
   54   2HG   GLN   5           HG1      GLN   5  10.994   6.743  -0.619
   55   1HE2  GLN   5          HE22      GLN   5  14.375   4.725   0.593
   56   2HE2  GLN   5          HE21      GLN   5  13.324   3.980  -0.511
   57    H    ILE   6           HN       ILE   6   7.631   4.257   0.002
   58    HA   ILE   6           HA       ILE   6   7.284   2.400   2.296
   59    HB   ILE   6           HB       ILE   6   5.334   4.378   1.166
   60   1HG1  ILE   6          HG12      ILE   6   6.730   3.846   3.650
   61   2HG1  ILE   6          HG11      ILE   6   5.836   5.278   3.164
   62   1HG2  ILE   6          HG22      ILE   6   4.688   1.737   2.491
   63   2HG2  ILE   6          HG21      ILE   6   3.531   3.060   2.342
   64   3HG2  ILE   6          HG23      ILE   6   4.171   2.277   0.896
   65   1HD1  ILE   6          HD11      ILE   6   4.445   2.779   4.177
   66   2HD1  ILE   6          HD13      ILE   6   4.976   4.060   5.259
   67   3HD1  ILE   6          HD12      ILE   6   3.775   4.403   4.019
   68    H    ALA   7           HN       ALA   7   7.630   0.468   1.341
   69    HA   ALA   7           HA       ALA   7   6.870  -0.014  -1.447
   70   1HB   ALA   7           HB1      ALA   7   8.566  -1.279   0.545
   71   2HB   ALA   7           HB3      ALA   7   7.535  -2.463  -0.261
   72   3HB   ALA   7           HB2      ALA   7   8.607  -1.433  -1.211
   73    H    VAL   8           HN       VAL   8   4.513   0.462  -0.869
   74    HA   VAL   8           HA       VAL   8   3.199  -1.672   0.642
   75    HB   VAL   8           HB       VAL   8   2.029   0.311   0.996
   76   1HG1  VAL   8          HG13      VAL   8   2.964   0.946  -1.738
   77   2HG1  VAL   8          HG12      VAL   8   1.402   1.633  -1.294
   78   3HG1  VAL   8          HG11      VAL   8   2.828   1.984  -0.322
   79   1HG2  VAL   8          HG22      VAL   8   0.667  -1.638  -0.282
   80   2HG2  VAL   8          HG21      VAL   8  -0.100  -0.135   0.233
   81   3HG2  VAL   8          HG23      VAL   8   0.430  -0.329  -1.440
   82    H    GLY   9           HN       GLY   9   2.024  -0.450  -2.470
   83   1HA   GLY   9           HA2      GLY   9   1.696  -1.652  -4.485
   84   2HA   GLY   9           HA1      GLY   9   2.534  -3.032  -3.758
   85    H    ILE  10           HN       ILE  10  -0.470  -1.204  -3.686
   86    HA   ILE  10           HA       ILE  10  -1.965  -2.776  -1.931
   87    HB   ILE  10           HB       ILE  10  -3.577  -2.156  -4.299
   88   1HG1  ILE  10          HG12      ILE  10  -1.988   0.084  -2.985
   89   2HG1  ILE  10          HG11      ILE  10  -1.809  -0.447  -4.661
   90   1HG2  ILE  10          HG23      ILE  10  -4.309  -2.519  -1.890
   91   2HG2  ILE  10          HG22      ILE  10  -3.569  -0.969  -1.496
   92   3HG2  ILE  10          HG21      ILE  10  -4.927  -1.036  -2.618
   93   1HD1  ILE  10          HD11      ILE  10  -4.487   0.432  -3.581
   94   2HD1  ILE  10          HD13      ILE  10  -3.323   1.607  -4.194
   95   3HD1  ILE  10          HD12      ILE  10  -3.950   0.350  -5.260
   96    H    ILE  11           HN       ILE  11  -3.262  -4.665  -2.239
   97    HA   ILE  11           HA       ILE  11  -2.338  -6.258  -4.582
   98    HB   ILE  11           HB       ILE  11  -2.594  -8.240  -3.002
   99   1HG1  ILE  11          HG12      ILE  11  -2.774  -5.964  -0.987
  100   2HG1  ILE  11          HG11      ILE  11  -4.047  -7.142  -1.346
  101   1HG2  ILE  11          HG22      ILE  11  -0.577  -6.057  -2.890
  102   2HG2  ILE  11          HG21      ILE  11  -0.544  -7.185  -1.534
  103   3HG2  ILE  11          HG23      ILE  11  -0.347  -7.779  -3.180
  104   1HD1  ILE  11          HD12      ILE  11  -1.351  -8.177  -0.571
  105   2HD1  ILE  11          HD11      ILE  11  -2.388  -7.522   0.696
  106   3HD1  ILE  11          HD13      ILE  11  -2.944  -8.879  -0.285
  107    H    ARG  12           HN       ARG  12  -4.339  -5.345  -5.622
  108    HA   ARG  12           HA       ARG  12  -6.901  -6.317  -4.599
  109   1HB   ARG  12           HB2      ARG  12  -7.775  -5.511  -6.890
  110   2HB   ARG  12           HB1      ARG  12  -7.226  -4.301  -5.761
  111   1HG   ARG  12           HG2      ARG  12  -4.920  -4.825  -7.154
  112   2HG   ARG  12           HG1      ARG  12  -6.143  -5.053  -8.385
  113   1HD   ARG  12           HD2      ARG  12  -6.820  -2.845  -8.330
  114   2HD   ARG  12           HD1      ARG  12  -6.441  -2.665  -6.628
  115    HE   ARG  12           HE       ARG  12  -3.984  -3.040  -7.968
  116   1HH1  ARG  12          HH21      ARG  12  -5.112  -0.572  -6.412
  117   2HH1  ARG  12          HH22      ARG  12  -4.821   0.666  -7.587
  118   1HH2  ARG  12          HH11      ARG  12  -4.257  -1.566 -10.182
  119   2HH2  ARG  12          HH12      ARG  12  -4.344   0.102  -9.727
  120    H    ASN  13           HN       ASN  13  -8.254  -7.974  -5.759
  121    HA   ASN  13           HA       ASN  13  -6.721  -9.537  -7.735
  122   1HB   ASN  13           HB2      ASN  13  -6.422 -11.473  -6.474
  123   2HB   ASN  13           HB1      ASN  13  -6.046 -10.181  -5.336
  124   1HD2  ASN  13          HD22      ASN  13  -9.064 -12.705  -4.504
  125   2HD2  ASN  13          HD21      ASN  13  -7.972 -12.961  -5.778
  126    H    GLU  14           HN       GLU  14  -9.938  -9.010  -6.265
  127    HA   GLU  14           HA       GLU  14 -10.923 -11.301  -7.903
  128   1HB   GLU  14           HB2      GLU  14 -11.761 -10.593  -5.518
  129   2HB   GLU  14           HB1      GLU  14 -12.738  -9.431  -6.410
  130   1HG   GLU  14           HG2      GLU  14 -13.248 -11.615  -7.886
  131   2HG   GLU  14           HG1      GLU  14 -12.917 -12.389  -6.338
  132    H    ASN  15           HN       ASN  15 -10.947  -7.902  -7.796
  133    HA   ASN  15           HA       ASN  15 -11.503  -7.576 -10.624
  134   1HB   ASN  15           HB2      ASN  15 -13.838  -7.757  -9.454
  135   2HB   ASN  15           HB1      ASN  15 -13.424  -6.204  -8.727
  136   1HD2  ASN  15          HD22      ASN  15 -14.971  -4.860 -11.651
  137   2HD2  ASN  15          HD21      ASN  15 -15.186  -5.177  -9.998
  138    H    ASN  16           HN       ASN  16 -11.546  -6.265  -7.458
  139    HA   ASN  16           HA       ASN  16  -9.175  -4.706  -7.828
  140   1HB   ASN  16           HB2      ASN  16 -11.848  -3.464  -8.065
  141   2HB   ASN  16           HB1      ASN  16 -10.803  -2.705  -6.875
  142   1HD2  ASN  16          HD22      ASN  16  -8.810  -1.146  -9.320
  143   2HD2  ASN  16          HD21      ASN  16  -9.260  -1.252  -7.688
  144    H    GLU  17           HN       GLU  17 -10.076  -6.980  -6.254
  145    HA   GLU  17           HA       GLU  17 -10.867  -5.812  -3.661
  146   1HB   GLU  17           HB2      GLU  17 -10.180  -8.670  -4.349
  147   2HB   GLU  17           HB1      GLU  17 -10.859  -8.098  -2.822
  148   1HG   GLU  17           HG2      GLU  17 -12.779  -7.125  -4.139
  149   2HG   GLU  17           HG1      GLU  17 -12.156  -7.982  -5.545
  150    H    ILE  18           HN       ILE  18  -9.057  -4.469  -3.258
  151    HA   ILE  18           HA       ILE  18  -6.389  -5.627  -3.005
  152    HB   ILE  18           HB       ILE  18  -5.977  -3.378  -1.799
  153   1HG1  ILE  18          HG12      ILE  18  -8.731  -3.325  -1.746
  154   2HG1  ILE  18          HG11      ILE  18  -7.694  -1.928  -1.496
  155   1HG2  ILE  18          HG23      ILE  18  -5.539  -4.018  -4.265
  156   2HG2  ILE  18          HG22      ILE  18  -6.966  -3.052  -4.623
  157   3HG2  ILE  18          HG21      ILE  18  -5.577  -2.306  -3.850
  158   1HD1  ILE  18          HD11      ILE  18  -7.797  -1.517  -3.990
  159   2HD1  ILE  18          HD13      ILE  18  -9.014  -2.789  -4.084
  160   3HD1  ILE  18          HD12      ILE  18  -9.337  -1.326  -3.155
  161    H    PHE  19           HN       PHE  19  -5.250  -5.846  -1.029
  162    HA   PHE  19           HA       PHE  19  -6.880  -6.708   1.271
  163   1HB   PHE  19           HB2      PHE  19  -4.697  -7.818   0.379
  164   2HB   PHE  19           HB1      PHE  19  -3.863  -6.481   1.166
  165    HD1  PHE  19           HD1      PHE  19  -6.897  -8.417   2.226
  166    HD2  PHE  19           HD2      PHE  19  -2.816  -7.366   3.061
  167    HE1  PHE  19           HE1      PHE  19  -7.024  -9.616   4.394
  168    HE2  PHE  19           HE2      PHE  19  -2.949  -8.563   5.227
  169    HZ   PHE  19           HZ       PHE  19  -5.056  -9.686   5.897
  170    H    ILE  20           HN       ILE  20  -7.168  -3.961   0.635
  171    HA   ILE  20           HA       ILE  20  -5.340  -2.355   2.186
  172    HB   ILE  20           HB       ILE  20  -6.399  -1.461   0.169
  173   1HG1  ILE  20          HG12      ILE  20  -7.152   0.680   1.051
  174   2HG1  ILE  20          HG11      ILE  20  -7.454  -0.037   2.629
  175   1HG2  ILE  20          HG21      ILE  20  -8.949  -1.787   1.764
  176   2HG2  ILE  20          HG23      ILE  20  -8.827  -0.957   0.214
  177   3HG2  ILE  20          HG22      ILE  20  -8.507  -2.689   0.314
  178   1HD1  ILE  20          HD11      ILE  20  -4.921  -0.689   2.542
  179   2HD1  ILE  20          HD13      ILE  20  -4.822   0.528   1.281
  180   3HD1  ILE  20          HD12      ILE  20  -5.348   0.977   2.902
  181    H    THR  21           HN       THR  21  -5.772  -1.222   3.998
  182    HA   THR  21           HA       THR  21  -7.278  -2.460   6.079
  183    HB   THR  21           HB       THR  21  -5.548  -1.018   6.785
  184    HG1  THR  21           HG1      THR  21  -7.690   0.769   7.053
  185   1HG2  THR  21          HG22      THR  21  -6.678   0.811   4.700
  186   2HG2  THR  21          HG21      THR  21  -5.752   1.503   6.031
  187   3HG2  THR  21          HG23      THR  21  -5.006   0.314   4.962
  188    H    ARG  22           HN       ARG  22  -9.410  -2.791   5.221
  189    HA   ARG  22           HA       ARG  22 -10.933  -0.354   4.508
  190   1HB   ARG  22           HB2      ARG  22 -11.063  -2.374   3.047
  191   2HB   ARG  22           HB1      ARG  22 -11.784  -3.256   4.398
  192   1HG   ARG  22           HG2      ARG  22 -13.575  -2.426   2.982
  193   2HG   ARG  22           HG1      ARG  22 -13.588  -1.516   4.495
  194   1HD   ARG  22           HD2      ARG  22 -12.271   0.280   3.407
  195   2HD   ARG  22           HD1      ARG  22 -12.313  -0.620   1.897
  196    HE   ARG  22           HE       ARG  22 -14.992  -0.352   2.672
  197   1HH1  ARG  22          HH11      ARG  22 -13.189   0.971   0.408
  198   2HH1  ARG  22          HH12      ARG  22 -13.769   2.593   0.536
  199   1HH2  ARG  22          HH21      ARG  22 -15.356   2.077   3.568
  200   2HH2  ARG  22          HH22      ARG  22 -14.985   3.224   2.323
  201    H    ARG  23           HN       ARG  23 -11.224   0.578   6.535
  202    HA   ARG  23           HA       ARG  23 -11.809   0.449   8.926
  203   1HB   ARG  23           HB2      ARG  23 -14.563   0.403   8.477
  204   2HB   ARG  23           HB1      ARG  23 -13.533   1.830   8.500
  205   1HG   ARG  23           HG2      ARG  23 -13.567   2.052   6.224
  206   2HG   ARG  23           HG1      ARG  23 -13.573   0.311   5.946
  207   1HD   ARG  23           HD2      ARG  23 -16.016   1.294   7.251
  208   2HD   ARG  23           HD1      ARG  23 -15.761   1.953   5.634
  209    HE   ARG  23           HE       ARG  23 -15.270  -0.760   5.331
  210   1HH1  ARG  23          HH21      ARG  23 -17.853   1.373   6.059
  211   2HH1  ARG  23          HH22      ARG  23 -19.084   0.169   5.873
  212   1HH2  ARG  23          HH11      ARG  23 -16.839  -2.415   5.311
  213   2HH2  ARG  23          HH12      ARG  23 -18.509  -1.978   5.450
  214    H    ALA  24           HN       ALA  24 -11.095  -1.748   9.472
  215    HA   ALA  24           HA       ALA  24 -12.367  -4.148   9.122
  216   1HB   ALA  24           HB3      ALA  24 -10.808  -2.968  11.342
  217   2HB   ALA  24           HB2      ALA  24 -11.794  -4.363  11.779
  218   3HB   ALA  24           HB1      ALA  24 -10.588  -4.502  10.500
  219    H    ALA  25           HN       ALA  25 -13.208  -1.908  11.810
  220    HA   ALA  25           HA       ALA  25 -15.588  -3.433  12.477
  221   1HB   ALA  25           HB3      ALA  25 -14.322  -2.029  14.126
  222   2HB   ALA  25           HB2      ALA  25 -14.882  -0.592  13.270
  223   3HB   ALA  25           HB1      ALA  25 -16.043  -1.652  14.068
  224    H    ASP  26           HN       ASP  26 -17.710  -1.902  12.666
  225    HA   ASP  26           HA       ASP  26 -18.401  -1.326   9.892
  226   1HB   ASP  26           HB2      ASP  26 -19.834  -1.580  12.470
  227   2HB   ASP  26           HB1      ASP  26 -20.542  -0.435  11.329
  228    H    ALA  27           HN       ALA  27 -16.938   0.460   9.481
  229    HA   ALA  27           HA       ALA  27 -17.067   2.892  11.051
  230   1HB   ALA  27           HB3      ALA  27 -15.230   2.021   9.355
  231   2HB   ALA  27           HB2      ALA  27 -16.211   2.893   8.177
  232   3HB   ALA  27           HB1      ALA  27 -15.512   3.751   9.547
  233    H    HIS  28           HN       HIS  28 -18.643   1.726   8.099
  234    HA   HIS  28           HA       HIS  28 -20.367   2.688   6.818
  235   1HB   HIS  28           HB2      HIS  28 -21.170   2.571   9.476
  236   2HB   HIS  28           HB1      HIS  28 -21.491   4.247   9.036
  237    HD1  HIS  28           HD1      HIS  28 -22.649   0.756   8.483
  238    HD2  HIS  28           HD2      HIS  28 -23.321   4.537   6.788
  239    HE1  HIS  28           HE1      HIS  28 -24.716   0.559   7.006
  240    H    MET  29           HN       MET  29 -17.806   4.203   7.389
  241    HA   MET  29           HA       MET  29 -18.833   6.951   6.843
  242   1HB   MET  29           HB2      MET  29 -16.594   5.930   8.502
  243   2HB   MET  29           HB1      MET  29 -16.246   7.372   7.546
  244   1HG   MET  29           HG2      MET  29 -18.847   7.644   8.745
  245   2HG   MET  29           HG1      MET  29 -17.675   7.223   9.995
  246   1HE   MET  29           HE3      MET  29 -15.630   8.028  10.289
  247   2HE   MET  29           HE2      MET  29 -14.927   9.574   9.820
  248   3HE   MET  29           HE1      MET  29 -16.113   9.514  11.123
  249    H    ALA  30           HN       ALA  30 -16.559   4.433   5.932
  250    HA   ALA  30           HA       ALA  30 -15.490   4.052   3.886
  251   1HB   ALA  30           HB2      ALA  30 -17.807   5.449   3.225
  252   2HB   ALA  30           HB1      ALA  30 -16.518   6.348   2.426
  253   3HB   ALA  30           HB3      ALA  30 -16.729   4.629   2.096
  254    H    ASN  31           HN       ASN  31 -14.181   5.514   2.136
  255    HA   ASN  31           HA       ASN  31 -12.511   7.147   1.781
  256   1HB   ASN  31           HB2      ASN  31 -14.161   8.361   3.713
  257   2HB   ASN  31           HB1      ASN  31 -12.522   8.468   4.357
  258   1HD2  ASN  31          HD22      ASN  31 -11.776  11.155   2.217
  259   2HD2  ASN  31          HD21      ASN  31 -11.563  10.407   3.726
  260    H    LYS  32           HN       LYS  32 -12.708   4.907   4.273
  261    HA   LYS  32           HA       LYS  32 -10.035   5.345   5.376
  262   1HB   LYS  32           HB2      LYS  32 -12.206   4.249   6.451
  263   2HB   LYS  32           HB1      LYS  32 -11.514   2.785   5.752
  264   1HG   LYS  32           HG2      LYS  32  -9.318   4.015   6.902
  265   2HG   LYS  32           HG1      LYS  32 -10.611   4.347   8.056
  266   1HD   LYS  32           HD2      LYS  32 -11.211   1.905   7.952
  267   2HD   LYS  32           HD1      LYS  32  -9.747   1.647   7.007
  268   1HE   LYS  32           HE2      LYS  32  -9.203   1.179   9.309
  269   2HE   LYS  32           HE1      LYS  32  -8.452   2.722   8.897
  270   1HZ   LYS  32           HZ2      LYS  32 -11.170   2.738   9.992
  271   2HZ   LYS  32           HZ1      LYS  32  -9.878   2.451  11.057
  272   3HZ   LYS  32           HZ3      LYS  32  -9.930   3.887  10.157
  273    H    LEU  33           HN       LEU  33  -9.669   5.116   2.690
  274    HA   LEU  33           HA       LEU  33  -8.814   2.284   2.274
  275   1HB   LEU  33           HB2      LEU  33  -9.490   4.540   0.355
  276   2HB   LEU  33           HB1      LEU  33  -8.616   3.112  -0.211
  277    HG   LEU  33           HG       LEU  33 -11.372   3.216   1.033
  278   1HD1  LEU  33          HD11      LEU  33 -11.010   3.712  -1.428
  279   2HD1  LEU  33          HD13      LEU  33 -10.398   2.067  -1.592
  280   3HD1  LEU  33          HD12      LEU  33 -12.067   2.340  -1.098
  281   1HD2  LEU  33          HD21      LEU  33  -9.394   1.000   0.774
  282   2HD2  LEU  33          HD23      LEU  33 -10.671   1.229   1.968
  283   3HD2  LEU  33          HD22      LEU  33 -11.066   0.628   0.357
  284    H    GLU  34           HN       GLU  34  -6.848   2.602   3.555
  285    HA   GLU  34           HA       GLU  34  -5.013   4.724   2.659
  286   1HB   GLU  34           HB2      GLU  34  -5.374   3.815   5.105
  287   2HB   GLU  34           HB1      GLU  34  -4.224   2.575   4.603
  288   1HG   GLU  34           HG2      GLU  34  -3.019   4.852   3.662
  289   2HG   GLU  34           HG1      GLU  34  -3.776   5.437   5.145
  290    H    PHE  35           HN       PHE  35  -2.757   2.654   3.383
  291    HA   PHE  35           HA       PHE  35  -2.840   0.947   0.995
  292   1HB   PHE  35           HB2      PHE  35  -0.542   2.883   1.306
  293   2HB   PHE  35           HB1      PHE  35  -0.946   1.886  -0.093
  294    HD1  PHE  35           HD2      PHE  35  -1.872   4.884   1.856
  295    HD2  PHE  35           HD1      PHE  35  -2.702   2.526  -1.637
  296    HE1  PHE  35           HE2      PHE  35  -3.263   6.724   0.943
  297    HE2  PHE  35           HE1      PHE  35  -4.095   4.365  -2.547
  298    HZ   PHE  35           HZ       PHE  35  -4.375   6.463  -1.256
  299    HA   PRO  36           HA       PRO  36  -0.688  -1.497   4.023
  300   1HB   PRO  36           HB2      PRO  36  -0.072  -3.491   2.100
  301   2HB   PRO  36           HB1      PRO  36  -1.467  -3.474   3.184
  302   1HG   PRO  36           HG2      PRO  36  -1.402  -2.979   0.297
  303   2HG   PRO  36           HG1      PRO  36  -2.799  -3.250   1.349
  304   1HD   PRO  36           HD2      PRO  36  -1.980  -0.776   0.216
  305   2HD   PRO  36           HD1      PRO  36  -3.249  -1.020   1.437
  306    H    GLY  37           HN       GLY  37   1.157   0.018   4.121
  307   1HA   GLY  37           HA2      GLY  37   3.309  -0.581   2.132
  308   2HA   GLY  37           HA1      GLY  37   3.114   0.970   2.935
  309    H    GLY  38           HN       GLY  38   4.667  -2.042   3.058
  310   1HA   GLY  38           HA2      GLY  38   5.227  -2.010   5.918
  311   2HA   GLY  38           HA1      GLY  38   5.910  -3.129   4.750
  312    H    LYS  39           HN       LYS  39   6.177   0.211   3.911
  313    HA   LYS  39           HA       LYS  39   8.009   1.666   3.839
  314   1HB   LYS  39           HB2      LYS  39   7.978   1.630   6.245
  315   2HB   LYS  39           HB1      LYS  39   8.754   0.048   6.286
  316   1HG   LYS  39           HG2      LYS  39  10.481   1.641   6.737
  317   2HG   LYS  39           HG1      LYS  39  10.722   1.122   5.071
  318   1HD   LYS  39           HD2      LYS  39   8.992   3.209   4.732
  319   2HD   LYS  39           HD1      LYS  39   9.939   3.755   6.115
  320   1HE   LYS  39           HE2      LYS  39  10.993   2.899   3.407
  321   2HE   LYS  39           HE1      LYS  39  11.083   4.504   4.125
  322   1HZ   LYS  39           HZ3      LYS  39  12.308   2.149   5.428
  323   2HZ   LYS  39           HZ2      LYS  39  13.140   3.059   4.263
  324   3HZ   LYS  39           HZ1      LYS  39  12.624   3.790   5.705
  325    H    ILE  40           HN       ILE  40   9.221   1.277   2.006
  326    HA   ILE  40           HA       ILE  40  10.757  -1.211   1.739
  327    HB   ILE  40           HB       ILE  40  10.107  -0.598  -0.373
  328   1HG1  ILE  40          HG12      ILE  40  12.750  -0.484  -0.019
  329   2HG1  ILE  40          HG11      ILE  40  12.018  -0.165  -1.588
  330   1HG2  ILE  40          HG23      ILE  40  10.181   2.168   0.712
  331   2HG2  ILE  40          HG22      ILE  40  10.417   1.991  -1.025
  332   3HG2  ILE  40          HG21      ILE  40   8.950   1.376  -0.270
  333   1HD1  ILE  40          HD11      ILE  40  12.035   2.272  -1.069
  334   2HD1  ILE  40          HD13      ILE  40  12.836   1.921   0.461
  335   3HD1  ILE  40          HD12      ILE  40  13.658   1.582  -1.061
  336    H    GLU  41           HN       GLU  41  12.947  -1.439   2.026
  337    HA   GLU  41           HA       GLU  41  14.769   0.772   2.205
  338   1HB   GLU  41           HB2      GLU  41  15.161   0.874   4.561
  339   2HB   GLU  41           HB1      GLU  41  13.419   1.025   4.331
  340   1HG   GLU  41           HG2      GLU  41  13.561  -1.645   4.537
  341   2HG   GLU  41           HG1      GLU  41  14.984  -1.231   5.493
  342    H    MET  42           HN       MET  42  14.028  -2.589   2.990
  343    HA   MET  42           HA       MET  42  16.637  -3.544   3.521
  344   1HB   MET  42           HB2      MET  42  14.189  -4.794   2.298
  345   2HB   MET  42           HB1      MET  42  15.701  -5.697   2.354
  346   1HG   MET  42           HG2      MET  42  15.810  -5.513   4.756
  347   2HG   MET  42           HG1      MET  42  14.451  -4.389   4.781
  348   1HE   MET  42           HE3      MET  42  14.717  -6.396   6.549
  349   2HE   MET  42           HE2      MET  42  12.963  -6.532   6.648
  350   3HE   MET  42           HE1      MET  42  13.936  -7.973   6.361
  351    H    GLY  43           HN       GLY  43  18.123  -4.699   2.040
  352   1HA   GLY  43           HA2      GLY  43  19.536  -4.555   0.156
  353   2HA   GLY  43           HA1      GLY  43  18.032  -4.808  -0.737
  354    H    GLU  44           HN       GLU  44  17.997  -3.329  -2.338
  355    HA   GLU  44           HA       GLU  44  17.884  -0.500  -1.676
  356   1HB   GLU  44           HB2      GLU  44  19.793   0.239  -2.955
  357   2HB   GLU  44           HB1      GLU  44  20.369  -0.978  -1.816
  358   1HG   GLU  44           HG2      GLU  44  19.568  -2.419  -4.097
  359   2HG   GLU  44           HG1      GLU  44  20.442  -1.016  -4.713
  360    H    THR  45           HN       THR  45  16.401  -2.752  -3.034
  361    HA   THR  45           HA       THR  45  15.762  -1.251  -5.529
  362    HB   THR  45           HB       THR  45  15.955  -4.271  -5.337
  363    HG1  THR  45           HG1      THR  45  18.011  -3.547  -5.274
  364   1HG2  THR  45          HG21      THR  45  14.377  -3.391  -7.033
  365   2HG2  THR  45          HG23      THR  45  15.668  -2.400  -7.708
  366   3HG2  THR  45          HG22      THR  45  15.772  -4.158  -7.789
  367    HA   PRO  46           HA       PRO  46  11.650  -1.395  -3.930
  368   1HB   PRO  46           HB2      PRO  46  10.620  -1.934  -6.603
  369   2HB   PRO  46           HB1      PRO  46  10.456  -0.468  -5.627
  370   1HG   PRO  46           HG2      PRO  46  12.135  -0.821  -7.913
  371   2HG   PRO  46           HG1      PRO  46  12.078   0.582  -6.837
  372   1HD   PRO  46           HD2      PRO  46  14.189  -1.363  -7.076
  373   2HD   PRO  46           HD1      PRO  46  14.114   0.028  -5.976
  374    H    GLU  47           HN       GLU  47  13.086  -3.914  -5.844
  375    HA   GLU  47           HA       GLU  47  10.934  -5.839  -5.456
  376   1HB   GLU  47           HB2      GLU  47  13.606  -5.788  -6.700
  377   2HB   GLU  47           HB1      GLU  47  13.231  -7.316  -5.904
  378   1HG   GLU  47           HG2      GLU  47  11.390  -7.734  -7.275
  379   2HG   GLU  47           HG1      GLU  47  11.184  -6.031  -7.686
  380    H    GLN  48           HN       GLN  48  14.250  -6.539  -4.443
  381    HA   GLN  48           HA       GLN  48  13.675  -8.099  -2.246
  382   1HB   GLN  48           HB2      GLN  48  15.921  -6.118  -2.657
  383   2HB   GLN  48           HB1      GLN  48  15.815  -7.109  -1.193
  384   1HG   GLN  48           HG2      GLN  48  15.723  -9.153  -2.604
  385   2HG   GLN  48           HG1      GLN  48  15.922  -8.148  -4.040
  386   1HE2  GLN  48          HE22      GLN  48  19.136  -8.817  -1.586
  387   2HE2  GLN  48          HE21      GLN  48  17.572  -9.203  -1.053
  388    H    ALA  49           HN       ALA  49  13.524  -4.598  -2.377
  389    HA   ALA  49           HA       ALA  49  13.260  -4.198   0.447
  390   1HB   ALA  49           HB3      ALA  49  12.835  -2.587  -1.997
  391   2HB   ALA  49           HB2      ALA  49  11.874  -2.113  -0.600
  392   3HB   ALA  49           HB1      ALA  49  13.634  -2.152  -0.487
  393    H    VAL  50           HN       VAL  50  10.727  -3.966  -2.065
  394    HA   VAL  50           HA       VAL  50   8.592  -4.087  -0.158
  395    HB   VAL  50           HB       VAL  50   8.645  -3.228  -2.600
  396   1HG1  VAL  50          HG13      VAL  50   7.881  -6.131  -3.031
  397   2HG1  VAL  50          HG12      VAL  50   7.756  -4.856  -4.240
  398   3HG1  VAL  50          HG11      VAL  50   9.338  -5.350  -3.640
  399   1HG2  VAL  50          HG23      VAL  50   6.520  -4.371  -0.962
  400   2HG2  VAL  50          HG22      VAL  50   6.550  -2.857  -1.868
  401   3HG2  VAL  50          HG21      VAL  50   6.119  -4.362  -2.680
  402    H    VAL  51           HN       VAL  51   9.870  -6.565  -2.349
  403    HA   VAL  51           HA       VAL  51   8.185  -8.690  -1.624
  404    HB   VAL  51           HB       VAL  51   9.927  -8.520  -3.518
  405   1HG1  VAL  51          HG13      VAL  51  11.818  -8.027  -1.960
  406   2HG1  VAL  51          HG12      VAL  51  11.677  -9.670  -1.333
  407   3HG1  VAL  51          HG11      VAL  51  12.129  -9.404  -3.018
  408   1HG2  VAL  51          HG22      VAL  51   8.537 -10.550  -2.854
  409   2HG2  VAL  51          HG21      VAL  51  10.044 -10.897  -3.705
  410   3HG2  VAL  51          HG23      VAL  51   9.949 -11.107  -1.956
  411    H    ARG  52           HN       ARG  52  11.320  -7.721  -0.190
  412    HA   ARG  52           HA       ARG  52  11.296  -9.861   1.763
  413   1HB   ARG  52           HB2      ARG  52  12.834  -7.245   1.737
  414   2HB   ARG  52           HB1      ARG  52  13.146  -8.586   2.827
  415   1HG   ARG  52           HG2      ARG  52  13.045  -9.346  -0.018
  416   2HG   ARG  52           HG1      ARG  52  14.375  -8.265   0.402
  417   1HD   ARG  52           HD2      ARG  52  15.143  -9.774   2.129
  418   2HD   ARG  52           HD1      ARG  52  13.724 -10.804   1.923
  419    HE   ARG  52           HE       ARG  52  14.880 -10.801  -0.584
  420   1HH1  ARG  52          HH11      ARG  52  17.428 -10.316   1.041
  421   2HH1  ARG  52          HH12      ARG  52  17.987 -11.939   1.267
  422   1HH2  ARG  52          HH21      ARG  52  14.963 -13.387   0.383
  423   2HH2  ARG  52          HH22      ARG  52  16.592 -13.678   0.894
  424    H    GLU  53           HN       GLU  53  10.102  -6.564   1.643
  425    HA   GLU  53           HA       GLU  53   9.426  -6.423   4.473
  426   1HB   GLU  53           HB2      GLU  53   8.370  -4.797   2.146
  427   2HB   GLU  53           HB1      GLU  53   8.177  -4.404   3.855
  428   1HG   GLU  53           HG2      GLU  53  10.956  -4.915   3.029
  429   2HG   GLU  53           HG1      GLU  53  10.222  -3.490   2.279
  430    H    LEU  54           HN       LEU  54   8.182  -7.883   1.695
  431    HA   LEU  54           HA       LEU  54   5.384  -7.961   2.485
  432   1HB   LEU  54           HB2      LEU  54   7.042  -8.694   0.209
  433   2HB   LEU  54           HB1      LEU  54   5.911  -9.981   0.598
  434    HG   LEU  54           HG       LEU  54   4.801  -8.509  -0.943
  435   1HD1  LEU  54          HD13      LEU  54   3.794  -9.109   1.538
  436   2HD1  LEU  54          HD12      LEU  54   3.579  -7.361   1.473
  437   3HD1  LEU  54          HD11      LEU  54   2.869  -8.383   0.223
  438   1HD2  LEU  54          HD23      LEU  54   6.075  -6.425   0.768
  439   2HD2  LEU  54          HD22      LEU  54   5.863  -6.467  -0.982
  440   3HD2  LEU  54          HD21      LEU  54   4.508  -6.037   0.060
  441    H    GLN  55           HN       GLN  55   7.816 -10.495   1.988
  442    HA   GLN  55           HA       GLN  55   6.434 -12.543   3.374
  443   1HB   GLN  55           HB2      GLN  55   9.064 -13.204   3.833
  444   2HB   GLN  55           HB1      GLN  55   8.173 -13.592   2.365
  445   1HG   GLN  55           HG2      GLN  55   9.148 -11.854   1.151
  446   2HG   GLN  55           HG1      GLN  55   9.527 -10.916   2.599
  447   1HE2  GLN  55          HE22      GLN  55  11.924 -14.222   2.136
  448   2HE2  GLN  55          HE21      GLN  55  10.236 -14.390   2.051
  449    H    GLU  56           HN       GLU  56   9.039 -10.392   4.620
  450    HA   GLU  56           HA       GLU  56   9.142 -11.340   7.237
  451   1HB   GLU  56           HB2      GLU  56   9.660  -8.967   7.925
  452   2HB   GLU  56           HB1      GLU  56  10.620  -9.546   6.567
  453   1HG   GLU  56           HG2      GLU  56   9.984  -7.530   5.723
  454   2HG   GLU  56           HG1      GLU  56   8.603  -8.479   5.177
  455    H    GLU  57           HN       GLU  57   6.561  -9.617   5.664
  456    HA   GLU  57           HA       GLU  57   5.170  -8.977   8.154
  457   1HB   GLU  57           HB2      GLU  57   4.713  -8.562   5.250
  458   2HB   GLU  57           HB1      GLU  57   3.259  -8.734   6.234
  459   1HG   GLU  57           HG2      GLU  57   3.569  -6.729   7.244
  460   2HG   GLU  57           HG1      GLU  57   5.290  -7.022   7.461
  461    H    VAL  58           HN       VAL  58   3.370 -10.490   5.589
  462    HA   VAL  58           HA       VAL  58   2.265 -12.444   7.448
  463    HB   VAL  58           HB       VAL  58   1.861 -12.137   4.482
  464   1HG1  VAL  58          HG11      VAL  58   0.989 -14.120   6.200
  465   2HG1  VAL  58          HG13      VAL  58  -0.381 -13.011   6.112
  466   3HG1  VAL  58          HG12      VAL  58   0.278 -13.717   4.636
  467   1HG2  VAL  58          HG22      VAL  58   0.744 -10.693   6.859
  468   2HG2  VAL  58          HG21      VAL  58   1.268 -10.035   5.309
  469   3HG2  VAL  58          HG23      VAL  58  -0.259 -10.908   5.426
  470    H    GLY  59           HN       GLY  59   3.332 -13.146   4.107
  471   1HA   GLY  59           HA2      GLY  59   5.529 -14.576   4.119
  472   2HA   GLY  59           HA1      GLY  59   4.598 -15.614   5.193
  473    H    ILE  60           HN       ILE  60   3.184 -13.952   2.382
  474    HA   ILE  60           HA       ILE  60   2.476 -16.626   1.312
  475    HB   ILE  60           HB       ILE  60   0.925 -15.478  -0.135
  476   1HG1  ILE  60          HG12      ILE  60   1.211 -12.764   0.575
  477   2HG1  ILE  60          HG11      ILE  60   2.827 -13.346   0.179
  478   1HG2  ILE  60          HG23      ILE  60   1.084 -14.631   2.724
  479   2HG2  ILE  60          HG22      ILE  60  -0.078 -13.799   1.693
  480   3HG2  ILE  60          HG21      ILE  60  -0.172 -15.548   1.893
  481   1HD1  ILE  60          HD13      ILE  60   0.948 -14.400  -1.723
  482   2HD1  ILE  60          HD12      ILE  60   0.753 -12.650  -1.620
  483   3HD1  ILE  60          HD11      ILE  60   2.328 -13.339  -2.014
  484    H    THR  61           HN       THR  61   2.409 -15.593  -1.528
  485    HA   THR  61           HA       THR  61   5.167 -14.843  -2.080
  486    HB   THR  61           HB       THR  61   4.309 -17.704  -2.285
  487    HG1  THR  61           HG1      THR  61   6.512 -16.207  -1.387
  488   1HG2  THR  61          HG21      THR  61   5.901 -16.196  -4.275
  489   2HG2  THR  61          HG23      THR  61   6.643 -17.685  -3.691
  490   3HG2  THR  61          HG22      THR  61   5.050 -17.731  -4.446
  491    HA   PRO  62           HA       PRO  62   3.107 -15.763  -6.397
  492   1HB   PRO  62           HB2      PRO  62   0.303 -16.183  -5.889
  493   2HB   PRO  62           HB1      PRO  62   1.450 -17.258  -6.715
  494   1HG   PRO  62           HG2      PRO  62   0.325 -17.525  -4.094
  495   2HG   PRO  62           HG1      PRO  62   1.463 -18.617  -4.892
  496   1HD   PRO  62           HD2      PRO  62   2.012 -16.891  -2.679
  497   2HD   PRO  62           HD1      PRO  62   3.173 -17.870  -3.593
  498    H    GLN  63           HN       GLN  63   2.145 -13.677  -3.923
  499    HA   GLN  63           HA       GLN  63   0.025 -12.186  -4.784
  500   1HB   GLN  63           HB2      GLN  63   1.238 -10.132  -4.044
  501   2HB   GLN  63           HB1      GLN  63   1.330 -11.452  -2.883
  502   1HG   GLN  63           HG2      GLN  63   3.561 -11.758  -3.205
  503   2HG   GLN  63           HG1      GLN  63   3.480 -11.363  -4.920
  504   1HE2  GLN  63          HE22      GLN  63   3.460  -7.751  -4.186
  505   2HE2  GLN  63          HE21      GLN  63   2.580  -8.856  -5.124
  506    H    HIS  64           HN       HIS  64   3.079 -12.511  -6.508
  507    HA   HIS  64           HA       HIS  64   3.742 -11.618  -8.589
  508   1HB   HIS  64           HB2      HIS  64   1.535 -12.920  -9.079
  509   2HB   HIS  64           HB1      HIS  64   0.791 -11.326  -9.174
  510    HD1  HIS  64           HD1      HIS  64   4.333 -11.560 -10.325
  511    HD2  HIS  64           HD2      HIS  64   0.503 -11.782 -12.032
  512    HE1  HIS  64           HE1      HIS  64   4.623 -11.352 -12.847
  513    H    PHE  65           HN       PHE  65   4.552  -9.650  -7.704
  514    HA   PHE  65           HA       PHE  65   2.689  -7.401  -7.382
  515   1HB   PHE  65           HB2      PHE  65   5.022  -6.213  -6.904
  516   2HB   PHE  65           HB1      PHE  65   4.234  -7.242  -5.711
  517    HD1  PHE  65           HD1      PHE  65   6.176  -8.049  -8.814
  518    HD2  PHE  65           HD2      PHE  65   5.888  -8.411  -4.545
  519    HE1  PHE  65           HE1      PHE  65   8.153  -9.543  -8.808
  520    HE2  PHE  65           HE2      PHE  65   7.865  -9.907  -4.539
  521    HZ   PHE  65           HZ       PHE  65   8.997 -10.473  -6.670
  522    H    SER  66           HN       SER  66   3.063  -5.339  -8.340
  523    HA   SER  66           HA       SER  66   4.670  -5.154 -10.791
  524   1HB   SER  66           HB2      SER  66   1.869  -5.817 -10.882
  525   2HB   SER  66           HB1      SER  66   2.094  -4.190 -11.515
  526    HG   SER  66           HG       SER  66   3.980  -5.329 -12.648
  527    H    LEU  67           HN       LEU  67   5.192  -2.959 -11.151
  528    HA   LEU  67           HA       LEU  67   4.850  -1.153  -8.966
  529   1HB   LEU  67           HB2      LEU  67   6.548  -1.193 -11.018
  530   2HB   LEU  67           HB1      LEU  67   5.373  -0.076 -11.701
  531    HG   LEU  67           HG       LEU  67   7.214   0.286  -9.386
  532   1HD1  LEU  67          HD12      LEU  67   6.748   1.427 -11.899
  533   2HD1  LEU  67          HD11      LEU  67   6.178   2.632 -10.743
  534   3HD1  LEU  67          HD13      LEU  67   7.836   2.038 -10.653
  535   1HD2  LEU  67          HD22      LEU  67   4.412   1.453  -9.503
  536   2HD2  LEU  67          HD21      LEU  67   5.110   0.498  -8.194
  537   3HD2  LEU  67          HD23      LEU  67   5.706   2.127  -8.515
  538    H    PHE  68           HN       PHE  68   3.615  -0.648 -12.252
  539    HA   PHE  68           HA       PHE  68   1.498   0.043 -12.989
  540   1HB   PHE  68           HB2      PHE  68  -0.152  -0.601 -11.608
  541   2HB   PHE  68           HB1      PHE  68   0.954  -0.690 -10.257
  542    HD1  PHE  68           HD2      PHE  68  -1.430   1.460 -12.082
  543    HD2  PHE  68           HD1      PHE  68   1.125   1.137  -8.644
  544    HE1  PHE  68           HE2      PHE  68  -2.510   3.458 -11.089
  545    HE2  PHE  68           HE1      PHE  68   0.048   3.136  -7.655
  546    HZ   PHE  68           HZ       PHE  68  -1.771   4.296  -8.876
  547    H    GLU  69           HN       GLU  69   2.702   1.824 -10.136
  548    HA   GLU  69           HA       GLU  69   3.682   4.094 -11.308
  549   1HB   GLU  69           HB2      GLU  69   1.646   4.501 -12.563
  550   2HB   GLU  69           HB1      GLU  69   0.657   4.314 -11.116
  551   1HG   GLU  69           HG2      GLU  69   0.798   6.632 -11.280
  552   2HG   GLU  69           HG1      GLU  69   2.159   6.295 -10.214
  553    H    LYS  70           HN       LYS  70   4.447   5.379  -9.701
  554    HA   LYS  70           HA       LYS  70   3.130   5.137  -7.027
  555   1HB   LYS  70           HB2      LYS  70   5.600   5.548  -6.235
  556   2HB   LYS  70           HB1      LYS  70   5.101   3.927  -6.703
  557   1HG   LYS  70           HG2      LYS  70   5.946   4.412  -9.020
  558   2HG   LYS  70           HG1      LYS  70   6.595   5.934  -8.409
  559   1HD   LYS  70           HD2      LYS  70   7.288   3.223  -7.248
  560   2HD   LYS  70           HD1      LYS  70   8.276   4.059  -8.447
  561   1HE   LYS  70           HE2      LYS  70   7.489   5.657  -6.073
  562   2HE   LYS  70           HE1      LYS  70   8.633   4.348  -5.778
  563   1HZ   LYS  70           HZ3      LYS  70   9.121   6.040  -8.101
  564   2HZ   LYS  70           HZ2      LYS  70   9.394   6.737  -6.576
  565   3HZ   LYS  70           HZ1      LYS  70  10.223   5.326  -7.030
  566    H    LEU  71           HN       LEU  71   4.281   7.009  -5.581
  567    HA   LEU  71           HA       LEU  71   4.416   9.483  -7.229
  568   1HB   LEU  71           HB2      LEU  71   3.065  10.601  -5.336
  569   2HB   LEU  71           HB1      LEU  71   2.176   9.606  -6.487
  570    HG   LEU  71           HG       LEU  71   2.084   7.759  -4.939
  571   1HD1  LEU  71          HD12      LEU  71   4.069   9.405  -3.372
  572   2HD1  LEU  71          HD11      LEU  71   3.082   8.181  -2.575
  573   3HD1  LEU  71          HD13      LEU  71   4.188   7.718  -3.869
  574   1HD2  LEU  71          HD23      LEU  71   0.531   9.763  -4.608
  575   2HD2  LEU  71          HD22      LEU  71   0.723   8.710  -3.207
  576   3HD2  LEU  71          HD21      LEU  71   1.585  10.246  -3.278
  577    H    GLU  72           HN       GLU  72   4.902  11.366  -5.488
  578    HA   GLU  72           HA       GLU  72   6.754  10.475  -3.386
  579   1HB   GLU  72           HB2      GLU  72   7.950  10.732  -5.743
  580   2HB   GLU  72           HB1      GLU  72   7.862  12.451  -5.353
  581   1HG   GLU  72           HG2      GLU  72   8.867  11.816  -3.071
  582   2HG   GLU  72           HG1      GLU  72   9.251  10.255  -3.804
  583    H    TYR  73           HN       TYR  73   5.154  11.537  -2.083
  584    HA   TYR  73           HA       TYR  73   4.512  14.342  -2.548
  585   1HB   TYR  73           HB2      TYR  73   3.266  12.310  -1.187
  586   2HB   TYR  73           HB1      TYR  73   4.010  13.210   0.135
  587    HD1  TYR  73           HD1      TYR  73   3.824  15.895  -0.200
  588    HD2  TYR  73           HD2      TYR  73   1.133  12.963  -1.818
  589    HE1  TYR  73           HE1      TYR  73   2.052  17.620  -0.383
  590    HE2  TYR  73           HE2      TYR  73  -0.639  14.687  -1.996
  591    HH   TYR  73           HH       TYR  73  -0.497  17.637  -0.440
  592    H    GLU  74           HN       GLU  74   6.258  15.692  -2.311
  593    HA   GLU  74           HA       GLU  74   8.090  15.214  -0.048
  594   1HB   GLU  74           HB2      GLU  74   8.895  15.768  -2.426
  595   2HB   GLU  74           HB1      GLU  74   8.315  17.406  -2.121
  596   1HG   GLU  74           HG2      GLU  74   9.723  17.289   0.047
  597   2HG   GLU  74           HG1      GLU  74  10.514  15.903  -0.706
  598    H    PHE  75           HN       PHE  75   8.520  16.965   1.471
  599    HA   PHE  75           HA       PHE  75   6.491  19.130   1.480
  600   1HB   PHE  75           HB2      PHE  75   6.676  16.850   3.332
  601   2HB   PHE  75           HB1      PHE  75   6.629  18.408   4.150
  602    HD1  PHE  75           HD2      PHE  75   4.966  19.926   2.087
  603    HD2  PHE  75           HD1      PHE  75   4.501  16.026   3.830
  604    HE1  PHE  75           HE2      PHE  75   2.527  20.034   1.678
  605    HE2  PHE  75           HE1      PHE  75   2.059  16.137   3.420
  606    HZ   PHE  75           HZ       PHE  75   1.071  18.141   2.345
  607    HA   PRO  76           HA       PRO  76   9.499  21.910   3.058
  608   1HB   PRO  76           HB2      PRO  76   8.477  22.050   5.792
  609   2HB   PRO  76           HB1      PRO  76   8.457  23.298   4.536
  610   1HG   PRO  76           HG2      PRO  76   6.246  21.705   5.445
  611   2HG   PRO  76           HG1      PRO  76   6.245  22.898   4.137
  612   1HD   PRO  76           HD2      PRO  76   6.009  20.069   3.884
  613   2HD   PRO  76           HD1      PRO  76   6.172  21.247   2.571
  614    H    ASP  77           HN       ASP  77   8.613  19.333   5.327
  615    HA   ASP  77           HA       ASP  77  11.469  18.640   5.621
  616   1HB   ASP  77           HB2      ASP  77  11.162  18.480   8.129
  617   2HB   ASP  77           HB1      ASP  77  11.170  20.131   7.507
  618    H    ARG  78           HN       ARG  78   9.195  17.456   4.293
  619    HA   ARG  78           HA       ARG  78   9.128  14.876   5.765
  620   1HB   ARG  78           HB2      ARG  78   6.943  16.710   5.537
  621   2HB   ARG  78           HB1      ARG  78   6.576  15.289   4.552
  622   1HG   ARG  78           HG2      ARG  78   5.780  14.795   6.754
  623   2HG   ARG  78           HG1      ARG  78   7.266  13.872   6.550
  624   1HD   ARG  78           HD2      ARG  78   8.197  14.919   8.306
  625   2HD   ARG  78           HD1      ARG  78   7.928  16.486   7.546
  626    HE   ARG  78           HE       ARG  78   6.572  15.742   9.816
  627   1HH1  ARG  78          HH11      ARG  78   5.911  17.377   6.974
  628   2HH1  ARG  78          HH12      ARG  78   4.188  17.360   7.152
  629   1HH2  ARG  78          HH21      ARG  78   4.226  15.210   9.872
  630   2HH2  ARG  78          HH22      ARG  78   3.234  16.132   8.792
  631    H    HIS  79           HN       HIS  79  10.691  14.376   3.978
  632    HA   HIS  79           HA       HIS  79   9.618  14.303   1.239
  633   1HB   HIS  79           HB2      HIS  79  12.147  13.055   2.371
  634   2HB   HIS  79           HB1      HIS  79  11.766  13.266   0.664
  635    HD1  HIS  79           HD1      HIS  79  14.233  14.628   1.083
  636    HD2  HIS  79           HD2      HIS  79  10.657  16.449   2.315
  637    HE1  HIS  79           HE1      HIS  79  14.704  17.122   1.319
  638    H    ILE  80           HN       ILE  80   8.244  12.649   0.630
  639    HA   ILE  80           HA       ILE  80   8.667  10.016   1.979
  640    HB   ILE  80           HB       ILE  80   6.053  11.437   1.424
  641   1HG1  ILE  80          HG12      ILE  80   5.727  10.889   3.862
  642   2HG1  ILE  80          HG11      ILE  80   7.399  10.344   3.910
  643   1HG2  ILE  80          HG23      ILE  80   6.557   8.546   2.194
  644   2HG2  ILE  80          HG22      ILE  80   4.986   9.339   2.196
  645   3HG2  ILE  80          HG21      ILE  80   5.847   9.116   0.684
  646   1HD1  ILE  80          HD12      ILE  80   7.190  12.939   2.635
  647   2HD1  ILE  80          HD11      ILE  80   6.485  12.973   4.250
  648   3HD1  ILE  80          HD13      ILE  80   8.159  12.463   4.030
  649    H    THR  81           HN       THR  81   7.770   8.189   0.802
  650    HA   THR  81           HA       THR  81   7.265   8.529  -2.090
  651    HB   THR  81           HB       THR  81   9.287   6.480  -1.232
  652    HG1  THR  81           HG1      THR  81  10.440   8.675  -2.290
  653   1HG2  THR  81          HG22      THR  81   8.343   7.773  -3.751
  654   2HG2  THR  81          HG21      THR  81  10.034   7.274  -3.675
  655   3HG2  THR  81          HG23      THR  81   8.752   6.086  -3.439
  656    H    LEU  82           HN       LEU  82   6.056   6.682  -2.901
  657    HA   LEU  82           HA       LEU  82   5.476   4.569  -0.887
  658   1HB   LEU  82           HB2      LEU  82   3.765   6.680  -1.209
  659   2HB   LEU  82           HB1      LEU  82   3.101   5.515  -2.357
  660    HG   LEU  82           HG       LEU  82   3.659   3.946  -0.150
  661   1HD1  LEU  82          HD12      LEU  82   3.880   6.464   0.856
  662   2HD1  LEU  82          HD11      LEU  82   2.151   6.186   1.074
  663   3HD1  LEU  82          HD13      LEU  82   3.321   5.085   1.803
  664   1HD2  LEU  82          HD21      LEU  82   1.408   4.861  -1.653
  665   2HD2  LEU  82          HD23      LEU  82   1.524   3.417  -0.646
  666   3HD2  LEU  82          HD22      LEU  82   0.977   4.940   0.056
  667    H    TRP  83           HN       TRP  83   6.763   3.254  -2.379
  668    HA   TRP  83           HA       TRP  83   6.213   2.883  -5.137
  669   1HB   TRP  83           HB2      TRP  83   7.090   0.849  -3.064
  670   2HB   TRP  83           HB1      TRP  83   7.121   0.567  -4.802
  671    HD1  TRP  83           HD1      TRP  83   8.794   2.638  -2.061
  672    HE1  TRP  83           HE1      TRP  83  11.029   3.600  -2.963
  673    HE3  TRP  83           HE3      TRP  83   8.382   1.259  -6.961
  674    HZ2  TRP  83           HZ2      TRP  83  12.417   3.744  -5.463
  675    HZ3  TRP  83           HZ3      TRP  83  10.173   1.820  -8.580
  676    HH2  TRP  83           HH2      TRP  83  12.189   3.060  -7.838
  677    H    PHE  84           HN       PHE  84   4.195   2.510  -5.956
  678    HA   PHE  84           HA       PHE  84   2.197   0.999  -4.394
  679   1HB   PHE  84           HB2      PHE  84   2.182   2.675  -6.871
  680   2HB   PHE  84           HB1      PHE  84   0.916   1.465  -6.684
  681    HD1  PHE  84           HD1      PHE  84  -0.691   1.570  -4.846
  682    HD2  PHE  84           HD2      PHE  84   2.316   4.594  -5.359
  683    HE1  PHE  84           HE1      PHE  84  -1.919   3.055  -3.287
  684    HE2  PHE  84           HE2      PHE  84   1.088   6.079  -3.798
  685    HZ   PHE  84           HZ       PHE  84  -1.032   5.307  -2.764
  686    H    TRP  85           HN       TRP  85   3.790  -0.973  -4.688
  687    HA   TRP  85           HA       TRP  85   3.872  -2.188  -7.319
  688   1HB   TRP  85           HB2      TRP  85   4.523  -3.133  -4.534
  689   2HB   TRP  85           HB1      TRP  85   4.493  -4.273  -5.880
  690    HD1  TRP  85           HD1      TRP  85   6.594  -1.632  -4.290
  691    HE1  TRP  85           HE1      TRP  85   8.759  -1.235  -5.664
  692    HE3  TRP  85           HE3      TRP  85   5.412  -4.279  -8.492
  693    HZ2  TRP  85           HZ2      TRP  85   9.804  -1.973  -8.235
  694    HZ3  TRP  85           HZ3      TRP  85   7.007  -4.416 -10.385
  695    HH2  TRP  85           HH2      TRP  85   9.200  -3.269 -10.258
  696    H    LEU  86           HN       LEU  86   1.559  -2.143  -7.910
  697    HA   LEU  86           HA       LEU  86  -0.406  -3.491  -6.297
  698   1HB   LEU  86           HB2      LEU  86  -0.271  -2.495  -9.105
  699   2HB   LEU  86           HB1      LEU  86  -1.527  -3.667  -8.709
  700    HG   LEU  86           HG       LEU  86  -2.424  -1.462  -8.363
  701   1HD1  LEU  86          HD11      LEU  86  -2.536  -3.418  -6.499
  702   2HD1  LEU  86          HD13      LEU  86  -1.827  -2.123  -5.531
  703   3HD1  LEU  86          HD12      LEU  86  -3.384  -1.882  -6.325
  704   1HD2  LEU  86          HD23      LEU  86  -0.189  -0.360  -8.128
  705   2HD2  LEU  86          HD22      LEU  86  -1.356   0.177  -6.920
  706   3HD2  LEU  86          HD21      LEU  86  -0.101  -0.983  -6.482
  707    H    VAL  87           HN       VAL  87  -0.801  -5.622  -6.090
  708    HA   VAL  87           HA       VAL  87   0.547  -7.469  -8.008
  709    HB   VAL  87           HB       VAL  87   1.146  -8.820  -6.268
  710   1HG1  VAL  87          HG12      VAL  87   0.383  -6.293  -4.790
  711   2HG1  VAL  87          HG11      VAL  87   1.290  -7.611  -4.048
  712   3HG1  VAL  87          HG13      VAL  87   1.971  -6.733  -5.418
  713   1HG2  VAL  87          HG23      VAL  87  -1.533  -8.158  -5.008
  714   2HG2  VAL  87          HG22      VAL  87  -1.085  -9.657  -5.820
  715   3HG2  VAL  87          HG21      VAL  87  -0.350  -9.240  -4.277
  716    H    GLU  88           HN       GLU  88  -0.960  -9.775  -7.751
  717    HA   GLU  88           HA       GLU  88  -3.792  -9.032  -7.675
  718   1HB   GLU  88           HB2      GLU  88  -2.310  -9.264 -10.233
  719   2HB   GLU  88           HB1      GLU  88  -3.934  -9.953 -10.179
  720   1HG   GLU  88           HG2      GLU  88  -4.171  -7.487  -8.860
  721   2HG   GLU  88           HG1      GLU  88  -3.131  -7.151 -10.245
  722    H    ARG  89           HN       ARG  89  -1.620 -11.408  -7.033
  723    HA   ARG  89           HA       ARG  89  -3.769 -13.374  -6.903
  724   1HB   ARG  89           HB2      ARG  89  -2.945 -15.027  -8.396
  725   2HB   ARG  89           HB1      ARG  89  -2.919 -13.517  -9.304
  726   1HG   ARG  89           HG2      ARG  89  -0.740 -13.890  -9.712
  727   2HG   ARG  89           HG1      ARG  89  -0.435 -13.645  -7.998
  728   1HD   ARG  89           HD2      ARG  89   0.466 -15.801  -8.524
  729   2HD   ARG  89           HD1      ARG  89  -1.047 -16.103  -7.671
  730    HE   ARG  89           HE       ARG  89  -1.784 -16.060 -10.345
  731   1HH1  ARG  89          HH21      ARG  89   1.252 -17.146  -9.929
  732   2HH1  ARG  89          HH22      ARG  89   0.943 -18.820 -10.247
  733   1HH2  ARG  89          HH11      ARG  89  -2.505 -18.479 -10.114
  734   2HH2  ARG  89          HH12      ARG  89  -1.184 -19.574 -10.353
  735    H    TRP  90           HN       TRP  90  -2.938 -12.858  -4.666
  736    HA   TRP  90           HA       TRP  90  -0.353 -14.021  -3.939
  737   1HB   TRP  90           HB2      TRP  90  -0.925 -13.405  -1.680
  738   2HB   TRP  90           HB1      TRP  90  -1.326 -12.055  -2.743
  739    HD1  TRP  90           HD1      TRP  90  -2.987 -15.005  -0.919
  740    HE1  TRP  90           HE1      TRP  90  -5.473 -14.439  -0.467
  741    HE3  TRP  90           HE3      TRP  90  -3.325 -10.523  -3.382
  742    HZ2  TRP  90           HZ2      TRP  90  -7.321 -12.370  -1.076
  743    HZ3  TRP  90           HZ3      TRP  90  -5.487  -9.284  -3.413
  744    HH2  TRP  90           HH2      TRP  90  -7.470 -10.204  -2.267
  745    H    GLU  91           HN       GLU  91  -0.216 -15.760  -2.256
  746    HA   GLU  91           HA       GLU  91  -1.997 -17.981  -2.983
  747   1HB   GLU  91           HB2      GLU  91  -0.432 -19.382  -1.987
  748   2HB   GLU  91           HB1      GLU  91   0.595 -18.015  -2.391
  749   1HG   GLU  91           HG2      GLU  91   0.049 -17.117  -0.041
  750   2HG   GLU  91           HG1      GLU  91  -0.572 -18.733   0.299
  751    H    GLY  92           HN       GLY  92  -3.656 -18.778  -1.759
  752   1HA   GLY  92           HA2      GLY  92  -5.436 -18.559  -0.205
  753   2HA   GLY  92           HA1      GLY  92  -4.126 -18.962   0.896
  754    H    GLU  93           HN       GLU  93  -2.952 -17.122   1.877
  755    HA   GLU  93           HA       GLU  93  -4.802 -14.849   2.379
  756   1HB   GLU  93           HB2      GLU  93  -2.353 -14.874   3.975
  757   2HB   GLU  93           HB1      GLU  93  -4.028 -14.855   4.508
  758   1HG   GLU  93           HG2      GLU  93  -4.191 -17.265   4.303
  759   2HG   GLU  93           HG1      GLU  93  -2.599 -17.354   3.555
  760    HA   PRO  94           HA       PRO  94  -2.140 -12.070   0.184
  761   1HB   PRO  94           HB2      PRO  94  -2.887  -9.744   1.484
  762   2HB   PRO  94           HB1      PRO  94  -3.857 -10.527   0.226
  763   1HG   PRO  94           HG2      PRO  94  -4.318 -10.422   3.146
  764   2HG   PRO  94           HG1      PRO  94  -5.475 -10.732   1.850
  765   1HD   PRO  94           HD2      PRO  94  -4.308 -12.663   3.593
  766   2HD   PRO  94           HD1      PRO  94  -5.292 -12.997   2.153
  767    H    TRP  95           HN       TRP  95  -1.068  -9.684   1.259
  768    HA   TRP  95           HA       TRP  95   0.128  -9.850   3.792
  769   1HB   TRP  95           HB2      TRP  95   2.362 -10.647   3.373
  770   2HB   TRP  95           HB1      TRP  95   1.232 -11.874   2.818
  771    HD1  TRP  95           HD1      TRP  95   0.654  -9.940   0.102
  772    HE1  TRP  95           HE1      TRP  95   2.333 -10.231  -1.844
  773    HE3  TRP  95           HE3      TRP  95   4.519 -12.106   2.641
  774    HZ2  TRP  95           HZ2      TRP  95   4.993 -11.281  -2.231
  775    HZ3  TRP  95           HZ3      TRP  95   6.600 -12.752   1.455
  776    HH2  TRP  95           HH2      TRP  95   6.838 -12.337  -0.972
  777    H    GLY  96           HN       GLY  96   0.958  -7.874   4.248
  778   1HA   GLY  96           HA2      GLY  96   2.629  -6.205   2.911
  779   2HA   GLY  96           HA1      GLY  96   1.123  -5.935   2.034
  780    H    LYS  97           HN       LYS  97  -0.667  -6.171   4.226
  781    HA   LYS  97           HA       LYS  97  -0.939  -3.594   5.154
  782   1HB   LYS  97           HB2      LYS  97  -1.655  -5.037   7.435
  783   2HB   LYS  97           HB1      LYS  97  -2.717  -4.595   6.106
  784   1HG   LYS  97           HG2      LYS  97  -2.821  -7.015   6.601
  785   2HG   LYS  97           HG1      LYS  97  -2.218  -6.717   4.975
  786   1HD   LYS  97           HD2      LYS  97  -0.536  -8.122   5.590
  787   2HD   LYS  97           HD1      LYS  97   0.110  -6.706   6.421
  788   1HE   LYS  97           HE2      LYS  97  -1.385  -7.424   8.402
  789   2HE   LYS  97           HE1      LYS  97  -1.515  -8.973   7.572
  790   1HZ   LYS  97           HZ1      LYS  97   1.047  -8.779   7.458
  791   2HZ   LYS  97           HZ3      LYS  97   0.855  -7.688   8.743
  792   3HZ   LYS  97           HZ2      LYS  97   0.310  -9.289   8.901
  793    H    GLU  98           HN       GLU  98   0.695  -2.359   5.933
  794    HA   GLU  98           HA       GLU  98   2.809  -3.481   7.601
  795   1HB   GLU  98           HB2      GLU  98   3.425  -1.681   6.158
  796   2HB   GLU  98           HB1      GLU  98   2.114  -0.663   6.749
  797   1HG   GLU  98           HG2      GLU  98   3.990   0.170   7.902
  798   2HG   GLU  98           HG1      GLU  98   3.269  -0.927   9.076
  799    H    GLY  99           HN       GLY  99   1.578  -4.290   9.426
  800   1HA   GLY  99           HA2      GLY  99   0.610  -4.117  11.555
  801   2HA   GLY  99           HA1      GLY  99   1.325  -2.504  11.618
  802    H    GLN 100           HN       GLN 100  -0.929  -3.473   9.120
  803    HA   GLN 100           HA       GLN 100  -3.007  -1.729  10.378
  804   1HB   GLN 100           HB2      GLN 100  -3.444  -0.667   8.323
  805   2HB   GLN 100           HB1      GLN 100  -1.688  -0.801   8.326
  806   1HG   GLN 100           HG2      GLN 100  -1.791  -2.788   6.921
  807   2HG   GLN 100           HG1      GLN 100  -3.553  -2.790   7.003
  808   1HE2  GLN 100          HE22      GLN 100  -3.370  -0.992   3.935
  809   2HE2  GLN 100          HE21      GLN 100  -3.726  -2.490   4.651
  810    HA   PRO 101           HA       PRO 101  -5.857  -4.977   9.591
  811   1HB   PRO 101           HB2      PRO 101  -8.063  -3.446   8.749
  812   2HB   PRO 101           HB1      PRO 101  -7.628  -3.808  10.425
  813   1HG   PRO 101           HG2      PRO 101  -7.468  -1.255   9.042
  814   2HG   PRO 101           HG1      PRO 101  -7.166  -1.598  10.749
  815   1HD   PRO 101           HD2      PRO 101  -5.225  -1.098   8.648
  816   2HD   PRO 101           HD1      PRO 101  -4.934  -1.329  10.382
  817    H    GLY 102           HN       GLY 102  -4.186  -4.509   7.254
  818   1HA   GLY 102           HA2      GLY 102  -5.408  -4.004   4.822
  819   2HA   GLY 102           HA1      GLY 102  -4.199  -5.275   5.025
  820    H    GLU 103           HN       GLU 103  -7.211  -4.818   3.881
  821    HA   GLU 103           HA       GLU 103  -7.897  -7.670   4.276
  822   1HB   GLU 103           HB2      GLU 103 -10.088  -7.277   5.101
  823   2HB   GLU 103           HB1      GLU 103  -9.042  -6.239   6.066
  824   1HG   GLU 103           HG2      GLU 103 -10.252  -4.455   5.435
  825   2HG   GLU 103           HG1      GLU 103  -9.823  -4.749   3.751
  826    H    TRP 104           HN       TRP 104  -9.079  -8.536   2.521
  827    HA   TRP 104           HA       TRP 104  -8.801  -7.311   0.003
  828   1HB   TRP 104           HB2      TRP 104 -11.181  -9.072   0.528
  829   2HB   TRP 104           HB1      TRP 104 -10.133  -9.014  -0.890
  830    HD1  TRP 104           HD1      TRP 104  -7.476  -9.779  -0.341
  831    HE1  TRP 104           HE1      TRP 104  -6.656 -11.799   1.061
  832    HE3  TRP 104           HE3      TRP 104 -11.692 -10.645   2.406
  833    HZ2  TRP 104           HZ2      TRP 104  -7.702 -13.529   3.094
  834    HZ3  TRP 104           HZ3      TRP 104 -11.754 -12.483   4.068
  835    HH2  TRP 104           HH2      TRP 104  -9.766 -13.926   4.416
  836    H    MET 105           HN       MET 105 -10.071  -5.881  -1.162
  837    HA   MET 105           HA       MET 105 -12.635  -5.027   0.097
  838   1HB   MET 105           HB2      MET 105 -10.502  -3.524   0.597
  839   2HB   MET 105           HB1      MET 105 -10.828  -2.917  -1.025
  840   1HG   MET 105           HG2      MET 105 -12.515  -2.703   1.453
  841   2HG   MET 105           HG1      MET 105 -12.091  -1.460   0.282
  842   1HE   MET 105           HE3      MET 105 -13.895  -0.388  -0.607
  843   2HE   MET 105           HE2      MET 105 -15.516  -1.015  -0.883
  844   3HE   MET 105           HE1      MET 105 -14.876  -0.938   0.757
  845    H    SER 106           HN       SER 106 -14.049  -5.543  -1.505
  846    HA   SER 106           HA       SER 106 -13.275  -5.358  -4.316
  847   1HB   SER 106           HB2      SER 106 -16.069  -5.688  -4.128
  848   2HB   SER 106           HB1      SER 106 -14.870  -6.942  -4.427
  849    HG   SER 106           HG       SER 106 -16.411  -6.864  -2.410
  850    H    LEU 107           HN       LEU 107 -13.007  -2.855  -3.163
  851    HA   LEU 107           HA       LEU 107 -15.343  -1.219  -3.354
  852   1HB   LEU 107           HB2      LEU 107 -13.947   0.275  -2.427
  853   2HB   LEU 107           HB1      LEU 107 -12.680  -0.932  -2.534
  854    HG   LEU 107           HG       LEU 107 -11.889   1.114  -3.490
  855   1HD1  LEU 107          HD13      LEU 107 -12.088  -1.317  -4.975
  856   2HD1  LEU 107          HD12      LEU 107 -12.159   0.037  -6.101
  857   3HD1  LEU 107          HD11      LEU 107 -10.797  -0.121  -4.997
  858   1HD2  LEU 107          HD21      LEU 107 -14.560   1.386  -4.393
  859   2HD2  LEU 107          HD23      LEU 107 -13.246   2.555  -4.504
  860   3HD2  LEU 107          HD22      LEU 107 -13.515   1.408  -5.816
  861    H    VAL 108           HN       VAL 108 -13.490  -2.752  -5.709
  862    HA   VAL 108           HA       VAL 108 -13.572  -2.732  -8.045
  863    HB   VAL 108           HB       VAL 108 -15.983  -0.966  -7.980
  864   1HG1  VAL 108          HG11      VAL 108 -14.961  -3.341  -9.512
  865   2HG1  VAL 108          HG13      VAL 108 -16.693  -3.001  -9.491
  866   3HG1  VAL 108          HG12      VAL 108 -15.567  -1.799 -10.122
  867   1HG2  VAL 108          HG22      VAL 108 -15.662  -3.565  -6.552
  868   2HG2  VAL 108          HG21      VAL 108 -16.728  -2.209  -6.188
  869   3HG2  VAL 108          HG23      VAL 108 -17.146  -3.337  -7.478
  870    H    GLY 109           HN       GLY 109 -12.223  -1.562  -9.275
  871   1HA   GLY 109           HA2      GLY 109 -10.908   0.312  -9.869
  872   2HA   GLY 109           HA1      GLY 109 -12.481   0.971 -10.284
  873    H    LEU 110           HN       LEU 110 -10.275   0.536  -7.530
  874    HA   LEU 110           HA       LEU 110 -11.427   1.978  -5.542
  875   1HB   LEU 110           HB2      LEU 110  -8.794   1.255  -6.143
  876   2HB   LEU 110           HB1      LEU 110  -8.750   3.012  -5.918
  877    HG   LEU 110           HG       LEU 110 -10.199   1.243  -3.972
  878   1HD1  LEU 110          HD13      LEU 110  -7.279   1.696  -4.269
  879   2HD1  LEU 110          HD12      LEU 110  -7.943   1.798  -2.638
  880   3HD1  LEU 110          HD11      LEU 110  -8.141   0.322  -3.579
  881   1HD2  LEU 110          HD23      LEU 110  -9.599   4.068  -4.323
  882   2HD2  LEU 110          HD22      LEU 110 -10.763   3.303  -3.247
  883   3HD2  LEU 110          HD21      LEU 110  -9.082   3.481  -2.742
  884    H    ASN 111           HN       ASN 111 -11.355   4.277  -4.895
  885    HA   ASN 111           HA       ASN 111 -10.855   6.253  -7.029
  886   1HB   ASN 111           HB2      ASN 111 -13.392   5.098  -6.629
  887   2HB   ASN 111           HB1      ASN 111 -13.491   6.721  -5.944
  888   1HD2  ASN 111          HD22      ASN 111 -13.488   8.295  -9.100
  889   2HD2  ASN 111          HD21      ASN 111 -13.627   8.464  -7.418
  890    H    ALA 112           HN       ALA 112 -10.495   8.309  -6.165
  891    HA   ALA 112           HA       ALA 112  -9.618   8.706  -3.570
  892   1HB   ALA 112           HB1      ALA 112 -10.206  10.376  -5.771
  893   2HB   ALA 112           HB3      ALA 112 -11.070  11.062  -4.398
  894   3HB   ALA 112           HB2      ALA 112  -9.327  10.816  -4.309
  895    H    ASP 113           HN       ASP 113 -12.899   8.531  -4.742
  896    HA   ASP 113           HA       ASP 113 -14.448   9.719  -2.790
  897   1HB   ASP 113           HB2      ASP 113 -14.822   7.698  -4.721
  898   2HB   ASP 113           HB1      ASP 113 -15.392   7.005  -3.204
  899    H    ASP 114           HN       ASP 114 -13.079   6.430  -2.557
  900    HA   ASP 114           HA       ASP 114 -13.526   6.482   0.377
  901   1HB   ASP 114           HB2      ASP 114 -12.834   4.309  -1.610
  902   2HB   ASP 114           HB1      ASP 114 -12.732   4.053   0.132
  903    H    PHE 115           HN       PHE 115 -11.131   7.133  -1.908
  904    HA   PHE 115           HA       PHE 115  -8.861   6.317  -0.213
  905   1HB   PHE 115           HB2      PHE 115  -9.331   7.003  -3.011
  906   2HB   PHE 115           HB1      PHE 115  -7.925   7.841  -2.371
  907    HD1  PHE 115           HD2      PHE 115  -7.233   5.644  -0.314
  908    HD2  PHE 115           HD1      PHE 115  -8.132   5.530  -4.484
  909    HE1  PHE 115           HE2      PHE 115  -5.899   3.575  -0.518
  910    HE2  PHE 115           HE1      PHE 115  -6.798   3.454  -4.711
  911    HZ   PHE 115           HZ       PHE 115  -5.677   2.474  -2.729
  912    HA   PRO 116           HA       PRO 116  -8.667  10.303   1.751
  913   1HB   PRO 116           HB2      PRO 116  -5.898   9.899   2.410
  914   2HB   PRO 116           HB1      PRO 116  -7.299   9.704   3.466
  915   1HG   PRO 116           HG2      PRO 116  -5.630   7.635   2.430
  916   2HG   PRO 116           HG1      PRO 116  -7.126   7.433   3.351
  917   1HD   PRO 116           HD2      PRO 116  -6.666   7.044   0.496
  918   2HD   PRO 116           HD1      PRO 116  -8.086   6.586   1.462
  919    HA   PRO 117           HA       PRO 117  -6.815  12.947  -1.248
  920   1HB   PRO 117           HB2      PRO 117  -6.105  14.985   0.635
  921   2HB   PRO 117           HB1      PRO 117  -7.534  14.924  -0.405
  922   1HG   PRO 117           HG2      PRO 117  -7.419  14.552   2.456
  923   2HG   PRO 117           HG1      PRO 117  -8.845  14.500   1.410
  924   1HD   PRO 117           HD2      PRO 117  -7.497  12.283   2.692
  925   2HD   PRO 117           HD1      PRO 117  -8.955  12.241   1.681
  926    H    ALA 118           HN       ALA 118  -5.043  12.467   1.800
  927    HA   ALA 118           HA       ALA 118  -2.545  13.484   1.330
  928   1HB   ALA 118           HB1      ALA 118  -3.389  11.859   3.201
  929   2HB   ALA 118           HB3      ALA 118  -2.719  10.602   2.159
  930   3HB   ALA 118           HB2      ALA 118  -1.674  11.878   2.788
  931    H    ASN 119           HN       ASN 119  -3.709  10.387  -0.015
  932    HA   ASN 119           HA       ASN 119  -1.334  10.349  -1.801
  933   1HB   ASN 119           HB2      ASN 119  -3.101   8.319  -0.627
  934   2HB   ASN 119           HB1      ASN 119  -2.800   8.065  -2.349
  935   1HD2  ASN 119          HD22      ASN 119   0.586   8.282  -0.014
  936   2HD2  ASN 119          HD21      ASN 119  -0.672   9.392   0.253
  937    H    GLU 120           HN       GLU 120  -2.828  12.362  -2.551
  938    HA   GLU 120           HA       GLU 120  -5.036  11.794  -4.303
  939   1HB   GLU 120           HB2      GLU 120  -3.576  14.089  -3.382
  940   2HB   GLU 120           HB1      GLU 120  -3.774  14.188  -5.131
  941   1HG   GLU 120           HG2      GLU 120  -6.247  13.497  -4.639
  942   2HG   GLU 120           HG1      GLU 120  -5.894  14.050  -3.001
  943    HA   PRO 121           HA       PRO 121  -1.585  12.552  -7.726
  944   1HB   PRO 121           HB2      PRO 121   0.699  11.164  -6.558
  945   2HB   PRO 121           HB1      PRO 121   0.622  12.780  -7.273
  946   1HG   PRO 121           HG2      PRO 121   0.835  12.182  -4.515
  947   2HG   PRO 121           HG1      PRO 121   0.464  13.763  -5.218
  948   1HD   PRO 121           HD2      PRO 121  -1.297  11.972  -3.771
  949   2HD   PRO 121           HD1      PRO 121  -1.632  13.620  -4.336
  950    H    VAL 122           HN       VAL 122  -1.452   9.613  -5.705
  951    HA   VAL 122           HA       VAL 122  -1.399   8.020  -8.211
  952    HB   VAL 122           HB       VAL 122  -0.737   7.516  -5.355
  953   1HG1  VAL 122          HG13      VAL 122  -1.841   5.453  -7.262
  954   2HG1  VAL 122          HG12      VAL 122  -0.722   5.003  -5.977
  955   3HG1  VAL 122          HG11      VAL 122  -2.278   5.729  -5.576
  956   1HG2  VAL 122          HG21      VAL 122   0.868   7.991  -7.326
  957   2HG2  VAL 122          HG23      VAL 122   1.258   6.633  -6.271
  958   3HG2  VAL 122          HG22      VAL 122   0.506   6.344  -7.840
  959    H    ILE 123           HN       ILE 123  -3.434   8.702  -5.414
  960    HA   ILE 123           HA       ILE 123  -5.387   6.680  -5.837
  961    HB   ILE 123           HB       ILE 123  -5.511   9.448  -4.635
  962   1HG1  ILE 123          HG12      ILE 123  -6.026   6.744  -3.394
  963   2HG1  ILE 123          HG11      ILE 123  -4.410   7.419  -3.510
  964   1HG2  ILE 123          HG21      ILE 123  -7.778   7.444  -4.887
  965   2HG2  ILE 123          HG23      ILE 123  -7.816   8.903  -3.898
  966   3HG2  ILE 123          HG22      ILE 123  -7.709   9.031  -5.653
  967   1HD1  ILE 123          HD12      ILE 123  -6.421   9.289  -2.447
  968   2HD1  ILE 123          HD11      ILE 123  -6.134   7.877  -1.428
  969   3HD1  ILE 123          HD13      ILE 123  -4.794   8.937  -1.865
  970    H    ALA 124           HN       ALA 124  -4.733   9.698  -7.428
  971    HA   ALA 124           HA       ALA 124  -7.172  10.117  -8.818
  972   1HB   ALA 124           HB2      ALA 124  -4.768  11.393  -8.688
  973   2HB   ALA 124           HB1      ALA 124  -4.669  10.667 -10.291
  974   3HB   ALA 124           HB3      ALA 124  -6.001  11.754  -9.896
  975    H    LYS 125           HN       LYS 125  -4.426   8.059  -9.446
  976    HA   LYS 125           HA       LYS 125  -5.309   7.227 -12.083
  977   1HB   LYS 125           HB2      LYS 125  -3.286   5.914 -10.254
  978   2HB   LYS 125           HB1      LYS 125  -3.412   5.730 -12.007
  979   1HG   LYS 125           HG2      LYS 125  -2.754   8.275 -10.497
  980   2HG   LYS 125           HG1      LYS 125  -1.661   7.341 -11.522
  981   1HD   LYS 125           HD2      LYS 125  -4.187   8.735 -12.449
  982   2HD   LYS 125           HD1      LYS 125  -2.539   9.292 -12.741
  983   1HE   LYS 125           HE2      LYS 125  -2.317   6.780 -13.695
  984   2HE   LYS 125           HE1      LYS 125  -4.033   7.051 -14.005
  985   1HZ   LYS 125           HZ2      LYS 125  -1.944   8.998 -14.790
  986   2HZ   LYS 125           HZ1      LYS 125  -2.454   7.746 -15.817
  987   3HZ   LYS 125           HZ3      LYS 125  -3.560   8.928 -15.310
  988    H    LEU 126           HN       LEU 126  -5.604   5.889  -8.789
  989    HA   LEU 126           HA       LEU 126  -6.649   3.343  -9.667
  990   1HB   LEU 126           HB2      LEU 126  -7.096   4.834  -7.060
  991   2HB   LEU 126           HB1      LEU 126  -7.597   3.169  -7.364
  992    HG   LEU 126           HG       LEU 126  -5.514   2.380  -6.952
  993   1HD1  LEU 126          HD13      LEU 126  -4.811   3.260  -9.229
  994   2HD1  LEU 126          HD12      LEU 126  -4.230   4.705  -8.405
  995   3HD1  LEU 126          HD11      LEU 126  -3.512   3.137  -8.046
  996   1HD2  LEU 126          HD21      LEU 126  -5.798   4.871  -5.632
  997   2HD2  LEU 126          HD23      LEU 126  -4.789   3.507  -5.150
  998   3HD2  LEU 126          HD22      LEU 126  -4.123   4.774  -6.180
  999    H    LYS 127           HN       LYS 127  -7.985   6.496  -9.011
 1000    HA   LYS 127           HA       LYS 127 -10.728   6.074  -8.959
 1001   1HB   LYS 127           HB2      LYS 127  -9.392   8.103 -10.772
 1002   2HB   LYS 127           HB1      LYS 127 -10.934   8.272  -9.917
 1003   1HG   LYS 127           HG2      LYS 127  -9.271   7.794  -7.818
 1004   2HG   LYS 127           HG1      LYS 127  -8.165   8.597  -8.930
 1005   1HD   LYS 127           HD2      LYS 127  -9.359  10.183  -7.386
 1006   2HD   LYS 127           HD1      LYS 127  -9.590  10.534  -9.096
 1007   1HE   LYS 127           HE2      LYS 127 -11.789   9.686  -9.100
 1008   2HE   LYS 127           HE1      LYS 127 -11.535   8.780  -7.611
 1009   1HZ   LYS 127           HZ3      LYS 127 -11.151  11.635  -7.380
 1010   2HZ   LYS 127           HZ2      LYS 127 -12.743  11.165  -7.747
 1011   3HZ   LYS 127           HZ1      LYS 127 -11.974  10.564  -6.355
 1012    H    ARG 128           HN       ARG 128  -8.442   5.691 -11.541
 1013    HA   ARG 128           HA       ARG 128 -10.496   5.259 -13.605
 1014   1HB   ARG 128           HB2      ARG 128  -7.607   4.704 -14.073
 1015   2HB   ARG 128           HB1      ARG 128  -8.774   5.510 -15.117
 1016   1HG   ARG 128           HG2      ARG 128  -8.655   7.268 -13.028
 1017   2HG   ARG 128           HG1      ARG 128  -6.998   6.649 -13.039
 1018   1HD   ARG 128           HD2      ARG 128  -6.547   7.988 -14.789
 1019   2HD   ARG 128           HD1      ARG 128  -7.719   7.086 -15.749
 1020    HE   ARG 128           HE       ARG 128  -9.271   8.864 -14.287
 1021   1HH1  ARG 128          HH21      ARG 128  -7.044  10.777 -14.274
 1022   2HH1  ARG 128          HH22      ARG 128  -7.220  11.601 -15.788
 1023   1HH2  ARG 128          HH11      ARG 128  -9.290   9.187 -17.164
 1024   2HH2  ARG 128          HH12      ARG 128  -8.491  10.701 -17.422
 1025    H    LEU 129           HN       LEU 129  -8.145   3.420 -11.713
 1026    HA   LEU 129           HA       LEU 129  -7.592   1.050 -12.557
 1027   1HB   LEU 129           HB2      LEU 129  -8.875   1.808 -10.088
 1028   2HB   LEU 129           HB1      LEU 129  -9.317   0.166 -10.538
 1029    HG   LEU 129           HG       LEU 129  -7.082  -0.547 -10.614
 1030   1HD1  LEU 129          HD12      LEU 129  -6.580   2.227 -11.231
 1031   2HD1  LEU 129          HD11      LEU 129  -5.525   1.709  -9.917
 1032   3HD1  LEU 129          HD13      LEU 129  -5.512   0.841 -11.451
 1033   1HD2  LEU 129          HD22      LEU 129  -8.160   0.687  -8.305
 1034   2HD2  LEU 129          HD21      LEU 129  -6.949  -0.593  -8.367
 1035   3HD2  LEU 129          HD23      LEU 129  -6.447   1.096  -8.336
 1036   3HOG  APC 130           H5T      ATP 130   5.222   1.533  11.079
 1037   1H3A  APC 130           H3P      ATP 130   8.704   2.671   7.723
 1038   2H3A  APC 130          H3P'      ATP 130   7.941   3.329   9.193
 1039   1H5*  APC 130           H5'      ATP 130   8.503   4.457   7.264
 1040   2H5*  APC 130          H5''      ATP 130   9.568   5.768   6.731
 1041    H4*  APC 130           H4'      ATP 130   8.700   6.812   9.079
 1042    H3*  APC 130           H3'      ATP 130   6.814   4.690   8.302
 1043   *HO3  APC 130          H3''      ATP 130   7.842   5.794  10.584
 1044    H2*  APC 130          H2''      ATP 130   5.013   5.949   7.917
 1045   *HO2  APC 130           H2'      ATP 130   4.261   7.237   9.429
 1046    H1*  APC 130           H1'      ATP 130   6.180   8.581   7.915
 1047    H8   APC 130           H8       ATP 130   5.945   5.509   5.548
 1048    H2   APC 130           H2       ATP 130   3.820  11.535   5.484
 1049   1HN6  APC 130           H61      ATP 130   2.955   7.435   2.296
 1050   2HN6  APC 130           H62      ATP 130   2.263   9.031   2.103
 1051   1HN1  CON 131          H1N1      ATP 130  11.819   2.493  12.061
 1052   2HN1  CON 131          H2N1      ATP 130  12.205   1.449  13.160
 1053   3HN1  CON 131          H3N1      ATP 130  11.483   2.773  13.560
 1054   1HN2  CON 131          H1N2      ATP 130   8.768   0.451  14.991
 1055   2HN2  CON 131          H2N2      ATP 130  10.310   0.653  15.129
 1056   3HN2  CON 131          H3N2      ATP 130   9.357   1.892  15.139
 1057   1HN3  CON 131          H1N3      ATP 130   9.396   3.736  12.564
 1058   2HN3  CON 131          H2N3      ATP 130   8.320   3.187  13.555
 1059   3HN3  CON 131          H3N3      ATP 130   8.079   3.096  12.014
 1060   1HN4  CON 131          H1N4      ATP 130  11.009  -0.914  13.471
 1061   2HN4  CON 131          H2N4      ATP 130   9.958  -1.404  12.421
 1062   3HN4  CON 131          H3N4      ATP 130  11.287  -0.734  11.942
 1063   1HO1  MO2 132          H1O1      MG  131   9.580  -2.343   7.073
 1064   2HO1  MO2 132          H2O1      MG  131   8.852  -2.023   8.357
 1065   1HO2  MO2 132          H1O2      MG  131   6.877  -4.121   9.681
 1066   2HO2  MO2 132          H2O2      MG  131   7.328  -5.448   9.121
   
  No H/Q in entry =        1066
  Start of MODEL   11
    1   1H    MET   1           HT1      MET   1  18.706  15.752   2.969
    2   2H    MET   1           HT3      MET   1  17.436  16.438   2.079
    3   3H    MET   1           HT2      MET   1  18.405  17.422   3.071
    4    HA   MET   1           HA       MET   1  17.505  16.571   5.034
    5   1HB   MET   1           HB2      MET   1  15.828  17.610   2.985
    6   2HB   MET   1           HB1      MET   1  14.915  16.345   3.810
    7   1HG   MET   1           HG2      MET   1  14.650  18.592   4.880
    8   2HG   MET   1           HG1      MET   1  15.332  17.384   5.970
    9   1HE   MET   1           HE1      MET   1  16.807  17.532   7.202
   10   2HE   MET   1           HE3      MET   1  18.481  17.725   6.665
   11   3HE   MET   1           HE2      MET   1  17.701  18.995   7.606
   12    H    LYS   2           HN       LYS   2  16.411  14.846   6.169
   13    HA   LYS   2           HA       LYS   2  17.012  12.240   5.328
   14   1HB   LYS   2           HB2      LYS   2  15.280  11.499   7.004
   15   2HB   LYS   2           HB1      LYS   2  16.454  12.647   7.637
   16   1HG   LYS   2           HG2      LYS   2  14.388  13.486   8.407
   17   2HG   LYS   2           HG1      LYS   2  14.748  14.474   6.993
   18   1HD   LYS   2           HD2      LYS   2  12.359  13.551   7.176
   19   2HD   LYS   2           HD1      LYS   2  13.184  13.298   5.643
   20   1HE   LYS   2           HE2      LYS   2  11.977  11.264   6.576
   21   2HE   LYS   2           HE1      LYS   2  13.678  11.014   6.183
   22   1HZ   LYS   2           HZ1      LYS   2  13.286  11.979   8.850
   23   2HZ   LYS   2           HZ3      LYS   2  12.498  10.501   8.582
   24   3HZ   LYS   2           HZ2      LYS   2  14.170  10.634   8.304
   25    H    LYS   3           HN       LYS   3  15.429  10.485   4.743
   26    HA   LYS   3           HA       LYS   3  12.952  11.293   3.417
   27   1HB   LYS   3           HB2      LYS   3  14.404  11.912   1.616
   28   2HB   LYS   3           HB1      LYS   3  15.385  10.461   1.818
   29   1HG   LYS   3           HG2      LYS   3  13.535   9.052   1.089
   30   2HG   LYS   3           HG1      LYS   3  12.463  10.450   1.003
   31   1HD   LYS   3           HD2      LYS   3  13.315  11.138  -0.993
   32   2HD   LYS   3           HD1      LYS   3  14.970  10.740  -0.528
   33   1HE   LYS   3           HE2      LYS   3  14.036   8.248  -0.719
   34   2HE   LYS   3           HE1      LYS   3  12.896   9.021  -1.822
   35   1HZ   LYS   3           HZ2      LYS   3  14.759   9.941  -3.052
   36   2HZ   LYS   3           HZ1      LYS   3  15.857   9.192  -1.993
   37   3HZ   LYS   3           HZ3      LYS   3  14.863   8.247  -2.988
   38    H    LEU   4           HN       LEU   4  11.746   9.413   2.662
   39    HA   LEU   4           HA       LEU   4  12.840   6.756   3.119
   40   1HB   LEU   4           HB2      LEU   4  11.753   6.110   5.043
   41   2HB   LEU   4           HB1      LEU   4  12.001   7.805   5.423
   42    HG   LEU   4           HG       LEU   4   9.771   7.358   5.986
   43   1HD1  LEU   4          HD12      LEU   4  10.266   8.998   3.676
   44   2HD1  LEU   4          HD11      LEU   4   8.638   8.333   3.632
   45   3HD1  LEU   4          HD13      LEU   4   9.171   9.270   5.026
   46   1HD2  LEU   4          HD23      LEU   4   9.926   5.231   4.326
   47   2HD2  LEU   4          HD22      LEU   4   8.407   5.829   4.991
   48   3HD2  LEU   4          HD21      LEU   4   8.901   6.296   3.364
   49    H    GLN   5           HN       GLN   5  11.621   5.174   2.071
   50    HA   GLN   5           HA       GLN   5   9.269   6.249   0.577
   51   1HB   GLN   5           HB2      GLN   5  11.196   4.041  -0.209
   52   2HB   GLN   5           HB1      GLN   5   9.783   4.523  -1.138
   53   1HG   GLN   5           HG2      GLN   5  11.157   5.998  -2.170
   54   2HG   GLN   5           HG1      GLN   5  11.043   6.940  -0.680
   55   1HE2  GLN   5          HE22      GLN   5  14.338   6.088   0.413
   56   2HE2  GLN   5          HE21      GLN   5  12.829   6.692   0.904
   57    H    ILE   6           HN       ILE   6   7.666   4.483   0.029
   58    HA   ILE   6           HA       ILE   6   7.563   2.481   2.235
   59    HB   ILE   6           HB       ILE   6   5.476   4.428   1.292
   60   1HG1  ILE   6          HG12      ILE   6   6.956   3.751   3.728
   61   2HG1  ILE   6          HG11      ILE   6   6.147   5.252   3.298
   62   1HG2  ILE   6          HG22      ILE   6   4.951   1.728   2.575
   63   2HG2  ILE   6          HG21      ILE   6   3.757   3.021   2.448
   64   3HG2  ILE   6          HG23      ILE   6   4.398   2.265   0.990
   65   1HD1  ILE   6          HD12      ILE   6   4.726   2.773   4.334
   66   2HD1  ILE   6          HD11      ILE   6   5.156   4.163   5.328
   67   3HD1  ILE   6          HD13      ILE   6   3.991   4.344   4.016
   68    H    ALA   7           HN       ALA   7   7.828   0.569   1.248
   69    HA   ALA   7           HA       ALA   7   7.013   0.151  -1.535
   70   1HB   ALA   7           HB3      ALA   7   8.782  -1.097   0.356
   71   2HB   ALA   7           HB2      ALA   7   7.663  -2.310  -0.266
   72   3HB   ALA   7           HB1      ALA   7   8.661  -1.376  -1.381
   73    H    VAL   8           HN       VAL   8   4.691   0.725  -0.766
   74    HA   VAL   8           HA       VAL   8   3.330  -1.383   0.717
   75    HB   VAL   8           HB       VAL   8   2.264   0.656   1.085
   76   1HG1  VAL   8          HG12      VAL   8   3.158   1.238  -1.661
   77   2HG1  VAL   8          HG11      VAL   8   1.606   1.951  -1.229
   78   3HG1  VAL   8          HG13      VAL   8   3.037   2.305  -0.265
   79   1HG2  VAL   8          HG21      VAL   8   0.806  -1.262  -0.175
   80   2HG2  VAL   8          HG23      VAL   8   0.107   0.235   0.441
   81   3HG2  VAL   8          HG22      VAL   8   0.536   0.099  -1.264
   82    H    GLY   9           HN       GLY   9   2.165  -0.120  -2.394
   83   1HA   GLY   9           HA2      GLY   9   1.657  -1.299  -4.368
   84   2HA   GLY   9           HA1      GLY   9   2.589  -2.665  -3.735
   85    H    ILE  10           HN       ILE  10  -0.474  -0.993  -3.556
   86    HA   ILE  10           HA       ILE  10  -1.847  -2.598  -1.726
   87    HB   ILE  10           HB       ILE  10  -3.544  -2.091  -4.050
   88   1HG1  ILE  10          HG12      ILE  10  -2.036   0.266  -2.860
   89   2HG1  ILE  10          HG11      ILE  10  -1.862  -0.321  -4.517
   90   1HG2  ILE  10          HG21      ILE  10  -4.020  -2.370  -1.487
   91   2HG2  ILE  10          HG23      ILE  10  -3.627  -0.652  -1.403
   92   3HG2  ILE  10          HG22      ILE  10  -4.969  -1.202  -2.407
   93   1HD1  ILE  10          HD13      ILE  10  -4.360   0.056  -4.793
   94   2HD1  ILE  10          HD12      ILE  10  -4.328   0.886  -3.237
   95   3HD1  ILE  10          HD11      ILE  10  -3.402   1.523  -4.596
   96    H    ILE  11           HN       ILE  11  -3.248  -4.482  -2.105
   97    HA   ILE  11           HA       ILE  11  -2.240  -6.105  -4.398
   98    HB   ILE  11           HB       ILE  11  -2.648  -8.060  -2.703
   99   1HG1  ILE  11          HG12      ILE  11  -2.390  -5.625  -0.900
  100   2HG1  ILE  11          HG11      ILE  11  -3.760  -6.735  -0.975
  101   1HG2  ILE  11          HG23      ILE  11  -0.434  -6.503  -3.440
  102   2HG2  ILE  11          HG22      ILE  11  -0.335  -6.598  -1.683
  103   3HG2  ILE  11          HG21      ILE  11  -0.378  -8.076  -2.644
  104   1HD1  ILE  11          HD13      ILE  11  -1.143  -8.019  -0.483
  105   2HD1  ILE  11          HD12      ILE  11  -1.722  -6.976   0.815
  106   3HD1  ILE  11          HD11      ILE  11  -2.709  -8.330   0.264
  107    H    ARG  12           HN       ARG  12  -4.133  -5.480  -5.595
  108    HA   ARG  12           HA       ARG  12  -6.807  -6.106  -4.576
  109   1HB   ARG  12           HB2      ARG  12  -6.714  -5.939  -7.458
  110   2HB   ARG  12           HB1      ARG  12  -7.526  -4.866  -6.327
  111   1HG   ARG  12           HG2      ARG  12  -5.239  -3.842  -5.893
  112   2HG   ARG  12           HG1      ARG  12  -4.671  -4.724  -7.299
  113   1HD   ARG  12           HD2      ARG  12  -7.133  -3.004  -7.560
  114   2HD   ARG  12           HD1      ARG  12  -5.540  -2.254  -7.602
  115    HE   ARG  12           HE       ARG  12  -5.349  -4.406  -9.365
  116   1HH1  ARG  12          HH21      ARG  12  -8.214  -3.997  -9.982
  117   2HH1  ARG  12          HH22      ARG  12  -8.166  -2.794 -11.229
  118   1HH2  ARG  12          HH11      ARG  12  -4.898  -1.848 -10.556
  119   2HH2  ARG  12          HH12      ARG  12  -6.280  -1.588 -11.564
  120    H    ASN  13           HN       ASN  13  -8.198  -7.825  -5.914
  121    HA   ASN  13           HA       ASN  13  -6.485  -9.841  -7.148
  122   1HB   ASN  13           HB2      ASN  13  -6.365 -11.383  -5.450
  123   2HB   ASN  13           HB1      ASN  13  -6.301  -9.857  -4.554
  124   1HD2  ASN  13          HD22      ASN  13  -9.056 -12.347  -3.373
  125   2HD2  ASN  13          HD21      ASN  13  -7.507 -12.710  -3.966
  126    H    GLU  14           HN       GLU  14  -9.836  -9.001  -6.224
  127    HA   GLU  14           HA       GLU  14 -10.719 -11.438  -7.698
  128   1HB   GLU  14           HB2      GLU  14 -11.921 -10.925  -5.638
  129   2HB   GLU  14           HB1      GLU  14 -12.283  -9.302  -6.214
  130   1HG   GLU  14           HG2      GLU  14 -13.302 -10.694  -8.271
  131   2HG   GLU  14           HG1      GLU  14 -13.498 -11.904  -7.005
  132    H    ASN  15           HN       ASN  15 -10.675  -8.033  -7.886
  133    HA   ASN  15           HA       ASN  15 -10.884  -7.946 -10.783
  134   1HB   ASN  15           HB2      ASN  15 -13.320  -8.068 -10.078
  135   2HB   ASN  15           HB1      ASN  15 -13.062  -6.609  -9.119
  136   1HD2  ASN  15          HD22      ASN  15 -13.255  -4.450 -11.915
  137   2HD2  ASN  15          HD21      ASN  15 -13.076  -4.590 -10.233
  138    H    ASN  16           HN       ASN  16 -11.270  -6.391  -7.729
  139    HA   ASN  16           HA       ASN  16  -8.891  -4.800  -7.967
  140   1HB   ASN  16           HB2      ASN  16 -10.998  -3.539  -9.083
  141   2HB   ASN  16           HB1      ASN  16 -11.344  -3.178  -7.392
  142   1HD2  ASN  16          HD22      ASN  16  -8.289  -1.247  -6.982
  143   2HD2  ASN  16          HD21      ASN  16  -9.249  -2.364  -6.141
  144    H    GLU  17           HN       GLU  17  -9.941  -7.025  -6.361
  145    HA   GLU  17           HA       GLU  17 -10.851  -5.678  -3.880
  146   1HB   GLU  17           HB2      GLU  17 -10.474  -8.567  -4.637
  147   2HB   GLU  17           HB1      GLU  17 -10.785  -8.081  -2.974
  148   1HG   GLU  17           HG2      GLU  17 -12.818  -8.684  -4.506
  149   2HG   GLU  17           HG1      GLU  17 -12.926  -7.265  -3.471
  150    H    ILE  18           HN       ILE  18  -9.208  -4.539  -3.034
  151    HA   ILE  18           HA       ILE  18  -6.540  -5.750  -2.827
  152    HB   ILE  18           HB       ILE  18  -5.979  -3.496  -1.796
  153   1HG1  ILE  18          HG12      ILE  18  -8.627  -3.228  -1.415
  154   2HG1  ILE  18          HG11      ILE  18  -7.566  -1.839  -1.622
  155   1HG2  ILE  18          HG21      ILE  18  -7.028  -3.827  -4.605
  156   2HG2  ILE  18          HG23      ILE  18  -6.259  -2.332  -4.070
  157   3HG2  ILE  18          HG22      ILE  18  -5.354  -3.845  -4.045
  158   1HD1  ILE  18          HD13      ILE  18  -8.696  -3.078  -4.094
  159   2HD1  ILE  18          HD12      ILE  18  -9.791  -2.139  -3.079
  160   3HD1  ILE  18          HD11      ILE  18  -8.343  -1.385  -3.746
  161    H    PHE  19           HN       PHE  19  -5.452  -6.045  -0.916
  162    HA   PHE  19           HA       PHE  19  -7.105  -6.722   1.430
  163   1HB   PHE  19           HB2      PHE  19  -5.078  -8.052   0.576
  164   2HB   PHE  19           HB1      PHE  19  -4.082  -6.748   1.214
  165    HD1  PHE  19           HD1      PHE  19  -7.162  -8.481   2.498
  166    HD2  PHE  19           HD2      PHE  19  -3.058  -7.418   3.191
  167    HE1  PHE  19           HE1      PHE  19  -7.276  -9.501   4.758
  168    HE2  PHE  19           HE2      PHE  19  -3.179  -8.444   5.447
  169    HZ   PHE  19           HZ       PHE  19  -5.285  -9.471   6.232
  170    H    ILE  20           HN       ILE  20  -7.222  -3.984   0.806
  171    HA   ILE  20           HA       ILE  20  -5.295  -2.475   2.347
  172    HB   ILE  20           HB       ILE  20  -6.302  -1.465   0.368
  173   1HG1  ILE  20          HG12      ILE  20  -7.154   0.633   1.387
  174   2HG1  ILE  20          HG11      ILE  20  -7.307  -0.196   2.935
  175   1HG2  ILE  20          HG23      ILE  20  -8.570  -2.795   1.125
  176   2HG2  ILE  20          HG22      ILE  20  -8.961  -1.148   1.606
  177   3HG2  ILE  20          HG21      ILE  20  -8.537  -1.499  -0.069
  178   1HD1  ILE  20          HD12      ILE  20  -4.800  -0.769   2.634
  179   2HD1  ILE  20          HD11      ILE  20  -4.798   0.511   1.427
  180   3HD1  ILE  20          HD13      ILE  20  -5.217   0.873   3.101
  181    H    THR  21           HN       THR  21  -5.801  -1.181   4.151
  182    HA   THR  21           HA       THR  21  -7.413  -2.464   6.173
  183    HB   THR  21           HB       THR  21  -5.547  -1.160   6.900
  184    HG1  THR  21           HG1      THR  21  -7.972   0.232   7.367
  185   1HG2  THR  21          HG21      THR  21  -6.452   0.606   4.799
  186   2HG2  THR  21          HG23      THR  21  -6.178   1.507   6.291
  187   3HG2  THR  21          HG22      THR  21  -4.879   0.538   5.596
  188    H    ARG  22           HN       ARG  22  -9.517  -2.608   5.385
  189    HA   ARG  22           HA       ARG  22 -10.913  -0.111   4.613
  190   1HB   ARG  22           HB2      ARG  22 -11.148  -1.937   3.037
  191   2HB   ARG  22           HB1      ARG  22 -11.613  -3.047   4.327
  192   1HG   ARG  22           HG2      ARG  22 -13.676  -2.443   3.360
  193   2HG   ARG  22           HG1      ARG  22 -13.560  -1.381   4.765
  194   1HD   ARG  22           HD2      ARG  22 -12.694   0.424   3.363
  195   2HD   ARG  22           HD1      ARG  22 -12.722  -0.633   1.951
  196    HE   ARG  22           HE       ARG  22 -15.340  -0.677   2.884
  197   1HH1  ARG  22          HH11      ARG  22 -13.018   1.655   1.852
  198   2HH1  ARG  22          HH12      ARG  22 -14.205   2.809   1.357
  199   1HH2  ARG  22          HH21      ARG  22 -16.904   0.842   2.282
  200   2HH2  ARG  22          HH22      ARG  22 -16.404   2.349   1.591
  201    H    ARG  23           HN       ARG  23 -12.830   0.506   5.683
  202    HA   ARG  23           HA       ARG  23 -13.072   0.488   8.402
  203   1HB   ARG  23           HB2      ARG  23 -15.752   0.009   7.609
  204   2HB   ARG  23           HB1      ARG  23 -14.984   1.569   7.883
  205   1HG   ARG  23           HG2      ARG  23 -14.308   1.714   5.561
  206   2HG   ARG  23           HG1      ARG  23 -14.859   0.067   5.253
  207   1HD   ARG  23           HD2      ARG  23 -16.958   1.734   6.418
  208   2HD   ARG  23           HD1      ARG  23 -16.366   2.379   4.893
  209    HE   ARG  23           HE       ARG  23 -16.738  -0.315   4.369
  210   1HH1  ARG  23          HH21      ARG  23 -18.491   2.546   4.495
  211   2HH1  ARG  23          HH22      ARG  23 -20.051   1.799   4.413
  212   1HH2  ARG  23          HH11      ARG  23 -18.820  -1.424   4.763
  213   2HH2  ARG  23          HH12      ARG  23 -20.237  -0.449   4.565
  214    H    ALA  24           HN       ALA  24 -12.325  -1.427   9.361
  215    HA   ALA  24           HA       ALA  24 -12.968  -4.053   8.806
  216   1HB   ALA  24           HB2      ALA  24 -11.529  -2.926  10.743
  217   2HB   ALA  24           HB1      ALA  24 -12.979  -3.264  11.690
  218   3HB   ALA  24           HB3      ALA  24 -12.119  -4.581  10.890
  219    H    ALA  25           HN       ALA  25 -14.809  -1.992  11.101
  220    HA   ALA  25           HA       ALA  25 -16.927  -3.982  11.310
  221   1HB   ALA  25           HB2      ALA  25 -16.132  -1.921  12.909
  222   2HB   ALA  25           HB1      ALA  25 -17.516  -1.188  12.096
  223   3HB   ALA  25           HB3      ALA  25 -17.721  -2.682  13.012
  224    H    ASP  26           HN       ASP  26 -19.107  -1.982  11.216
  225    HA   ASP  26           HA       ASP  26 -19.672  -2.211   8.367
  226   1HB   ASP  26           HB2      ASP  26 -21.178  -1.788  10.762
  227   2HB   ASP  26           HB1      ASP  26 -21.521  -0.451   9.667
  228    H    ALA  27           HN       ALA  27 -19.261   0.532  10.624
  229    HA   ALA  27           HA       ALA  27 -18.611   2.745  10.208
  230   1HB   ALA  27           HB1      ALA  27 -17.145   1.113   8.193
  231   2HB   ALA  27           HB3      ALA  27 -17.204   2.851   7.910
  232   3HB   ALA  27           HB2      ALA  27 -16.516   2.226   9.408
  233    H    HIS  28           HN       HIS  28 -18.419   4.240   7.948
  234    HA   HIS  28           HA       HIS  28 -20.646   3.788   6.125
  235   1HB   HIS  28           HB2      HIS  28 -21.013   5.377   8.563
  236   2HB   HIS  28           HB1      HIS  28 -21.389   6.279   7.094
  237    HD1  HIS  28           HD1      HIS  28 -22.657   4.261   5.280
  238    HD2  HIS  28           HD2      HIS  28 -23.430   4.341   9.405
  239    HE1  HIS  28           HE1      HIS  28 -24.887   3.080   5.649
  240    H    MET  29           HN       MET  29 -18.203   5.951   7.473
  241    HA   MET  29           HA       MET  29 -18.110   7.969   5.556
  242   1HB   MET  29           HB2      MET  29 -15.982   6.590   7.169
  243   2HB   MET  29           HB1      MET  29 -15.530   7.816   5.983
  244   1HG   MET  29           HG2      MET  29 -15.809   9.030   7.997
  245   2HG   MET  29           HG1      MET  29 -17.309   9.303   7.113
  246   1HE   MET  29           HE2      MET  29 -16.504   9.712   9.977
  247   2HE   MET  29           HE1      MET  29 -18.251   9.935  10.001
  248   3HE   MET  29           HE3      MET  29 -17.477   8.845  11.162
  249    H    ALA  30           HN       ALA  30 -16.559   4.760   5.395
  250    HA   ALA  30           HA       ALA  30 -15.986   3.499   3.490
  251   1HB   ALA  30           HB2      ALA  30 -17.991   5.338   2.564
  252   2HB   ALA  30           HB1      ALA  30 -16.735   5.180   1.335
  253   3HB   ALA  30           HB3      ALA  30 -17.576   3.748   1.927
  254    H    ASN  31           HN       ASN  31 -14.708   6.307   4.468
  255    HA   ASN  31           HA       ASN  31 -12.823   6.596   2.185
  256   1HB   ASN  31           HB2      ASN  31 -13.743   8.327   4.407
  257   2HB   ASN  31           HB1      ASN  31 -12.030   8.462   4.008
  258   1HD2  ASN  31          HD22      ASN  31 -14.698  10.246   1.628
  259   2HD2  ASN  31          HD21      ASN  31 -15.061   9.668   3.181
  260    H    LYS  32           HN       LYS  32 -13.063   4.516   4.567
  261    HA   LYS  32           HA       LYS  32 -10.470   4.803   5.891
  262   1HB   LYS  32           HB2      LYS  32 -12.854   3.423   6.399
  263   2HB   LYS  32           HB1      LYS  32 -11.667   2.164   6.057
  264   1HG   LYS  32           HG2      LYS  32 -10.459   4.175   7.717
  265   2HG   LYS  32           HG1      LYS  32 -11.968   3.639   8.455
  266   1HD   LYS  32           HD2      LYS  32 -11.265   1.375   8.517
  267   2HD   LYS  32           HD1      LYS  32  -9.947   1.669   7.381
  268   1HE   LYS  32           HE2      LYS  32  -9.145   1.457   9.733
  269   2HE   LYS  32           HE1      LYS  32  -8.778   3.034   9.035
  270   1HZ   LYS  32           HZ2      LYS  32 -11.351   2.972  10.272
  271   2HZ   LYS  32           HZ1      LYS  32 -10.115   2.580  11.369
  272   3HZ   LYS  32           HZ3      LYS  32 -10.058   4.046  10.520
  273    H    LEU  33           HN       LEU  33  -9.778   4.800   3.250
  274    HA   LEU  33           HA       LEU  33  -8.839   1.987   2.815
  275   1HB   LEU  33           HB2      LEU  33  -9.691   4.090   0.812
  276   2HB   LEU  33           HB1      LEU  33  -8.764   2.672   0.352
  277    HG   LEU  33           HG       LEU  33 -11.540   2.766   1.538
  278   1HD1  LEU  33          HD11      LEU  33 -10.856   2.878  -1.029
  279   2HD1  LEU  33          HD13      LEU  33 -10.688   1.136  -0.822
  280   3HD1  LEU  33          HD12      LEU  33 -12.237   1.917  -0.501
  281   1HD2  LEU  33          HD21      LEU  33  -9.468   0.635   1.621
  282   2HD2  LEU  33          HD23      LEU  33 -10.821   0.928   2.714
  283   3HD2  LEU  33          HD22      LEU  33 -11.094   0.125   1.167
  284    H    GLU  34           HN       GLU  34  -6.870   2.543   4.022
  285    HA   GLU  34           HA       GLU  34  -5.181   4.729   3.028
  286   1HB   GLU  34           HB2      GLU  34  -5.397   3.765   5.465
  287   2HB   GLU  34           HB1      GLU  34  -4.218   2.583   4.896
  288   1HG   GLU  34           HG2      GLU  34  -3.145   4.940   3.972
  289   2HG   GLU  34           HG1      GLU  34  -3.863   5.441   5.504
  290    H    PHE  35           HN       PHE  35  -2.796   2.780   3.624
  291    HA   PHE  35           HA       PHE  35  -2.861   1.085   1.215
  292   1HB   PHE  35           HB2      PHE  35  -0.950   3.413   1.553
  293   2HB   PHE  35           HB1      PHE  35  -0.663   2.082   0.431
  294    HD1  PHE  35           HD2      PHE  35  -2.350   1.613  -1.389
  295    HD2  PHE  35           HD1      PHE  35  -2.451   5.166   1.020
  296    HE1  PHE  35           HE2      PHE  35  -3.802   2.714  -3.071
  297    HE2  PHE  35           HE1      PHE  35  -3.897   6.263  -0.660
  298    HZ   PHE  35           HZ       PHE  35  -4.574   5.037  -2.706
  299    HA   PRO  36           HA       PRO  36  -0.639  -1.352   4.180
  300   1HB   PRO  36           HB2      PRO  36   0.228  -3.123   2.109
  301   2HB   PRO  36           HB1      PRO  36  -1.122  -3.350   3.225
  302   1HG   PRO  36           HG2      PRO  36  -1.218  -2.656   0.388
  303   2HG   PRO  36           HG1      PRO  36  -2.539  -3.155   1.453
  304   1HD   PRO  36           HD2      PRO  36  -2.094  -0.549   0.462
  305   2HD   PRO  36           HD1      PRO  36  -3.215  -1.004   1.769
  306    H    GLY  37           HN       GLY  37   1.035   0.247   4.518
  307   1HA   GLY  37           HA2      GLY  37   3.044   1.008   2.696
  308   2HA   GLY  37           HA1      GLY  37   3.234   1.035   4.444
  309    H    GLY  38           HN       GLY  38   5.315   0.244   4.552
  310   1HA   GLY  38           HA2      GLY  38   5.957  -2.366   4.870
  311   2HA   GLY  38           HA1      GLY  38   6.085  -2.189   3.119
  312    H    LYS  39           HN       LYS  39   6.954   0.578   3.242
  313    HA   LYS  39           HA       LYS  39   8.903   1.846   3.450
  314   1HB   LYS  39           HB2      LYS  39   8.857   1.390   5.852
  315   2HB   LYS  39           HB1      LYS  39   9.614  -0.181   5.590
  316   1HG   LYS  39           HG2      LYS  39  11.457   1.179   6.131
  317   2HG   LYS  39           HG1      LYS  39  11.472   1.183   4.366
  318   1HD   LYS  39           HD2      LYS  39   9.881   3.273   4.677
  319   2HD   LYS  39           HD1      LYS  39  10.651   3.349   6.256
  320   1HE   LYS  39           HE2      LYS  39  11.679   4.244   3.734
  321   2HE   LYS  39           HE1      LYS  39  12.416   4.384   5.326
  322   1HZ   LYS  39           HZ3      LYS  39  13.180   2.032   5.009
  323   2HZ   LYS  39           HZ2      LYS  39  12.687   2.166   3.388
  324   3HZ   LYS  39           HZ1      LYS  39  13.909   3.176   3.992
  325    H    ILE  40           HN       ILE  40   9.734   1.395   1.422
  326    HA   ILE  40           HA       ILE  40  11.142  -1.135   0.960
  327    HB   ILE  40           HB       ILE  40  10.300  -0.515  -1.061
  328   1HG1  ILE  40          HG12      ILE  40  12.923  -0.437  -1.079
  329   2HG1  ILE  40          HG11      ILE  40  12.036   0.098  -2.504
  330   1HG2  ILE  40          HG22      ILE  40  10.537   2.271  -0.004
  331   2HG2  ILE  40          HG21      ILE  40  10.400   2.039  -1.747
  332   3HG2  ILE  40          HG23      ILE  40   9.132   1.443  -0.675
  333   1HD1  ILE  40          HD11      ILE  40  12.424   2.233  -0.530
  334   2HD1  ILE  40          HD13      ILE  40  13.942   1.580  -1.144
  335   3HD1  ILE  40          HD12      ILE  40  12.748   2.237  -2.263
  336    H    GLU  41           HN       GLU  41  13.266  -1.477   1.182
  337    HA   GLU  41           HA       GLU  41  15.257   0.596   1.078
  338   1HB   GLU  41           HB2      GLU  41  15.782   0.924   3.339
  339   2HB   GLU  41           HB1      GLU  41  14.022   0.900   3.352
  340   1HG   GLU  41           HG2      GLU  41  14.218  -1.621   3.817
  341   2HG   GLU  41           HG1      GLU  41  15.916  -1.301   4.179
  342    H    MET  42           HN       MET  42  14.329  -2.643   2.125
  343    HA   MET  42           HA       MET  42  16.797  -3.867   2.538
  344   1HB   MET  42           HB2      MET  42  14.141  -4.716   1.889
  345   2HB   MET  42           HB1      MET  42  15.273  -5.627   0.890
  346   1HG   MET  42           HG2      MET  42  16.125  -6.752   2.672
  347   2HG   MET  42           HG1      MET  42  16.118  -5.316   3.697
  348   1HE   MET  42           HE3      MET  42  15.809  -6.678   5.404
  349   2HE   MET  42           HE2      MET  42  14.386  -5.914   6.108
  350   3HE   MET  42           HE1      MET  42  14.412  -7.660   5.865
  351    H    GLY  43           HN       GLY  43  18.379  -4.790   1.167
  352   1HA   GLY  43           HA2      GLY  43  19.768  -4.799  -0.730
  353   2HA   GLY  43           HA1      GLY  43  18.267  -5.020  -1.640
  354    H    GLU  44           HN       GLU  44  17.987  -3.502  -3.134
  355    HA   GLU  44           HA       GLU  44  18.094  -0.682  -2.521
  356   1HB   GLU  44           HB2      GLU  44  20.529  -1.917  -3.401
  357   2HB   GLU  44           HB1      GLU  44  19.935  -0.875  -4.695
  358   1HG   GLU  44           HG2      GLU  44  19.609   0.437  -2.139
  359   2HG   GLU  44           HG1      GLU  44  21.284  -0.071  -2.352
  360    H    THR  45           HN       THR  45  16.466  -2.908  -3.832
  361    HA   THR  45           HA       THR  45  15.748  -1.331  -6.250
  362    HB   THR  45           HB       THR  45  16.002  -4.354  -6.156
  363    HG1  THR  45           HG1      THR  45  17.953  -4.068  -6.838
  364   1HG2  THR  45          HG23      THR  45  14.246  -3.366  -7.685
  365   2HG2  THR  45          HG22      THR  45  15.542  -2.516  -8.521
  366   3HG2  THR  45          HG21      THR  45  15.500  -4.279  -8.518
  367    HA   PRO  46           HA       PRO  46  11.733  -1.511  -4.441
  368   1HB   PRO  46           HB2      PRO  46  10.621  -1.888  -7.131
  369   2HB   PRO  46           HB1      PRO  46  10.418  -0.529  -6.013
  370   1HG   PRO  46           HG2      PRO  46  12.008  -0.515  -8.349
  371   2HG   PRO  46           HG1      PRO  46  12.064   0.685  -7.047
  372   1HD   PRO  46           HD2      PRO  46  14.051  -1.337  -7.726
  373   2HD   PRO  46           HD1      PRO  46  14.164  -0.033  -6.526
  374    H    GLU  47           HN       GLU  47  13.064  -4.014  -6.455
  375    HA   GLU  47           HA       GLU  47  10.847  -5.865  -6.046
  376   1HB   GLU  47           HB2      GLU  47  13.291  -5.826  -7.576
  377   2HB   GLU  47           HB1      GLU  47  13.230  -7.301  -6.611
  378   1HG   GLU  47           HG2      GLU  47  10.959  -7.769  -7.465
  379   2HG   GLU  47           HG1      GLU  47  11.035  -6.306  -8.451
  380    H    GLN  48           HN       GLN  48  14.215  -6.586  -5.136
  381    HA   GLN  48           HA       GLN  48  13.621  -8.209  -2.953
  382   1HB   GLN  48           HB2      GLN  48  15.924  -6.280  -3.361
  383   2HB   GLN  48           HB1      GLN  48  15.807  -7.319  -1.928
  384   1HG   GLN  48           HG2      GLN  48  15.710  -9.315  -3.354
  385   2HG   GLN  48           HG1      GLN  48  15.791  -8.303  -4.797
  386   1HE2  GLN  48          HE22      GLN  48  19.172  -8.588  -2.456
  387   2HE2  GLN  48          HE21      GLN  48  17.650  -8.760  -1.726
  388    H    ALA  49           HN       ALA  49  13.627  -4.715  -3.083
  389    HA   ALA  49           HA       ALA  49  13.434  -4.243  -0.280
  390   1HB   ALA  49           HB2      ALA  49  12.921  -2.680  -2.758
  391   2HB   ALA  49           HB1      ALA  49  12.148  -2.105  -1.284
  392   3HB   ALA  49           HB3      ALA  49  13.902  -2.269  -1.351
  393    H    VAL  50           HN       VAL  50  10.786  -3.998  -2.700
  394    HA   VAL  50           HA       VAL  50   8.758  -4.025  -0.655
  395    HB   VAL  50           HB       VAL  50   8.657  -3.149  -3.092
  396   1HG1  VAL  50          HG11      VAL  50   9.234  -5.297  -4.181
  397   2HG1  VAL  50          HG13      VAL  50   7.787  -6.030  -3.494
  398   3HG1  VAL  50          HG12      VAL  50   7.641  -4.738  -4.685
  399   1HG2  VAL  50          HG23      VAL  50   6.615  -4.330  -1.350
  400   2HG2  VAL  50          HG22      VAL  50   6.640  -2.760  -2.156
  401   3HG2  VAL  50          HG21      VAL  50   6.117  -4.196  -3.037
  402    H    VAL  51           HN       VAL  51   9.827  -6.501  -2.919
  403    HA   VAL  51           HA       VAL  51   8.128  -8.603  -2.191
  404    HB   VAL  51           HB       VAL  51   9.938  -8.395  -4.063
  405   1HG1  VAL  51          HG11      VAL  51  11.822  -8.119  -2.495
  406   2HG1  VAL  51          HG13      VAL  51  11.508  -9.726  -1.842
  407   3HG1  VAL  51          HG12      VAL  51  12.038  -9.541  -3.515
  408   1HG2  VAL  51          HG23      VAL  51   9.062 -10.833  -2.565
  409   2HG2  VAL  51          HG22      VAL  51   8.673 -10.328  -4.209
  410   3HG2  VAL  51          HG21      VAL  51  10.256 -11.014  -3.849
  411    H    ARG  52           HN       ARG  52  11.273  -7.697  -0.773
  412    HA   ARG  52           HA       ARG  52  11.215  -9.846   1.178
  413   1HB   ARG  52           HB2      ARG  52  12.864  -7.307   1.053
  414   2HB   ARG  52           HB1      ARG  52  13.154  -8.625   2.171
  415   1HG   ARG  52           HG2      ARG  52  12.987  -9.251  -0.749
  416   2HG   ARG  52           HG1      ARG  52  14.465  -8.516  -0.124
  417   1HD   ARG  52           HD2      ARG  52  14.869 -10.318   1.359
  418   2HD   ARG  52           HD1      ARG  52  13.219 -10.919   1.210
  419    HE   ARG  52           HE       ARG  52  14.238 -11.097  -1.367
  420   1HH1  ARG  52          HH11      ARG  52  16.787 -11.454   0.398
  421   2HH1  ARG  52          HH12      ARG  52  16.887 -13.183   0.428
  422   1HH2  ARG  52          HH21      ARG  52  13.660 -13.654  -0.751
  423   2HH2  ARG  52          HH22      ARG  52  15.117 -14.428  -0.223
  424    H    GLU  53           HN       GLU  53  10.258  -6.468   1.062
  425    HA   GLU  53           HA       GLU  53   9.635  -6.231   3.882
  426   1HB   GLU  53           HB2      GLU  53   8.598  -4.650   1.516
  427   2HB   GLU  53           HB1      GLU  53   8.411  -4.198   3.212
  428   1HG   GLU  53           HG2      GLU  53  11.166  -4.823   2.323
  429   2HG   GLU  53           HG1      GLU  53  10.462  -3.336   1.677
  430    H    LEU  54           HN       LEU  54   8.286  -7.807   1.239
  431    HA   LEU  54           HA       LEU  54   5.494  -7.737   2.053
  432   1HB   LEU  54           HB2      LEU  54   7.134  -8.747  -0.146
  433   2HB   LEU  54           HB1      LEU  54   5.913  -9.913   0.338
  434    HG   LEU  54           HG       LEU  54   5.047  -8.406  -1.409
  435   1HD1  LEU  54          HD12      LEU  54   3.772  -9.110   0.891
  436   2HD1  LEU  54          HD11      LEU  54   3.607  -7.356   0.951
  437   3HD1  LEU  54          HD13      LEU  54   2.993  -8.250  -0.438
  438   1HD2  LEU  54          HD22      LEU  54   6.025  -6.339   0.539
  439   2HD2  LEU  54          HD21      LEU  54   6.192  -6.383  -1.216
  440   3HD2  LEU  54          HD23      LEU  54   4.642  -5.964  -0.489
  441    H    GLN  55           HN       GLN  55   7.816 -10.423   1.734
  442    HA   GLN  55           HA       GLN  55   6.389 -12.280   3.334
  443   1HB   GLN  55           HB2      GLN  55   8.930 -13.088   3.787
  444   2HB   GLN  55           HB1      GLN  55   8.097 -13.398   2.272
  445   1HG   GLN  55           HG2      GLN  55   9.335 -11.861   1.112
  446   2HG   GLN  55           HG1      GLN  55   9.489 -10.773   2.496
  447   1HE2  GLN  55          HE22      GLN  55  12.450 -13.381   1.702
  448   2HE2  GLN  55          HE21      GLN  55  11.148 -13.124   0.644
  449    H    GLU  56           HN       GLU  56   9.112 -10.150   4.317
  450    HA   GLU  56           HA       GLU  56   9.275 -10.895   7.004
  451   1HB   GLU  56           HB2      GLU  56  10.052  -8.554   7.445
  452   2HB   GLU  56           HB1      GLU  56  10.844  -9.302   6.060
  453   1HG   GLU  56           HG2      GLU  56  10.285  -7.257   5.174
  454   2HG   GLU  56           HG1      GLU  56   8.857  -8.189   4.725
  455    H    GLU  57           HN       GLU  57   6.664  -9.213   5.447
  456    HA   GLU  57           HA       GLU  57   5.608  -8.096   7.935
  457   1HB   GLU  57           HB2      GLU  57   4.889  -8.038   5.081
  458   2HB   GLU  57           HB1      GLU  57   3.501  -8.073   6.171
  459   1HG   GLU  57           HG2      GLU  57   3.997  -6.027   7.099
  460   2HG   GLU  57           HG1      GLU  57   5.731  -6.248   6.890
  461    H    VAL  58           HN       VAL  58   3.489  -9.906   5.829
  462    HA   VAL  58           HA       VAL  58   2.437 -11.371   8.117
  463    HB   VAL  58           HB       VAL  58   1.759 -11.631   5.179
  464   1HG1  VAL  58          HG12      VAL  58   0.374 -12.387   7.748
  465   2HG1  VAL  58          HG11      VAL  58  -0.502 -12.198   6.229
  466   3HG1  VAL  58          HG13      VAL  58   0.759 -13.422   6.371
  467   1HG2  VAL  58          HG22      VAL  58   1.094  -9.598   7.270
  468   2HG2  VAL  58          HG21      VAL  58   1.346  -9.379   5.539
  469   3HG2  VAL  58          HG23      VAL  58  -0.172 -10.055   6.130
  470    H    GLY  59           HN       GLY  59   3.213 -12.827   4.912
  471   1HA   GLY  59           HA2      GLY  59   5.401 -14.315   5.276
  472   2HA   GLY  59           HA1      GLY  59   4.345 -15.111   6.431
  473    H    ILE  60           HN       ILE  60   2.912 -13.930   3.438
  474    HA   ILE  60           HA       ILE  60   2.319 -16.738   2.733
  475    HB   ILE  60           HB       ILE  60   1.063 -15.717   0.797
  476   1HG1  ILE  60          HG12      ILE  60   0.819 -13.064   1.610
  477   2HG1  ILE  60          HG11      ILE  60   2.545 -13.391   1.739
  478   1HG2  ILE  60          HG22      ILE  60   0.517 -15.469   3.640
  479   2HG2  ILE  60          HG21      ILE  60  -0.278 -14.185   2.729
  480   3HG2  ILE  60          HG23      ILE  60  -0.587 -15.872   2.324
  481   1HD1  ILE  60          HD12      ILE  60   1.092 -14.319  -0.707
  482   2HD1  ILE  60          HD11      ILE  60   1.503 -12.609  -0.563
  483   3HD1  ILE  60          HD13      ILE  60   2.776 -13.828  -0.527
  484    H    THR  61           HN       THR  61   2.476 -16.687  -0.104
  485    HA   THR  61           HA       THR  61   5.393 -16.157  -0.473
  486    HB   THR  61           HB       THR  61   3.794 -18.602  -1.170
  487    HG1  THR  61           HG1      THR  61   6.086 -17.889   0.238
  488   1HG2  THR  61          HG23      THR  61   5.847 -17.315  -2.820
  489   2HG2  THR  61          HG22      THR  61   6.290 -18.952  -2.341
  490   3HG2  THR  61          HG21      THR  61   4.788 -18.669  -3.217
  491    HA   PRO  62           HA       PRO  62   3.691 -15.546  -4.883
  492   1HB   PRO  62           HB2      PRO  62   0.903 -15.908  -5.112
  493   2HB   PRO  62           HB1      PRO  62   2.159 -16.978  -5.755
  494   1HG   PRO  62           HG2      PRO  62   0.408 -17.409  -3.445
  495   2HG   PRO  62           HG1      PRO  62   1.435 -18.573  -4.293
  496   1HD   PRO  62           HD2      PRO  62   1.948 -17.449  -1.735
  497   2HD   PRO  62           HD1      PRO  62   3.072 -18.389  -2.730
  498    H    GLN  63           HN       GLN  63   1.728 -14.075  -5.798
  499    HA   GLN  63           HA       GLN  63   0.053 -12.352  -4.753
  500   1HB   GLN  63           HB2      GLN  63   1.331 -10.502  -3.622
  501   2HB   GLN  63           HB1      GLN  63   1.315 -11.995  -2.684
  502   1HG   GLN  63           HG2      GLN  63   3.558 -12.115  -2.768
  503   2HG   GLN  63           HG1      GLN  63   3.528 -12.042  -4.526
  504   1HE2  GLN  63          HE22      GLN  63   5.381  -9.019  -3.723
  505   2HE2  GLN  63          HE21      GLN  63   5.622 -10.690  -3.896
  506    H    HIS  64           HN       HIS  64   3.106 -12.722  -6.322
  507    HA   HIS  64           HA       HIS  64   3.997 -11.708  -8.233
  508   1HB   HIS  64           HB2      HIS  64   1.345 -12.217  -8.686
  509   2HB   HIS  64           HB1      HIS  64   1.427 -10.479  -9.011
  510    HD1  HIS  64           HD1      HIS  64   2.945 -13.788 -10.109
  511    HD2  HIS  64           HD2      HIS  64   2.781  -9.792 -11.379
  512    HE1  HIS  64           HE1      HIS  64   3.956 -13.702 -12.447
  513    H    PHE  65           HN       PHE  65   3.466  -9.225  -9.416
  514    HA   PHE  65           HA       PHE  65   2.858  -7.166  -7.550
  515   1HB   PHE  65           HB2      PHE  65   5.133  -6.376  -6.989
  516   2HB   PHE  65           HB1      PHE  65   4.833  -7.990  -6.346
  517    HD1  PHE  65           HD1      PHE  65   5.663 -10.010  -7.681
  518    HD2  PHE  65           HD2      PHE  65   6.917  -5.981  -8.493
  519    HE1  PHE  65           HE1      PHE  65   7.634 -10.870  -8.915
  520    HE2  PHE  65           HE2      PHE  65   8.888  -6.843  -9.728
  521    HZ   PHE  65           HZ       PHE  65   9.247  -9.289  -9.938
  522    H    SER  66           HN       SER  66   3.135  -5.096  -8.422
  523    HA   SER  66           HA       SER  66   4.560  -4.686 -10.938
  524   1HB   SER  66           HB2      SER  66   1.856  -5.530 -11.051
  525   2HB   SER  66           HB1      SER  66   1.851  -3.801 -11.381
  526    HG   SER  66           HG       SER  66   3.269  -5.863 -12.706
  527    H    LEU  67           HN       LEU  67   4.969  -2.468 -11.188
  528    HA   LEU  67           HA       LEU  67   4.621  -0.797  -8.875
  529   1HB   LEU  67           HB2      LEU  67   6.307  -0.678 -10.946
  530   2HB   LEU  67           HB1      LEU  67   5.089   0.433 -11.558
  531    HG   LEU  67           HG       LEU  67   6.936   0.731  -9.234
  532   1HD1  LEU  67          HD12      LEU  67   7.088   1.899 -11.485
  533   2HD1  LEU  67          HD11      LEU  67   5.619   2.770 -11.042
  534   3HD1  LEU  67          HD13      LEU  67   7.087   2.970 -10.083
  535   1HD2  LEU  67          HD23      LEU  67   4.094   1.798  -9.301
  536   2HD2  LEU  67          HD22      LEU  67   4.848   0.841  -8.025
  537   3HD2  LEU  67          HD21      LEU  67   5.364   2.504  -8.302
  538    H    PHE  68           HN       PHE  68   3.393  -0.214 -12.138
  539    HA   PHE  68           HA       PHE  68   1.248   0.385 -12.873
  540   1HB   PHE  68           HB2      PHE  68  -0.406  -0.282 -11.501
  541   2HB   PHE  68           HB1      PHE  68   0.725  -0.439 -10.180
  542    HD1  PHE  68           HD1      PHE  68  -1.404   2.030 -11.989
  543    HD2  PHE  68           HD2      PHE  68   0.656   1.074  -8.344
  544    HE1  PHE  68           HE1      PHE  68  -2.441   3.995 -10.888
  545    HE2  PHE  68           HE2      PHE  68  -0.385   3.037  -7.244
  546    HZ   PHE  68           HZ       PHE  68  -1.931   4.496  -8.515
  547    H    GLU  69           HN       GLU  69   2.274   2.136  -9.959
  548    HA   GLU  69           HA       GLU  69   3.173   4.486 -11.166
  549   1HB   GLU  69           HB2      GLU  69   0.776   4.614 -12.042
  550   2HB   GLU  69           HB1      GLU  69   0.261   4.816 -10.370
  551   1HG   GLU  69           HG2      GLU  69   0.497   7.016 -11.331
  552   2HG   GLU  69           HG1      GLU  69   1.840   6.777 -10.212
  553    H    LYS  70           HN       LYS  70   3.660   6.106  -9.530
  554    HA   LYS  70           HA       LYS  70   2.728   5.487  -6.785
  555   1HB   LYS  70           HB2      LYS  70   5.413   6.067  -6.377
  556   2HB   LYS  70           HB1      LYS  70   4.677   4.475  -6.253
  557   1HG   LYS  70           HG2      LYS  70   6.397   4.078  -7.760
  558   2HG   LYS  70           HG1      LYS  70   5.071   4.414  -8.863
  559   1HD   LYS  70           HD2      LYS  70   7.080   5.681  -9.515
  560   2HD   LYS  70           HD1      LYS  70   5.796   6.777  -9.000
  561   1HE   LYS  70           HE2      LYS  70   6.877   7.355  -7.044
  562   2HE   LYS  70           HE1      LYS  70   7.699   5.800  -6.916
  563   1HZ   LYS  70           HZ2      LYS  70   8.519   7.136  -9.264
  564   2HZ   LYS  70           HZ1      LYS  70   8.723   8.164  -7.926
  565   3HZ   LYS  70           HZ3      LYS  70   9.456   6.635  -7.938
  566    H    LEU  71           HN       LEU  71   4.398   7.297  -5.434
  567    HA   LEU  71           HA       LEU  71   4.188   9.858  -6.885
  568   1HB   LEU  71           HB2      LEU  71   2.892  10.845  -4.920
  569   2HB   LEU  71           HB1      LEU  71   1.985   9.775  -5.985
  570    HG   LEU  71           HG       LEU  71   2.286   7.913  -4.421
  571   1HD1  LEU  71          HD12      LEU  71   4.025   9.913  -3.000
  572   2HD1  LEU  71          HD11      LEU  71   3.177   8.688  -2.057
  573   3HD1  LEU  71          HD13      LEU  71   4.323   8.202  -3.305
  574   1HD2  LEU  71          HD23      LEU  71   0.678  10.150  -4.053
  575   2HD2  LEU  71          HD22      LEU  71   0.487   8.603  -3.228
  576   3HD2  LEU  71          HD21      LEU  71   1.403   9.902  -2.464
  577    H    GLU  72           HN       GLU  72   4.712  11.657  -5.087
  578    HA   GLU  72           HA       GLU  72   6.723  10.730  -3.144
  579   1HB   GLU  72           HB2      GLU  72   7.640  11.395  -5.642
  580   2HB   GLU  72           HB1      GLU  72   7.710  12.958  -4.826
  581   1HG   GLU  72           HG2      GLU  72   9.310  12.257  -3.320
  582   2HG   GLU  72           HG1      GLU  72   8.744  10.585  -3.331
  583    H    TYR  73           HN       TYR  73   5.277  11.608  -1.600
  584    HA   TYR  73           HA       TYR  73   4.308  14.345  -1.845
  585   1HB   TYR  73           HB2      TYR  73   3.446  12.153  -0.450
  586   2HB   TYR  73           HB1      TYR  73   4.287  13.043   0.817
  587    HD1  TYR  73           HD1      TYR  73   1.760  13.455  -1.898
  588    HD2  TYR  73           HD2      TYR  73   3.258  14.886   1.865
  589    HE1  TYR  73           HE1      TYR  73  -0.174  14.995  -1.715
  590    HE2  TYR  73           HE2      TYR  73   1.325  16.425   2.049
  591    HH   TYR  73           HH       TYR  73  -1.178  16.553  -0.492
  592    H    GLU  74           HN       GLU  74   5.822  15.916  -1.703
  593    HA   GLU  74           HA       GLU  74   8.145  15.526   0.058
  594   1HB   GLU  74           HB2      GLU  74   8.199  16.481  -2.351
  595   2HB   GLU  74           HB1      GLU  74   7.601  17.970  -1.623
  596   1HG   GLU  74           HG2      GLU  74   9.566  17.694   0.048
  597   2HG   GLU  74           HG1      GLU  74  10.221  16.562  -1.137
  598    H    PHE  75           HN       PHE  75   7.482  15.887   2.159
  599    HA   PHE  75           HA       PHE  75   5.726  18.113   2.855
  600   1HB   PHE  75           HB2      PHE  75   7.009  15.842   4.237
  601   2HB   PHE  75           HB1      PHE  75   6.899  17.298   5.215
  602    HD1  PHE  75           HD2      PHE  75   4.330  18.425   3.992
  603    HD2  PHE  75           HD1      PHE  75   5.402  14.480   5.315
  604    HE1  PHE  75           HE2      PHE  75   1.943  17.922   4.429
  605    HE2  PHE  75           HE1      PHE  75   3.015  13.979   5.755
  606    HZ   PHE  75           HZ       PHE  75   1.286  15.700   5.312
  607    HA   PRO  76           HA       PRO  76   8.539  21.362   3.728
  608   1HB   PRO  76           HB2      PRO  76   8.271  21.279   6.631
  609   2HB   PRO  76           HB1      PRO  76   7.667  22.501   5.500
  610   1HG   PRO  76           HG2      PRO  76   6.133  20.514   6.876
  611   2HG   PRO  76           HG1      PRO  76   5.555  21.653   5.652
  612   1HD   PRO  76           HD2      PRO  76   5.882  18.812   5.384
  613   2HD   PRO  76           HD1      PRO  76   5.355  19.965   4.143
  614    H    ASP  77           HN       ASP  77   8.793  18.977   6.381
  615    HA   ASP  77           HA       ASP  77  11.708  18.747   5.770
  616   1HB   ASP  77           HB2      ASP  77  10.730  18.443   8.589
  617   2HB   ASP  77           HB1      ASP  77  12.312  18.960   8.007
  618    H    ARG  78           HN       ARG  78   9.510  17.115   4.870
  619    HA   ARG  78           HA       ARG  78  10.348  14.528   6.065
  620   1HB   ARG  78           HB2      ARG  78   7.682  15.776   6.251
  621   2HB   ARG  78           HB1      ARG  78   7.661  14.114   5.653
  622   1HG   ARG  78           HG2      ARG  78   9.113  14.994   8.164
  623   2HG   ARG  78           HG1      ARG  78   7.498  14.290   8.151
  624   1HD   ARG  78           HD2      ARG  78   9.418  12.719   6.598
  625   2HD   ARG  78           HD1      ARG  78   9.887  12.871   8.289
  626    HE   ARG  78           HE       ARG  78   8.021  11.035   7.511
  627   1HH1  ARG  78          HH21      ARG  78   8.515  12.393  10.342
  628   2HH1  ARG  78          HH22      ARG  78   6.866  12.611  10.823
  629   1HH2  ARG  78          HH11      ARG  78   5.587  12.001   7.658
  630   2HH2  ARG  78          HH12      ARG  78   5.207  12.389   9.302
  631    H    HIS  79           HN       HIS  79  11.430  14.089   4.055
  632    HA   HIS  79           HA       HIS  79   9.914  14.251   1.547
  633   1HB   HIS  79           HB2      HIS  79  12.613  14.259   2.183
  634   2HB   HIS  79           HB1      HIS  79  12.368  12.648   1.510
  635    HD1  HIS  79           HD1      HIS  79  13.697  15.458   0.227
  636    HD2  HIS  79           HD2      HIS  79  10.174  13.444  -0.848
  637    HE1  HIS  79           HE1      HIS  79  13.153  16.124  -2.175
  638    H    ILE  80           HN       ILE  80   8.150  12.776   1.893
  639    HA   ILE  80           HA       ILE  80   8.905   9.957   2.459
  640    HB   ILE  80           HB       ILE  80   6.180  11.292   2.312
  641   1HG1  ILE  80          HG12      ILE  80   6.063  10.954   4.670
  642   2HG1  ILE  80          HG11      ILE  80   7.448   9.871   4.669
  643   1HG2  ILE  80          HG22      ILE  80   6.982   8.402   2.766
  644   2HG2  ILE  80          HG21      ILE  80   5.370   9.040   3.051
  645   3HG2  ILE  80          HG23      ILE  80   6.031   9.038   1.423
  646   1HD1  ILE  80          HD12      ILE  80   7.580  12.810   3.962
  647   2HD1  ILE  80          HD11      ILE  80   7.970  12.156   5.551
  648   3HD1  ILE  80          HD13      ILE  80   8.947  11.714   4.152
  649    H    THR  81           HN       THR  81   8.065   8.265   1.126
  650    HA   THR  81           HA       THR  81   7.205   9.033  -1.612
  651    HB   THR  81           HB       THR  81   9.160   6.777  -1.212
  652    HG1  THR  81           HG1      THR  81  10.132   9.247  -2.022
  653   1HG2  THR  81          HG23      THR  81   7.970   8.322  -3.428
  654   2HG2  THR  81          HG22      THR  81   9.695   7.993  -3.600
  655   3HG2  THR  81          HG21      THR  81   8.557   6.659  -3.401
  656    H    LEU  82           HN       LEU  82   6.334   6.880  -2.689
  657    HA   LEU  82           HA       LEU  82   5.542   4.826  -0.760
  658   1HB   LEU  82           HB2      LEU  82   3.936   7.002  -0.739
  659   2HB   LEU  82           HB1      LEU  82   3.183   6.085  -2.043
  660    HG   LEU  82           HG       LEU  82   3.718   4.178  -0.067
  661   1HD1  LEU  82          HD13      LEU  82   3.370   6.830   1.100
  662   2HD1  LEU  82          HD12      LEU  82   2.131   5.700   1.647
  663   3HD1  LEU  82          HD11      LEU  82   3.836   5.319   1.879
  664   1HD2  LEU  82          HD21      LEU  82   1.278   5.656  -1.031
  665   2HD2  LEU  82          HD23      LEU  82   1.737   3.976  -1.310
  666   3HD2  LEU  82          HD22      LEU  82   1.135   4.475   0.270
  667    H    TRP  83           HN       TRP  83   6.623   3.529  -2.346
  668    HA   TRP  83           HA       TRP  83   5.822   3.451  -5.119
  669   1HB   TRP  83           HB2      TRP  83   7.086   1.334  -3.354
  670   2HB   TRP  83           HB1      TRP  83   6.882   1.167  -5.097
  671    HD1  TRP  83           HD1      TRP  83   8.931   2.933  -2.468
  672    HE1  TRP  83           HE1      TRP  83  10.915   4.184  -3.595
  673    HE3  TRP  83           HE3      TRP  83   7.590   2.393  -7.364
  674    HZ2  TRP  83           HZ2      TRP  83  11.765   4.846  -6.252
  675    HZ3  TRP  83           HZ3      TRP  83   8.997   3.340  -9.170
  676    HH2  TRP  83           HH2      TRP  83  11.084   4.564  -8.621
  677    H    PHE  84           HN       PHE  84   3.770   2.910  -5.797
  678    HA   PHE  84           HA       PHE  84   2.090   1.147  -4.112
  679   1HB   PHE  84           HB2      PHE  84   1.503   2.616  -6.699
  680   2HB   PHE  84           HB1      PHE  84   0.331   1.631  -5.829
  681    HD1  PHE  84           HD1      PHE  84   2.792   4.365  -5.121
  682    HD2  PHE  84           HD2      PHE  84  -1.094   2.718  -4.351
  683    HE1  PHE  84           HE1      PHE  84   2.276   6.279  -3.635
  684    HE2  PHE  84           HE2      PHE  84  -1.616   4.637  -2.868
  685    HZ   PHE  84           HZ       PHE  84   0.071   6.419  -2.509
  686    H    TRP  85           HN       TRP  85   3.714  -0.673  -4.633
  687    HA   TRP  85           HA       TRP  85   3.701  -1.752  -7.325
  688   1HB   TRP  85           HB2      TRP  85   4.537  -2.841  -4.635
  689   2HB   TRP  85           HB1      TRP  85   4.600  -3.826  -6.098
  690    HD1  TRP  85           HD1      TRP  85   6.376  -1.053  -4.293
  691    HE1  TRP  85           HE1      TRP  85   8.466  -0.302  -5.635
  692    HE3  TRP  85           HE3      TRP  85   5.523  -3.580  -8.645
  693    HZ2  TRP  85           HZ2      TRP  85   9.583  -0.748  -8.237
  694    HZ3  TRP  85           HZ3      TRP  85   7.109  -3.399 -10.539
  695    HH2  TRP  85           HH2      TRP  85   9.139  -1.989 -10.341
  696    H    LEU  86           HN       LEU  86   1.408  -1.887  -7.838
  697    HA   LEU  86           HA       LEU  86  -0.428  -3.319  -6.147
  698   1HB   LEU  86           HB2      LEU  86  -0.452  -2.319  -8.962
  699   2HB   LEU  86           HB1      LEU  86  -1.646  -3.534  -8.509
  700    HG   LEU  86           HG       LEU  86  -2.630  -1.371  -8.118
  701   1HD1  LEU  86          HD11      LEU  86  -2.659  -3.277  -6.278
  702   2HD1  LEU  86          HD13      LEU  86  -1.758  -2.083  -5.346
  703   3HD1  LEU  86          HD12      LEU  86  -3.369  -1.697  -5.948
  704   1HD2  LEU  86          HD23      LEU  86  -0.037  -0.540  -7.711
  705   2HD2  LEU  86          HD22      LEU  86  -1.469   0.436  -7.389
  706   3HD2  LEU  86          HD21      LEU  86  -0.708  -0.473  -6.082
  707    H    VAL  87           HN       VAL  87  -0.749  -5.463  -5.934
  708    HA   VAL  87           HA       VAL  87   0.539  -7.272  -7.940
  709    HB   VAL  87           HB       VAL  87   1.443  -8.542  -6.272
  710   1HG1  VAL  87          HG11      VAL  87   0.724  -6.007  -4.789
  711   2HG1  VAL  87          HG13      VAL  87   1.720  -7.270  -4.068
  712   3HG1  VAL  87          HG12      VAL  87   2.267  -6.438  -5.523
  713   1HG2  VAL  87          HG22      VAL  87  -1.090  -8.032  -4.679
  714   2HG2  VAL  87          HG21      VAL  87  -0.659  -9.508  -5.542
  715   3HG2  VAL  87          HG23      VAL  87   0.249  -9.029  -4.109
  716    H    GLU  88           HN       GLU  88  -0.730  -9.614  -7.721
  717    HA   GLU  88           HA       GLU  88  -3.573  -9.215  -7.101
  718   1HB   GLU  88           HB2      GLU  88  -2.600  -9.408  -9.953
  719   2HB   GLU  88           HB1      GLU  88  -4.260  -9.777  -9.487
  720   1HG   GLU  88           HG2      GLU  88  -4.187  -7.446  -8.307
  721   2HG   GLU  88           HG1      GLU  88  -2.811  -7.143  -9.367
  722    H    ARG  89           HN       ARG  89  -1.407 -11.310  -6.458
  723    HA   ARG  89           HA       ARG  89  -3.224 -13.558  -6.852
  724   1HB   ARG  89           HB2      ARG  89  -2.056 -14.890  -8.345
  725   2HB   ARG  89           HB1      ARG  89  -1.804 -13.288  -9.025
  726   1HG   ARG  89           HG2      ARG  89   0.399 -13.747  -8.966
  727   2HG   ARG  89           HG1      ARG  89   0.302 -13.589  -7.212
  728   1HD   ARG  89           HD2      ARG  89   1.240 -15.743  -7.533
  729   2HD   ARG  89           HD1      ARG  89  -0.469 -16.075  -7.252
  730    HE   ARG  89           HE       ARG  89  -0.285 -15.797 -10.007
  731   1HH1  ARG  89          HH21      ARG  89  -0.129 -18.211  -7.761
  732   2HH1  ARG  89          HH22      ARG  89   0.792 -19.321  -8.720
  733   1HH2  ARG  89          HH11      ARG  89   1.512 -16.997 -11.193
  734   2HH2  ARG  89          HH12      ARG  89   1.721 -18.633 -10.665
  735    H    TRP  90           HN       TRP  90  -2.639 -12.771  -4.425
  736    HA   TRP  90           HA       TRP  90  -0.223 -14.065  -3.377
  737   1HB   TRP  90           HB2      TRP  90  -0.943 -13.308  -1.221
  738   2HB   TRP  90           HB1      TRP  90  -1.326 -12.009  -2.353
  739    HD1  TRP  90           HD1      TRP  90  -3.105 -15.125  -0.885
  740    HE1  TRP  90           HE1      TRP  90  -5.592 -14.544  -0.458
  741    HE3  TRP  90           HE3      TRP  90  -3.170 -10.314  -2.623
  742    HZ2  TRP  90           HZ2      TRP  90  -7.339 -12.321  -0.807
  743    HZ3  TRP  90           HZ3      TRP  90  -5.273  -8.992  -2.550
  744    HH2  TRP  90           HH2      TRP  90  -7.349  -9.989  -1.650
  745    H    GLU  91           HN       GLU  91  -0.403 -15.831  -1.697
  746    HA   GLU  91           HA       GLU  91  -2.410 -17.820  -2.599
  747   1HB   GLU  91           HB2      GLU  91  -0.718 -19.273  -2.283
  748   2HB   GLU  91           HB1      GLU  91   0.293 -17.954  -1.732
  749   1HG   GLU  91           HG2      GLU  91  -0.520 -18.262   0.573
  750   2HG   GLU  91           HG1      GLU  91  -1.556 -19.583   0.029
  751    H    GLY  92           HN       GLY  92  -3.907 -18.780  -1.186
  752   1HA   GLY  92           HA2      GLY  92  -5.557 -18.577   0.497
  753   2HA   GLY  92           HA1      GLY  92  -4.147 -18.771   1.536
  754    H    GLU  93           HN       GLU  93  -3.155 -16.856   2.414
  755    HA   GLU  93           HA       GLU  93  -5.030 -14.541   2.488
  756   1HB   GLU  93           HB2      GLU  93  -3.921 -13.957   4.610
  757   2HB   GLU  93           HB1      GLU  93  -4.532 -15.610   4.659
  758   1HG   GLU  93           HG2      GLU  93  -2.041 -16.041   3.657
  759   2HG   GLU  93           HG1      GLU  93  -1.739 -14.632   4.673
  760    HA   PRO  94           HA       PRO  94  -2.114 -11.941   0.483
  761   1HB   PRO  94           HB2      PRO  94  -2.744  -9.576   1.840
  762   2HB   PRO  94           HB1      PRO  94  -3.619 -10.216   0.441
  763   1HG   PRO  94           HG2      PRO  94  -4.460 -10.129   3.256
  764   2HG   PRO  94           HG1      PRO  94  -5.437 -10.441   1.815
  765   1HD   PRO  94           HD2      PRO  94  -4.523 -12.349   3.743
  766   2HD   PRO  94           HD1      PRO  94  -5.392 -12.685   2.231
  767    H    TRP  95           HN       TRP  95  -0.888  -9.639   1.594
  768    HA   TRP  95           HA       TRP  95   0.260  -9.980   4.142
  769   1HB   TRP  95           HB2      TRP  95   2.455 -10.868   3.674
  770   2HB   TRP  95           HB1      TRP  95   1.261 -12.012   3.068
  771    HD1  TRP  95           HD1      TRP  95   0.789  -9.779   0.505
  772    HE1  TRP  95           HE1      TRP  95   2.428 -10.036  -1.496
  773    HE3  TRP  95           HE3      TRP  95   4.463 -12.486   2.783
  774    HZ2  TRP  95           HZ2      TRP  95   4.988 -11.255  -1.995
  775    HZ3  TRP  95           HZ3      TRP  95   6.476 -13.182   1.528
  776    HH2  TRP  95           HH2      TRP  95   6.746 -12.572  -0.856
  777    H    GLY  96           HN       GLY  96  -0.495  -7.655   3.414
  778   1HA   GLY  96           HA2      GLY  96   1.995  -6.227   2.607
  779   2HA   GLY  96           HA1      GLY  96   0.490  -5.844   1.774
  780    H    LYS  97           HN       LYS  97  -1.168  -6.094   4.185
  781    HA   LYS  97           HA       LYS  97  -1.398  -3.506   5.058
  782   1HB   LYS  97           HB2      LYS  97  -1.812  -4.826   7.458
  783   2HB   LYS  97           HB1      LYS  97  -3.024  -4.550   6.211
  784   1HG   LYS  97           HG2      LYS  97  -2.903  -6.931   6.905
  785   2HG   LYS  97           HG1      LYS  97  -2.522  -6.716   5.199
  786   1HD   LYS  97           HD2      LYS  97  -0.728  -8.036   5.763
  787   2HD   LYS  97           HD1      LYS  97  -0.040  -6.481   6.230
  788   1HE   LYS  97           HE2      LYS  97   0.311  -7.703   8.176
  789   2HE   LYS  97           HE1      LYS  97  -1.263  -6.984   8.521
  790   1HZ   LYS  97           HZ3      LYS  97  -1.852  -9.251   7.129
  791   2HZ   LYS  97           HZ2      LYS  97  -0.567  -9.727   8.133
  792   3HZ   LYS  97           HZ1      LYS  97  -1.972  -9.053   8.808
  793    H    GLU  98           HN       GLU  98   0.280  -2.193   5.580
  794    HA   GLU  98           HA       GLU  98   2.565  -3.152   7.143
  795   1HB   GLU  98           HB2      GLU  98   2.861  -1.466   5.381
  796   2HB   GLU  98           HB1      GLU  98   1.811  -0.353   6.252
  797   1HG   GLU  98           HG2      GLU  98   4.323  -0.016   6.594
  798   2HG   GLU  98           HG1      GLU  98   3.360  -0.166   8.064
  799    H    GLY  99           HN       GLY  99   1.926  -3.637   9.253
  800   1HA   GLY  99           HA2      GLY  99   1.143  -3.249  11.435
  801   2HA   GLY  99           HA1      GLY  99   1.608  -1.570  11.148
  802    H    GLN 100           HN       GLN 100  -0.683  -2.999   9.000
  803    HA   GLN 100           HA       GLN 100  -2.890  -1.513  10.370
  804   1HB   GLN 100           HB2      GLN 100  -3.619  -0.652   8.307
  805   2HB   GLN 100           HB1      GLN 100  -1.871  -0.596   8.136
  806   1HG   GLN 100           HG2      GLN 100  -1.907  -2.754   6.946
  807   2HG   GLN 100           HG1      GLN 100  -3.665  -2.809   7.099
  808   1HE2  GLN 100          HE22      GLN 100  -3.563  -1.269   3.874
  809   2HE2  GLN 100          HE21      GLN 100  -3.773  -2.748   4.679
  810    HA   PRO 101           HA       PRO 101  -5.398  -5.084  10.246
  811   1HB   PRO 101           HB2      PRO 101  -7.591  -4.048   8.690
  812   2HB   PRO 101           HB1      PRO 101  -7.487  -4.230  10.446
  813   1HG   PRO 101           HG2      PRO 101  -7.424  -1.787   8.962
  814   2HG   PRO 101           HG1      PRO 101  -7.206  -1.985  10.704
  815   1HD   PRO 101           HD2      PRO 101  -5.204  -1.362   8.699
  816   2HD   PRO 101           HD1      PRO 101  -5.014  -1.419  10.459
  817    H    GLY 102           HN       GLY 102  -5.525  -3.468   7.052
  818   1HA   GLY 102           HA2      GLY 102  -5.330  -4.362   4.891
  819   2HA   GLY 102           HA1      GLY 102  -4.395  -5.662   5.637
  820    H    GLU 103           HN       GLU 103  -7.258  -4.976   4.014
  821    HA   GLU 103           HA       GLU 103  -8.219  -7.725   4.544
  822   1HB   GLU 103           HB2      GLU 103 -10.577  -6.857   4.952
  823   2HB   GLU 103           HB1      GLU 103  -9.435  -6.651   6.279
  824   1HG   GLU 103           HG2      GLU 103  -8.956  -4.338   5.216
  825   2HG   GLU 103           HG1      GLU 103 -10.482  -4.576   4.364
  826    H    TRP 104           HN       TRP 104  -9.214  -8.602   2.760
  827    HA   TRP 104           HA       TRP 104  -9.006  -7.428   0.225
  828   1HB   TRP 104           HB2      TRP 104 -11.355  -9.197   0.901
  829   2HB   TRP 104           HB1      TRP 104 -10.410  -9.146  -0.585
  830    HD1  TRP 104           HD1      TRP 104  -7.568  -9.612   0.157
  831    HE1  TRP 104           HE1      TRP 104  -6.714 -11.728   1.397
  832    HE3  TRP 104           HE3      TRP 104 -11.940 -11.126   2.310
  833    HZ2  TRP 104           HZ2      TRP 104  -7.807 -13.775   3.083
  834    HZ3  TRP 104           HZ3      TRP 104 -12.009 -13.157   3.728
  835    HH2  TRP 104           HH2      TRP 104  -9.950 -14.482   4.117
  836    H    MET 105           HN       MET 105 -10.220  -5.909  -0.865
  837    HA   MET 105           HA       MET 105 -12.694  -4.943   0.520
  838   1HB   MET 105           HB2      MET 105 -10.456  -3.512   0.529
  839   2HB   MET 105           HB1      MET 105 -11.002  -3.070  -1.093
  840   1HG   MET 105           HG2      MET 105 -12.562  -2.750   1.488
  841   2HG   MET 105           HG1      MET 105 -11.870  -1.455   0.511
  842   1HE   MET 105           HE1      MET 105 -14.673  -2.284   1.717
  843   2HE   MET 105           HE3      MET 105 -15.974  -2.440   0.526
  844   3HE   MET 105           HE2      MET 105 -15.008  -3.845   0.971
  845    H    SER 106           HN       SER 106 -14.403  -5.384  -0.783
  846    HA   SER 106           HA       SER 106 -14.026  -5.778  -3.663
  847   1HB   SER 106           HB2      SER 106 -15.797  -6.792  -1.811
  848   2HB   SER 106           HB1      SER 106 -16.786  -5.612  -2.664
  849    HG   SER 106           HG       SER 106 -16.123  -6.612  -4.617
  850    H    LEU 107           HN       LEU 107 -13.267  -3.262  -3.408
  851    HA   LEU 107           HA       LEU 107 -15.508  -1.389  -3.582
  852   1HB   LEU 107           HB2      LEU 107 -13.751  -0.187  -2.742
  853   2HB   LEU 107           HB1      LEU 107 -12.544  -1.231  -3.481
  854    HG   LEU 107           HG       LEU 107 -14.161   0.513  -5.286
  855   1HD1  LEU 107          HD13      LEU 107 -13.474   1.960  -3.357
  856   2HD1  LEU 107          HD12      LEU 107 -11.798   1.504  -3.662
  857   3HD1  LEU 107          HD11      LEU 107 -12.696   2.420  -4.871
  858   1HD2  LEU 107          HD21      LEU 107 -12.168  -1.258  -5.700
  859   2HD2  LEU 107          HD23      LEU 107 -12.382   0.169  -6.712
  860   3HD2  LEU 107          HD22      LEU 107 -11.200   0.182  -5.405
  861    H    VAL 108           HN       VAL 108 -13.172  -2.893  -5.776
  862    HA   VAL 108           HA       VAL 108 -13.298  -3.308  -8.075
  863    HB   VAL 108           HB       VAL 108 -16.130  -2.280  -7.732
  864   1HG1  VAL 108          HG13      VAL 108 -15.006  -2.095 -10.054
  865   2HG1  VAL 108          HG12      VAL 108 -15.060  -3.857 -10.060
  866   3HG1  VAL 108          HG11      VAL 108 -16.556  -2.930  -9.953
  867   1HG2  VAL 108          HG22      VAL 108 -15.029  -4.606  -6.801
  868   2HG2  VAL 108          HG21      VAL 108 -16.720  -4.437  -7.270
  869   3HG2  VAL 108          HG23      VAL 108 -15.551  -5.098  -8.413
  870    H    GLY 109           HN       GLY 109 -12.272  -2.069  -9.544
  871   1HA   GLY 109           HA2      GLY 109 -11.342  -0.084 -10.434
  872   2HA   GLY 109           HA1      GLY 109 -13.037   0.296 -10.736
  873    H    LEU 110           HN       LEU 110 -10.449   0.579  -8.359
  874    HA   LEU 110           HA       LEU 110 -11.636   1.951  -6.304
  875   1HB   LEU 110           HB2      LEU 110  -8.984   1.726  -7.360
  876   2HB   LEU 110           HB1      LEU 110  -9.291   3.415  -6.890
  877    HG   LEU 110           HG       LEU 110 -10.430   1.768  -4.888
  878   1HD1  LEU 110          HD11      LEU 110  -8.033   0.623  -6.083
  879   2HD1  LEU 110          HD13      LEU 110  -7.786   1.025  -4.384
  880   3HD1  LEU 110          HD12      LEU 110  -9.099  -0.054  -4.852
  881   1HD2  LEU 110          HD23      LEU 110  -8.607   3.971  -5.248
  882   2HD2  LEU 110          HD22      LEU 110  -9.652   3.602  -3.882
  883   3HD2  LEU 110          HD21      LEU 110  -8.033   2.903  -3.972
  884    H    ASN 111           HN       ASN 111 -11.611   4.360  -5.829
  885    HA   ASN 111           HA       ASN 111 -12.139   6.016  -8.248
  886   1HB   ASN 111           HB2      ASN 111 -14.167   4.828  -6.809
  887   2HB   ASN 111           HB1      ASN 111 -14.088   6.443  -6.087
  888   1HD2  ASN 111          HD21      ASN 111 -13.687   8.202  -8.033
  889   2HD2  ASN 111          HD22      ASN 111 -14.776   8.040  -9.325
  890    H    ALA 112           HN       ALA 112 -10.781   5.804  -5.133
  891    HA   ALA 112           HA       ALA 112  -9.531   7.453  -3.971
  892   1HB   ALA 112           HB3      ALA 112  -9.392   8.668  -6.218
  893   2HB   ALA 112           HB2      ALA 112 -10.831   9.556  -5.719
  894   3HB   ALA 112           HB1      ALA 112  -9.344   9.689  -4.786
  895    H    ASP 113           HN       ASP 113 -12.911   7.890  -4.779
  896    HA   ASP 113           HA       ASP 113 -13.716   9.684  -2.760
  897   1HB   ASP 113           HB2      ASP 113 -14.896   8.032  -4.726
  898   2HB   ASP 113           HB1      ASP 113 -15.647   7.575  -3.209
  899    H    ASP 114           HN       ASP 114 -12.556   6.469  -2.587
  900    HA   ASP 114           HA       ASP 114 -13.616   6.153   0.183
  901   1HB   ASP 114           HB2      ASP 114 -12.892   4.254  -2.027
  902   2HB   ASP 114           HB1      ASP 114 -12.847   3.692  -0.347
  903    H    PHE 115           HN       PHE 115 -10.790   6.791  -1.619
  904    HA   PHE 115           HA       PHE 115  -9.023   5.796   0.566
  905   1HB   PHE 115           HB2      PHE 115  -8.637   6.493  -2.310
  906   2HB   PHE 115           HB1      PHE 115  -7.277   6.765  -1.220
  907    HD1  PHE 115           HD2      PHE 115  -9.828   4.155  -2.083
  908    HD2  PHE 115           HD1      PHE 115  -5.856   4.994  -0.703
  909    HE1  PHE 115           HE2      PHE 115  -9.300   1.731  -2.139
  910    HE2  PHE 115           HE1      PHE 115  -5.321   2.574  -0.760
  911    HZ   PHE 115           HZ       PHE 115  -7.043   0.941  -1.477
  912    HA   PRO 116           HA       PRO 116  -8.513   9.776   2.333
  913   1HB   PRO 116           HB2      PRO 116  -5.724   9.330   2.889
  914   2HB   PRO 116           HB1      PRO 116  -7.080   9.211   4.007
  915   1HG   PRO 116           HG2      PRO 116  -5.521   7.063   2.936
  916   2HG   PRO 116           HG1      PRO 116  -6.948   6.937   3.975
  917   1HD   PRO 116           HD2      PRO 116  -6.728   6.354   1.141
  918   2HD   PRO 116           HD1      PRO 116  -8.123   6.110   2.212
  919    HA   PRO 117           HA       PRO 117  -6.787  12.223  -0.933
  920   1HB   PRO 117           HB2      PRO 117  -6.405  14.474   0.810
  921   2HB   PRO 117           HB1      PRO 117  -7.718  14.210  -0.345
  922   1HG   PRO 117           HG2      PRO 117  -7.859  14.091   2.532
  923   2HG   PRO 117           HG1      PRO 117  -9.166  13.823   1.370
  924   1HD   PRO 117           HD2      PRO 117  -7.791  11.856   2.978
  925   2HD   PRO 117           HD1      PRO 117  -9.117  11.593   1.827
  926    H    ALA 118           HN       ALA 118  -5.223  11.629   2.116
  927    HA   ALA 118           HA       ALA 118  -2.802  12.981   1.958
  928   1HB   ALA 118           HB2      ALA 118  -3.177  10.060   2.689
  929   2HB   ALA 118           HB1      ALA 118  -1.781  11.050   3.116
  930   3HB   ALA 118           HB3      ALA 118  -3.368  11.425   3.791
  931    H    ASN 119           HN       ASN 119  -3.557   9.863   0.396
  932    HA   ASN 119           HA       ASN 119  -1.115  10.133  -1.279
  933   1HB   ASN 119           HB2      ASN 119  -3.010   7.906  -0.605
  934   2HB   ASN 119           HB1      ASN 119  -2.130   7.822  -2.130
  935   1HD2  ASN 119          HD22      ASN 119   0.612   8.315   0.805
  936   2HD2  ASN 119          HD21      ASN 119  -0.471   9.550   0.383
  937    H    GLU 120           HN       GLU 120  -2.747  12.102  -1.919
  938    HA   GLU 120           HA       GLU 120  -4.855  11.597  -3.768
  939   1HB   GLU 120           HB2      GLU 120  -3.406  13.847  -2.716
  940   2HB   GLU 120           HB1      GLU 120  -3.645  14.046  -4.452
  941   1HG   GLU 120           HG2      GLU 120  -6.048  13.655  -4.201
  942   2HG   GLU 120           HG1      GLU 120  -5.841  13.368  -2.473
  943    HA   PRO 121           HA       PRO 121  -1.434  12.600  -7.117
  944   1HB   PRO 121           HB2      PRO 121   0.925  11.256  -6.103
  945   2HB   PRO 121           HB1      PRO 121   0.749  12.931  -6.628
  946   1HG   PRO 121           HG2      PRO 121   1.024  12.009  -3.947
  947   2HG   PRO 121           HG1      PRO 121   0.633  13.656  -4.463
  948   1HD   PRO 121           HD2      PRO 121  -1.100  11.701  -3.215
  949   2HD   PRO 121           HD1      PRO 121  -1.463  13.393  -3.609
  950    H    VAL 122           HN       VAL 122  -1.344   9.547  -5.278
  951    HA   VAL 122           HA       VAL 122  -1.168   8.124  -7.885
  952    HB   VAL 122           HB       VAL 122  -0.523   7.441  -5.070
  953   1HG1  VAL 122          HG12      VAL 122  -1.883   5.594  -6.957
  954   2HG1  VAL 122          HG11      VAL 122  -0.470   4.953  -6.118
  955   3HG1  VAL 122          HG13      VAL 122  -1.840   5.568  -5.195
  956   1HG2  VAL 122          HG22      VAL 122   0.924   7.886  -7.361
  957   2HG2  VAL 122          HG21      VAL 122   1.528   7.001  -5.961
  958   3HG2  VAL 122          HG23      VAL 122   0.845   6.124  -7.331
  959    H    ILE 123           HN       ILE 123  -3.317   8.655  -5.139
  960    HA   ILE 123           HA       ILE 123  -5.246   6.643  -5.789
  961    HB   ILE 123           HB       ILE 123  -5.220   9.121  -4.137
  962   1HG1  ILE 123          HG12      ILE 123  -6.802   6.989  -3.082
  963   2HG1  ILE 123          HG11      ILE 123  -5.359   6.279  -3.806
  964   1HG2  ILE 123          HG22      ILE 123  -7.697   8.029  -5.445
  965   2HG2  ILE 123          HG21      ILE 123  -7.791   8.685  -3.811
  966   3HG2  ILE 123          HG23      ILE 123  -7.248   9.707  -5.142
  967   1HD1  ILE 123          HD11      ILE 123  -5.006   8.727  -2.133
  968   2HD1  ILE 123          HD13      ILE 123  -5.351   7.209  -1.304
  969   3HD1  ILE 123          HD12      ILE 123  -3.930   7.346  -2.341
  970    H    ALA 124           HN       ALA 124  -4.463   9.744  -7.114
  971    HA   ALA 124           HA       ALA 124  -6.811  10.373  -8.558
  972   1HB   ALA 124           HB3      ALA 124  -4.667  11.746  -8.357
  973   2HB   ALA 124           HB2      ALA 124  -3.992  10.699  -9.604
  974   3HB   ALA 124           HB1      ALA 124  -5.395  11.706  -9.963
  975    H    LYS 125           HN       LYS 125  -4.166   8.178  -9.220
  976    HA   LYS 125           HA       LYS 125  -5.129   7.421 -11.857
  977   1HB   LYS 125           HB2      LYS 125  -3.083   6.112 -10.053
  978   2HB   LYS 125           HB1      LYS 125  -3.306   5.777 -11.772
  979   1HG   LYS 125           HG2      LYS 125  -2.589   8.482 -10.602
  980   2HG   LYS 125           HG1      LYS 125  -1.451   7.379 -11.373
  981   1HD   LYS 125           HD2      LYS 125  -2.445   7.652 -13.501
  982   2HD   LYS 125           HD1      LYS 125  -3.917   8.338 -12.822
  983   1HE   LYS 125           HE2      LYS 125  -1.333   9.752 -12.311
  984   2HE   LYS 125           HE1      LYS 125  -2.073   9.906 -13.905
  985   1HZ   LYS 125           HZ2      LYS 125  -3.558  10.369 -11.384
  986   2HZ   LYS 125           HZ1      LYS 125  -2.759  11.610 -12.224
  987   3HZ   LYS 125           HZ3      LYS 125  -4.036  10.774 -12.963
  988    H    LEU 126           HN       LEU 126  -5.426   6.009  -8.581
  989    HA   LEU 126           HA       LEU 126  -6.591   3.539  -9.542
  990   1HB   LEU 126           HB2      LEU 126  -7.008   4.925  -6.873
  991   2HB   LEU 126           HB1      LEU 126  -7.486   3.276  -7.259
  992    HG   LEU 126           HG       LEU 126  -5.437   2.519  -6.732
  993   1HD1  LEU 126          HD11      LEU 126  -4.820   3.232  -9.114
  994   2HD1  LEU 126          HD13      LEU 126  -4.099   4.668  -8.385
  995   3HD1  LEU 126          HD12      LEU 126  -3.484   3.068  -7.977
  996   1HD2  LEU 126          HD22      LEU 126  -5.679   4.867  -5.402
  997   2HD2  LEU 126          HD21      LEU 126  -4.308   3.774  -5.206
  998   3HD2  LEU 126          HD23      LEU 126  -4.184   5.160  -6.290
  999    H    LYS 127           HN       LYS 127  -7.681   6.761  -9.187
 1000    HA   LYS 127           HA       LYS 127 -10.504   6.419  -9.013
 1001   1HB   LYS 127           HB2      LYS 127  -9.020   8.440 -10.720
 1002   2HB   LYS 127           HB1      LYS 127 -10.621   8.636  -9.980
 1003   1HG   LYS 127           HG2      LYS 127  -9.015   7.970  -7.828
 1004   2HG   LYS 127           HG1      LYS 127  -7.968   9.004  -8.802
 1005   1HD   LYS 127           HD2      LYS 127 -10.764   9.693  -7.843
 1006   2HD   LYS 127           HD1      LYS 127  -9.261  10.389  -7.243
 1007   1HE   LYS 127           HE2      LYS 127  -8.912  10.937  -9.834
 1008   2HE   LYS 127           HE1      LYS 127 -10.675  10.876  -9.830
 1009   1HZ   LYS 127           HZ1      LYS 127  -9.570  12.334  -7.614
 1010   2HZ   LYS 127           HZ3      LYS 127  -9.180  13.015  -9.116
 1011   3HZ   LYS 127           HZ2      LYS 127 -10.808  12.772  -8.692
 1012    H    ARG 128           HN       ARG 128  -8.184   6.217 -11.581
 1013    HA   ARG 128           HA       ARG 128 -10.159   5.759 -13.690
 1014   1HB   ARG 128           HB2      ARG 128  -7.314   5.042 -14.129
 1015   2HB   ARG 128           HB1      ARG 128  -8.389   6.017 -15.129
 1016   1HG   ARG 128           HG2      ARG 128  -8.175   7.825 -13.321
 1017   2HG   ARG 128           HG1      ARG 128  -6.842   6.870 -12.671
 1018   1HD   ARG 128           HD2      ARG 128  -6.010   8.608 -14.203
 1019   2HD   ARG 128           HD1      ARG 128  -5.680   6.999 -14.837
 1020    HE   ARG 128           HE       ARG 128  -8.114   7.687 -15.978
 1021   1HH1  ARG 128          HH21      ARG 128  -7.001  10.506 -15.701
 1022   2HH1  ARG 128          HH22      ARG 128  -6.217  10.710 -17.232
 1023   1HH2  ARG 128          HH11      ARG 128  -6.222   7.326 -17.984
 1024   2HH2  ARG 128          HH12      ARG 128  -5.776   8.909 -18.525
 1025    H    LEU 129           HN       LEU 129  -8.305   3.909 -11.415
 1026    HA   LEU 129           HA       LEU 129  -7.960   1.418 -12.535
 1027   1HB   LEU 129           HB2      LEU 129  -8.126   2.404  -9.918
 1028   2HB   LEU 129           HB1      LEU 129  -9.291   1.082  -9.981
 1029    HG   LEU 129           HG       LEU 129  -7.515  -0.335 -11.028
 1030   1HD1  LEU 129          HD11      LEU 129  -6.226   1.808 -11.738
 1031   2HD1  LEU 129          HD13      LEU 129  -5.581   1.788 -10.097
 1032   3HD1  LEU 129          HD12      LEU 129  -5.279   0.428 -11.180
 1033   1HD2  LEU 129          HD21      LEU 129  -8.002   0.099  -8.414
 1034   2HD2  LEU 129          HD23      LEU 129  -6.738  -1.001  -8.961
 1035   3HD2  LEU 129          HD22      LEU 129  -6.325   0.641  -8.473
 1036   3HOG  APC 130           H5T      ATP 130   5.374   0.455   9.049
 1037   1H3A  APC 130           H3P      ATP 130   9.427   2.372   7.270
 1038   2H3A  APC 130          H3P'      ATP 130   8.391   2.936   8.601
 1039   1H5*  APC 130           H5'      ATP 130   9.049   4.322   6.924
 1040   2H5*  APC 130          H5''      ATP 130  10.155   5.635   6.492
 1041    H4*  APC 130           H4'      ATP 130   9.444   6.514   8.925
 1042    H3*  APC 130           H3'      ATP 130   7.494   4.451   8.161
 1043   *HO3  APC 130          H3''      ATP 130   7.509   4.223  10.355
 1044    H2*  APC 130          H2''      ATP 130   5.674   5.716   8.025
 1045   *HO2  APC 130           H2'      ATP 130   5.046   6.847   9.694
 1046    H1*  APC 130           H1'      ATP 130   6.843   8.344   8.128
 1047    H8   APC 130           H8       ATP 130   6.417   5.490   5.524
 1048    H2   APC 130           H2       ATP 130   4.062  11.371   6.375
 1049   1HN6  APC 130           H61      ATP 130   2.913   7.576   2.908
 1050   2HN6  APC 130           H62      ATP 130   2.150   9.148   2.979
 1051   1HN1  CON 131          H1N1      ATP 130  11.382   1.245  13.405
 1052   2HN1  CON 131          H2N1      ATP 130  11.987   0.498  12.170
 1053   3HN1  CON 131          H3N1      ATP 130  11.658  -0.296  13.480
 1054   1HN2  CON 131          H1N2      ATP 130   8.571  -0.350  14.590
 1055   2HN2  CON 131          H2N2      ATP 130   8.333  -1.666  13.784
 1056   3HN2  CON 131          H3N2      ATP 130   9.754  -1.342  14.348
 1057   1HN3  CON 131          H1N3      ATP 130   7.946   1.723  13.471
 1058   2HN3  CON 131          H2N3      ATP 130   8.652   2.504  12.311
 1059   3HN3  CON 131          H3N3      ATP 130   9.428   2.191  13.629
 1060   1HN4  CON 131          H1N4      ATP 130   9.422  -2.155  10.800
 1061   2HN4  CON 131          H2N4      ATP 130  10.887  -1.611  10.796
 1062   3HN4  CON 131          H3N4      ATP 130  10.343  -2.380  12.043
 1063   1HO1  MO2 132          H1O1      MG  131   9.935  -2.784   6.995
 1064   2HO1  MO2 132          H2O1      MG  131   9.012  -1.737   7.557
 1065   1HO2  MO2 132          H1O2      MG  131   7.038  -3.878   8.926
 1066   2HO2  MO2 132          H2O2      MG  131   6.648  -5.185   8.297
   
  No H/Q in entry =        1066
  Start of MODEL   12
    1   1H    MET   1           HT2      MET   1  15.245  13.810   8.361
    2   2H    MET   1           HT1      MET   1  14.745  15.040   9.421
    3   3H    MET   1           HT3      MET   1  13.718  14.531   8.171
    4    HA   MET   1           HA       MET   1  14.556  16.458   7.285
    5   1HB   MET   1           HB2      MET   1  16.795  17.260   7.658
    6   2HB   MET   1           HB1      MET   1  16.173  16.726   9.220
    7   1HG   MET   1           HG2      MET   1  17.342  14.582   8.978
    8   2HG   MET   1           HG1      MET   1  17.930  15.065   7.386
    9   1HE   MET   1           HE1      MET   1  18.073  15.218  11.069
   10   2HE   MET   1           HE3      MET   1  19.216  16.491  11.521
   11   3HE   MET   1           HE2      MET   1  17.608  16.912  10.937
   12    H    LYS   2           HN       LYS   2  14.624  13.464   6.570
   13    HA   LYS   2           HA       LYS   2  16.181  13.845   4.059
   14   1HB   LYS   2           HB2      LYS   2  16.786  11.344   4.289
   15   2HB   LYS   2           HB1      LYS   2  17.664  12.481   5.309
   16   1HG   LYS   2           HG2      LYS   2  16.946  10.581   6.658
   17   2HG   LYS   2           HG1      LYS   2  16.053  12.019   7.154
   18   1HD   LYS   2           HD2      LYS   2  14.087  11.321   5.997
   19   2HD   LYS   2           HD1      LYS   2  14.964  10.073   5.110
   20   1HE   LYS   2           HE2      LYS   2  14.736  10.064   8.127
   21   2HE   LYS   2           HE1      LYS   2  13.561   9.261   7.088
   22   1HZ   LYS   2           HZ2      LYS   2  16.305   8.673   6.438
   23   2HZ   LYS   2           HZ1      LYS   2  15.841   8.146   7.986
   24   3HZ   LYS   2           HZ3      LYS   2  14.983   7.622   6.620
   25    H    LYS   3           HN       LYS   3  15.565  11.324   2.936
   26    HA   LYS   3           HA       LYS   3  12.600  11.569   2.713
   27   1HB   LYS   3           HB2      LYS   3  13.249  11.950   0.555
   28   2HB   LYS   3           HB1      LYS   3  14.790  11.126   0.762
   29   1HG   LYS   3           HG2      LYS   3  12.256   9.512   0.750
   30   2HG   LYS   3           HG1      LYS   3  12.933  10.069  -0.777
   31   1HD   LYS   3           HD2      LYS   3  15.099   9.076   0.759
   32   2HD   LYS   3           HD1      LYS   3  13.807   7.883   0.867
   33   1HE   LYS   3           HE2      LYS   3  15.314   7.522  -1.102
   34   2HE   LYS   3           HE1      LYS   3  13.631   7.785  -1.560
   35   1HZ   LYS   3           HZ1      LYS   3  15.320  10.150  -1.347
   36   2HZ   LYS   3           HZ3      LYS   3  15.635   9.112  -2.650
   37   3HZ   LYS   3           HZ2      LYS   3  14.088   9.787  -2.460
   38    H    LEU   4           HN       LEU   4  11.364   9.617   2.512
   39    HA   LEU   4           HA       LEU   4  12.698   7.078   3.348
   40   1HB   LEU   4           HB2      LEU   4  11.850   7.750   5.446
   41   2HB   LEU   4           HB1      LEU   4  10.483   8.589   4.734
   42    HG   LEU   4           HG       LEU   4   9.989   6.461   5.971
   43   1HD1  LEU   4          HD11      LEU   4   8.733   7.630   3.893
   44   2HD1  LEU   4          HD13      LEU   4   8.983   6.012   3.239
   45   3HD1  LEU   4          HD12      LEU   4   8.100   6.227   4.750
   46   1HD2  LEU   4          HD21      LEU   4  11.641   5.397   3.729
   47   2HD2  LEU   4          HD23      LEU   4  11.543   4.864   5.403
   48   3HD2  LEU   4          HD22      LEU   4  10.262   4.447   4.271
   49    H    GLN   5           HN       GLN   5  11.978   5.442   1.900
   50    HA   GLN   5           HA       GLN   5   9.573   6.112   0.278
   51   1HB   GLN   5           HB2      GLN   5  11.507   3.808  -0.075
   52   2HB   GLN   5           HB1      GLN   5  10.241   4.286  -1.197
   53   1HG   GLN   5           HG2      GLN   5  11.821   5.572  -2.183
   54   2HG   GLN   5           HG1      GLN   5  11.593   6.659  -0.805
   55   1HE2  GLN   5          HE22      GLN   5  15.000   4.415  -1.091
   56   2HE2  GLN   5          HE21      GLN   5  13.725   4.188  -2.189
   57    H    ILE   6           HN       ILE   6   8.027   4.311  -0.173
   58    HA   ILE   6           HA       ILE   6   7.766   2.458   2.149
   59    HB   ILE   6           HB       ILE   6   5.866   4.500   1.097
   60   1HG1  ILE   6          HG12      ILE   6   7.186   3.918   3.510
   61   2HG1  ILE   6          HG11      ILE   6   5.969   5.157   3.241
   62   1HG2  ILE   6          HG21      ILE   6   4.948   1.807   2.162
   63   2HG2  ILE   6          HG23      ILE   6   3.906   3.211   1.935
   64   3HG2  ILE   6          HG22      ILE   6   4.661   2.440   0.540
   65   1HD1  ILE   6          HD11      ILE   6   4.194   3.461   3.770
   66   2HD1  ILE   6          HD13      ILE   6   5.467   2.302   4.153
   67   3HD1  ILE   6          HD12      ILE   6   5.280   3.761   5.127
   68    H    ALA   7           HN       ALA   7   7.805   0.417   1.350
   69    HA   ALA   7           HA       ALA   7   7.098  -0.059  -1.475
   70   1HB   ALA   7           HB2      ALA   7   8.948  -1.215   0.198
   71   2HB   ALA   7           HB1      ALA   7   7.633  -2.388   0.259
   72   3HB   ALA   7           HB3      ALA   7   8.355  -1.953  -1.291
   73    H    VAL   8           HN       VAL   8   4.833   0.776  -0.613
   74    HA   VAL   8           HA       VAL   8   3.280  -1.215   0.838
   75    HB   VAL   8           HB       VAL   8   2.497   0.977   1.205
   76   1HG1  VAL   8          HG12      VAL   8   3.424   1.443  -1.465
   77   2HG1  VAL   8          HG11      VAL   8   1.753   1.981  -1.345
   78   3HG1  VAL   8          HG13      VAL   8   2.964   2.622  -0.241
   79   1HG2  VAL   8          HG22      VAL   8   0.819  -0.895   0.046
   80   2HG2  VAL   8          HG21      VAL   8   0.293   0.580   0.858
   81   3HG2  VAL   8          HG23      VAL   8   0.493   0.560  -0.894
   82    H    GLY   9           HN       GLY   9   2.547   0.156  -2.409
   83   1HA   GLY   9           HA2      GLY   9   1.648  -0.940  -4.269
   84   2HA   GLY   9           HA1      GLY   9   2.644  -2.318  -3.780
   85    H    ILE  10           HN       ILE  10  -0.456  -0.779  -3.455
   86    HA   ILE  10           HA       ILE  10  -1.696  -2.372  -1.536
   87    HB   ILE  10           HB       ILE  10  -3.441  -2.051  -3.874
   88   1HG1  ILE  10          HG12      ILE  10  -2.117   0.410  -2.684
   89   2HG1  ILE  10          HG11      ILE  10  -1.879  -0.168  -4.338
   90   1HG2  ILE  10          HG22      ILE  10  -3.367  -1.291  -0.961
   91   2HG2  ILE  10          HG21      ILE  10  -4.589  -0.585  -2.017
   92   3HG2  ILE  10          HG23      ILE  10  -4.510  -2.334  -1.806
   93   1HD1  ILE  10          HD11      ILE  10  -4.567   0.613  -3.168
   94   2HD1  ILE  10          HD13      ILE  10  -3.576   1.666  -4.178
   95   3HD1  ILE  10          HD12      ILE  10  -4.235   0.171  -4.843
   96    H    ILE  11           HN       ILE  11  -3.275  -4.222  -2.023
   97    HA   ILE  11           HA       ILE  11  -2.089  -6.004  -4.099
   98    HB   ILE  11           HB       ILE  11  -2.672  -7.834  -2.265
   99   1HG1  ILE  11          HG12      ILE  11  -2.252  -5.268  -0.701
  100   2HG1  ILE  11          HG11      ILE  11  -3.671  -6.316  -0.658
  101   1HG2  ILE  11          HG22      ILE  11  -0.364  -6.630  -3.178
  102   2HG2  ILE  11          HG21      ILE  11  -0.249  -6.374  -1.441
  103   3HG2  ILE  11          HG23      ILE  11  -0.408  -8.009  -2.084
  104   1HD1  ILE  11          HD12      ILE  11  -2.287  -8.154   0.249
  105   2HD1  ILE  11          HD11      ILE  11  -0.877  -7.095   0.223
  106   3HD1  ILE  11          HD13      ILE  11  -2.228  -6.735   1.295
  107    H    ARG  12           HN       ARG  12  -3.834  -5.741  -5.492
  108    HA   ARG  12           HA       ARG  12  -6.597  -6.000  -4.597
  109   1HB   ARG  12           HB2      ARG  12  -5.714  -6.341  -7.457
  110   2HB   ARG  12           HB1      ARG  12  -7.173  -5.562  -6.835
  111   1HG   ARG  12           HG2      ARG  12  -5.497  -3.949  -5.677
  112   2HG   ARG  12           HG1      ARG  12  -4.351  -4.525  -6.877
  113   1HD   ARG  12           HD2      ARG  12  -6.967  -3.070  -7.389
  114   2HD   ARG  12           HD1      ARG  12  -5.339  -2.538  -7.784
  115    HE   ARG  12           HE       ARG  12  -5.697  -4.982  -9.135
  116   1HH1  ARG  12          HH11      ARG  12  -8.548  -4.005  -9.363
  117   2HH1  ARG  12          HH12      ARG  12  -8.495  -3.112 -10.843
  118   1HH2  ARG  12          HH21      ARG  12  -5.036  -2.905 -10.908
  119   2HH2  ARG  12          HH22      ARG  12  -6.511  -2.489 -11.717
  120    H    ASN  13           HN       ASN  13  -7.929  -7.869  -5.928
  121    HA   ASN  13           HA       ASN  13  -6.241 -10.286  -5.977
  122   1HB   ASN  13           HB2      ASN  13  -6.653 -10.757  -3.845
  123   2HB   ASN  13           HB1      ASN  13  -7.784  -9.410  -3.725
  124   1HD2  ASN  13          HD22      ASN  13  -9.383 -13.051  -4.854
  125   2HD2  ASN  13          HD21      ASN  13  -7.873 -12.586  -5.477
  126    H    GLU  14           HN       GLU  14  -9.831  -9.623  -5.934
  127    HA   GLU  14           HA       GLU  14 -10.058 -11.859  -7.865
  128   1HB   GLU  14           HB2      GLU  14 -11.609 -11.590  -5.925
  129   2HB   GLU  14           HB1      GLU  14 -12.234 -10.125  -6.663
  130   1HG   GLU  14           HG2      GLU  14 -13.656 -11.380  -7.874
  131   2HG   GLU  14           HG1      GLU  14 -12.274 -12.133  -8.672
  132    H    ASN  15           HN       ASN  15 -10.360  -8.429  -7.811
  133    HA   ASN  15           HA       ASN  15 -10.202  -8.245 -10.705
  134   1HB   ASN  15           HB2      ASN  15 -12.728  -8.618 -10.099
  135   2HB   ASN  15           HB1      ASN  15 -12.653  -6.972  -9.472
  136   1HD2  ASN  15          HD22      ASN  15 -13.591  -6.919 -13.137
  137   2HD2  ASN  15          HD21      ASN  15 -14.237  -7.732 -11.793
  138    H    ASN  16           HN       ASN  16 -11.021  -6.809  -7.658
  139    HA   ASN  16           HA       ASN  16  -8.850  -4.910  -7.813
  140   1HB   ASN  16           HB2      ASN  16 -11.108  -3.942  -8.927
  141   2HB   ASN  16           HB1      ASN  16 -11.503  -3.656  -7.233
  142   1HD2  ASN  16          HD22      ASN  16  -8.402  -1.571  -6.929
  143   2HD2  ASN  16          HD21      ASN  16  -8.949  -3.001  -6.197
  144    H    GLU  17           HN       GLU  17  -9.647  -7.275  -6.252
  145    HA   GLU  17           HA       GLU  17 -10.730  -6.136  -3.765
  146   1HB   GLU  17           HB2      GLU  17  -9.570  -8.890  -4.250
  147   2HB   GLU  17           HB1      GLU  17 -10.514  -8.373  -2.847
  148   1HG   GLU  17           HG2      GLU  17 -12.286  -7.657  -4.641
  149   2HG   GLU  17           HG1      GLU  17 -11.437  -8.800  -5.671
  150    H    ILE  18           HN       ILE  18  -9.195  -4.542  -3.274
  151    HA   ILE  18           HA       ILE  18  -6.393  -5.263  -2.938
  152    HB   ILE  18           HB       ILE  18  -6.357  -2.949  -1.775
  153   1HG1  ILE  18          HG12      ILE  18  -9.052  -3.227  -1.739
  154   2HG1  ILE  18          HG11      ILE  18  -8.247  -1.662  -1.732
  155   1HG2  ILE  18          HG23      ILE  18  -7.008  -3.410  -4.684
  156   2HG2  ILE  18          HG22      ILE  18  -6.595  -1.812  -4.060
  157   3HG2  ILE  18          HG21      ILE  18  -5.431  -3.131  -3.944
  158   1HD1  ILE  18          HD13      ILE  18  -8.949  -3.017  -4.332
  159   2HD1  ILE  18          HD12      ILE  18 -10.144  -2.054  -3.464
  160   3HD1  ILE  18          HD11      ILE  18  -8.650  -1.307  -4.028
  161    H    PHE  19           HN       PHE  19  -5.312  -5.473  -0.963
  162    HA   PHE  19           HA       PHE  19  -6.961  -6.412   1.299
  163   1HB   PHE  19           HB2      PHE  19  -4.679  -7.383   0.532
  164   2HB   PHE  19           HB1      PHE  19  -3.966  -5.978   1.320
  165    HD1  PHE  19           HD2      PHE  19  -6.897  -8.115   2.278
  166    HD2  PHE  19           HD1      PHE  19  -2.968  -6.718   3.297
  167    HE1  PHE  19           HE2      PHE  19  -7.054  -9.264   4.470
  168    HE2  PHE  19           HE1      PHE  19  -3.129  -7.871   5.489
  169    HZ   PHE  19           HZ       PHE  19  -5.172  -9.135   6.077
  170    H    ILE  20           HN       ILE  20  -7.489  -3.744   0.685
  171    HA   ILE  20           HA       ILE  20  -5.901  -1.897   2.218
  172    HB   ILE  20           HB       ILE  20  -7.148  -1.252   0.188
  173   1HG1  ILE  20          HG12      ILE  20  -8.335   0.752   1.208
  174   2HG1  ILE  20          HG11      ILE  20  -7.946   0.070   2.788
  175   1HG2  ILE  20          HG23      ILE  20  -9.116  -2.827   1.033
  176   2HG2  ILE  20          HG22      ILE  20  -9.704  -1.314   1.720
  177   3HG2  ILE  20          HG21      ILE  20  -9.436  -1.447  -0.017
  178   1HD1  ILE  20          HD12      ILE  20  -5.515  -0.079   1.618
  179   2HD1  ILE  20          HD11      ILE  20  -6.167   1.323   0.772
  180   3HD1  ILE  20          HD13      ILE  20  -6.052   1.332   2.532
  181    H    THR  21           HN       THR  21  -6.538  -0.785   4.007
  182    HA   THR  21           HA       THR  21  -7.975  -2.239   6.068
  183    HB   THR  21           HB       THR  21  -6.240  -0.763   6.771
  184    HG1  THR  21           HG1      THR  21  -7.365   0.150   8.305
  185   1HG2  THR  21          HG22      THR  21  -7.645   1.205   4.974
  186   2HG2  THR  21          HG21      THR  21  -6.525   1.750   6.223
  187   3HG2  THR  21          HG23      THR  21  -5.960   0.689   4.933
  188    H    ARG  22           HN       ARG  22 -10.076  -2.526   4.949
  189    HA   ARG  22           HA       ARG  22 -11.584  -0.169   4.146
  190   1HB   ARG  22           HB2      ARG  22 -11.938  -2.236   2.945
  191   2HB   ARG  22           HB1      ARG  22 -12.351  -3.085   4.439
  192   1HG   ARG  22           HG2      ARG  22 -14.462  -2.592   3.543
  193   2HG   ARG  22           HG1      ARG  22 -14.209  -1.265   4.676
  194   1HD   ARG  22           HD2      ARG  22 -13.198   0.023   2.703
  195   2HD   ARG  22           HD1      ARG  22 -13.888  -1.231   1.672
  196    HE   ARG  22           HE       ARG  22 -16.028  -0.431   3.227
  197   1HH1  ARG  22          HH11      ARG  22 -14.171   2.120   3.039
  198   2HH1  ARG  22          HH12      ARG  22 -15.012   2.981   1.793
  199   1HH2  ARG  22          HH21      ARG  22 -16.927   0.252   0.837
  200   2HH2  ARG  22          HH22      ARG  22 -16.572   1.922   0.546
  201    H    ARG  23           HN       ARG  23 -11.578   1.029   6.124
  202    HA   ARG  23           HA       ARG  23 -12.206   1.504   8.365
  203   1HB   ARG  23           HB2      ARG  23 -14.798   1.425   8.451
  204   2HB   ARG  23           HB1      ARG  23 -14.032   2.471   7.256
  205   1HG   ARG  23           HG2      ARG  23 -14.469   0.963   5.485
  206   2HG   ARG  23           HG1      ARG  23 -14.787  -0.373   6.589
  207   1HD   ARG  23           HD2      ARG  23 -16.678   1.398   7.418
  208   2HD   ARG  23           HD1      ARG  23 -16.583   1.808   5.705
  209    HE   ARG  23           HE       ARG  23 -16.740  -0.957   5.713
  210   1HH1  ARG  23          HH21      ARG  23 -18.711   1.771   6.102
  211   2HH1  ARG  23          HH22      ARG  23 -20.150   0.879   6.467
  212   1HH2  ARG  23          HH11      ARG  23 -18.536  -2.186   6.597
  213   2HH2  ARG  23          HH12      ARG  23 -20.051  -1.359   6.746
  214    H    ALA  24           HN       ALA  24 -11.069  -0.715   8.886
  215    HA   ALA  24           HA       ALA  24 -12.320  -3.100   9.440
  216   1HB   ALA  24           HB2      ALA  24 -10.043  -1.670  10.504
  217   2HB   ALA  24           HB1      ALA  24 -10.869  -2.541  11.796
  218   3HB   ALA  24           HB3      ALA  24 -10.294  -3.411  10.375
  219    H    ALA  25           HN       ALA  25 -12.524  -0.128  11.385
  220    HA   ALA  25           HA       ALA  25 -14.331  -1.359  13.330
  221   1HB   ALA  25           HB1      ALA  25 -12.791   1.057  13.134
  222   2HB   ALA  25           HB3      ALA  25 -14.471   1.479  13.465
  223   3HB   ALA  25           HB2      ALA  25 -13.606   0.390  14.548
  224    H    ASP  26           HN       ASP  26 -16.438   0.139  13.731
  225    HA   ASP  26           HA       ASP  26 -18.036  -0.187  11.308
  226   1HB   ASP  26           HB2      ASP  26 -19.921   0.396  12.691
  227   2HB   ASP  26           HB1      ASP  26 -18.871  -0.639  13.659
  228    H    ALA  27           HN       ALA  27 -17.919   1.346   9.738
  229    HA   ALA  27           HA       ALA  27 -17.602   4.193  10.590
  230   1HB   ALA  27           HB1      ALA  27 -16.076   2.724   8.802
  231   2HB   ALA  27           HB3      ALA  27 -17.169   3.619   7.749
  232   3HB   ALA  27           HB2      ALA  27 -16.136   4.483   8.888
  233    H    HIS  28           HN       HIS  28 -19.522   1.955   8.660
  234    HA   HIS  28           HA       HIS  28 -21.532   2.308   7.471
  235   1HB   HIS  28           HB2      HIS  28 -21.739   3.433  10.058
  236   2HB   HIS  28           HB1      HIS  28 -22.441   4.619   8.959
  237    HD1  HIS  28           HD1      HIS  28 -23.535   2.536   6.834
  238    HD2  HIS  28           HD2      HIS  28 -24.171   2.352  10.978
  239    HE1  HIS  28           HE1      HIS  28 -25.645   1.153   7.207
  240    H    MET  29           HN       MET  29 -19.083   3.853   6.706
  241    HA   MET  29           HA       MET  29 -20.488   5.969   5.159
  242   1HB   MET  29           HB2      MET  29 -18.288   6.305   7.131
  243   2HB   MET  29           HB1      MET  29 -18.133   7.226   5.638
  244   1HG   MET  29           HG2      MET  29 -20.517   7.253   7.520
  245   2HG   MET  29           HG1      MET  29 -19.335   8.546   7.327
  246   1HE   MET  29           HE2      MET  29 -19.044  10.030   5.498
  247   2HE   MET  29           HE1      MET  29 -18.761   8.796   4.273
  248   3HE   MET  29           HE3      MET  29 -19.931  10.091   3.978
  249    H    ALA  30           HN       ALA  30 -17.029   5.885   5.181
  250    HA   ALA  30           HA       ALA  30 -16.097   3.981   3.534
  251   1HB   ALA  30           HB1      ALA  30 -18.042   5.631   2.017
  252   2HB   ALA  30           HB3      ALA  30 -16.504   5.326   1.207
  253   3HB   ALA  30           HB2      ALA  30 -17.508   3.973   1.731
  254    H    ASN  31           HN       ASN  31 -14.640   5.221   1.558
  255    HA   ASN  31           HA       ASN  31 -12.969   6.832   1.159
  256   1HB   ASN  31           HB2      ASN  31 -13.463   8.939   1.806
  257   2HB   ASN  31           HB1      ASN  31 -14.855   8.264   2.643
  258   1HD2  ASN  31          HD22      ASN  31 -13.586   9.202   5.781
  259   2HD2  ASN  31          HD21      ASN  31 -14.936   8.865   4.809
  260    H    LYS  32           HN       LYS  32 -13.399   4.933   3.880
  261    HA   LYS  32           HA       LYS  32 -10.870   5.545   5.207
  262   1HB   LYS  32           HB2      LYS  32 -12.859   4.816   6.468
  263   2HB   LYS  32           HB1      LYS  32 -12.853   3.288   5.590
  264   1HG   LYS  32           HG2      LYS  32 -11.759   3.222   7.886
  265   2HG   LYS  32           HG1      LYS  32 -10.750   2.641   6.563
  266   1HD   LYS  32           HD2      LYS  32  -9.665   4.852   6.426
  267   2HD   LYS  32           HD1      LYS  32 -10.661   5.421   7.764
  268   1HE   LYS  32           HE2      LYS  32  -9.536   3.023   8.680
  269   2HE   LYS  32           HE1      LYS  32  -8.224   3.845   7.837
  270   1HZ   LYS  32           HZ1      LYS  32  -9.835   5.562   9.503
  271   2HZ   LYS  32           HZ3      LYS  32  -8.987   4.367  10.359
  272   3HZ   LYS  32           HZ2      LYS  32  -8.146   5.456   9.363
  273    H    LEU  33           HN       LEU  33 -10.109   5.054   2.717
  274    HA   LEU  33           HA       LEU  33  -9.128   2.225   2.690
  275   1HB   LEU  33           HB2      LEU  33  -9.838   4.096   0.408
  276   2HB   LEU  33           HB1      LEU  33  -8.996   2.578   0.163
  277    HG   LEU  33           HG       LEU  33 -11.830   3.064   1.022
  278   1HD1  LEU  33          HD12      LEU  33 -11.183   2.541  -1.340
  279   2HD1  LEU  33          HD11      LEU  33 -10.558   0.988  -0.784
  280   3HD1  LEU  33          HD13      LEU  33 -12.278   1.351  -0.637
  281   1HD2  LEU  33          HD22      LEU  33 -10.055   0.803   1.900
  282   2HD2  LEU  33          HD21      LEU  33 -11.330   1.630   2.795
  283   3HD2  LEU  33          HD23      LEU  33 -11.747   0.471   1.532
  284    H    GLU  34           HN       GLU  34  -7.138   2.712   3.792
  285    HA   GLU  34           HA       GLU  34  -5.475   4.919   2.763
  286   1HB   GLU  34           HB2      GLU  34  -5.737   4.270   5.236
  287   2HB   GLU  34           HB1      GLU  34  -4.674   2.911   4.870
  288   1HG   GLU  34           HG2      GLU  34  -3.245   4.896   3.730
  289   2HG   GLU  34           HG1      GLU  34  -4.052   5.814   5.001
  290    H    PHE  35           HN       PHE  35  -3.198   2.776   3.713
  291    HA   PHE  35           HA       PHE  35  -3.067   1.123   1.306
  292   1HB   PHE  35           HB2      PHE  35  -1.073   3.367   1.721
  293   2HB   PHE  35           HB1      PHE  35  -0.928   2.095   0.510
  294    HD1  PHE  35           HD1      PHE  35  -2.653   1.903  -1.308
  295    HD2  PHE  35           HD2      PHE  35  -2.496   5.244   1.388
  296    HE1  PHE  35           HE1      PHE  35  -4.057   3.225  -2.865
  297    HE2  PHE  35           HE2      PHE  35  -3.902   6.565  -0.168
  298    HZ   PHE  35           HZ       PHE  35  -4.680   5.552  -2.290
  299    HA   PRO  36           HA       PRO  36  -0.880  -1.244   4.360
  300   1HB   PRO  36           HB2      PRO  36  -0.041  -3.128   2.401
  301   2HB   PRO  36           HB1      PRO  36  -1.454  -3.246   3.458
  302   1HG   PRO  36           HG2      PRO  36  -1.380  -2.686   0.593
  303   2HG   PRO  36           HG1      PRO  36  -2.777  -3.056   1.611
  304   1HD   PRO  36           HD2      PRO  36  -2.078  -0.519   0.533
  305   2HD   PRO  36           HD1      PRO  36  -3.367  -0.860   1.711
  306    H    GLY  37           HN       GLY  37   0.923   0.142   4.768
  307   1HA   GLY  37           HA2      GLY  37   2.933   0.901   2.956
  308   2HA   GLY  37           HA1      GLY  37   3.166   0.789   4.694
  309    H    GLY  38           HN       GLY  38   5.301   0.005   4.376
  310   1HA   GLY  38           HA2      GLY  38   5.784  -2.710   4.599
  311   2HA   GLY  38           HA1      GLY  38   5.843  -2.414   2.858
  312    H    LYS  39           HN       LYS  39   6.839   0.299   3.120
  313    HA   LYS  39           HA       LYS  39   8.859   1.465   3.280
  314   1HB   LYS  39           HB2      LYS  39   8.823   1.115   5.642
  315   2HB   LYS  39           HB1      LYS  39   9.293  -0.574   5.470
  316   1HG   LYS  39           HG2      LYS  39  11.277   0.608   6.113
  317   2HG   LYS  39           HG1      LYS  39  11.451   0.256   4.394
  318   1HD   LYS  39           HD2      LYS  39  10.359   2.585   4.029
  319   2HD   LYS  39           HD1      LYS  39  10.776   2.878   5.717
  320   1HE   LYS  39           HE2      LYS  39  12.893   1.773   3.913
  321   2HE   LYS  39           HE1      LYS  39  12.482   3.482   3.768
  322   1HZ   LYS  39           HZ3      LYS  39  12.741   2.652   6.490
  323   2HZ   LYS  39           HZ2      LYS  39  14.169   2.386   5.608
  324   3HZ   LYS  39           HZ1      LYS  39  13.488   3.940   5.680
  325    H    ILE  40           HN       ILE  40   9.817   1.068   1.302
  326    HA   ILE  40           HA       ILE  40  11.085  -1.526   0.770
  327    HB   ILE  40           HB       ILE  40  10.448  -0.792  -1.280
  328   1HG1  ILE  40          HG12      ILE  40  13.057  -0.687  -1.153
  329   2HG1  ILE  40          HG11      ILE  40  12.253  -0.014  -2.569
  330   1HG2  ILE  40          HG22      ILE  40  10.771   2.027  -0.243
  331   2HG2  ILE  40          HG21      ILE  40  10.288   1.645  -1.895
  332   3HG2  ILE  40          HG23      ILE  40   9.266   1.159  -0.542
  333   1HD1  ILE  40          HD12      ILE  40  12.491   1.933  -0.401
  334   2HD1  ILE  40          HD11      ILE  40  14.060   1.319  -0.922
  335   3HD1  ILE  40          HD13      ILE  40  12.977   2.074  -2.092
  336    H    GLU  41           HN       GLU  41  13.240  -1.993   1.003
  337    HA   GLU  41           HA       GLU  41  15.279   0.032   1.158
  338   1HB   GLU  41           HB2      GLU  41  15.765   0.039   3.486
  339   2HB   GLU  41           HB1      GLU  41  14.027   0.299   3.355
  340   1HG   GLU  41           HG2      GLU  41  13.524  -1.914   4.012
  341   2HG   GLU  41           HG1      GLU  41  15.161  -2.481   3.690
  342    H    MET  42           HN       MET  42  14.274  -3.287   1.826
  343    HA   MET  42           HA       MET  42  16.870  -4.414   2.176
  344   1HB   MET  42           HB2      MET  42  14.429  -5.723   0.939
  345   2HB   MET  42           HB1      MET  42  15.826  -6.558   1.619
  346   1HG   MET  42           HG2      MET  42  14.946  -4.737   3.598
  347   2HG   MET  42           HG1      MET  42  13.501  -5.539   2.984
  348   1HE   MET  42           HE2      MET  42  13.348  -5.968   5.330
  349   2HE   MET  42           HE1      MET  42  12.837  -7.598   4.903
  350   3HE   MET  42           HE3      MET  42  14.026  -7.349   6.188
  351    H    GLY  43           HN       GLY  43  18.227  -5.508   0.655
  352   1HA   GLY  43           HA2      GLY  43  19.338  -5.732  -1.397
  353   2HA   GLY  43           HA1      GLY  43  17.744  -5.646  -2.150
  354    H    GLU  44           HN       GLU  44  17.779  -4.088  -3.666
  355    HA   GLU  44           HA       GLU  44  18.385  -1.336  -2.927
  356   1HB   GLU  44           HB2      GLU  44  20.060  -1.199  -4.936
  357   2HB   GLU  44           HB1      GLU  44  20.645  -1.786  -3.379
  358   1HG   GLU  44           HG2      GLU  44  19.516  -3.746  -5.351
  359   2HG   GLU  44           HG1      GLU  44  21.162  -3.154  -5.572
  360    H    THR  45           HN       THR  45  16.313  -3.206  -4.203
  361    HA   THR  45           HA       THR  45  15.563  -1.326  -6.359
  362    HB   THR  45           HB       THR  45  16.137  -4.264  -6.691
  363    HG1  THR  45           HG1      THR  45  17.580  -3.451  -7.949
  364   1HG2  THR  45          HG23      THR  45  13.805  -2.886  -7.714
  365   2HG2  THR  45          HG22      THR  45  14.858  -3.382  -9.038
  366   3HG2  THR  45          HG21      THR  45  14.262  -4.577  -7.888
  367    HA   PRO  46           HA       PRO  46  11.655  -1.553  -4.367
  368   1HB   PRO  46           HB2      PRO  46  10.348  -1.741  -6.976
  369   2HB   PRO  46           HB1      PRO  46  10.292  -0.432  -5.786
  370   1HG   PRO  46           HG2      PRO  46  11.764  -0.458  -8.241
  371   2HG   PRO  46           HG1      PRO  46  11.815   0.781  -6.977
  372   1HD   PRO  46           HD2      PRO  46  13.893  -1.068  -7.673
  373   2HD   PRO  46           HD1      PRO  46  13.891   0.097  -6.334
  374    H    GLU  47           HN       GLU  47  12.757  -3.979  -6.633
  375    HA   GLU  47           HA       GLU  47  10.509  -5.775  -6.160
  376   1HB   GLU  47           HB2      GLU  47  12.822  -5.735  -7.866
  377   2HB   GLU  47           HB1      GLU  47  12.805  -7.253  -6.969
  378   1HG   GLU  47           HG2      GLU  47  10.779  -7.931  -7.880
  379   2HG   GLU  47           HG1      GLU  47  10.247  -6.278  -8.187
  380    H    GLN  48           HN       GLN  48  13.931  -6.593  -5.468
  381    HA   GLN  48           HA       GLN  48  13.372  -8.353  -3.367
  382   1HB   GLN  48           HB2      GLN  48  15.734  -6.542  -3.860
  383   2HB   GLN  48           HB1      GLN  48  15.647  -7.549  -2.401
  384   1HG   GLN  48           HG2      GLN  48  15.513  -9.566  -3.702
  385   2HG   GLN  48           HG1      GLN  48  15.301  -8.660  -5.200
  386   1HE2  GLN  48          HE22      GLN  48  19.022  -9.476  -3.946
  387   2HE2  GLN  48          HE21      GLN  48  17.638 -10.203  -3.280
  388    H    ALA  49           HN       ALA  49  13.516  -4.864  -3.309
  389    HA   ALA  49           HA       ALA  49  13.498  -4.525  -0.482
  390   1HB   ALA  49           HB1      ALA  49  13.028  -2.856  -2.857
  391   2HB   ALA  49           HB3      ALA  49  12.131  -2.341  -1.430
  392   3HB   ALA  49           HB2      ALA  49  13.888  -2.476  -1.366
  393    H    VAL  50           HN       VAL  50  10.727  -4.079  -2.709
  394    HA   VAL  50           HA       VAL  50   8.805  -4.159  -0.569
  395    HB   VAL  50           HB       VAL  50   8.628  -3.166  -2.977
  396   1HG1  VAL  50          HG12      VAL  50   7.601  -5.989  -3.416
  397   2HG1  VAL  50          HG11      VAL  50   7.412  -4.648  -4.544
  398   3HG1  VAL  50          HG13      VAL  50   9.017  -5.279  -4.188
  399   1HG2  VAL  50          HG21      VAL  50   6.828  -3.691  -1.000
  400   2HG2  VAL  50          HG23      VAL  50   6.440  -2.831  -2.491
  401   3HG2  VAL  50          HG22      VAL  50   6.106  -4.558  -2.356
  402    H    VAL  51           HN       VAL  51   9.679  -6.531  -3.011
  403    HA   VAL  51           HA       VAL  51   7.951  -8.621  -2.302
  404    HB   VAL  51           HB       VAL  51   9.597  -8.358  -4.295
  405   1HG1  VAL  51          HG11      VAL  51  11.577  -8.227  -2.698
  406   2HG1  VAL  51          HG13      VAL  51  11.367  -9.960  -2.447
  407   3HG1  VAL  51          HG12      VAL  51  11.751  -9.341  -4.054
  408   1HG2  VAL  51          HG23      VAL  51   8.143 -10.443  -3.375
  409   2HG2  VAL  51          HG22      VAL  51   9.138 -10.527  -4.829
  410   3HG2  VAL  51          HG21      VAL  51   9.760 -11.143  -3.297
  411    H    ARG  52           HN       ARG  52  11.137  -7.783  -0.955
  412    HA   ARG  52           HA       ARG  52  11.164 -10.093   0.835
  413   1HB   ARG  52           HB2      ARG  52  12.863  -7.574   0.787
  414   2HB   ARG  52           HB1      ARG  52  13.179  -8.977   1.795
  415   1HG   ARG  52           HG2      ARG  52  12.904  -9.269  -1.184
  416   2HG   ARG  52           HG1      ARG  52  14.441  -8.801  -0.462
  417   1HD   ARG  52           HD2      ARG  52  14.657 -10.829   0.703
  418   2HD   ARG  52           HD1      ARG  52  12.937 -11.200   0.564
  419    HE   ARG  52           HE       ARG  52  13.806 -11.157  -2.061
  420   1HH1  ARG  52          HH11      ARG  52  16.448 -11.994  -0.770
  421   2HH1  ARG  52          HH12      ARG  52  16.326 -13.719  -0.861
  422   1HH2  ARG  52          HH21      ARG  52  12.914 -13.707  -1.491
  423   2HH2  ARG  52          HH22      ARG  52  14.323 -14.689  -1.270
  424    H    GLU  53           HN       GLU  53  10.249  -6.730   0.873
  425    HA   GLU  53           HA       GLU  53   9.713  -6.561   3.718
  426   1HB   GLU  53           HB2      GLU  53   8.692  -4.920   1.390
  427   2HB   GLU  53           HB1      GLU  53   8.432  -4.523   3.090
  428   1HG   GLU  53           HG2      GLU  53  11.228  -5.059   2.241
  429   2HG   GLU  53           HG1      GLU  53  10.500  -3.549   1.696
  430    H    LEU  54           HN       LEU  54   8.309  -8.060   1.068
  431    HA   LEU  54           HA       LEU  54   5.532  -7.973   1.924
  432   1HB   LEU  54           HB2      LEU  54   7.108  -8.919  -0.341
  433   2HB   LEU  54           HB1      LEU  54   5.869 -10.086   0.121
  434    HG   LEU  54           HG       LEU  54   4.930  -8.537  -1.505
  435   1HD1  LEU  54          HD13      LEU  54   3.873  -9.016   1.042
  436   2HD1  LEU  54          HD12      LEU  54   3.627  -7.291   0.775
  437   3HD1  LEU  54          HD11      LEU  54   2.983  -8.462  -0.377
  438   1HD2  LEU  54          HD21      LEU  54   6.182  -6.515   0.327
  439   2HD2  LEU  54          HD23      LEU  54   6.201  -6.586  -1.435
  440   3HD2  LEU  54          HD22      LEU  54   4.745  -6.063  -0.589
  441    H    GLN  55           HN       GLN  55   7.983 -10.540   1.663
  442    HA   GLN  55           HA       GLN  55   6.460 -12.478   3.148
  443   1HB   GLN  55           HB2      GLN  55   8.686 -13.679   3.300
  444   2HB   GLN  55           HB1      GLN  55   8.173 -13.282   1.664
  445   1HG   GLN  55           HG2      GLN  55  10.251 -12.394   1.471
  446   2HG   GLN  55           HG1      GLN  55   9.560 -11.020   2.336
  447   1HE2  GLN  55          HE22      GLN  55  11.515 -13.702   4.764
  448   2HE2  GLN  55          HE21      GLN  55  10.420 -14.280   3.605
  449    H    GLU  56           HN       GLU  56   8.904 -10.090   4.125
  450    HA   GLU  56           HA       GLU  56   9.386 -11.200   6.706
  451   1HB   GLU  56           HB2      GLU  56  10.201  -8.900   7.300
  452   2HB   GLU  56           HB1      GLU  56  10.918  -9.573   5.840
  453   1HG   GLU  56           HG2      GLU  56  10.388  -7.499   5.059
  454   2HG   GLU  56           HG1      GLU  56   8.862  -8.304   4.697
  455    H    GLU  57           HN       GLU  57   6.689  -9.256   5.561
  456    HA   GLU  57           HA       GLU  57   5.869  -8.560   8.285
  457   1HB   GLU  57           HB2      GLU  57   3.890  -8.440   6.059
  458   2HB   GLU  57           HB1      GLU  57   4.219  -7.278   7.337
  459   1HG   GLU  57           HG2      GLU  57   6.580  -7.291   5.919
  460   2HG   GLU  57           HG1      GLU  57   5.369  -7.475   4.654
  461    H    VAL  58           HN       VAL  58   3.777 -10.186   5.906
  462    HA   VAL  58           HA       VAL  58   2.605 -11.815   8.021
  463    HB   VAL  58           HB       VAL  58   2.196 -11.694   5.032
  464   1HG1  VAL  58          HG12      VAL  58   1.637 -13.901   6.349
  465   2HG1  VAL  58          HG11      VAL  58   0.250 -12.965   6.910
  466   3HG1  VAL  58          HG13      VAL  58   0.484 -13.246   5.185
  467   1HG2  VAL  58          HG23      VAL  58   0.696 -10.582   7.410
  468   2HG2  VAL  58          HG22      VAL  58   1.436  -9.679   6.087
  469   3HG2  VAL  58          HG21      VAL  58   0.000 -10.659   5.791
  470    H    GLY  59           HN       GLY  59   3.516 -13.061   4.822
  471   1HA   GLY  59           HA2      GLY  59   5.747 -14.496   5.066
  472   2HA   GLY  59           HA1      GLY  59   4.735 -15.396   6.189
  473    H    ILE  60           HN       ILE  60   3.183 -14.045   3.344
  474    HA   ILE  60           HA       ILE  60   2.574 -16.770   2.444
  475    HB   ILE  60           HB       ILE  60   1.210 -15.676   0.718
  476   1HG1  ILE  60          HG12      ILE  60   1.540 -12.941   1.602
  477   2HG1  ILE  60          HG11      ILE  60   3.079 -13.607   1.047
  478   1HG2  ILE  60          HG23      ILE  60   0.936 -15.256   3.561
  479   2HG2  ILE  60          HG22      ILE  60   0.261 -13.880   2.691
  480   3HG2  ILE  60          HG21      ILE  60  -0.328 -15.507   2.358
  481   1HD1  ILE  60          HD11      ILE  60   0.830 -14.342  -0.680
  482   2HD1  ILE  60          HD13      ILE  60   1.094 -12.600  -0.597
  483   3HD1  ILE  60          HD12      ILE  60   2.401 -13.667  -1.109
  484    H    THR  61           HN       THR  61   2.659 -15.783  -0.494
  485    HA   THR  61           HA       THR  61   5.565 -15.500  -0.878
  486    HB   THR  61           HB       THR  61   4.077 -18.037  -1.494
  487    HG1  THR  61           HG1      THR  61   6.748 -17.873  -0.787
  488   1HG2  THR  61          HG22      THR  61   5.939 -16.681  -3.275
  489   2HG2  THR  61          HG21      THR  61   6.596 -18.217  -2.717
  490   3HG2  THR  61          HG23      THR  61   5.039 -18.174  -3.541
  491    HA   PRO  62           HA       PRO  62   3.691 -15.078  -5.278
  492   1HB   PRO  62           HB2      PRO  62   0.876 -15.489  -5.274
  493   2HB   PRO  62           HB1      PRO  62   2.103 -16.483  -6.068
  494   1HG   PRO  62           HG2      PRO  62   0.559 -17.089  -3.683
  495   2HG   PRO  62           HG1      PRO  62   1.648 -18.147  -4.588
  496   1HD   PRO  62           HD2      PRO  62   2.147 -16.987  -2.031
  497   2HD   PRO  62           HD1      PRO  62   3.295 -17.880  -3.047
  498    H    GLN  63           HN       GLN  63   1.757 -13.584  -6.138
  499    HA   GLN  63           HA       GLN  63   0.182 -11.841  -4.841
  500   1HB   GLN  63           HB2      GLN  63   1.720  -9.924  -4.191
  501   2HB   GLN  63           HB1      GLN  63   1.799 -11.320  -3.123
  502   1HG   GLN  63           HG2      GLN  63   3.860 -12.035  -3.991
  503   2HG   GLN  63           HG1      GLN  63   3.669 -11.092  -5.469
  504   1HE2  GLN  63          HE22      GLN  63   4.270  -7.982  -3.404
  505   2HE2  GLN  63          HE21      GLN  63   2.932  -8.561  -4.270
  506    H    HIS  64           HN       HIS  64   2.825 -12.328  -7.034
  507    HA   HIS  64           HA       HIS  64   3.315 -11.331  -9.122
  508   1HB   HIS  64           HB2      HIS  64   0.525 -11.960  -8.864
  509   2HB   HIS  64           HB1      HIS  64   0.718 -10.559  -9.920
  510    HD1  HIS  64           HD1      HIS  64  -0.231 -13.038 -11.319
  511    HD2  HIS  64           HD2      HIS  64   3.846 -12.261 -10.693
  512    HE1  HIS  64           HE1      HIS  64   1.065 -14.418 -13.024
  513    H    PHE  65           HN       PHE  65   4.042  -9.564  -7.421
  514    HA   PHE  65           HA       PHE  65   2.572  -7.166  -7.099
  515   1HB   PHE  65           HB2      PHE  65   4.865  -6.155  -6.714
  516   2HB   PHE  65           HB1      PHE  65   4.486  -7.574  -5.734
  517    HD1  PHE  65           HD1      PHE  65   5.971  -6.708  -9.074
  518    HD2  PHE  65           HD2      PHE  65   6.036  -9.321  -5.662
  519    HE1  PHE  65           HE1      PHE  65   7.934  -7.895 -10.019
  520    HE2  PHE  65           HE2      PHE  65   8.000 -10.506  -6.609
  521    HZ   PHE  65           HZ       PHE  65   8.946  -9.794  -8.786
  522    H    SER  66           HN       SER  66   2.838  -5.135  -8.135
  523    HA   SER  66           HA       SER  66   4.184  -4.999 -10.749
  524   1HB   SER  66           HB2      SER  66   1.325  -5.456 -10.489
  525   2HB   SER  66           HB1      SER  66   1.643  -3.904 -11.258
  526    HG   SER  66           HG       SER  66   3.032  -6.236 -12.027
  527    H    LEU  67           HN       LEU  67   4.805  -2.838 -11.122
  528    HA   LEU  67           HA       LEU  67   4.642  -1.038  -8.897
  529   1HB   LEU  67           HB2      LEU  67   6.313  -1.148 -10.964
  530   2HB   LEU  67           HB1      LEU  67   5.182   0.007 -11.650
  531    HG   LEU  67           HG       LEU  67   7.242   0.425  -9.645
  532   1HD1  LEU  67          HD12      LEU  67   5.374   2.156 -11.266
  533   2HD1  LEU  67          HD11      LEU  67   6.586   2.833 -10.177
  534   3HD1  LEU  67          HD13      LEU  67   7.086   1.843 -11.548
  535   1HD2  LEU  67          HD22      LEU  67   4.398   1.152  -8.888
  536   2HD2  LEU  67          HD21      LEU  67   5.592   0.296  -7.913
  537   3HD2  LEU  67          HD23      LEU  67   5.795   2.016  -8.248
  538    H    PHE  68           HN       PHE  68   3.360  -0.471 -12.168
  539    HA   PHE  68           HA       PHE  68   1.284   0.362 -12.855
  540   1HB   PHE  68           HB2      PHE  68  -0.364  -0.300 -11.475
  541   2HB   PHE  68           HB1      PHE  68   0.750  -0.444 -10.136
  542    HD1  PHE  68           HD2      PHE  68  -1.603   1.795 -11.891
  543    HD2  PHE  68           HD1      PHE  68   0.965   1.325  -8.481
  544    HE1  PHE  68           HE2      PHE  68  -2.641   3.782 -10.835
  545    HE2  PHE  68           HE1      PHE  68  -0.073   3.312  -7.424
  546    HZ   PHE  68           HZ       PHE  68  -1.877   4.541  -8.601
  547    H    GLU  69           HN       GLU  69   2.674   1.994  -9.983
  548    HA   GLU  69           HA       GLU  69   3.636   4.260 -11.217
  549   1HB   GLU  69           HB2      GLU  69   0.711   4.256 -11.192
  550   2HB   GLU  69           HB1      GLU  69   1.383   5.665 -10.369
  551   1HG   GLU  69           HG2      GLU  69   2.990   5.555 -12.569
  552   2HG   GLU  69           HG1      GLU  69   1.478   4.936 -13.233
  553    H    LYS  70           HN       LYS  70   3.543   6.253  -9.561
  554    HA   LYS  70           HA       LYS  70   3.052   5.440  -6.796
  555   1HB   LYS  70           HB2      LYS  70   5.566   5.894  -6.265
  556   2HB   LYS  70           HB1      LYS  70   5.104   4.313  -6.888
  557   1HG   LYS  70           HG2      LYS  70   6.175   4.641  -8.863
  558   2HG   LYS  70           HG1      LYS  70   5.665   6.325  -8.968
  559   1HD   LYS  70           HD2      LYS  70   8.134   6.091  -8.692
  560   2HD   LYS  70           HD1      LYS  70   7.387   6.989  -7.371
  561   1HE   LYS  70           HE2      LYS  70   7.206   4.455  -6.401
  562   2HE   LYS  70           HE1      LYS  70   8.689   4.329  -7.346
  563   1HZ   LYS  70           HZ2      LYS  70   8.196   6.533  -5.428
  564   2HZ   LYS  70           HZ1      LYS  70   8.953   5.079  -4.979
  565   3HZ   LYS  70           HZ3      LYS  70   9.668   6.080  -6.146
  566    H    LEU  71           HN       LEU  71   4.052   7.224  -5.287
  567    HA   LEU  71           HA       LEU  71   4.074   9.855  -6.679
  568   1HB   LEU  71           HB2      LEU  71   2.683  10.729  -4.699
  569   2HB   LEU  71           HB1      LEU  71   1.831   9.788  -5.919
  570    HG   LEU  71           HG       LEU  71   1.858   7.817  -4.526
  571   1HD1  LEU  71          HD11      LEU  71   3.751   9.452  -2.837
  572   2HD1  LEU  71          HD13      LEU  71   2.839   8.116  -2.133
  573   3HD1  LEU  71          HD12      LEU  71   3.964   7.814  -3.456
  574   1HD2  LEU  71          HD21      LEU  71   0.563  10.213  -3.826
  575   2HD2  LEU  71          HD23      LEU  71   0.117   8.587  -3.309
  576   3HD2  LEU  71          HD22      LEU  71   1.185   9.568  -2.307
  577    H    GLU  72           HN       GLU  72   4.541  11.578  -4.799
  578    HA   GLU  72           HA       GLU  72   6.360  10.567  -2.731
  579   1HB   GLU  72           HB2      GLU  72   7.554  10.996  -5.116
  580   2HB   GLU  72           HB1      GLU  72   7.596  12.640  -4.477
  581   1HG   GLU  72           HG2      GLU  72   8.649  11.769  -2.390
  582   2HG   GLU  72           HG1      GLU  72   8.690  10.155  -3.107
  583    H    TYR  73           HN       TYR  73   4.865  11.608  -1.335
  584    HA   TYR  73           HA       TYR  73   4.224  14.435  -1.716
  585   1HB   TYR  73           HB2      TYR  73   3.019  12.311  -0.384
  586   2HB   TYR  73           HB1      TYR  73   3.653  13.308   0.922
  587    HD1  TYR  73           HD2      TYR  73   1.913  13.743  -2.375
  588    HD2  TYR  73           HD1      TYR  73   2.297  15.027   1.706
  589    HE1  TYR  73           HE2      TYR  73   0.057  15.353  -2.707
  590    HE2  TYR  73           HE1      TYR  73   0.441  16.637   1.374
  591    HH   TYR  73           HH       TYR  73  -1.292  16.829  -1.736
  592    H    GLU  74           HN       GLU  74   4.749  16.023   0.060
  593    HA   GLU  74           HA       GLU  74   7.422  15.343   1.188
  594   1HB   GLU  74           HB2      GLU  74   6.458  17.665  -0.328
  595   2HB   GLU  74           HB1      GLU  74   7.327  18.105   1.142
  596   1HG   GLU  74           HG2      GLU  74   9.194  16.612   0.457
  597   2HG   GLU  74           HG1      GLU  74   8.335  16.258  -1.042
  598    H    PHE  75           HN       PHE  75   7.973  16.484   3.203
  599    HA   PHE  75           HA       PHE  75   5.587  17.208   4.853
  600   1HB   PHE  75           HB2      PHE  75   7.343  14.958   5.145
  601   2HB   PHE  75           HB1      PHE  75   7.628  16.052   6.497
  602    HD1  PHE  75           HD2      PHE  75   4.444  15.612   4.616
  603    HD2  PHE  75           HD1      PHE  75   6.565  14.877   8.277
  604    HE1  PHE  75           HE2      PHE  75   2.338  14.851   5.683
  605    HE2  PHE  75           HE1      PHE  75   4.461  14.115   9.345
  606    HZ   PHE  75           HZ       PHE  75   2.347  14.102   8.048
  607    HA   PRO  76           HA       PRO  76   7.713  20.708   6.452
  608   1HB   PRO  76           HB2      PRO  76   8.458  19.657   9.073
  609   2HB   PRO  76           HB1      PRO  76   7.265  20.901   8.675
  610   1HG   PRO  76           HG2      PRO  76   6.723  18.231   9.506
  611   2HG   PRO  76           HG1      PRO  76   5.547  19.412   8.910
  612   1HD   PRO  76           HD2      PRO  76   6.517  17.036   7.596
  613   2HD   PRO  76           HD1      PRO  76   5.289  18.174   7.014
  614    H    ASP  77           HN       ASP  77   9.251  17.612   6.802
  615    HA   ASP  77           HA       ASP  77  11.753  18.547   5.732
  616   1HB   ASP  77           HB2      ASP  77  13.078  17.847   7.845
  617   2HB   ASP  77           HB1      ASP  77  12.299  19.429   7.875
  618    H    ARG  78           HN       ARG  78   9.707  16.508   5.371
  619    HA   ARG  78           HA       ARG  78  11.473  14.117   5.460
  620   1HB   ARG  78           HB2      ARG  78   9.200  14.542   7.122
  621   2HB   ARG  78           HB1      ARG  78   8.759  13.317   5.930
  622   1HG   ARG  78           HG2      ARG  78   9.752  12.194   7.827
  623   2HG   ARG  78           HG1      ARG  78  10.887  12.104   6.483
  624   1HD   ARG  78           HD2      ARG  78  12.447  13.256   7.626
  625   2HD   ARG  78           HD1      ARG  78  11.299  14.539   8.002
  626    HE   ARG  78           HE       ARG  78  12.235  12.853   9.949
  627   1HH1  ARG  78          HH21      ARG  78  10.228  10.813   9.469
  628   2HH1  ARG  78          HH22      ARG  78   8.857  11.356  10.377
  629   1HH2  ARG  78          HH11      ARG  78  10.012  14.613  10.673
  630   2HH2  ARG  78          HH12      ARG  78   8.734  13.510  11.057
  631    H    HIS  79           HN       HIS  79  11.719  14.232   3.171
  632    HA   HIS  79           HA       HIS  79   9.372  14.414   1.435
  633   1HB   HIS  79           HB2      HIS  79  11.796  15.177   0.914
  634   2HB   HIS  79           HB1      HIS  79  12.114  13.473   0.597
  635    HD1  HIS  79           HD1      HIS  79  12.412  15.200  -1.806
  636    HD2  HIS  79           HD2      HIS  79   8.681  13.666  -0.643
  637    HE1  HIS  79           HE1      HIS  79  10.918  15.220  -3.866
  638    H    ILE  80           HN       ILE  80   8.071  12.623   2.005
  639    HA   ILE  80           HA       ILE  80   9.240   9.944   2.083
  640    HB   ILE  80           HB       ILE  80   6.304  10.675   2.106
  641   1HG1  ILE  80          HG12      ILE  80   7.265  11.934   3.900
  642   2HG1  ILE  80          HG11      ILE  80   6.651  10.456   4.642
  643   1HG2  ILE  80          HG23      ILE  80   7.879   8.231   2.381
  644   2HG2  ILE  80          HG22      ILE  80   6.823   8.494   3.756
  645   3HG2  ILE  80          HG21      ILE  80   6.149   8.418   2.127
  646   1HD1  ILE  80          HD11      ILE  80   9.121   9.607   4.013
  647   2HD1  ILE  80          HD13      ILE  80   9.465  11.325   4.203
  648   3HD1  ILE  80          HD12      ILE  80   8.765  10.413   5.541
  649    H    THR  81           HN       THR  81   8.530   8.215   0.769
  650    HA   THR  81           HA       THR  81   7.450   8.917  -1.912
  651    HB   THR  81           HB       THR  81   9.542   6.782  -1.531
  652    HG1  THR  81           HG1      THR  81  11.045   8.483  -2.206
  653   1HG2  THR  81          HG21      THR  81   8.193   8.173  -3.742
  654   2HG2  THR  81          HG23      THR  81   9.940   8.037  -3.949
  655   3HG2  THR  81          HG22      THR  81   8.963   6.587  -3.713
  656    H    LEU  82           HN       LEU  82   6.254   7.029  -2.837
  657    HA   LEU  82           HA       LEU  82   5.817   4.840  -0.871
  658   1HB   LEU  82           HB2      LEU  82   4.063   6.958  -1.065
  659   2HB   LEU  82           HB1      LEU  82   3.331   5.756  -2.130
  660    HG   LEU  82           HG       LEU  82   3.987   4.161  -0.063
  661   1HD1  LEU  82          HD13      LEU  82   4.703   6.557   0.987
  662   2HD1  LEU  82          HD12      LEU  82   3.016   6.487   1.497
  663   3HD1  LEU  82          HD11      LEU  82   4.133   5.204   1.964
  664   1HD2  LEU  82          HD22      LEU  82   1.577   5.777  -0.747
  665   2HD2  LEU  82          HD21      LEU  82   1.766   4.026  -0.658
  666   3HD2  LEU  82          HD23      LEU  82   1.578   4.968   0.821
  667    H    TRP  83           HN       TRP  83   7.003   3.554  -2.476
  668    HA   TRP  83           HA       TRP  83   6.236   3.299  -5.201
  669   1HB   TRP  83           HB2      TRP  83   7.289   1.181  -3.300
  670   2HB   TRP  83           HB1      TRP  83   7.207   1.001  -5.053
  671    HD1  TRP  83           HD1      TRP  83   8.878   3.193  -2.370
  672    HE1  TRP  83           HE1      TRP  83  11.079   4.175  -3.343
  673    HE3  TRP  83           HE3      TRP  83   8.492   1.507  -7.172
  674    HZ2  TRP  83           HZ2      TRP  83  12.450   4.210  -5.858
  675    HZ3  TRP  83           HZ3      TRP  83  10.254   2.025  -8.835
  676    HH2  TRP  83           HH2      TRP  83  12.230   3.373  -8.186
  677    H    PHE  84           HN       PHE  84   4.122   2.980  -5.824
  678    HA   PHE  84           HA       PHE  84   2.321   1.338  -4.161
  679   1HB   PHE  84           HB2      PHE  84   1.947   2.970  -6.674
  680   2HB   PHE  84           HB1      PHE  84   0.705   1.854  -6.111
  681    HD1  PHE  84           HD2      PHE  84   2.790   4.746  -4.999
  682    HD2  PHE  84           HD1      PHE  84  -0.777   2.440  -4.391
  683    HE1  PHE  84           HE2      PHE  84   1.996   6.411  -3.337
  684    HE2  PHE  84           HE1      PHE  84  -1.575   4.104  -2.739
  685    HZ   PHE  84           HZ       PHE  84  -0.192   6.093  -2.214
  686    H    TRP  85           HN       TRP  85   3.706  -0.648  -4.574
  687    HA   TRP  85           HA       TRP  85   3.625  -1.731  -7.288
  688   1HB   TRP  85           HB2      TRP  85   4.547  -2.805  -4.622
  689   2HB   TRP  85           HB1      TRP  85   4.489  -3.824  -6.062
  690    HD1  TRP  85           HD1      TRP  85   6.383  -0.939  -4.506
  691    HE1  TRP  85           HE1      TRP  85   8.454  -0.364  -5.959
  692    HE3  TRP  85           HE3      TRP  85   5.400  -3.885  -8.554
  693    HZ2  TRP  85           HZ2      TRP  85   9.515  -1.101  -8.521
  694    HZ3  TRP  85           HZ3      TRP  85   6.954  -3.933 -10.483
  695    HH2  TRP  85           HH2      TRP  85   9.008  -2.548 -10.473
  696    H    LEU  86           HN       LEU  86   1.339  -1.823  -7.749
  697    HA   LEU  86           HA       LEU  86  -0.522  -3.131  -5.972
  698   1HB   LEU  86           HB2      LEU  86  -0.559  -2.247  -8.832
  699   2HB   LEU  86           HB1      LEU  86  -1.814  -3.354  -8.278
  700    HG   LEU  86           HG       LEU  86  -2.646  -1.118  -7.981
  701   1HD1  LEU  86          HD12      LEU  86  -2.832  -2.879  -6.072
  702   2HD1  LEU  86          HD11      LEU  86  -1.697  -1.833  -5.218
  703   3HD1  LEU  86          HD13      LEU  86  -3.267  -1.206  -5.724
  704   1HD2  LEU  86          HD22      LEU  86  -0.201  -0.203  -7.931
  705   2HD2  LEU  86          HD21      LEU  86  -1.439   0.651  -7.009
  706   3HD2  LEU  86          HD23      LEU  86  -0.324  -0.441  -6.189
  707    H    VAL  87           HN       VAL  87  -0.970  -5.272  -5.736
  708    HA   VAL  87           HA       VAL  87   0.255  -7.167  -7.705
  709    HB   VAL  87           HB       VAL  87   1.169  -8.414  -6.024
  710   1HG1  VAL  87          HG13      VAL  87   0.581  -5.834  -4.559
  711   2HG1  VAL  87          HG12      VAL  87   1.687  -7.072  -3.963
  712   3HG1  VAL  87          HG11      VAL  87   2.033  -6.233  -5.475
  713   1HG2  VAL  87          HG21      VAL  87  -1.287  -7.741  -4.375
  714   2HG2  VAL  87          HG23      VAL  87  -0.912  -9.282  -5.147
  715   3HG2  VAL  87          HG22      VAL  87   0.047  -8.725  -3.775
  716    H    GLU  88           HN       GLU  88  -1.037  -9.404  -7.614
  717    HA   GLU  88           HA       GLU  88  -3.859  -8.988  -6.856
  718   1HB   GLU  88           HB2      GLU  88  -3.040  -9.415  -9.735
  719   2HB   GLU  88           HB1      GLU  88  -4.698  -9.386  -9.136
  720   1HG   GLU  88           HG2      GLU  88  -4.177  -7.055  -8.217
  721   2HG   GLU  88           HG1      GLU  88  -2.703  -7.110  -9.185
  722    H    ARG  89           HN       ARG  89  -1.615 -11.148  -6.392
  723    HA   ARG  89           HA       ARG  89  -3.526 -13.346  -6.549
  724   1HB   ARG  89           HB2      ARG  89  -2.525 -14.744  -8.131
  725   2HB   ARG  89           HB1      ARG  89  -2.406 -13.156  -8.881
  726   1HG   ARG  89           HG2      ARG  89  -0.201 -13.514  -9.069
  727   2HG   ARG  89           HG1      ARG  89  -0.089 -13.388  -7.312
  728   1HD   ARG  89           HD2      ARG  89   0.833 -15.490  -7.645
  729   2HD   ARG  89           HD1      ARG  89  -0.867 -15.929  -7.441
  730    HE   ARG  89           HE       ARG  89  -0.655 -15.497 -10.156
  731   1HH1  ARG  89          HH21      ARG  89   2.241 -16.387  -9.267
  732   2HH1  ARG  89          HH22      ARG  89   2.179 -18.046  -9.757
  733   1HH2  ARG  89          HH11      ARG  89  -1.260 -18.069 -10.191
  734   2HH2  ARG  89          HH12      ARG  89   0.200 -18.999 -10.275
  735    H    TRP  90           HN       TRP  90  -2.576 -12.482  -4.261
  736    HA   TRP  90           HA       TRP  90  -0.090 -13.755  -3.447
  737   1HB   TRP  90           HB2      TRP  90  -0.706 -13.063  -1.207
  738   2HB   TRP  90           HB1      TRP  90  -1.087 -11.745  -2.322
  739    HD1  TRP  90           HD1      TRP  90  -2.866 -14.790  -0.730
  740    HE1  TRP  90           HE1      TRP  90  -5.334 -14.172  -0.245
  741    HE3  TRP  90           HE3      TRP  90  -2.949 -10.058  -2.667
  742    HZ2  TRP  90           HZ2      TRP  90  -7.077 -11.947  -0.644
  743    HZ3  TRP  90           HZ3      TRP  90  -5.038  -8.718  -2.596
  744    HH2  TRP  90           HH2      TRP  90  -7.094  -9.656  -1.590
  745    H    GLU  91           HN       GLU  91   0.019 -15.562  -1.894
  746    HA   GLU  91           HA       GLU  91  -1.920 -17.656  -2.579
  747   1HB   GLU  91           HB2      GLU  91  -0.492 -19.173  -1.464
  748   2HB   GLU  91           HB1      GLU  91   0.617 -17.993  -2.139
  749   1HG   GLU  91           HG2      GLU  91   1.432 -17.735  -0.049
  750   2HG   GLU  91           HG1      GLU  91  -0.078 -16.918   0.339
  751    H    GLY  92           HN       GLY  92  -3.464 -18.542  -1.222
  752   1HA   GLY  92           HA2      GLY  92  -5.234 -18.200   0.340
  753   2HA   GLY  92           HA1      GLY  92  -3.908 -18.631   1.411
  754    H    GLU  93           HN       GLU  93  -2.687 -16.846   2.405
  755    HA   GLU  93           HA       GLU  93  -4.463 -14.552   2.983
  756   1HB   GLU  93           HB2      GLU  93  -1.902 -15.542   4.225
  757   2HB   GLU  93           HB1      GLU  93  -2.708 -14.067   4.731
  758   1HG   GLU  93           HG2      GLU  93  -4.548 -16.335   4.568
  759   2HG   GLU  93           HG1      GLU  93  -3.241 -16.602   5.725
  760    HA   PRO  94           HA       PRO  94  -1.996 -11.686   0.751
  761   1HB   PRO  94           HB2      PRO  94  -2.669  -9.421   2.181
  762   2HB   PRO  94           HB1      PRO  94  -3.748 -10.190   1.006
  763   1HG   PRO  94           HG2      PRO  94  -3.890 -10.202   3.968
  764   2HG   PRO  94           HG1      PRO  94  -5.185 -10.459   2.792
  765   1HD   PRO  94           HD2      PRO  94  -3.824 -12.455   4.300
  766   2HD   PRO  94           HD1      PRO  94  -4.956 -12.732   2.957
  767    H    TRP  95           HN       TRP  95  -0.885  -9.330   1.888
  768    HA   TRP  95           HA       TRP  95   0.516  -9.537   4.284
  769   1HB   TRP  95           HB2      TRP  95   2.748 -10.304   3.593
  770   2HB   TRP  95           HB1      TRP  95   1.550 -11.568   3.377
  771    HD1  TRP  95           HD1      TRP  95   0.569  -9.787   0.586
  772    HE1  TRP  95           HE1      TRP  95   1.882 -10.376  -1.565
  773    HE3  TRP  95           HE3      TRP  95   4.655 -12.007   2.689
  774    HZ2  TRP  95           HZ2      TRP  95   4.349 -11.660  -2.249
  775    HZ3  TRP  95           HZ3      TRP  95   6.462 -12.903   1.260
  776    HH2  TRP  95           HH2      TRP  95   6.322 -12.729  -1.205
  777    H    GLY  96           HN       GLY  96   0.839  -7.403   4.552
  778   1HA   GLY  96           HA2      GLY  96   2.705  -5.824   3.235
  779   2HA   GLY  96           HA1      GLY  96   1.221  -5.592   2.308
  780    H    LYS  97           HN       LYS  97  -0.563  -5.866   4.526
  781    HA   LYS  97           HA       LYS  97  -1.064  -3.313   5.354
  782   1HB   LYS  97           HB2      LYS  97  -1.706  -4.577   7.670
  783   2HB   LYS  97           HB1      LYS  97  -2.702  -4.639   6.218
  784   1HG   LYS  97           HG2      LYS  97  -2.253  -6.894   7.227
  785   2HG   LYS  97           HG1      LYS  97  -1.712  -6.753   5.559
  786   1HD   LYS  97           HD2      LYS  97   0.152  -7.730   6.542
  787   2HD   LYS  97           HD1      LYS  97   0.568  -6.025   6.682
  788   1HE   LYS  97           HE2      LYS  97  -0.329  -5.986   8.978
  789   2HE   LYS  97           HE1      LYS  97  -0.759  -7.691   8.838
  790   1HZ   LYS  97           HZ3      LYS  97   1.837  -7.670   8.105
  791   2HZ   LYS  97           HZ2      LYS  97   1.807  -6.477   9.316
  792   3HZ   LYS  97           HZ1      LYS  97   1.269  -8.053   9.657
  793    H    GLU  98           HN       GLU  98   0.830  -2.076   5.754
  794    HA   GLU  98           HA       GLU  98   2.812  -2.848   7.711
  795   1HB   GLU  98           HB2      GLU  98   2.759  -0.942   5.803
  796   2HB   GLU  98           HB1      GLU  98   2.317   0.042   7.199
  797   1HG   GLU  98           HG2      GLU  98   4.722   0.084   7.034
  798   2HG   GLU  98           HG1      GLU  98   4.310  -0.945   8.406
  799    H    GLY  99           HN       GLY  99   1.787  -3.373   9.690
  800   1HA   GLY  99           HA2      GLY  99   0.649  -2.980  11.709
  801   2HA   GLY  99           HA1      GLY  99   1.237  -1.324  11.543
  802    H    GLN 100           HN       GLN 100  -1.026  -3.183   9.525
  803    HA   GLN 100           HA       GLN 100  -3.229  -1.369  10.318
  804   1HB   GLN 100           HB2      GLN 100  -3.087  -0.141   8.434
  805   2HB   GLN 100           HB1      GLN 100  -1.685  -1.066   7.931
  806   1HG   GLN 100           HG2      GLN 100  -2.949  -2.510   6.594
  807   2HG   GLN 100           HG1      GLN 100  -4.446  -2.168   7.457
  808   1HE2  GLN 100          HE22      GLN 100  -4.502   1.238   5.887
  809   2HE2  GLN 100          HE21      GLN 100  -4.443   0.653   7.477
  810    HA   PRO 101           HA       PRO 101  -5.685  -4.958  10.030
  811   1HB   PRO 101           HB2      PRO 101  -7.844  -3.943   8.466
  812   2HB   PRO 101           HB1      PRO 101  -7.750  -4.033  10.230
  813   1HG   PRO 101           HG2      PRO 101  -7.588  -1.677   8.553
  814   2HG   PRO 101           HG1      PRO 101  -7.598  -1.763  10.317
  815   1HD   PRO 101           HD2      PRO 101  -5.368  -1.162   8.612
  816   2HD   PRO 101           HD1      PRO 101  -5.376  -1.311  10.369
  817    H    GLY 102           HN       GLY 102  -5.894  -3.202   6.929
  818   1HA   GLY 102           HA2      GLY 102  -5.649  -3.963   4.734
  819   2HA   GLY 102           HA1      GLY 102  -4.571  -5.194   5.403
  820    H    GLU 103           HN       GLU 103  -7.490  -4.726   3.850
  821    HA   GLU 103           HA       GLU 103  -8.189  -7.568   4.308
  822   1HB   GLU 103           HB2      GLU 103 -10.599  -6.953   4.743
  823   2HB   GLU 103           HB1      GLU 103  -9.492  -6.540   6.051
  824   1HG   GLU 103           HG2      GLU 103  -9.343  -4.224   5.144
  825   2HG   GLU 103           HG1      GLU 103 -10.551  -4.650   3.930
  826    H    TRP 104           HN       TRP 104  -8.894  -8.488   2.420
  827    HA   TRP 104           HA       TRP 104  -8.782  -7.181  -0.050
  828   1HB   TRP 104           HB2      TRP 104 -10.942  -9.234   0.197
  829   2HB   TRP 104           HB1      TRP 104  -9.672  -9.083  -1.016
  830    HD1  TRP 104           HD1      TRP 104  -7.064  -9.337   0.364
  831    HE1  TRP 104           HE1      TRP 104  -6.352 -11.382   1.796
  832    HE3  TRP 104           HE3      TRP 104 -11.678 -11.232   1.472
  833    HZ2  TRP 104           HZ2      TRP 104  -7.624 -13.512   3.221
  834    HZ3  TRP 104           HZ3      TRP 104 -11.897 -13.267   2.869
  835    HH2  TRP 104           HH2      TRP 104  -9.877 -14.409   3.743
  836    H    MET 105           HN       MET 105 -10.127  -5.770  -1.110
  837    HA   MET 105           HA       MET 105 -12.781  -5.254   0.168
  838   1HB   MET 105           HB2      MET 105 -10.876  -3.489   0.452
  839   2HB   MET 105           HB1      MET 105 -11.210  -3.103  -1.238
  840   1HG   MET 105           HG2      MET 105 -13.391  -3.230   0.855
  841   2HG   MET 105           HG1      MET 105 -12.508  -1.745   0.499
  842   1HE   MET 105           HE3      MET 105 -15.349  -1.658   0.426
  843   2HE   MET 105           HE2      MET 105 -16.235  -1.899  -1.076
  844   3HE   MET 105           HE1      MET 105 -15.763  -3.292  -0.107
  845    H    SER 106           HN       SER 106 -14.415  -5.651  -1.225
  846    HA   SER 106           HA       SER 106 -13.867  -5.993  -4.082
  847   1HB   SER 106           HB2      SER 106 -15.495  -7.439  -2.837
  848   2HB   SER 106           HB1      SER 106 -16.523  -6.026  -2.612
  849    HG   SER 106           HG       SER 106 -16.078  -5.964  -5.108
  850    H    LEU 107           HN       LEU 107 -13.136  -3.533  -3.895
  851    HA   LEU 107           HA       LEU 107 -15.332  -1.610  -3.958
  852   1HB   LEU 107           HB2      LEU 107 -13.474  -0.527  -3.140
  853   2HB   LEU 107           HB1      LEU 107 -12.351  -1.509  -4.075
  854    HG   LEU 107           HG       LEU 107 -14.125   0.332  -5.604
  855   1HD1  LEU 107          HD12      LEU 107 -11.741   1.249  -3.961
  856   2HD1  LEU 107          HD11      LEU 107 -12.556   2.218  -5.189
  857   3HD1  LEU 107          HD13      LEU 107 -13.415   1.747  -3.723
  858   1HD2  LEU 107          HD21      LEU 107 -12.064  -1.338  -6.223
  859   2HD2  LEU 107          HD23      LEU 107 -12.482   0.082  -7.180
  860   3HD2  LEU 107          HD22      LEU 107 -11.187   0.172  -5.986
  861    H    VAL 108           HN       VAL 108 -13.029  -2.946  -6.332
  862    HA   VAL 108           HA       VAL 108 -13.414  -3.422  -8.615
  863    HB   VAL 108           HB       VAL 108 -16.049  -1.960  -8.286
  864   1HG1  VAL 108          HG11      VAL 108 -14.628  -3.294 -10.493
  865   2HG1  VAL 108          HG13      VAL 108 -16.322  -3.750 -10.309
  866   3HG1  VAL 108          HG12      VAL 108 -15.884  -2.056 -10.539
  867   1HG2  VAL 108          HG23      VAL 108 -15.251  -4.858  -7.958
  868   2HG2  VAL 108          HG22      VAL 108 -16.167  -3.850  -6.838
  869   3HG2  VAL 108          HG21      VAL 108 -16.907  -4.390  -8.345
  870    H    GLY 109           HN       GLY 109 -12.149  -2.267  -9.951
  871   1HA   GLY 109           HA2      GLY 109 -10.990  -0.352 -10.744
  872   2HA   GLY 109           HA1      GLY 109 -12.618   0.078 -11.266
  873    H    LEU 110           HN       LEU 110 -10.296   0.406  -8.641
  874    HA   LEU 110           HA       LEU 110 -11.608   1.888  -6.760
  875   1HB   LEU 110           HB2      LEU 110  -8.883   1.627  -7.620
  876   2HB   LEU 110           HB1      LEU 110  -9.225   3.318  -7.200
  877    HG   LEU 110           HG       LEU 110 -10.515   1.758  -5.249
  878   1HD1  LEU 110          HD11      LEU 110  -7.715   0.805  -5.886
  879   2HD1  LEU 110          HD13      LEU 110  -8.470   0.574  -4.310
  880   3HD1  LEU 110          HD12      LEU 110  -9.176  -0.171  -5.745
  881   1HD2  LEU 110          HD22      LEU 110  -8.507   3.827  -5.538
  882   2HD2  LEU 110          HD21      LEU 110  -9.704   3.599  -4.269
  883   3HD2  LEU 110          HD23      LEU 110  -8.148   2.774  -4.174
  884    H    ASN 111           HN       ASN 111 -11.660   4.278  -6.372
  885    HA   ASN 111           HA       ASN 111 -11.968   5.857  -8.881
  886   1HB   ASN 111           HB2      ASN 111 -14.107   4.698  -7.744
  887   2HB   ASN 111           HB1      ASN 111 -14.064   6.191  -6.797
  888   1HD2  ASN 111          HD22      ASN 111 -15.475   6.312 -10.553
  889   2HD2  ASN 111          HD21      ASN 111 -15.209   4.866  -9.705
  890    H    ALA 112           HN       ALA 112 -10.814   5.726  -5.703
  891    HA   ALA 112           HA       ALA 112  -9.707   7.404  -4.459
  892   1HB   ALA 112           HB2      ALA 112  -9.327   8.521  -6.723
  893   2HB   ALA 112           HB1      ALA 112 -10.801   9.438  -6.416
  894   3HB   ALA 112           HB3      ALA 112  -9.419   9.604  -5.339
  895    H    ASP 113           HN       ASP 113 -12.951   7.101  -5.177
  896    HA   ASP 113           HA       ASP 113 -13.993   9.249  -3.509
  897   1HB   ASP 113           HB2      ASP 113 -14.989   7.459  -5.451
  898   2HB   ASP 113           HB1      ASP 113 -15.808   7.032  -3.957
  899    H    ASP 114           HN       ASP 114 -12.744   6.087  -3.112
  900    HA   ASP 114           HA       ASP 114 -13.937   5.857  -0.387
  901   1HB   ASP 114           HB2      ASP 114 -12.997   3.921  -2.459
  902   2HB   ASP 114           HB1      ASP 114 -12.890   3.446  -0.759
  903    H    PHE 115           HN       PHE 115 -11.084   6.628  -2.051
  904    HA   PHE 115           HA       PHE 115  -9.371   5.860   0.259
  905   1HB   PHE 115           HB2      PHE 115  -8.867   6.441  -2.637
  906   2HB   PHE 115           HB1      PHE 115  -7.564   6.695  -1.476
  907    HD1  PHE 115           HD2      PHE 115 -10.137   4.152  -2.446
  908    HD2  PHE 115           HD1      PHE 115  -6.232   4.879  -0.830
  909    HE1  PHE 115           HE2      PHE 115  -9.691   1.712  -2.440
  910    HE2  PHE 115           HE1      PHE 115  -5.777   2.439  -0.822
  911    HZ   PHE 115           HZ       PHE 115  -7.509   0.854  -1.628
  912    HA   PRO 116           HA       PRO 116  -9.138   9.960   1.757
  913   1HB   PRO 116           HB2      PRO 116  -6.356   9.765   2.442
  914   2HB   PRO 116           HB1      PRO 116  -7.749   9.567   3.510
  915   1HG   PRO 116           HG2      PRO 116  -5.967   7.518   2.549
  916   2HG   PRO 116           HG1      PRO 116  -7.369   7.324   3.610
  917   1HD   PRO 116           HD2      PRO 116  -7.124   6.573   0.831
  918   2HD   PRO 116           HD1      PRO 116  -8.514   6.339   1.910
  919    HA   PRO 117           HA       PRO 117  -7.444  12.343  -1.551
  920   1HB   PRO 117           HB2      PRO 117  -7.248  14.710   0.047
  921   2HB   PRO 117           HB1      PRO 117  -8.544  14.271  -1.075
  922   1HG   PRO 117           HG2      PRO 117  -8.650  14.329   1.809
  923   2HG   PRO 117           HG1      PRO 117  -9.945  13.903   0.683
  924   1HD   PRO 117           HD2      PRO 117  -8.405  12.134   2.380
  925   2HD   PRO 117           HD1      PRO 117  -9.746  11.719   1.294
  926    H    ALA 118           HN       ALA 118  -5.927  12.267   1.633
  927    HA   ALA 118           HA       ALA 118  -3.583  13.700   1.324
  928   1HB   ALA 118           HB2      ALA 118  -4.379  11.953   3.179
  929   2HB   ALA 118           HB1      ALA 118  -3.272  10.893   2.306
  930   3HB   ALA 118           HB3      ALA 118  -2.680  12.399   3.008
  931    H    ASN 119           HN       ASN 119  -4.015  10.320   0.251
  932    HA   ASN 119           HA       ASN 119  -1.563  10.519  -1.382
  933   1HB   ASN 119           HB2      ASN 119  -3.310   8.332  -0.383
  934   2HB   ASN 119           HB1      ASN 119  -2.569   8.067  -1.962
  935   1HD2  ASN 119          HD22      ASN 119  -0.311   7.625   1.313
  936   2HD2  ASN 119          HD21      ASN 119  -2.006   7.724   1.352
  937    H    GLU 120           HN       GLU 120  -3.360  12.301  -2.285
  938    HA   GLU 120           HA       GLU 120  -5.224  11.346  -4.235
  939   1HB   GLU 120           HB2      GLU 120  -4.103  13.894  -3.351
  940   2HB   GLU 120           HB1      GLU 120  -4.505  13.868  -5.070
  941   1HG   GLU 120           HG2      GLU 120  -6.762  12.897  -4.413
  942   2HG   GLU 120           HG1      GLU 120  -6.348  13.276  -2.742
  943    HA   PRO 121           HA       PRO 121  -1.558  12.510  -7.283
  944   1HB   PRO 121           HB2      PRO 121   0.724  11.257  -6.002
  945   2HB   PRO 121           HB1      PRO 121   0.567  12.909  -6.606
  946   1HG   PRO 121           HG2      PRO 121   0.613  12.095  -3.884
  947   2HG   PRO 121           HG1      PRO 121   0.220  13.709  -4.495
  948   1HD   PRO 121           HD2      PRO 121  -1.556  11.732  -3.342
  949   2HD   PRO 121           HD1      PRO 121  -1.933  13.400  -3.814
  950    H    VAL 122           HN       VAL 122  -1.505   9.549  -5.302
  951    HA   VAL 122           HA       VAL 122  -1.120   8.003  -7.813
  952    HB   VAL 122           HB       VAL 122  -0.663   7.481  -4.924
  953   1HG1  VAL 122          HG13      VAL 122  -1.769   5.492  -6.846
  954   2HG1  VAL 122          HG12      VAL 122  -0.429   4.958  -5.833
  955   3HG1  VAL 122          HG11      VAL 122  -1.913   5.552  -5.090
  956   1HG2  VAL 122          HG23      VAL 122   0.753   6.731  -7.497
  957   2HG2  VAL 122          HG22      VAL 122   1.195   8.047  -6.410
  958   3HG2  VAL 122          HG21      VAL 122   1.358   6.376  -5.882
  959    H    ILE 123           HN       ILE 123  -3.432   8.546  -5.195
  960    HA   ILE 123           HA       ILE 123  -5.282   6.482  -5.909
  961    HB   ILE 123           HB       ILE 123  -5.398   9.019  -4.343
  962   1HG1  ILE 123          HG12      ILE 123  -6.993   6.760  -3.427
  963   2HG1  ILE 123          HG11      ILE 123  -5.349   6.263  -3.829
  964   1HG2  ILE 123          HG22      ILE 123  -7.901   7.680  -5.417
  965   2HG2  ILE 123          HG21      ILE 123  -7.867   8.919  -4.164
  966   3HG2  ILE 123          HG23      ILE 123  -7.354   9.312  -5.804
  967   1HD1  ILE 123          HD11      ILE 123  -5.897   8.719  -2.160
  968   2HD1  ILE 123          HD13      ILE 123  -5.750   7.120  -1.432
  969   3HD1  ILE 123          HD12      ILE 123  -4.390   7.818  -2.310
  970    H    ALA 124           HN       ALA 124  -4.385   9.481  -7.346
  971    HA   ALA 124           HA       ALA 124  -6.684  10.075  -8.914
  972   1HB   ALA 124           HB1      ALA 124  -3.921  10.905  -8.771
  973   2HB   ALA 124           HB3      ALA 124  -4.408  10.703 -10.453
  974   3HB   ALA 124           HB2      ALA 124  -5.309  11.793  -9.398
  975    H    LYS 125           HN       LYS 125  -3.979   7.920  -9.362
  976    HA   LYS 125           HA       LYS 125  -4.708   7.120 -12.055
  977   1HB   LYS 125           HB2      LYS 125  -2.797   5.935 -10.028
  978   2HB   LYS 125           HB1      LYS 125  -2.911   5.430 -11.717
  979   1HG   LYS 125           HG2      LYS 125  -2.315   8.252 -10.779
  980   2HG   LYS 125           HG1      LYS 125  -1.111   7.106 -11.372
  981   1HD   LYS 125           HD2      LYS 125  -1.559   7.723 -13.486
  982   2HD   LYS 125           HD1      LYS 125  -3.231   7.200 -13.280
  983   1HE   LYS 125           HE2      LYS 125  -3.808   9.372 -13.500
  984   2HE   LYS 125           HE1      LYS 125  -3.113   9.619 -11.898
  985   1HZ   LYS 125           HZ2      LYS 125  -1.225   9.555 -14.102
  986   2HZ   LYS 125           HZ1      LYS 125  -2.276  10.889 -14.078
  987   3HZ   LYS 125           HZ3      LYS 125  -1.279  10.574 -12.744
  988    H    LEU 126           HN       LEU 126  -5.182   5.701  -8.797
  989    HA   LEU 126           HA       LEU 126  -6.297   3.222  -9.757
  990   1HB   LEU 126           HB2      LEU 126  -6.870   4.709  -7.172
  991   2HB   LEU 126           HB1      LEU 126  -7.336   3.047  -7.511
  992    HG   LEU 126           HG       LEU 126  -5.312   2.301  -6.865
  993   1HD1  LEU 126          HD11      LEU 126  -4.543   2.991  -9.218
  994   2HD1  LEU 126          HD13      LEU 126  -3.866   4.429  -8.452
  995   3HD1  LEU 126          HD12      LEU 126  -3.291   2.828  -7.990
  996   1HD2  LEU 126          HD22      LEU 126  -5.669   4.560  -5.511
  997   2HD2  LEU 126          HD21      LEU 126  -4.184   3.622  -5.353
  998   3HD2  LEU 126          HD23      LEU 126  -4.223   5.040  -6.401
  999    H    LYS 127           HN       LYS 127  -7.439   6.446  -9.515
 1000    HA   LYS 127           HA       LYS 127 -10.249   6.088  -9.487
 1001   1HB   LYS 127           HB2      LYS 127  -8.711   8.057 -11.202
 1002   2HB   LYS 127           HB1      LYS 127 -10.351   8.257 -10.555
 1003   1HG   LYS 127           HG2      LYS 127  -8.848   7.701  -8.298
 1004   2HG   LYS 127           HG1      LYS 127  -7.781   8.718  -9.252
 1005   1HD   LYS 127           HD2      LYS 127 -10.600   9.372  -8.373
 1006   2HD   LYS 127           HD1      LYS 127  -9.115  10.175  -7.864
 1007   1HE   LYS 127           HE2      LYS 127  -8.721  10.873 -10.225
 1008   2HE   LYS 127           HE1      LYS 127 -10.271  10.157 -10.667
 1009   1HZ   LYS 127           HZ1      LYS 127 -10.520  11.881  -8.417
 1010   2HZ   LYS 127           HZ3      LYS 127  -9.846  12.705  -9.738
 1011   3HZ   LYS 127           HZ2      LYS 127 -11.345  11.921  -9.902
 1012    H    ARG 128           HN       ARG 128  -7.845   5.883 -12.009
 1013    HA   ARG 128           HA       ARG 128  -9.755   5.263 -14.126
 1014   1HB   ARG 128           HB2      ARG 128  -6.875   4.595 -14.437
 1015   2HB   ARG 128           HB1      ARG 128  -7.954   5.444 -15.538
 1016   1HG   ARG 128           HG2      ARG 128  -7.869   7.331 -13.703
 1017   2HG   ARG 128           HG1      ARG 128  -6.365   6.527 -13.232
 1018   1HD   ARG 128           HD2      ARG 128  -5.368   7.702 -14.883
 1019   2HD   ARG 128           HD1      ARG 128  -6.211   6.645 -16.011
 1020    HE   ARG 128           HE       ARG 128  -8.057   8.646 -15.386
 1021   1HH1  ARG 128          HH11      ARG 128  -5.458  10.258 -15.126
 1022   2HH1  ARG 128          HH12      ARG 128  -5.321  10.907 -16.725
 1023   1HH2  ARG 128          HH21      ARG 128  -7.616   8.702 -18.102
 1024   2HH2  ARG 128          HH22      ARG 128  -6.541  10.025 -18.412
 1025    H    LEU 129           HN       LEU 129  -7.869   3.551 -11.759
 1026    HA   LEU 129           HA       LEU 129  -7.400   1.036 -12.697
 1027   1HB   LEU 129           HB2      LEU 129  -7.780   2.129 -10.166
 1028   2HB   LEU 129           HB1      LEU 129  -8.947   0.811 -10.237
 1029    HG   LEU 129           HG       LEU 129  -7.120  -0.697 -11.000
 1030   1HD1  LEU 129          HD12      LEU 129  -5.698   1.905 -10.968
 1031   2HD1  LEU 129          HD11      LEU 129  -4.790   0.546 -10.306
 1032   3HD1  LEU 129          HD13      LEU 129  -5.402   0.476 -11.959
 1033   1HD2  LEU 129          HD22      LEU 129  -7.257   0.667  -8.382
 1034   2HD2  LEU 129          HD21      LEU 129  -7.237  -1.058  -8.749
 1035   3HD2  LEU 129          HD23      LEU 129  -5.726  -0.151  -8.692
 1036   3HOG  APC 130           H5T      ATP 130   5.769   2.340   9.723
 1037   1H3A  APC 130           H3P      ATP 130   7.242   0.931   6.901
 1038   2H3A  APC 130          H3P'      ATP 130   6.639   1.830   8.313
 1039   1H5*  APC 130           H5'      ATP 130   8.977   4.866   5.681
 1040   2H5*  APC 130          H5''      ATP 130  10.161   4.273   6.856
 1041    H4*  APC 130           H4'      ATP 130   9.381   5.678   8.420
 1042    H3*  APC 130           H3'      ATP 130   6.986   4.093   7.932
 1043   *HO3  APC 130          H3''      ATP 130   6.889   4.387  10.273
 1044    H2*  APC 130          H2''      ATP 130   5.432   5.672   7.823
 1045   *HO2  APC 130           H2'      ATP 130   5.070   6.893   9.520
 1046    H1*  APC 130           H1'      ATP 130   6.970   8.095   7.916
 1047    H8   APC 130           H8       ATP 130   6.217   5.365   5.307
 1048    H2   APC 130           H2       ATP 130   4.531  11.477   6.182
 1049   1HN6  APC 130           H61      ATP 130   3.277   7.958   2.458
 1050   2HN6  APC 130           H62      ATP 130   2.702   9.609   2.527
 1051   1HN1  CON 131          H1N1      ATP 130  11.241  -0.088  12.209
 1052   2HN1  CON 131          H2N1      ATP 130  11.298   1.442  12.538
 1053   3HN1  CON 131          H3N1      ATP 130  11.306   0.957  11.050
 1054   1HN2  CON 131          H1N2      ATP 130   9.684   1.702  14.196
 1055   2HN2  CON 131          H2N2      ATP 130   8.135   1.902  14.157
 1056   3HN2  CON 131          H3N2      ATP 130   8.734   0.487  14.451
 1057   1HN3  CON 131          H1N3      ATP 130   8.125   3.209  11.067
 1058   2HN3  CON 131          H2N3      ATP 130   9.678   3.111  10.894
 1059   3HN3  CON 131          H3N3      ATP 130   9.065   3.416  12.301
 1060   1HN4  CON 131          H1N4      ATP 130   7.945  -1.560  11.972
 1061   2HN4  CON 131          H2N4      ATP 130   9.509  -1.644  11.939
 1062   3HN4  CON 131          H3N4      ATP 130   8.768  -1.312  13.276
 1063   1HO1  MO2 132          H1O1      MG  131  10.551  -2.669   6.556
 1064   2HO1  MO2 132          H2O1      MG  131   9.691  -1.444   6.738
 1065   1HO2  MO2 132          H1O2      MG  131   8.579  -3.875   9.100
 1066   2HO2  MO2 132          H2O2      MG  131   7.071  -3.893   9.049
   
  No H/Q in entry =        1066
  Start of MODEL   13
    1   1H    MET   1           HT1      MET   1  15.699  16.244   5.544
    2   2H    MET   1           HT3      MET   1  14.398  16.783   6.491
    3   3H    MET   1           HT2      MET   1  15.866  17.638   6.502
    4    HA   MET   1           HA       MET   1  16.783  16.309   8.017
    5   1HB   MET   1           HB2      MET   1  14.574  16.731   9.012
    6   2HB   MET   1           HB1      MET   1  13.929  15.310   8.191
    7   1HG   MET   1           HG2      MET   1  14.595  14.050   9.931
    8   2HG   MET   1           HG1      MET   1  16.267  14.457   9.544
    9   1HE   MET   1           HE1      MET   1  17.225  14.279  11.313
   10   2HE   MET   1           HE3      MET   1  17.548  15.666  12.364
   11   3HE   MET   1           HE2      MET   1  16.455  14.390  12.894
   12    H    LYS   2           HN       LYS   2  14.905  14.550   5.640
   13    HA   LYS   2           HA       LYS   2  16.870  12.644   5.048
   14   1HB   LYS   2           HB2      LYS   2  15.825  10.652   6.329
   15   2HB   LYS   2           HB1      LYS   2  16.833  11.756   7.258
   16   1HG   LYS   2           HG2      LYS   2  14.917  11.501   8.607
   17   2HG   LYS   2           HG1      LYS   2  14.613  13.013   7.756
   18   1HD   LYS   2           HD2      LYS   2  12.640  12.084   7.156
   19   2HD   LYS   2           HD1      LYS   2  13.580  11.135   6.018
   20   1HE   LYS   2           HE2      LYS   2  12.779  10.317   8.811
   21   2HE   LYS   2           HE1      LYS   2  12.239   9.597   7.294
   22   1HZ   LYS   2           HZ1      LYS   2  15.078   9.673   8.149
   23   2HZ   LYS   2           HZ3      LYS   2  14.047   8.362   8.458
   24   3HZ   LYS   2           HZ2      LYS   2  14.409   8.797   6.857
   25    H    LYS   3           HN       LYS   3  15.377  10.340   4.619
   26    HA   LYS   3           HA       LYS   3  12.775  11.044   3.500
   27   1HB   LYS   3           HB2      LYS   3  14.143  11.783   1.649
   28   2HB   LYS   3           HB1      LYS   3  15.097  10.301   1.700
   29   1HG   LYS   3           HG2      LYS   3  12.166   9.945   1.453
   30   2HG   LYS   3           HG1      LYS   3  12.976  10.634   0.054
   31   1HD   LYS   3           HD2      LYS   3  13.940   8.131   1.451
   32   2HD   LYS   3           HD1      LYS   3  12.851   8.104   0.068
   33   1HE   LYS   3           HE2      LYS   3  15.699   9.101   0.176
   34   2HE   LYS   3           HE1      LYS   3  15.025   7.847  -0.866
   35   1HZ   LYS   3           HZ3      LYS   3  13.542   9.718  -1.743
   36   2HZ   LYS   3           HZ2      LYS   3  14.663  10.774  -1.025
   37   3HZ   LYS   3           HZ1      LYS   3  15.164   9.694  -2.237
   38    H    LEU   4           HN       LEU   4  11.563   9.139   3.007
   39    HA   LEU   4           HA       LEU   4  12.917   6.544   3.268
   40   1HB   LEU   4           HB2      LEU   4  11.940   5.799   5.222
   41   2HB   LEU   4           HB1      LEU   4  12.105   7.502   5.608
   42    HG   LEU   4           HG       LEU   4   9.928   6.856   6.269
   43   1HD1  LEU   4          HD12      LEU   4  10.321   8.778   4.268
   44   2HD1  LEU   4          HD11      LEU   4   8.808   7.960   3.905
   45   3HD1  LEU   4          HD13      LEU   4   9.042   8.715   5.474
   46   1HD2  LEU   4          HD22      LEU   4  10.102   5.066   4.050
   47   2HD2  LEU   4          HD21      LEU   4   8.904   5.092   5.344
   48   3HD2  LEU   4          HD23      LEU   4   8.637   6.032   3.875
   49    H    GLN   5           HN       GLN   5  11.954   5.053   1.930
   50    HA   GLN   5           HA       GLN   5   9.462   5.987   0.607
   51   1HB   GLN   5           HB2      GLN   5  11.431   3.832  -0.202
   52   2HB   GLN   5           HB1      GLN   5   9.975   4.248  -1.098
   53   1HG   GLN   5           HG2      GLN   5  11.063   5.924  -2.112
   54   2HG   GLN   5           HG1      GLN   5  11.359   6.678  -0.542
   55   1HE2  GLN   5          HE22      GLN   5  14.506   5.313  -2.493
   56   2HE2  GLN   5          HE21      GLN   5  13.043   5.819  -3.191
   57    H    ILE   6           HN       ILE   6   7.734   4.477   0.275
   58    HA   ILE   6           HA       ILE   6   7.651   2.376   2.395
   59    HB   ILE   6           HB       ILE   6   5.635   4.353   1.373
   60   1HG1  ILE   6          HG12      ILE   6   7.229   4.148   3.627
   61   2HG1  ILE   6          HG11      ILE   6   5.815   5.177   3.464
   62   1HG2  ILE   6          HG21      ILE   6   5.038   1.686   2.680
   63   2HG2  ILE   6          HG23      ILE   6   3.887   3.020   2.612
   64   3HG2  ILE   6          HG22      ILE   6   4.452   2.268   1.121
   65   1HD1  ILE   6          HD11      ILE   6   4.395   3.333   4.356
   66   2HD1  ILE   6          HD13      ILE   6   5.842   2.348   4.573
   67   3HD1  ILE   6          HD12      ILE   6   5.632   3.826   5.512
   68    H    ALA   7           HN       ALA   7   7.712   0.386   1.502
   69    HA   ALA   7           HA       ALA   7   6.995  -0.008  -1.321
   70   1HB   ALA   7           HB3      ALA   7   8.676  -1.311   0.570
   71   2HB   ALA   7           HB2      ALA   7   7.447  -2.477   0.076
   72   3HB   ALA   7           HB1      ALA   7   8.468  -1.704  -1.137
   73    H    VAL   8           HN       VAL   8   4.695   0.755  -0.560
   74    HA   VAL   8           HA       VAL   8   3.148  -1.275   0.840
   75    HB   VAL   8           HB       VAL   8   2.271   0.853   1.242
   76   1HG1  VAL   8          HG12      VAL   8   3.269   1.406  -1.437
   77   2HG1  VAL   8          HG11      VAL   8   1.692   2.130  -1.155
   78   3HG1  VAL   8          HG13      VAL   8   3.041   2.505  -0.084
   79   1HG2  VAL   8          HG21      VAL   8   0.661  -0.940  -0.024
   80   2HG2  VAL   8          HG23      VAL   8   0.083   0.596   0.623
   81   3HG2  VAL   8          HG22      VAL   8   0.482   0.454  -1.089
   82    H    GLY   9           HN       GLY   9   2.308   0.134  -2.345
   83   1HA   GLY   9           HA2      GLY   9   1.541  -0.953  -4.275
   84   2HA   GLY   9           HA1      GLY   9   2.514  -2.345  -3.773
   85    H    ILE  10           HN       ILE  10  -0.597  -0.872  -3.682
   86    HA   ILE  10           HA       ILE  10  -1.914  -2.415  -1.741
   87    HB   ILE  10           HB       ILE  10  -3.572  -2.098  -4.136
   88   1HG1  ILE  10          HG12      ILE  10  -2.280   0.371  -2.935
   89   2HG1  ILE  10          HG11      ILE  10  -1.982  -0.230  -4.567
   90   1HG2  ILE  10          HG22      ILE  10  -4.163  -2.387  -1.625
   91   2HG2  ILE  10          HG21      ILE  10  -3.821  -0.663  -1.496
   92   3HG2  ILE  10          HG23      ILE  10  -5.103  -1.230  -2.567
   93   1HD1  ILE  10          HD11      ILE  10  -4.484  -0.036  -4.966
   94   2HD1  ILE  10          HD13      ILE  10  -4.579   0.839  -3.438
   95   3HD1  ILE  10          HD12      ILE  10  -3.632   1.496  -4.772
   96    H    ILE  11           HN       ILE  11  -3.360  -4.289  -2.123
   97    HA   ILE  11           HA       ILE  11  -2.262  -6.059  -4.257
   98    HB   ILE  11           HB       ILE  11  -2.723  -7.901  -2.419
   99   1HG1  ILE  11          HG12      ILE  11  -2.394  -5.329  -0.836
  100   2HG1  ILE  11          HG11      ILE  11  -3.753  -6.451  -0.778
  101   1HG2  ILE  11          HG22      ILE  11  -0.476  -6.457  -3.300
  102   2HG2  ILE  11          HG21      ILE  11  -0.338  -6.481  -1.545
  103   3HG2  ILE  11          HG23      ILE  11  -0.461  -7.995  -2.440
  104   1HD1  ILE  11          HD12      ILE  11  -1.162  -7.732  -0.240
  105   2HD1  ILE  11          HD11      ILE  11  -1.605  -6.503   0.944
  106   3HD1  ILE  11          HD13      ILE  11  -2.685  -7.864   0.639
  107    H    ARG  12           HN       ARG  12  -4.092  -5.742  -5.578
  108    HA   ARG  12           HA       ARG  12  -6.801  -6.096  -4.536
  109   1HB   ARG  12           HB2      ARG  12  -6.083  -6.352  -7.455
  110   2HB   ARG  12           HB1      ARG  12  -7.523  -5.631  -6.730
  111   1HG   ARG  12           HG2      ARG  12  -5.806  -3.970  -5.662
  112   2HG   ARG  12           HG1      ARG  12  -4.755  -4.492  -6.972
  113   1HD   ARG  12           HD2      ARG  12  -7.384  -3.001  -7.170
  114   2HD   ARG  12           HD1      ARG  12  -5.830  -2.599  -7.884
  115    HE   ARG  12           HE       ARG  12  -6.602  -5.092  -8.984
  116   1HH1  ARG  12          HH21      ARG  12  -9.359  -4.343  -9.137
  117   2HH1  ARG  12          HH22      ARG  12  -9.465  -3.318 -10.523
  118   1HH2  ARG  12          HH11      ARG  12  -6.062  -2.702 -10.670
  119   2HH2  ARG  12          HH12      ARG  12  -7.606  -2.391 -11.391
  120    H    ASN  13           HN       ASN  13  -8.137  -8.011  -5.844
  121    HA   ASN  13           HA       ASN  13  -6.343 -10.313  -6.158
  122   1HB   ASN  13           HB2      ASN  13  -6.431 -11.007  -4.055
  123   2HB   ASN  13           HB1      ASN  13  -7.425  -9.608  -3.647
  124   1HD2  ASN  13          HD22      ASN  13 -10.115 -11.747  -2.870
  125   2HD2  ASN  13          HD21      ASN  13  -9.195 -10.379  -2.468
  126    H    GLU  14           HN       GLU  14  -9.907  -9.920  -5.524
  127    HA   GLU  14           HA       GLU  14 -10.269 -12.135  -7.444
  128   1HB   GLU  14           HB2      GLU  14 -11.491 -11.817  -5.203
  129   2HB   GLU  14           HB1      GLU  14 -12.477 -10.629  -6.048
  130   1HG   GLU  14           HG2      GLU  14 -13.658 -12.692  -6.265
  131   2HG   GLU  14           HG1      GLU  14 -12.863 -12.448  -7.822
  132    H    ASN  15           HN       ASN  15 -10.712  -8.734  -7.364
  133    HA   ASN  15           HA       ASN  15 -11.131  -8.605 -10.240
  134   1HB   ASN  15           HB2      ASN  15 -13.461  -8.872  -8.785
  135   2HB   ASN  15           HB1      ASN  15 -13.260  -7.120  -8.818
  136   1HD2  ASN  15          HD22      ASN  15 -15.113  -8.103 -11.911
  137   2HD2  ASN  15          HD21      ASN  15 -15.409  -8.218 -10.243
  138    H    ASN  16           HN       ASN  16 -11.442  -7.132  -7.136
  139    HA   ASN  16           HA       ASN  16  -9.325  -5.237  -7.580
  140   1HB   ASN  16           HB2      ASN  16 -11.409  -4.145  -8.619
  141   2HB   ASN  16           HB1      ASN  16 -12.088  -4.134  -6.990
  142   1HD2  ASN  16          HD22      ASN  16 -10.231  -0.906  -7.640
  143   2HD2  ASN  16          HD21      ASN  16 -11.466  -1.716  -8.475
  144    H    GLU  17           HN       GLU  17  -9.937  -7.534  -5.904
  145    HA   GLU  17           HA       GLU  17 -10.861  -6.412  -3.348
  146   1HB   GLU  17           HB2      GLU  17  -9.544  -9.081  -3.919
  147   2HB   GLU  17           HB1      GLU  17 -10.368  -8.616  -2.431
  148   1HG   GLU  17           HG2      GLU  17 -12.362  -8.059  -4.074
  149   2HG   GLU  17           HG1      GLU  17 -11.543  -9.217  -5.120
  150    H    ILE  18           HN       ILE  18  -9.328  -4.696  -3.113
  151    HA   ILE  18           HA       ILE  18  -6.489  -5.311  -2.899
  152    HB   ILE  18           HB       ILE  18  -6.298  -2.960  -2.111
  153   1HG1  ILE  18          HG12      ILE  18  -9.323  -3.023  -2.353
  154   2HG1  ILE  18          HG11      ILE  18  -8.400  -2.811  -0.866
  155   1HG2  ILE  18          HG22      ILE  18  -7.427  -3.838  -4.649
  156   2HG2  ILE  18          HG21      ILE  18  -7.873  -2.174  -4.272
  157   3HG2  ILE  18          HG23      ILE  18  -6.173  -2.638  -4.336
  158   1HD1  ILE  18          HD13      ILE  18  -7.414  -0.733  -1.787
  159   2HD1  ILE  18          HD12      ILE  18  -8.378  -0.939  -3.251
  160   3HD1  ILE  18          HD11      ILE  18  -9.174  -0.634  -1.707
  161    H    PHE  19           HN       PHE  19  -5.334  -5.599  -1.010
  162    HA   PHE  19           HA       PHE  19  -6.869  -6.302   1.408
  163   1HB   PHE  19           HB2      PHE  19  -4.726  -7.476   0.513
  164   2HB   PHE  19           HB1      PHE  19  -3.858  -6.124   1.235
  165    HD1  PHE  19           HD1      PHE  19  -6.730  -8.352   2.198
  166    HD2  PHE  19           HD2      PHE  19  -3.014  -6.537   3.357
  167    HE1  PHE  19           HE1      PHE  19  -6.894  -9.436   4.422
  168    HE2  PHE  19           HE2      PHE  19  -3.178  -7.621   5.582
  169    HZ   PHE  19           HZ       PHE  19  -5.118  -9.070   6.115
  170    H    ILE  20           HN       ILE  20  -7.234  -3.632   0.736
  171    HA   ILE  20           HA       ILE  20  -5.405  -1.872   2.118
  172    HB   ILE  20           HB       ILE  20  -6.723  -1.230   0.115
  173   1HG1  ILE  20          HG12      ILE  20  -7.793   0.543   2.243
  174   2HG1  ILE  20          HG11      ILE  20  -6.044   0.339   2.180
  175   1HG2  ILE  20          HG22      ILE  20  -8.769  -2.539   0.981
  176   2HG2  ILE  20          HG21      ILE  20  -9.115  -1.096   1.934
  177   3HG2  ILE  20          HG23      ILE  20  -9.070  -1.000   0.173
  178   1HD1  ILE  20          HD11      ILE  20  -7.752   1.079  -0.204
  179   2HD1  ILE  20          HD13      ILE  20  -6.856   2.240   0.770
  180   3HD1  ILE  20          HD12      ILE  20  -5.991   1.013  -0.149
  181    H    THR  21           HN       THR  21  -5.898  -0.662   3.952
  182    HA   THR  21           HA       THR  21  -7.360  -2.082   6.020
  183    HB   THR  21           HB       THR  21  -5.515  -0.806   6.765
  184    HG1  THR  21           HG1      THR  21  -7.948  -0.202   7.597
  185   1HG2  THR  21          HG21      THR  21  -6.445   1.046   4.725
  186   2HG2  THR  21          HG23      THR  21  -6.018   1.880   6.220
  187   3HG2  THR  21          HG22      THR  21  -4.833   0.855   5.411
  188    H    ARG  22           HN       ARG  22  -9.505  -2.250   5.401
  189    HA   ARG  22           HA       ARG  22 -10.977   0.220   4.696
  190   1HB   ARG  22           HB2      ARG  22 -11.271  -1.699   3.236
  191   2HB   ARG  22           HB1      ARG  22 -11.751  -2.705   4.604
  192   1HG   ARG  22           HG2      ARG  22 -13.831  -2.091   3.795
  193   2HG   ARG  22           HG1      ARG  22 -13.550  -0.789   4.952
  194   1HD   ARG  22           HD2      ARG  22 -12.955   0.742   3.269
  195   2HD   ARG  22           HD1      ARG  22 -12.629  -0.535   2.098
  196    HE   ARG  22           HE       ARG  22 -15.346  -0.795   2.743
  197   1HH1  ARG  22          HH21      ARG  22 -13.662   2.102   2.193
  198   2HH1  ARG  22          HH22      ARG  22 -14.712   2.648   0.928
  199   1HH2  ARG  22          HH11      ARG  22 -16.545  -0.286   0.813
  200   2HH2  ARG  22          HH12      ARG  22 -16.344   1.302   0.152
  201    H    ARG  23           HN       ARG  23 -11.156   1.179   6.779
  202    HA   ARG  23           HA       ARG  23 -11.876   1.343   9.045
  203   1HB   ARG  23           HB2      ARG  23 -14.540   0.342   8.224
  204   2HB   ARG  23           HB1      ARG  23 -14.096   1.871   8.968
  205   1HG   ARG  23           HG2      ARG  23 -13.993   2.934   6.970
  206   2HG   ARG  23           HG1      ARG  23 -13.114   1.617   6.205
  207   1HD   ARG  23           HD2      ARG  23 -16.097   1.875   6.593
  208   2HD   ARG  23           HD1      ARG  23 -15.206   1.689   5.082
  209    HE   ARG  23           HE       ARG  23 -14.585  -0.608   6.504
  210   1HH1  ARG  23          HH11      ARG  23 -16.842   0.382   4.311
  211   2HH1  ARG  23          HH12      ARG  23 -18.052  -0.786   4.726
  212   1HH2  ARG  23          HH21      ARG  23 -16.416  -1.853   7.590
  213   2HH2  ARG  23          HH22      ARG  23 -17.811  -2.052   6.584
  214    H    ALA  24           HN       ALA  24 -10.691  -0.512   9.953
  215    HA   ALA  24           HA       ALA  24 -11.383  -3.183   9.961
  216   1HB   ALA  24           HB3      ALA  24  -9.675  -1.694  11.457
  217   2HB   ALA  24           HB2      ALA  24 -10.891  -2.080  12.674
  218   3HB   ALA  24           HB1      ALA  24 -10.056  -3.376  11.817
  219    H    ALA  25           HN       ALA  25 -12.880  -0.655  11.997
  220    HA   ALA  25           HA       ALA  25 -14.872  -2.530  13.042
  221   1HB   ALA  25           HB2      ALA  25 -13.958  -0.509  14.297
  222   2HB   ALA  25           HB1      ALA  25 -14.924   0.492  13.213
  223   3HB   ALA  25           HB3      ALA  25 -15.715  -0.662  14.288
  224    H    ASP  26           HN       ASP  26 -17.285  -1.644  12.856
  225    HA   ASP  26           HA       ASP  26 -17.928  -1.697  10.011
  226   1HB   ASP  26           HB2      ASP  26 -19.797  -1.221  12.352
  227   2HB   ASP  26           HB1      ASP  26 -20.240  -1.769  10.734
  228    H    ALA  27           HN       ALA  27 -17.487   0.186   8.919
  229    HA   ALA  27           HA       ALA  27 -18.263   2.767  10.195
  230   1HB   ALA  27           HB2      ALA  27 -16.098   1.926   8.442
  231   2HB   ALA  27           HB1      ALA  27 -16.958   3.315   7.779
  232   3HB   ALA  27           HB3      ALA  27 -16.250   3.403   9.392
  233    H    HIS  28           HN       HIS  28 -19.926   3.959   9.357
  234    HA   HIS  28           HA       HIS  28 -21.526   2.787   7.194
  235   1HB   HIS  28           HB2      HIS  28 -22.298   4.115   9.369
  236   2HB   HIS  28           HB1      HIS  28 -22.083   5.510   8.310
  237    HD1  HIS  28           HD1      HIS  28 -23.475   2.008   7.592
  238    HD2  HIS  28           HD2      HIS  28 -24.604   6.041   7.310
  239    HE1  HIS  28           HE1      HIS  28 -25.767   2.069   6.478
  240    H    MET  29           HN       MET  29 -18.762   4.511   7.148
  241    HA   MET  29           HA       MET  29 -19.578   6.268   4.891
  242   1HB   MET  29           HB2      MET  29 -17.090   6.204   6.618
  243   2HB   MET  29           HB1      MET  29 -17.279   7.266   5.223
  244   1HG   MET  29           HG2      MET  29 -19.633   7.478   6.842
  245   2HG   MET  29           HG1      MET  29 -18.221   7.686   7.878
  246   1HE   MET  29           HE3      MET  29 -20.598   9.335   7.042
  247   2HE   MET  29           HE2      MET  29 -20.135  10.965   6.558
  248   3HE   MET  29           HE1      MET  29 -20.551   9.774   5.328
  249    H    ALA  30           HN       ALA  30 -16.362   5.885   4.468
  250    HA   ALA  30           HA       ALA  30 -15.801   3.376   3.495
  251   1HB   ALA  30           HB3      ALA  30 -17.745   4.795   1.766
  252   2HB   ALA  30           HB2      ALA  30 -16.437   3.940   0.948
  253   3HB   ALA  30           HB1      ALA  30 -17.521   3.067   2.030
  254    H    ASN  31           HN       ASN  31 -15.167   6.692   3.507
  255    HA   ASN  31           HA       ASN  31 -13.166   6.671   1.380
  256   1HB   ASN  31           HB2      ASN  31 -12.492   8.888   2.469
  257   2HB   ASN  31           HB1      ASN  31 -14.129   8.809   1.818
  258   1HD2  ASN  31          HD22      ASN  31 -13.573   9.344   5.800
  259   2HD2  ASN  31          HD21      ASN  31 -12.257   9.194   4.739
  260    H    LYS  32           HN       LYS  32 -13.228   5.013   4.108
  261    HA   LYS  32           HA       LYS  32 -10.635   5.643   5.281
  262   1HB   LYS  32           HB2      LYS  32 -12.872   4.463   6.217
  263   2HB   LYS  32           HB1      LYS  32 -11.959   3.029   5.753
  264   1HG   LYS  32           HG2      LYS  32 -10.916   5.243   7.533
  265   2HG   LYS  32           HG1      LYS  32 -11.530   3.692   8.104
  266   1HD   LYS  32           HD2      LYS  32  -9.788   2.600   6.587
  267   2HD   LYS  32           HD1      LYS  32  -9.071   4.204   6.422
  268   1HE   LYS  32           HE2      LYS  32  -9.409   4.027   9.141
  269   2HE   LYS  32           HE1      LYS  32  -9.032   2.356   8.720
  270   1HZ   LYS  32           HZ3      LYS  32  -7.428   4.595   7.659
  271   2HZ   LYS  32           HZ2      LYS  32  -7.105   3.941   9.194
  272   3HZ   LYS  32           HZ1      LYS  32  -7.001   2.961   7.809
  273    H    LEU  33           HN       LEU  33  -9.840   5.298   2.782
  274    HA   LEU  33           HA       LEU  33  -8.883   2.469   2.668
  275   1HB   LEU  33           HB2      LEU  33  -9.755   4.295   0.413
  276   2HB   LEU  33           HB1      LEU  33  -8.782   2.858   0.125
  277    HG   LEU  33           HG       LEU  33 -11.615   3.048   1.113
  278   1HD1  LEU  33          HD11      LEU  33 -10.726   2.643  -1.331
  279   2HD1  LEU  33          HD13      LEU  33 -10.434   1.005  -0.747
  280   3HD1  LEU  33          HD12      LEU  33 -12.066   1.673  -0.720
  281   1HD2  LEU  33          HD23      LEU  33  -9.560   0.972   1.789
  282   2HD2  LEU  33          HD22      LEU  33 -10.922   1.549   2.750
  283   3HD2  LEU  33          HD21      LEU  33 -11.195   0.433   1.414
  284    H    GLU  34           HN       GLU  34  -6.925   2.917   3.693
  285    HA   GLU  34           HA       GLU  34  -5.199   5.061   2.607
  286   1HB   GLU  34           HB2      GLU  34  -5.522   4.048   5.136
  287   2HB   GLU  34           HB1      GLU  34  -4.077   3.190   4.598
  288   1HG   GLU  34           HG2      GLU  34  -3.659   5.797   3.719
  289   2HG   GLU  34           HG1      GLU  34  -4.403   6.004   5.305
  290    H    PHE  35           HN       PHE  35  -2.776   3.362   3.285
  291    HA   PHE  35           HA       PHE  35  -2.940   1.337   1.129
  292   1HB   PHE  35           HB2      PHE  35  -0.404   2.623   0.852
  293   2HB   PHE  35           HB1      PHE  35  -1.696   2.501  -0.336
  294    HD1  PHE  35           HD2      PHE  35  -0.545   4.503   2.601
  295    HD2  PHE  35           HD1      PHE  35  -2.948   4.400  -0.958
  296    HE1  PHE  35           HE2      PHE  35  -0.987   6.934   2.828
  297    HE2  PHE  35           HE1      PHE  35  -3.389   6.830  -0.731
  298    HZ   PHE  35           HZ       PHE  35  -2.410   8.096   1.162
  299    HA   PRO  36           HA       PRO  36  -0.820  -0.936   4.261
  300   1HB   PRO  36           HB2      PRO  36   0.055  -2.892   2.386
  301   2HB   PRO  36           HB1      PRO  36  -1.381  -2.964   3.413
  302   1HG   PRO  36           HG2      PRO  36  -1.231  -2.453   0.524
  303   2HG   PRO  36           HG1      PRO  36  -2.639  -2.866   1.514
  304   1HD   PRO  36           HD2      PRO  36  -2.073  -0.331   0.427
  305   2HD   PRO  36           HD1      PRO  36  -3.279  -0.691   1.686
  306    H    GLY  37           HN       GLY  37   0.979   0.464   4.668
  307   1HA   GLY  37           HA2      GLY  37   3.021   1.189   2.895
  308   2HA   GLY  37           HA1      GLY  37   3.227   1.097   4.637
  309    H    GLY  38           HN       GLY  38   5.262   0.180   4.693
  310   1HA   GLY  38           HA2      GLY  38   5.767  -2.479   4.810
  311   2HA   GLY  38           HA1      GLY  38   5.878  -2.194   3.071
  312    H    LYS  39           HN       LYS  39   6.929   0.491   3.315
  313    HA   LYS  39           HA       LYS  39   8.956   1.634   3.573
  314   1HB   LYS  39           HB2      LYS  39   8.800   1.064   5.953
  315   2HB   LYS  39           HB1      LYS  39   9.524  -0.510   5.636
  316   1HG   LYS  39           HG2      LYS  39  11.334   0.842   6.365
  317   2HG   LYS  39           HG1      LYS  39  11.499   0.787   4.605
  318   1HD   LYS  39           HD2      LYS  39   9.875   2.937   4.846
  319   2HD   LYS  39           HD1      LYS  39  10.756   3.052   6.370
  320   1HE   LYS  39           HE2      LYS  39  12.239   2.580   3.795
  321   2HE   LYS  39           HE1      LYS  39  11.765   4.213   4.268
  322   1HZ   LYS  39           HZ1      LYS  39  13.046   2.561   6.301
  323   2HZ   LYS  39           HZ3      LYS  39  14.032   3.118   5.038
  324   3HZ   LYS  39           HZ2      LYS  39  13.189   4.229   6.006
  325    H    ILE  40           HN       ILE  40   9.778   1.180   1.521
  326    HA   ILE  40           HA       ILE  40  11.135  -1.375   1.025
  327    HB   ILE  40           HB       ILE  40  10.346  -0.736  -1.004
  328   1HG1  ILE  40          HG12      ILE  40  13.019  -0.448  -0.920
  329   2HG1  ILE  40          HG11      ILE  40  12.095  -0.174  -2.391
  330   1HG2  ILE  40          HG22      ILE  40  10.535   2.063   0.071
  331   2HG2  ILE  40          HG21      ILE  40  10.297   1.796  -1.653
  332   3HG2  ILE  40          HG23      ILE  40   9.115   1.183  -0.496
  333   1HD1  ILE  40          HD11      ILE  40  12.007   2.251  -1.855
  334   2HD1  ILE  40          HD13      ILE  40  12.972   1.953  -0.410
  335   3HD1  ILE  40          HD12      ILE  40  13.668   1.675  -2.004
  336    H    GLU  41           HN       GLU  41  13.309  -1.739   1.168
  337    HA   GLU  41           HA       GLU  41  15.262   0.373   1.177
  338   1HB   GLU  41           HB2      GLU  41  15.819   0.541   3.450
  339   2HB   GLU  41           HB1      GLU  41  14.057   0.534   3.465
  340   1HG   GLU  41           HG2      GLU  41  14.041  -1.863   3.981
  341   2HG   GLU  41           HG1      GLU  41  15.802  -1.912   3.894
  342    H    MET  42           HN       MET  42  14.419  -2.956   2.018
  343    HA   MET  42           HA       MET  42  16.943  -4.123   2.318
  344   1HB   MET  42           HB2      MET  42  14.291  -5.040   1.457
  345   2HB   MET  42           HB1      MET  42  15.608  -5.977   0.751
  346   1HG   MET  42           HG2      MET  42  15.394  -7.114   2.743
  347   2HG   MET  42           HG1      MET  42  16.518  -5.860   3.266
  348   1HE   MET  42           HE1      MET  42  15.036  -7.534   5.040
  349   2HE   MET  42           HE3      MET  42  15.572  -6.149   6.002
  350   3HE   MET  42           HE2      MET  42  13.903  -6.702   6.101
  351    H    GLY  43           HN       GLY  43  18.359  -5.200   0.753
  352   1HA   GLY  43           HA2      GLY  43  19.744  -4.976  -1.151
  353   2HA   GLY  43           HA1      GLY  43  18.216  -5.183  -2.019
  354    H    GLU  44           HN       GLU  44  17.901  -3.589  -3.455
  355    HA   GLU  44           HA       GLU  44  18.040  -0.801  -2.635
  356   1HB   GLU  44           HB2      GLU  44  19.645  -0.457  -4.775
  357   2HB   GLU  44           HB1      GLU  44  20.273  -0.643  -3.139
  358   1HG   GLU  44           HG2      GLU  44  20.870  -2.888  -3.484
  359   2HG   GLU  44           HG1      GLU  44  19.773  -3.068  -4.853
  360    H    THR  45           HN       THR  45  16.287  -2.948  -3.986
  361    HA   THR  45           HA       THR  45  15.405  -1.186  -6.234
  362    HB   THR  45           HB       THR  45  15.613  -4.214  -6.259
  363    HG1  THR  45           HG1      THR  45  16.969  -3.416  -8.183
  364   1HG2  THR  45          HG23      THR  45  13.690  -2.870  -7.529
  365   2HG2  THR  45          HG22      THR  45  14.987  -2.581  -8.682
  366   3HG2  THR  45          HG21      THR  45  14.508  -4.231  -8.289
  367    HA   PRO  46           HA       PRO  46  11.491  -1.349  -4.201
  368   1HB   PRO  46           HB2      PRO  46  10.172  -1.572  -6.814
  369   2HB   PRO  46           HB1      PRO  46  10.125  -0.245  -5.645
  370   1HG   PRO  46           HG2      PRO  46  11.548  -0.262  -8.100
  371   2HG   PRO  46           HG1      PRO  46  11.700   0.934  -6.804
  372   1HD   PRO  46           HD2      PRO  46  13.627  -1.079  -7.609
  373   2HD   PRO  46           HD1      PRO  46  13.806   0.178  -6.372
  374    H    GLU  47           HN       GLU  47  12.666  -3.766  -6.383
  375    HA   GLU  47           HA       GLU  47  10.471  -5.631  -5.982
  376   1HB   GLU  47           HB2      GLU  47  12.936  -5.534  -7.525
  377   2HB   GLU  47           HB1      GLU  47  12.767  -7.086  -6.704
  378   1HG   GLU  47           HG2      GLU  47  11.054  -7.721  -8.036
  379   2HG   GLU  47           HG1      GLU  47  10.254  -6.156  -7.886
  380    H    GLN  48           HN       GLN  48  13.860  -6.430  -5.227
  381    HA   GLN  48           HA       GLN  48  13.329  -8.157  -3.118
  382   1HB   GLN  48           HB2      GLN  48  15.638  -6.337  -3.693
  383   2HB   GLN  48           HB1      GLN  48  15.542  -7.108  -2.097
  384   1HG   GLN  48           HG2      GLN  48  14.902  -9.142  -3.925
  385   2HG   GLN  48           HG1      GLN  48  16.278  -8.297  -4.636
  386   1HE2  GLN  48          HE22      GLN  48  18.049  -8.854  -1.317
  387   2HE2  GLN  48          HE21      GLN  48  17.418  -7.455  -2.042
  388    H    ALA  49           HN       ALA  49  13.429  -4.647  -3.016
  389    HA   ALA  49           HA       ALA  49  13.316  -4.383  -0.186
  390   1HB   ALA  49           HB1      ALA  49  13.824  -2.543  -1.837
  391   2HB   ALA  49           HB3      ALA  49  12.096  -2.478  -2.190
  392   3HB   ALA  49           HB2      ALA  49  12.679  -2.115  -0.567
  393    H    VAL  50           HN       VAL  50  10.608  -3.976  -2.517
  394    HA   VAL  50           HA       VAL  50   8.649  -4.055  -0.405
  395    HB   VAL  50           HB       VAL  50   8.512  -3.067  -2.805
  396   1HG1  VAL  50          HG11      VAL  50   7.526  -5.899  -3.273
  397   2HG1  VAL  50          HG13      VAL  50   7.347  -4.559  -4.404
  398   3HG1  VAL  50          HG12      VAL  50   8.952  -5.171  -4.010
  399   1HG2  VAL  50          HG21      VAL  50   6.591  -3.959  -0.901
  400   2HG2  VAL  50          HG23      VAL  50   6.453  -2.627  -2.049
  401   3HG2  VAL  50          HG22      VAL  50   5.934  -4.248  -2.512
  402    H    VAL  51           HN       VAL  51   9.592  -6.429  -2.826
  403    HA   VAL  51           HA       VAL  51   7.881  -8.542  -2.137
  404    HB   VAL  51           HB       VAL  51   9.508  -8.274  -4.124
  405   1HG1  VAL  51          HG12      VAL  51  11.492  -8.012  -2.556
  406   2HG1  VAL  51          HG11      VAL  51  11.358  -9.739  -2.233
  407   3HG1  VAL  51          HG13      VAL  51  11.711  -9.172  -3.865
  408   1HG2  VAL  51          HG21      VAL  51   9.302 -10.928  -2.673
  409   2HG2  VAL  51          HG23      VAL  51   8.112 -10.265  -3.795
  410   3HG2  VAL  51          HG22      VAL  51   9.712 -10.725  -4.377
  411    H    ARG  52           HN       ARG  52  11.009  -7.631  -0.743
  412    HA   ARG  52           HA       ARG  52  11.108  -9.962   1.010
  413   1HB   ARG  52           HB2      ARG  52  12.729  -7.396   0.933
  414   2HB   ARG  52           HB1      ARG  52  13.065  -8.738   2.015
  415   1HG   ARG  52           HG2      ARG  52  12.829  -9.206  -0.943
  416   2HG   ARG  52           HG1      ARG  52  14.347  -8.641  -0.241
  417   1HD   ARG  52           HD2      ARG  52  14.790 -10.647   0.688
  418   2HD   ARG  52           HD1      ARG  52  13.137 -10.845   1.262
  419    HE   ARG  52           HE       ARG  52  12.926 -11.268  -1.461
  420   1HH1  ARG  52          HH21      ARG  52  13.854 -12.892   1.341
  421   2HH1  ARG  52          HH22      ARG  52  14.485 -14.286   0.531
  422   1HH2  ARG  52          HH11      ARG  52  14.180 -12.906  -2.641
  423   2HH2  ARG  52          HH12      ARG  52  14.670 -14.293  -1.728
  424    H    GLU  53           HN       GLU  53  10.281  -6.563   1.201
  425    HA   GLU  53           HA       GLU  53   9.662  -6.487   4.010
  426   1HB   GLU  53           HB2      GLU  53   8.558  -4.828   1.731
  427   2HB   GLU  53           HB1      GLU  53   8.383  -4.447   3.446
  428   1HG   GLU  53           HG2      GLU  53  11.143  -4.973   2.512
  429   2HG   GLU  53           HG1      GLU  53  10.398  -3.488   1.908
  430    H    LEU  54           HN       LEU  54   8.251  -7.883   1.295
  431    HA   LEU  54           HA       LEU  54   5.485  -7.912   2.172
  432   1HB   LEU  54           HB2      LEU  54   7.041  -8.652  -0.173
  433   2HB   LEU  54           HB1      LEU  54   5.862  -9.883   0.240
  434    HG   LEU  54           HG       LEU  54   4.774  -8.335  -1.252
  435   1HD1  LEU  54          HD13      LEU  54   3.818  -8.962   1.230
  436   2HD1  LEU  54          HD12      LEU  54   3.692  -7.205   1.252
  437   3HD1  LEU  54          HD11      LEU  54   2.878  -8.133  -0.009
  438   1HD2  LEU  54          HD22      LEU  54   5.980  -6.266   0.595
  439   2HD2  LEU  54          HD21      LEU  54   6.142  -6.401  -1.157
  440   3HD2  LEU  54          HD23      LEU  54   4.612  -5.880  -0.451
  441    H    GLN  55           HN       GLN  55   8.205 -10.135   2.136
  442    HA   GLN  55           HA       GLN  55   6.681 -12.362   3.252
  443   1HB   GLN  55           HB2      GLN  55   9.638 -12.369   3.490
  444   2HB   GLN  55           HB1      GLN  55   8.559 -13.624   2.887
  445   1HG   GLN  55           HG2      GLN  55   8.263 -12.323   0.783
  446   2HG   GLN  55           HG1      GLN  55   9.409 -11.124   1.384
  447   1HE2  GLN  55          HE22      GLN  55  10.790 -14.710   0.003
  448   2HE2  GLN  55          HE21      GLN  55   9.123 -14.458   0.200
  449    H    GLU  56           HN       GLU  56   9.288 -10.266   4.445
  450    HA   GLU  56           HA       GLU  56   9.519 -11.162   7.041
  451   1HB   GLU  56           HB2      GLU  56   9.998  -8.735   7.636
  452   2HB   GLU  56           HB1      GLU  56  10.933  -9.389   6.295
  453   1HG   GLU  56           HG2      GLU  56  10.270  -7.481   5.295
  454   2HG   GLU  56           HG1      GLU  56   8.825  -8.419   4.925
  455    H    GLU  57           HN       GLU  57   6.743  -9.566   5.643
  456    HA   GLU  57           HA       GLU  57   5.567  -8.897   8.236
  457   1HB   GLU  57           HB2      GLU  57   4.136  -9.032   5.571
  458   2HB   GLU  57           HB1      GLU  57   3.694  -8.081   6.987
  459   1HG   GLU  57           HG2      GLU  57   6.408  -7.536   6.077
  460   2HG   GLU  57           HG1      GLU  57   5.212  -7.211   4.832
  461    H    VAL  58           HN       VAL  58   3.563 -10.569   5.917
  462    HA   VAL  58           HA       VAL  58   2.745 -12.505   7.933
  463    HB   VAL  58           HB       VAL  58   2.018 -12.206   5.026
  464   1HG1  VAL  58          HG13      VAL  58   1.521 -14.359   6.638
  465   2HG1  VAL  58          HG12      VAL  58   0.067 -13.379   6.839
  466   3HG1  VAL  58          HG11      VAL  58   0.566 -13.896   5.229
  467   1HG2  VAL  58          HG21      VAL  58   1.502 -10.211   6.360
  468   2HG2  VAL  58          HG23      VAL  58   0.023 -11.049   5.892
  469   3HG2  VAL  58          HG22      VAL  58   0.652 -11.219   7.531
  470    H    GLY  59           HN       GLY  59   3.494 -13.238   4.512
  471   1HA   GLY  59           HA2      GLY  59   5.765 -14.558   4.347
  472   2HA   GLY  59           HA1      GLY  59   4.973 -15.628   5.498
  473    H    ILE  60           HN       ILE  60   3.397 -14.045   2.698
  474    HA   ILE  60           HA       ILE  60   2.622 -16.758   1.774
  475    HB   ILE  60           HB       ILE  60   1.094 -15.585   0.242
  476   1HG1  ILE  60          HG12      ILE  60   1.376 -12.919   1.282
  477   2HG1  ILE  60          HG11      ILE  60   2.931 -13.478   0.658
  478   1HG2  ILE  60          HG21      ILE  60   1.100 -15.337   3.138
  479   2HG2  ILE  60          HG23      ILE  60   0.228 -13.999   2.389
  480   3HG2  ILE  60          HG22      ILE  60  -0.250 -15.664   2.052
  481   1HD1  ILE  60          HD12      ILE  60   0.812 -14.271  -1.131
  482   2HD1  ILE  60          HD11      ILE  60   0.750 -12.532  -0.845
  483   3HD1  ILE  60          HD13      ILE  60   2.227 -13.272  -1.462
  484    H    THR  61           HN       THR  61   2.421 -15.678  -1.102
  485    HA   THR  61           HA       THR  61   5.194 -15.108  -1.792
  486    HB   THR  61           HB       THR  61   4.137 -17.898  -1.953
  487    HG1  THR  61           HG1      THR  61   6.418 -18.191  -1.416
  488   1HG2  THR  61          HG21      THR  61   5.670 -16.503  -4.057
  489   2HG2  THR  61          HG23      THR  61   6.392 -18.014  -3.502
  490   3HG2  THR  61          HG22      THR  61   4.749 -18.005  -4.146
  491    HA   PRO  62           HA       PRO  62   2.913 -15.869  -6.014
  492   1HB   PRO  62           HB2      PRO  62   0.125 -16.178  -5.499
  493   2HB   PRO  62           HB1      PRO  62   1.232 -17.351  -6.232
  494   1HG   PRO  62           HG2      PRO  62   0.097 -17.333  -3.569
  495   2HG   PRO  62           HG1      PRO  62   1.036 -18.612  -4.347
  496   1HD   PRO  62           HD2      PRO  62   1.934 -16.952  -2.239
  497   2HD   PRO  62           HD1      PRO  62   2.940 -18.006  -3.246
  498    H    GLN  63           HN       GLN  63   2.043 -13.834  -3.455
  499    HA   GLN  63           HA       GLN  63   0.009 -12.191  -4.281
  500   1HB   GLN  63           HB2      GLN  63   1.275 -10.264  -3.408
  501   2HB   GLN  63           HB1      GLN  63   1.404 -11.646  -2.330
  502   1HG   GLN  63           HG2      GLN  63   3.612 -11.920  -2.718
  503   2HG   GLN  63           HG1      GLN  63   3.456 -11.597  -4.429
  504   1HE2  GLN  63          HE22      GLN  63   3.421  -7.903  -2.972
  505   2HE2  GLN  63          HE21      GLN  63   2.049  -8.879  -3.114
  506    H    HIS  64           HN       HIS  64   3.085 -12.629  -5.915
  507    HA   HIS  64           HA       HIS  64   3.865 -11.747  -7.942
  508   1HB   HIS  64           HB2      HIS  64   0.935 -11.949  -8.171
  509   2HB   HIS  64           HB1      HIS  64   1.641 -10.727  -9.236
  510    HD1  HIS  64           HD1      HIS  64   2.587 -11.578 -11.388
  511    HD2  HIS  64           HD2      HIS  64   2.411 -14.563  -8.443
  512    HE1  HIS  64           HE1      HIS  64   3.364 -13.749 -12.475
  513    H    PHE  65           HN       PHE  65   3.229  -9.397  -9.302
  514    HA   PHE  65           HA       PHE  65   2.437  -7.250  -7.625
  515   1HB   PHE  65           HB2      PHE  65   4.604  -6.252  -7.024
  516   2HB   PHE  65           HB1      PHE  65   4.379  -7.819  -6.259
  517    HD1  PHE  65           HD2      PHE  65   4.942  -8.760  -9.524
  518    HD2  PHE  65           HD1      PHE  65   7.039  -6.936  -6.248
  519    HE1  PHE  65           HE2      PHE  65   7.086  -9.523 -10.477
  520    HE2  PHE  65           HE1      PHE  65   9.190  -7.704  -7.208
  521    HZ   PHE  65           HZ       PHE  65   9.214  -8.999  -9.321
  522    H    SER  66           HN       SER  66   2.876  -5.155  -8.496
  523    HA   SER  66           HA       SER  66   4.154  -4.913 -11.122
  524   1HB   SER  66           HB2      SER  66   1.436  -5.593 -11.039
  525   2HB   SER  66           HB1      SER  66   1.447  -3.850 -11.289
  526    HG   SER  66           HG       SER  66   1.604  -5.263 -13.213
  527    H    LEU  67           HN       LEU  67   4.569  -2.667 -11.566
  528    HA   LEU  67           HA       LEU  67   4.623  -0.987  -9.222
  529   1HB   LEU  67           HB2      LEU  67   6.083  -1.017 -11.487
  530   2HB   LEU  67           HB1      LEU  67   4.936   0.242 -11.922
  531    HG   LEU  67           HG       LEU  67   7.125   0.971 -10.752
  532   1HD1  LEU  67          HD11      LEU  67   4.418   1.895 -10.583
  533   2HD1  LEU  67          HD13      LEU  67   5.220   2.212  -9.045
  534   3HD1  LEU  67          HD12      LEU  67   5.905   2.843 -10.542
  535   1HD2  LEU  67          HD22      LEU  67   6.725  -0.888  -8.962
  536   2HD2  LEU  67          HD21      LEU  67   7.345   0.679  -8.442
  537   3HD2  LEU  67          HD23      LEU  67   5.638   0.290  -8.230
  538    H    PHE  68           HN       PHE  68   3.067  -0.280 -12.336
  539    HA   PHE  68           HA       PHE  68   0.930   0.531 -12.809
  540   1HB   PHE  68           HB2      PHE  68  -0.571  -0.251 -11.331
  541   2HB   PHE  68           HB1      PHE  68   0.642  -0.379 -10.076
  542    HD1  PHE  68           HD2      PHE  68  -1.753   1.935 -11.715
  543    HD2  PHE  68           HD1      PHE  68   0.741   1.226  -8.293
  544    HE1  PHE  68           HE2      PHE  68  -2.804   3.850 -10.553
  545    HE2  PHE  68           HE1      PHE  68  -0.310   3.148  -7.130
  546    HZ   PHE  68           HZ       PHE  68  -2.082   4.461  -8.261
  547    H    GLU  69           HN       GLU  69   2.419   2.087  -9.953
  548    HA   GLU  69           HA       GLU  69   3.433   4.378 -10.916
  549   1HB   GLU  69           HB2      GLU  69   0.496   4.471 -11.315
  550   2HB   GLU  69           HB1      GLU  69   1.207   5.917 -10.601
  551   1HG   GLU  69           HG2      GLU  69   2.518   4.665 -12.993
  552   2HG   GLU  69           HG1      GLU  69   1.098   5.684 -13.219
  553    H    LYS  70           HN       LYS  70   4.179   5.544  -9.182
  554    HA   LYS  70           HA       LYS  70   2.627   5.323  -6.631
  555   1HB   LYS  70           HB2      LYS  70   5.332   5.869  -5.995
  556   2HB   LYS  70           HB1      LYS  70   4.436   4.395  -5.661
  557   1HG   LYS  70           HG2      LYS  70   6.264   3.629  -6.921
  558   2HG   LYS  70           HG1      LYS  70   4.992   3.776  -8.130
  559   1HD   LYS  70           HD2      LYS  70   6.728   4.906  -9.191
  560   2HD   LYS  70           HD1      LYS  70   5.918   6.236  -8.363
  561   1HE   LYS  70           HE2      LYS  70   7.512   6.193  -6.561
  562   2HE   LYS  70           HE1      LYS  70   8.224   4.692  -7.155
  563   1HZ   LYS  70           HZ3      LYS  70   8.466   6.236  -9.302
  564   2HZ   LYS  70           HZ2      LYS  70   8.585   7.418  -8.088
  565   3HZ   LYS  70           HZ1      LYS  70   9.666   6.107  -8.111
  566    H    LEU  71           HN       LEU  71   4.222   7.105  -5.151
  567    HA   LEU  71           HA       LEU  71   4.243   9.624  -6.706
  568   1HB   LEU  71           HB2      LEU  71   2.963  10.721  -4.770
  569   2HB   LEU  71           HB1      LEU  71   2.019   9.724  -5.875
  570    HG   LEU  71           HG       LEU  71   2.163   7.826  -4.309
  571   1HD1  LEU  71          HD11      LEU  71   3.899   9.762  -2.785
  572   2HD1  LEU  71          HD13      LEU  71   3.006   8.507  -1.927
  573   3HD1  LEU  71          HD12      LEU  71   4.195   8.062  -3.150
  574   1HD2  LEU  71          HD21      LEU  71   0.518   9.943  -4.097
  575   2HD2  LEU  71          HD23      LEU  71   0.458   8.593  -2.963
  576   3HD2  LEU  71          HD22      LEU  71   1.321  10.069  -2.532
  577    H    GLU  72           HN       GLU  72   4.965  11.446  -5.127
  578    HA   GLU  72           HA       GLU  72   6.760  10.507  -2.982
  579   1HB   GLU  72           HB2      GLU  72   7.993  10.578  -5.287
  580   2HB   GLU  72           HB1      GLU  72   7.892  12.330  -5.103
  581   1HG   GLU  72           HG2      GLU  72   9.007  12.151  -2.895
  582   2HG   GLU  72           HG1      GLU  72   9.151  10.406  -3.119
  583    H    TYR  73           HN       TYR  73   5.140  11.686  -1.754
  584    HA   TYR  73           HA       TYR  73   4.838  14.559  -2.293
  585   1HB   TYR  73           HB2      TYR  73   3.285  12.579  -0.982
  586   2HB   TYR  73           HB1      TYR  73   3.761  13.741   0.258
  587    HD1  TYR  73           HD2      TYR  73   3.113  16.112   0.087
  588    HD2  TYR  73           HD1      TYR  73   1.876  13.231  -2.850
  589    HE1  TYR  73           HE2      TYR  73   1.426  17.715  -0.779
  590    HE2  TYR  73           HE1      TYR  73   0.192  14.832  -3.713
  591    HH   TYR  73           HH       TYR  73  -0.806  17.526  -2.053
  592    H    GLU  74           HN       GLU  74   6.137  16.067  -1.383
  593    HA   GLU  74           HA       GLU  74   8.042  15.147   0.674
  594   1HB   GLU  74           HB2      GLU  74   8.343  16.804  -1.515
  595   2HB   GLU  74           HB1      GLU  74   8.196  17.959  -0.190
  596   1HG   GLU  74           HG2      GLU  74   9.880  15.939   0.793
  597   2HG   GLU  74           HG1      GLU  74  10.426  16.227  -0.860
  598    H    PHE  75           HN       PHE  75   8.354  16.566   2.605
  599    HA   PHE  75           HA       PHE  75   5.839  18.013   3.308
  600   1HB   PHE  75           HB2      PHE  75   7.207  15.763   4.665
  601   2HB   PHE  75           HB1      PHE  75   6.698  17.072   5.726
  602    HD1  PHE  75           HD2      PHE  75   5.417  15.003   2.870
  603    HD2  PHE  75           HD1      PHE  75   4.490  17.088   6.509
  604    HE1  PHE  75           HE2      PHE  75   3.080  14.183   2.745
  605    HE2  PHE  75           HE1      PHE  75   2.153  16.269   6.383
  606    HZ   PHE  75           HZ       PHE  75   1.448  14.815   4.502
  607    HA   PRO  76           HA       PRO  76   8.060  21.464   4.839
  608   1HB   PRO  76           HB2      PRO  76   7.522  20.978   7.667
  609   2HB   PRO  76           HB1      PRO  76   6.876  22.253   6.620
  610   1HG   PRO  76           HG2      PRO  76   5.509  19.902   7.563
  611   2HG   PRO  76           HG1      PRO  76   4.884  21.144   6.468
  612   1HD   PRO  76           HD2      PRO  76   5.552  18.452   5.811
  613   2HD   PRO  76           HD1      PRO  76   5.084  19.740   4.686
  614    H    ASP  77           HN       ASP  77   8.550  18.347   6.263
  615    HA   ASP  77           HA       ASP  77  11.423  18.584   6.236
  616   1HB   ASP  77           HB2      ASP  77  10.090  19.485   8.607
  617   2HB   ASP  77           HB1      ASP  77  10.890  17.958   8.980
  618    H    ARG  78           HN       ARG  78   9.524  16.870   5.115
  619    HA   ARG  78           HA       ARG  78  10.356  14.287   6.284
  620   1HB   ARG  78           HB2      ARG  78   7.833  15.468   6.868
  621   2HB   ARG  78           HB1      ARG  78   7.528  14.161   5.717
  622   1HG   ARG  78           HG2      ARG  78   9.397  13.082   7.497
  623   2HG   ARG  78           HG1      ARG  78   8.288  13.994   8.523
  624   1HD   ARG  78           HD2      ARG  78   6.404  12.849   7.175
  625   2HD   ARG  78           HD1      ARG  78   7.653  11.735   6.624
  626    HE   ARG  78           HE       ARG  78   6.363  11.325   8.994
  627   1HH1  ARG  78          HH11      ARG  78   9.525  11.241   7.851
  628   2HH1  ARG  78          HH12      ARG  78  10.264  11.036   9.405
  629   1HH2  ARG  78          HH21      ARG  78   7.319  11.528  11.165
  630   2HH2  ARG  78          HH22      ARG  78   9.016  11.199  11.281
  631    H    HIS  79           HN       HIS  79  11.456  14.014   4.231
  632    HA   HIS  79           HA       HIS  79   9.927  14.177   1.735
  633   1HB   HIS  79           HB2      HIS  79  12.466  14.580   2.044
  634   2HB   HIS  79           HB1      HIS  79  12.602  12.823   2.109
  635    HD1  HIS  79           HD1      HIS  79  13.920  14.289  -0.233
  636    HD2  HIS  79           HD2      HIS  79   9.979  12.851  -0.324
  637    HE1  HIS  79           HE1      HIS  79  13.285  13.998  -2.681
  638    H    ILE  80           HN       ILE  80   8.276  12.611   1.753
  639    HA   ILE  80           HA       ILE  80   9.185   9.827   2.332
  640    HB   ILE  80           HB       ILE  80   6.334  10.816   2.441
  641   1HG1  ILE  80          HG12      ILE  80   7.008  11.948   4.311
  642   2HG1  ILE  80          HG11      ILE  80   6.963  10.349   5.041
  643   1HG2  ILE  80          HG21      ILE  80   7.504   8.279   2.387
  644   2HG2  ILE  80          HG23      ILE  80   7.086   8.549   4.075
  645   3HG2  ILE  80          HG22      ILE  80   5.844   8.665   2.828
  646   1HD1  ILE  80          HD11      ILE  80   9.503  10.399   3.990
  647   2HD1  ILE  80          HD13      ILE  80   9.271  12.082   4.446
  648   3HD1  ILE  80          HD12      ILE  80   9.101  10.810   5.650
  649    H    THR  81           HN       THR  81   8.669   8.188   0.986
  650    HA   THR  81           HA       THR  81   7.374   8.893  -1.620
  651    HB   THR  81           HB       THR  81   9.295   6.602  -1.311
  652    HG1  THR  81           HG1      THR  81   9.950   9.340  -1.646
  653   1HG2  THR  81          HG23      THR  81   8.054   8.195  -3.465
  654   2HG2  THR  81          HG22      THR  81   9.758   7.811  -3.713
  655   3HG2  THR  81          HG21      THR  81   8.588   6.513  -3.468
  656    H    LEU  82           HN       LEU  82   6.305   6.864  -2.611
  657    HA   LEU  82           HA       LEU  82   5.624   4.779  -0.637
  658   1HB   LEU  82           HB2      LEU  82   3.998   6.967  -0.698
  659   2HB   LEU  82           HB1      LEU  82   3.222   5.943  -1.907
  660    HG   LEU  82           HG       LEU  82   3.856   4.189   0.176
  661   1HD1  LEU  82          HD11      LEU  82   3.954   6.714   1.295
  662   2HD1  LEU  82          HD13      LEU  82   2.285   6.229   1.592
  663   3HD1  LEU  82          HD12      LEU  82   3.612   5.227   2.179
  664   1HD2  LEU  82          HD23      LEU  82   1.290   5.629  -0.558
  665   2HD2  LEU  82          HD22      LEU  82   1.835   4.059  -1.148
  666   3HD2  LEU  82          HD21      LEU  82   1.360   4.249   0.539
  667    H    TRP  83           HN       TRP  83   6.868   3.649  -2.398
  668    HA   TRP  83           HA       TRP  83   6.030   3.428  -5.082
  669   1HB   TRP  83           HB2      TRP  83   7.067   1.206  -3.294
  670   2HB   TRP  83           HB1      TRP  83   7.036   1.168  -5.056
  671    HD1  TRP  83           HD1      TRP  83   8.692   3.024  -2.137
  672    HE1  TRP  83           HE1      TRP  83  10.905   4.095  -2.963
  673    HE3  TRP  83           HE3      TRP  83   8.321   1.986  -7.124
  674    HZ2  TRP  83           HZ2      TRP  83  12.292   4.448  -5.434
  675    HZ3  TRP  83           HZ3      TRP  83  10.102   2.703  -8.690
  676    HH2  TRP  83           HH2      TRP  83  12.087   3.933  -7.853
  677    H    PHE  84           HN       PHE  84   4.170   2.634  -6.008
  678    HA   PHE  84           HA       PHE  84   2.269   1.182  -4.225
  679   1HB   PHE  84           HB2      PHE  84   1.959   2.898  -6.673
  680   2HB   PHE  84           HB1      PHE  84   0.717   1.708  -6.285
  681    HD1  PHE  84           HD2      PHE  84   2.572   4.639  -4.930
  682    HD2  PHE  84           HD1      PHE  84  -0.832   2.054  -4.516
  683    HE1  PHE  84           HE2      PHE  84   1.614   6.176  -3.236
  684    HE2  PHE  84           HE1      PHE  84  -1.788   3.589  -2.820
  685    HZ   PHE  84           HZ       PHE  84  -0.568   5.651  -2.183
  686    H    TRP  85           HN       TRP  85   3.628  -0.815  -4.611
  687    HA   TRP  85           HA       TRP  85   3.628  -1.915  -7.316
  688   1HB   TRP  85           HB2      TRP  85   4.480  -2.926  -4.613
  689   2HB   TRP  85           HB1      TRP  85   4.339  -4.043  -5.971
  690    HD1  TRP  85           HD1      TRP  85   6.233  -0.892  -4.874
  691    HE1  TRP  85           HE1      TRP  85   8.399  -0.670  -6.286
  692    HE3  TRP  85           HE3      TRP  85   5.494  -4.741  -8.151
  693    HZ2  TRP  85           HZ2      TRP  85   9.615  -1.990  -8.521
  694    HZ3  TRP  85           HZ3      TRP  85   7.170  -5.236  -9.908
  695    HH2  TRP  85           HH2      TRP  85   9.228  -3.866 -10.095
  696    H    LEU  86           HN       LEU  86   1.388  -2.031  -7.911
  697    HA   LEU  86           HA       LEU  86  -0.555  -3.284  -6.170
  698   1HB   LEU  86           HB2      LEU  86  -0.518  -2.301  -8.985
  699   2HB   LEU  86           HB1      LEU  86  -1.739  -3.506  -8.579
  700    HG   LEU  86           HG       LEU  86  -2.754  -1.388  -8.177
  701   1HD1  LEU  86          HD13      LEU  86  -2.643  -3.250  -6.255
  702   2HD1  LEU  86          HD12      LEU  86  -1.849  -1.935  -5.386
  703   3HD1  LEU  86          HD11      LEU  86  -3.482  -1.718  -6.016
  704   1HD2  LEU  86          HD21      LEU  86  -0.164  -0.495  -7.816
  705   2HD2  LEU  86          HD23      LEU  86  -1.615   0.464  -7.534
  706   3HD2  LEU  86          HD22      LEU  86  -0.840  -0.376  -6.191
  707    H    VAL  87           HN       VAL  87  -1.043  -5.392  -5.940
  708    HA   VAL  87           HA       VAL  87   0.220  -7.314  -7.854
  709    HB   VAL  87           HB       VAL  87   0.957  -8.617  -6.123
  710   1HG1  VAL  87          HG13      VAL  87   0.488  -5.930  -4.816
  711   2HG1  VAL  87          HG12      VAL  87   1.327  -7.240  -3.987
  712   3HG1  VAL  87          HG11      VAL  87   1.989  -6.577  -5.481
  713   1HG2  VAL  87          HG22      VAL  87  -1.459  -7.747  -4.501
  714   2HG2  VAL  87          HG21      VAL  87  -1.308  -9.258  -5.398
  715   3HG2  VAL  87          HG23      VAL  87  -0.276  -8.957  -4.002
  716    H    GLU  88           HN       GLU  88  -1.199  -9.625  -7.478
  717    HA   GLU  88           HA       GLU  88  -4.046  -8.943  -7.159
  718   1HB   GLU  88           HB2      GLU  88  -2.837  -9.569  -9.849
  719   2HB   GLU  88           HB1      GLU  88  -4.557  -9.769  -9.516
  720   1HG   GLU  88           HG2      GLU  88  -4.619  -7.362  -8.765
  721   2HG   GLU  88           HG1      GLU  88  -2.953  -7.204  -9.327
  722    H    ARG  89           HN       ARG  89  -1.682 -11.321  -6.810
  723    HA   ARG  89           HA       ARG  89  -3.847 -13.313  -6.523
  724   1HB   ARG  89           HB2      ARG  89  -2.946 -14.949  -7.996
  725   2HB   ARG  89           HB1      ARG  89  -2.969 -13.441  -8.910
  726   1HG   ARG  89           HG2      ARG  89  -0.762 -13.691  -9.273
  727   2HG   ARG  89           HG1      ARG  89  -0.500 -13.491  -7.545
  728   1HD   ARG  89           HD2      ARG  89   0.460 -15.588  -7.929
  729   2HD   ARG  89           HD1      ARG  89  -1.175 -16.024  -7.426
  730    HE   ARG  89           HE       ARG  89  -1.373 -15.786 -10.178
  731   1HH1  ARG  89          HH21      ARG  89   1.615 -16.686  -9.484
  732   2HH1  ARG  89          HH22      ARG  89   1.476 -18.365  -9.887
  733   1HH2  ARG  89          HH11      ARG  89  -1.988 -18.311 -10.051
  734   2HH2  ARG  89          HH12      ARG  89  -0.565 -19.285 -10.209
  735    H    TRP  90           HN       TRP  90  -2.932 -12.695  -4.268
  736    HA   TRP  90           HA       TRP  90  -0.372 -13.955  -3.595
  737   1HB   TRP  90           HB2      TRP  90  -0.875 -13.303  -1.320
  738   2HB   TRP  90           HB1      TRP  90  -1.228 -11.941  -2.385
  739    HD1  TRP  90           HD1      TRP  90  -3.052 -14.878  -0.666
  740    HE1  TRP  90           HE1      TRP  90  -5.494 -14.166  -0.158
  741    HE3  TRP  90           HE3      TRP  90  -3.049 -10.251  -2.834
  742    HZ2  TRP  90           HZ2      TRP  90  -7.184 -11.911  -0.636
  743    HZ3  TRP  90           HZ3      TRP  90  -5.091  -8.847  -2.790
  744    HH2  TRP  90           HH2      TRP  90  -7.153  -9.669  -1.696
  745    H    GLU  91           HN       GLU  91  -0.363 -15.642  -1.766
  746    HA   GLU  91           HA       GLU  91  -2.361 -17.715  -2.459
  747   1HB   GLU  91           HB2      GLU  91  -0.649 -19.150  -2.146
  748   2HB   GLU  91           HB1      GLU  91   0.392 -17.772  -1.835
  749   1HG   GLU  91           HG2      GLU  91   0.017 -17.904   0.532
  750   2HG   GLU  91           HG1      GLU  91  -1.280 -19.080   0.319
  751    H    GLY  92           HN       GLY  92  -3.773 -18.621  -0.950
  752   1HA   GLY  92           HA2      GLY  92  -5.322 -18.392   0.819
  753   2HA   GLY  92           HA1      GLY  92  -3.852 -18.520   1.783
  754    H    GLU  93           HN       GLU  93  -2.914 -16.602   2.627
  755    HA   GLU  93           HA       GLU  93  -4.764 -14.259   2.618
  756   1HB   GLU  93           HB2      GLU  93  -3.815 -13.680   4.770
  757   2HB   GLU  93           HB1      GLU  93  -4.234 -15.391   4.813
  758   1HG   GLU  93           HG2      GLU  93  -1.942 -16.039   4.427
  759   2HG   GLU  93           HG1      GLU  93  -1.470 -14.368   4.117
  760    HA   PRO  94           HA       PRO  94  -1.713 -11.739   0.705
  761   1HB   PRO  94           HB2      PRO  94  -2.212  -9.366   2.120
  762   2HB   PRO  94           HB1      PRO  94  -3.102  -9.919   0.696
  763   1HG   PRO  94           HG2      PRO  94  -3.977  -9.827   3.485
  764   2HG   PRO  94           HG1      PRO  94  -4.945 -10.093   2.031
  765   1HD   PRO  94           HD2      PRO  94  -4.116 -12.046   3.969
  766   2HD   PRO  94           HD1      PRO  94  -5.024 -12.335   2.472
  767    H    TRP  95           HN       TRP  95  -0.423  -9.502   1.968
  768    HA   TRP  95           HA       TRP  95   0.763 -10.030   4.461
  769   1HB   TRP  95           HB2      TRP  95   2.926 -10.946   3.839
  770   2HB   TRP  95           HB1      TRP  95   1.652 -12.026   3.281
  771    HD1  TRP  95           HD1      TRP  95   1.075  -9.796   0.777
  772    HE1  TRP  95           HE1      TRP  95   2.577 -10.085  -1.315
  773    HE3  TRP  95           HE3      TRP  95   4.841 -12.531   2.845
  774    HZ2  TRP  95           HZ2      TRP  95   5.100 -11.346  -1.967
  775    HZ3  TRP  95           HZ3      TRP  95   6.771 -13.266   1.484
  776    HH2  TRP  95           HH2      TRP  95   6.905 -12.681  -0.920
  777    H    GLY  96           HN       GLY  96  -0.145  -7.727   3.226
  778   1HA   GLY  96           HA2      GLY  96   2.414  -6.230   2.827
  779   2HA   GLY  96           HA1      GLY  96   0.993  -5.893   1.842
  780    H    LYS  97           HN       LYS  97  -0.696  -6.376   4.403
  781    HA   LYS  97           HA       LYS  97  -1.123  -3.698   5.073
  782   1HB   LYS  97           HB2      LYS  97  -2.518  -4.428   6.793
  783   2HB   LYS  97           HB1      LYS  97  -2.488  -5.823   5.723
  784   1HG   LYS  97           HG2      LYS  97  -0.816  -5.469   8.230
  785   2HG   LYS  97           HG1      LYS  97  -2.207  -6.528   8.048
  786   1HD   LYS  97           HD2      LYS  97  -0.743  -7.392   5.956
  787   2HD   LYS  97           HD1      LYS  97   0.561  -6.876   7.028
  788   1HE   LYS  97           HE2      LYS  97  -1.711  -8.604   8.010
  789   2HE   LYS  97           HE1      LYS  97  -0.263  -9.298   7.287
  790   1HZ   LYS  97           HZ3      LYS  97   1.036  -7.985   8.936
  791   2HZ   LYS  97           HZ2      LYS  97  -0.427  -7.587   9.702
  792   3HZ   LYS  97           HZ1      LYS  97   0.078  -9.207   9.616
  793    H    GLU  98           HN       GLU  98   0.517  -2.366   5.593
  794    HA   GLU  98           HA       GLU  98   2.693  -3.242   7.355
  795   1HB   GLU  98           HB2      GLU  98   3.145  -1.737   5.470
  796   2HB   GLU  98           HB1      GLU  98   2.086  -0.517   6.176
  797   1HG   GLU  98           HG2      GLU  98   4.481  -0.086   6.692
  798   2HG   GLU  98           HG1      GLU  98   3.530  -0.372   8.149
  799    H    GLY  99           HN       GLY  99   1.736  -3.597   9.399
  800   1HA   GLY  99           HA2      GLY  99   0.924  -2.974  11.509
  801   2HA   GLY  99           HA1      GLY  99   1.426  -1.333  11.097
  802    H    GLN 100           HN       GLN 100  -0.681  -2.696   8.805
  803    HA   GLN 100           HA       GLN 100  -2.963  -1.179   9.990
  804   1HB   GLN 100           HB2      GLN 100  -3.593  -0.470   7.846
  805   2HB   GLN 100           HB1      GLN 100  -1.836  -0.441   7.733
  806   1HG   GLN 100           HG2      GLN 100  -1.814  -2.594   6.613
  807   2HG   GLN 100           HG1      GLN 100  -3.551  -2.788   6.863
  808   1HE2  GLN 100          HE22      GLN 100  -2.832   0.419   4.447
  809   2HE2  GLN 100          HE21      GLN 100  -2.194   0.366   6.020
  810    HA   PRO 101           HA       PRO 101  -5.423  -4.771  10.102
  811   1HB   PRO 101           HB2      PRO 101  -7.624  -3.699   8.557
  812   2HB   PRO 101           HB1      PRO 101  -7.518  -3.915  10.310
  813   1HG   PRO 101           HG2      PRO 101  -7.435  -1.443   8.876
  814   2HG   PRO 101           HG1      PRO 101  -7.189  -1.678  10.610
  815   1HD   PRO 101           HD2      PRO 101  -5.208  -1.029   8.593
  816   2HD   PRO 101           HD1      PRO 101  -4.990  -1.156  10.347
  817    H    GLY 102           HN       GLY 102  -5.518  -3.141   6.928
  818   1HA   GLY 102           HA2      GLY 102  -5.403  -4.017   4.754
  819   2HA   GLY 102           HA1      GLY 102  -4.417  -5.297   5.465
  820    H    GLU 103           HN       GLU 103  -7.336  -4.674   3.910
  821    HA   GLU 103           HA       GLU 103  -8.232  -7.436   4.563
  822   1HB   GLU 103           HB2      GLU 103 -10.631  -6.497   4.790
  823   2HB   GLU 103           HB1      GLU 103  -9.544  -6.316   6.165
  824   1HG   GLU 103           HG2      GLU 103  -8.937  -4.024   5.097
  825   2HG   GLU 103           HG1      GLU 103 -10.434  -4.219   4.180
  826    H    TRP 104           HN       TRP 104  -9.015  -8.483   2.771
  827    HA   TRP 104           HA       TRP 104  -8.847  -7.445   0.177
  828   1HB   TRP 104           HB2      TRP 104 -11.042  -9.383   0.939
  829   2HB   TRP 104           HB1      TRP 104 -10.145  -9.289  -0.577
  830    HD1  TRP 104           HD1      TRP 104  -7.255  -9.341   0.172
  831    HE1  TRP 104           HE1      TRP 104  -6.131 -11.322   1.402
  832    HE3  TRP 104           HE3      TRP 104 -11.386 -11.434   2.325
  833    HZ2  TRP 104           HZ2      TRP 104  -6.929 -13.495   3.089
  834    HZ3  TRP 104           HZ3      TRP 104 -11.175 -13.456   3.743
  835    HH2  TRP 104           HH2      TRP 104  -8.954 -14.490   4.127
  836    H    MET 105           HN       MET 105  -9.983  -5.891  -0.840
  837    HA   MET 105           HA       MET 105 -12.679  -5.226   0.255
  838   1HB   MET 105           HB2      MET 105 -10.771  -3.541   0.683
  839   2HB   MET 105           HB1      MET 105 -10.818  -3.233  -1.053
  840   1HG   MET 105           HG2      MET 105 -12.222  -1.631   0.240
  841   2HG   MET 105           HG1      MET 105 -13.153  -2.571  -0.923
  842   1HE   MET 105           HE1      MET 105 -11.491  -3.303   2.363
  843   2HE   MET 105           HE3      MET 105 -12.737  -4.006   3.401
  844   3HE   MET 105           HE2      MET 105 -12.114  -4.915   2.029
  845    H    SER 106           HN       SER 106 -14.040  -6.087  -1.270
  846    HA   SER 106           HA       SER 106 -13.369  -6.182  -4.093
  847   1HB   SER 106           HB2      SER 106 -16.179  -6.331  -3.798
  848   2HB   SER 106           HB1      SER 106 -15.061  -7.674  -4.003
  849    HG   SER 106           HG       SER 106 -16.277  -7.879  -2.086
  850    H    LEU 107           HN       LEU 107 -12.773  -3.913  -4.346
  851    HA   LEU 107           HA       LEU 107 -14.821  -1.880  -3.936
  852   1HB   LEU 107           HB2      LEU 107 -12.292  -1.567  -3.691
  853   2HB   LEU 107           HB1      LEU 107 -12.231  -1.505  -5.449
  854    HG   LEU 107           HG       LEU 107 -14.259   0.196  -4.075
  855   1HD1  LEU 107          HD11      LEU 107 -11.293   0.486  -3.857
  856   2HD1  LEU 107          HD13      LEU 107 -12.235   1.947  -4.155
  857   3HD1  LEU 107          HD12      LEU 107 -12.552   0.970  -2.721
  858   1HD2  LEU 107          HD22      LEU 107 -12.473   0.394  -6.511
  859   2HD2  LEU 107          HD21      LEU 107 -14.225   0.197  -6.480
  860   3HD2  LEU 107          HD23      LEU 107 -13.501   1.719  -5.964
  861    H    VAL 108           HN       VAL 108 -12.932  -2.278  -6.916
  862    HA   VAL 108           HA       VAL 108 -13.964  -3.050  -9.041
  863    HB   VAL 108           HB       VAL 108 -16.335  -1.493  -7.963
  864   1HG1  VAL 108          HG12      VAL 108 -15.680  -2.505 -10.717
  865   2HG1  VAL 108          HG11      VAL 108 -17.346  -2.265 -10.190
  866   3HG1  VAL 108          HG13      VAL 108 -16.229  -0.900 -10.236
  867   1HG2  VAL 108          HG21      VAL 108 -15.579  -4.255  -7.916
  868   2HG2  VAL 108          HG23      VAL 108 -17.090  -3.536  -7.357
  869   3HG2  VAL 108          HG22      VAL 108 -16.939  -4.085  -9.026
  870    H    GLY 109           HN       GLY 109 -12.465  -1.857 -10.174
  871   1HA   GLY 109           HA2      GLY 109 -11.365   0.064 -11.016
  872   2HA   GLY 109           HA1      GLY 109 -13.009   0.534 -11.447
  873    H    LEU 110           HN       LEU 110 -10.641   0.650  -8.813
  874    HA   LEU 110           HA       LEU 110 -11.869   2.120  -6.878
  875   1HB   LEU 110           HB2      LEU 110  -9.178   1.731  -7.715
  876   2HB   LEU 110           HB1      LEU 110  -9.412   3.452  -7.332
  877    HG   LEU 110           HG       LEU 110 -10.797   2.197  -5.314
  878   1HD1  LEU 110          HD13      LEU 110  -9.876   0.013  -6.046
  879   2HD1  LEU 110          HD12      LEU 110  -8.243   0.646  -5.833
  880   3HD1  LEU 110          HD11      LEU 110  -9.306   0.459  -4.438
  881   1HD2  LEU 110          HD21      LEU 110  -8.440   3.789  -5.685
  882   2HD2  LEU 110          HD23      LEU 110  -9.487   3.691  -4.271
  883   3HD2  LEU 110          HD22      LEU 110  -8.122   2.587  -4.437
  884    H    ASN 111           HN       ASN 111 -11.848   4.467  -6.378
  885    HA   ASN 111           HA       ASN 111 -12.134   6.186  -8.803
  886   1HB   ASN 111           HB2      ASN 111 -14.276   5.083  -7.597
  887   2HB   ASN 111           HB1      ASN 111 -14.123   6.555  -6.625
  888   1HD2  ASN 111          HD22      ASN 111 -15.798   6.852 -10.224
  889   2HD2  ASN 111          HD21      ASN 111 -15.643   5.404  -9.354
  890    H    ALA 112           HN       ALA 112 -10.946   5.841  -5.637
  891    HA   ALA 112           HA       ALA 112  -9.617   7.372  -4.407
  892   1HB   ALA 112           HB2      ALA 112  -9.344   8.669  -6.583
  893   2HB   ALA 112           HB1      ALA 112 -10.758   9.602  -6.107
  894   3HB   ALA 112           HB3      ALA 112  -9.305   9.634  -5.113
  895    H    ASP 113           HN       ASP 113 -12.969   7.802  -5.194
  896    HA   ASP 113           HA       ASP 113 -13.816   9.636  -3.228
  897   1HB   ASP 113           HB2      ASP 113 -14.991   7.962  -5.109
  898   2HB   ASP 113           HB1      ASP 113 -15.578   7.322  -3.586
  899    H    ASP 114           HN       ASP 114 -12.851   6.294  -3.068
  900    HA   ASP 114           HA       ASP 114 -13.682   6.049  -0.244
  901   1HB   ASP 114           HB2      ASP 114 -12.860   4.219  -2.438
  902   2HB   ASP 114           HB1      ASP 114 -12.447   3.715  -0.791
  903    H    PHE 115           HN       PHE 115 -10.906   6.773  -2.161
  904    HA   PHE 115           HA       PHE 115  -9.020   6.142   0.041
  905   1HB   PHE 115           HB2      PHE 115  -8.752   6.835  -2.859
  906   2HB   PHE 115           HB1      PHE 115  -7.402   7.187  -1.784
  907    HD1  PHE 115           HD2      PHE 115  -9.881   4.387  -2.150
  908    HD2  PHE 115           HD1      PHE 115  -5.762   5.552  -1.801
  909    HE1  PHE 115           HE2      PHE 115  -9.197   2.006  -2.244
  910    HE2  PHE 115           HE1      PHE 115  -5.079   3.170  -1.895
  911    HZ   PHE 115           HZ       PHE 115  -6.797   1.398  -2.119
  912    HA   PRO 116           HA       PRO 116  -8.923  10.279   1.530
  913   1HB   PRO 116           HB2      PRO 116  -6.169  10.122   2.288
  914   2HB   PRO 116           HB1      PRO 116  -7.579   9.883   3.320
  915   1HG   PRO 116           HG2      PRO 116  -5.719   7.890   2.403
  916   2HG   PRO 116           HG1      PRO 116  -7.152   7.647   3.412
  917   1HD   PRO 116           HD2      PRO 116  -6.788   6.963   0.615
  918   2HD   PRO 116           HD1      PRO 116  -8.181   6.619   1.660
  919    HA   PRO 117           HA       PRO 117  -7.198  12.574  -1.841
  920   1HB   PRO 117           HB2      PRO 117  -7.032  14.978  -0.276
  921   2HB   PRO 117           HB1      PRO 117  -8.266  14.537  -1.462
  922   1HG   PRO 117           HG2      PRO 117  -8.549  14.644   1.401
  923   2HG   PRO 117           HG1      PRO 117  -9.773  14.182   0.212
  924   1HD   PRO 117           HD2      PRO 117  -8.337  12.466   2.045
  925   2HD   PRO 117           HD1      PRO 117  -9.597  12.012   0.879
  926    H    ALA 118           HN       ALA 118  -5.752  12.601   1.373
  927    HA   ALA 118           HA       ALA 118  -3.400  14.006   1.095
  928   1HB   ALA 118           HB3      ALA 118  -4.030  12.611   3.084
  929   2HB   ALA 118           HB2      ALA 118  -3.522  11.180   2.187
  930   3HB   ALA 118           HB1      ALA 118  -2.343  12.424   2.605
  931    H    ASN 119           HN       ASN 119  -3.943  10.687  -0.098
  932    HA   ASN 119           HA       ASN 119  -1.422  10.891  -1.655
  933   1HB   ASN 119           HB2      ASN 119  -3.003   8.699  -0.528
  934   2HB   ASN 119           HB1      ASN 119  -2.574   8.418  -2.216
  935   1HD2  ASN 119          HD22      ASN 119   0.726   9.302   0.031
  936   2HD2  ASN 119          HD21      ASN 119  -0.590  10.373  -0.008
  937    H    GLU 120           HN       GLU 120  -3.098  12.659  -2.623
  938    HA   GLU 120           HA       GLU 120  -5.081  11.828  -4.482
  939   1HB   GLU 120           HB2      GLU 120  -3.763  14.249  -3.689
  940   2HB   GLU 120           HB1      GLU 120  -3.877  14.194  -5.449
  941   1HG   GLU 120           HG2      GLU 120  -6.325  13.292  -4.092
  942   2HG   GLU 120           HG1      GLU 120  -5.917  14.978  -3.764
  943    HA   PRO 121           HA       PRO 121  -1.427  12.355  -7.728
  944   1HB   PRO 121           HB2      PRO 121   0.754  11.046  -6.296
  945   2HB   PRO 121           HB1      PRO 121   0.758  12.583  -7.168
  946   1HG   PRO 121           HG2      PRO 121   0.820  12.290  -4.376
  947   2HG   PRO 121           HG1      PRO 121   0.422  13.778  -5.245
  948   1HD   PRO 121           HD2      PRO 121  -1.345  12.006  -3.741
  949   2HD   PRO 121           HD1      PRO 121  -1.684  13.629  -4.378
  950    H    VAL 122           HN       VAL 122  -1.171   9.546  -5.494
  951    HA   VAL 122           HA       VAL 122  -1.071   7.755  -7.836
  952    HB   VAL 122           HB       VAL 122  -0.577   7.535  -4.934
  953   1HG1  VAL 122          HG13      VAL 122  -1.916   5.390  -6.530
  954   2HG1  VAL 122          HG12      VAL 122  -0.660   4.918  -5.388
  955   3HG1  VAL 122          HG11      VAL 122  -2.088   5.780  -4.819
  956   1HG2  VAL 122          HG21      VAL 122   1.023   7.562  -7.066
  957   2HG2  VAL 122          HG23      VAL 122   1.428   6.614  -5.635
  958   3HG2  VAL 122          HG22      VAL 122   0.696   5.830  -7.034
  959    H    ILE 123           HN       ILE 123  -3.320   8.574  -5.213
  960    HA   ILE 123           HA       ILE 123  -5.273   6.575  -5.845
  961    HB   ILE 123           HB       ILE 123  -5.350   9.216  -4.403
  962   1HG1  ILE 123          HG12      ILE 123  -5.810   7.874  -2.508
  963   2HG1  ILE 123          HG11      ILE 123  -6.363   6.522  -3.492
  964   1HG2  ILE 123          HG22      ILE 123  -7.750   7.554  -5.225
  965   2HG2  ILE 123          HG21      ILE 123  -7.794   8.782  -3.961
  966   3HG2  ILE 123          HG23      ILE 123  -7.444   9.242  -5.628
  967   1HD1  ILE 123          HD12      ILE 123  -3.515   7.504  -3.660
  968   2HD1  ILE 123          HD11      ILE 123  -4.010   6.342  -2.431
  969   3HD1  ILE 123          HD13      ILE 123  -4.167   5.936  -4.140
  970    H    ALA 124           HN       ALA 124  -4.281   9.486  -7.353
  971    HA   ALA 124           HA       ALA 124  -6.629  10.164  -8.834
  972   1HB   ALA 124           HB3      ALA 124  -3.673  10.590  -9.269
  973   2HB   ALA 124           HB2      ALA 124  -4.863  11.140 -10.449
  974   3HB   ALA 124           HB1      ALA 124  -4.891  11.778  -8.804
  975    H    LYS 125           HN       LYS 125  -4.097   7.846  -9.217
  976    HA   LYS 125           HA       LYS 125  -4.787   7.070 -11.930
  977   1HB   LYS 125           HB2      LYS 125  -3.021   5.702  -9.880
  978   2HB   LYS 125           HB1      LYS 125  -3.060   5.359 -11.610
  979   1HG   LYS 125           HG2      LYS 125  -2.307   8.006 -10.344
  980   2HG   LYS 125           HG1      LYS 125  -1.190   6.853 -11.073
  981   1HD   LYS 125           HD2      LYS 125  -1.566   7.729 -13.107
  982   2HD   LYS 125           HD1      LYS 125  -3.292   7.410 -12.944
  983   1HE   LYS 125           HE2      LYS 125  -3.760   9.544 -12.212
  984   2HE   LYS 125           HE1      LYS 125  -2.186   9.734 -11.439
  985   1HZ   LYS 125           HZ1      LYS 125  -1.197   9.858 -13.675
  986   2HZ   LYS 125           HZ3      LYS 125  -2.751   9.817 -14.352
  987   3HZ   LYS 125           HZ2      LYS 125  -2.289  11.123 -13.368
  988    H    LEU 126           HN       LEU 126  -5.351   5.707  -8.661
  989    HA   LEU 126           HA       LEU 126  -6.599   3.300  -9.640
  990   1HB   LEU 126           HB2      LEU 126  -7.125   4.748  -7.023
  991   2HB   LEU 126           HB1      LEU 126  -7.590   3.093  -7.402
  992    HG   LEU 126           HG       LEU 126  -5.591   2.361  -6.682
  993   1HD1  LEU 126          HD11      LEU 126  -4.869   2.926  -9.096
  994   2HD1  LEU 126          HD13      LEU 126  -4.092   4.346  -8.394
  995   3HD1  LEU 126          HD12      LEU 126  -3.593   2.729  -7.896
  996   1HD2  LEU 126          HD23      LEU 126  -5.841   4.763  -5.497
  997   2HD2  LEU 126          HD22      LEU 126  -4.456   3.707  -5.221
  998   3HD2  LEU 126          HD21      LEU 126  -4.337   5.035  -6.376
  999    H    LYS 127           HN       LYS 127  -7.571   6.577  -9.421
 1000    HA   LYS 127           HA       LYS 127 -10.408   6.339  -9.350
 1001   1HB   LYS 127           HB2      LYS 127  -8.839   8.287 -11.056
 1002   2HB   LYS 127           HB1      LYS 127 -10.431   8.539 -10.320
 1003   1HG   LYS 127           HG2      LYS 127  -8.884   7.892  -8.146
 1004   2HG   LYS 127           HG1      LYS 127  -7.763   8.811  -9.140
 1005   1HD   LYS 127           HD2      LYS 127 -10.544   9.761  -8.395
 1006   2HD   LYS 127           HD1      LYS 127  -9.065  10.262  -7.574
 1007   1HE   LYS 127           HE2      LYS 127  -8.595  10.612 -10.344
 1008   2HE   LYS 127           HE1      LYS 127 -10.195  11.280 -10.021
 1009   1HZ   LYS 127           HZ1      LYS 127  -9.061  12.378  -8.026
 1010   2HZ   LYS 127           HZ3      LYS 127  -7.605  12.036  -8.827
 1011   3HZ   LYS 127           HZ2      LYS 127  -8.768  13.029  -9.567
 1012    H    ARG 128           HN       ARG 128  -8.015   6.033 -11.855
 1013    HA   ARG 128           HA       ARG 128  -9.960   5.578 -13.995
 1014   1HB   ARG 128           HB2      ARG 128  -7.113   4.822 -14.359
 1015   2HB   ARG 128           HB1      ARG 128  -8.156   5.780 -15.406
 1016   1HG   ARG 128           HG2      ARG 128  -7.932   7.446 -13.258
 1017   2HG   ARG 128           HG1      ARG 128  -6.355   6.649 -13.216
 1018   1HD   ARG 128           HD2      ARG 128  -6.398   7.144 -15.817
 1019   2HD   ARG 128           HD1      ARG 128  -7.541   8.401 -15.342
 1020    HE   ARG 128           HE       ARG 128  -5.424   8.745 -13.591
 1021   1HH1  ARG 128          HH11      ARG 128  -3.699   7.624 -15.770
 1022   2HH1  ARG 128          HH12      ARG 128  -3.280   9.045 -16.670
 1023   1HH2  ARG 128          HH21      ARG 128  -5.799  10.986 -15.285
 1024   2HH2  ARG 128          HH22      ARG 128  -4.470  10.947 -16.395
 1025    H    LEU 129           HN       LEU 129  -8.241   3.748 -11.628
 1026    HA   LEU 129           HA       LEU 129  -7.829   1.246 -12.685
 1027   1HB   LEU 129           HB2      LEU 129  -8.082   2.258 -10.124
 1028   2HB   LEU 129           HB1      LEU 129  -9.350   1.035 -10.198
 1029    HG   LEU 129           HG       LEU 129  -7.569  -0.506 -11.206
 1030   1HD1  LEU 129          HD13      LEU 129  -6.069   1.943 -10.855
 1031   2HD1  LEU 129          HD12      LEU 129  -5.340   0.649  -9.903
 1032   3HD1  LEU 129          HD11      LEU 129  -5.568   0.445 -11.641
 1033   1HD2  LEU 129          HD22      LEU 129  -7.682   0.496  -8.377
 1034   2HD2  LEU 129          HD21      LEU 129  -8.185  -1.065  -9.024
 1035   3HD2  LEU 129          HD23      LEU 129  -6.471  -0.711  -8.810
 1036   3HOG  APC 130           H5T      ATP 130   5.794   2.067   8.870
 1037   1H3A  APC 130           H3P      ATP 130   9.132   2.106   7.403
 1038   2H3A  APC 130          H3P'      ATP 130   8.192   2.522   8.853
 1039   1H5*  APC 130           H5'      ATP 130   9.002   3.915   7.164
 1040   2H5*  APC 130          H5''      ATP 130  10.201   5.175   6.826
 1041    H4*  APC 130           H4'      ATP 130   9.436   5.962   9.292
 1042    H3*  APC 130           H3'      ATP 130   7.374   4.104   8.310
 1043   *HO3  APC 130          H3''      ATP 130   8.570   4.649  10.624
 1044    H2*  APC 130          H2''      ATP 130   5.684   5.543   8.099
 1045   *HO2  APC 130           H2'      ATP 130   5.007   6.579   9.808
 1046    H1*  APC 130           H1'      ATP 130   7.062   8.048   8.491
 1047    H8   APC 130           H8       ATP 130   6.522   5.452   5.650
 1048    H2   APC 130           H2       ATP 130   4.818  11.527   6.725
 1049   1HN6  APC 130           H61      ATP 130   3.695   8.158   2.837
 1050   2HN6  APC 130           H62      ATP 130   3.117   9.806   2.945
 1051   1HN1  CON 131          H1N1      ATP 130  10.930  -0.979  13.585
 1052   2HN1  CON 131          H2N1      ATP 130  11.489  -0.482  12.212
 1053   3HN1  CON 131          H3N1      ATP 130  10.949  -1.943  12.352
 1054   1HN2  CON 131          H1N2      ATP 130   7.216  -1.266  13.847
 1055   2HN2  CON 131          H2N2      ATP 130   8.621  -1.844  14.210
 1056   3HN2  CON 131          H3N2      ATP 130   8.268  -0.368  14.584
 1057   1HN3  CON 131          H1N3      ATP 130   8.478   2.023  12.897
 1058   2HN3  CON 131          H2N3      ATP 130   9.938   1.961  12.353
 1059   3HN3  CON 131          H3N3      ATP 130   9.619   1.423  13.783
 1060   1HN4  CON 131          H1N4      ATP 130   8.775  -2.317  10.338
 1061   2HN4  CON 131          H2N4      ATP 130   9.040  -2.959  11.737
 1062   3HN4  CON 131          H3N4      ATP 130   7.591  -2.513  11.341
 1063   1HO1  MO2 132          H1O1      MG  131   9.596  -1.837   6.382
 1064   2HO1  MO2 132          H2O1      MG  131   9.381  -2.263   7.818
 1065   1HO2  MO2 132          H1O2      MG  131   6.663  -4.903   8.709
 1066   2HO2  MO2 132          H2O2      MG  131   7.983  -4.244   9.030
   
  No H/Q in entry =        1066
  Start of MODEL   14
    1   1H    MET   1           HT2      MET   1  14.436  16.629   5.083
    2   2H    MET   1           HT1      MET   1  14.753  18.259   4.724
    3   3H    MET   1           HT3      MET   1  14.658  17.118   3.471
    4    HA   MET   1           HA       MET   1  16.927  17.414   3.718
    5   1HB   MET   1           HB2      MET   1  18.024  17.549   5.903
    6   2HB   MET   1           HB1      MET   1  16.725  18.741   5.822
    7   1HG   MET   1           HG2      MET   1  15.478  17.679   7.407
    8   2HG   MET   1           HG1      MET   1  15.914  16.076   6.815
    9   1HE   MET   1           HE3      MET   1  15.644  15.499   8.956
   10   2HE   MET   1           HE2      MET   1  17.174  14.680   9.255
   11   3HE   MET   1           HE1      MET   1  16.603  15.904  10.387
   12    H    LYS   2           HN       LYS   2  14.885  15.123   3.863
   13    HA   LYS   2           HA       LYS   2  16.878  12.990   3.988
   14   1HB   LYS   2           HB2      LYS   2  15.339  11.712   5.670
   15   2HB   LYS   2           HB1      LYS   2  16.466  12.904   6.301
   16   1HG   LYS   2           HG2      LYS   2  14.418  13.416   7.372
   17   2HG   LYS   2           HG1      LYS   2  14.542  14.600   6.073
   18   1HD   LYS   2           HD2      LYS   2  12.289  13.689   6.091
   19   2HD   LYS   2           HD1      LYS   2  13.112  13.114   4.649
   20   1HE   LYS   2           HE2      LYS   2  11.949  11.239   5.647
   21   2HE   LYS   2           HE1      LYS   2  13.675  10.998   5.900
   22   1HZ   LYS   2           HZ3      LYS   2  13.434  11.943   8.120
   23   2HZ   LYS   2           HZ2      LYS   2  11.765  12.136   7.869
   24   3HZ   LYS   2           HZ1      LYS   2  12.444  10.580   7.925
   25    H    LYS   3           HN       LYS   3  15.066  10.822   4.116
   26    HA   LYS   3           HA       LYS   3  12.896  11.411   2.217
   27   1HB   LYS   3           HB2      LYS   3  14.355  11.004   0.476
   28   2HB   LYS   3           HB1      LYS   3  15.434  10.030   1.471
   29   1HG   LYS   3           HG2      LYS   3  13.802   8.171   1.423
   30   2HG   LYS   3           HG1      LYS   3  12.728   9.139   0.407
   31   1HD   LYS   3           HD2      LYS   3  13.858   7.981  -1.246
   32   2HD   LYS   3           HD1      LYS   3  14.964   9.343  -1.064
   33   1HE   LYS   3           HE2      LYS   3  16.180   7.941   0.696
   34   2HE   LYS   3           HE1      LYS   3  15.225   6.575   0.125
   35   1HZ   LYS   3           HZ3      LYS   3  16.090   7.423  -2.185
   36   2HZ   LYS   3           HZ2      LYS   3  17.349   8.059  -1.235
   37   3HZ   LYS   3           HZ1      LYS   3  17.029   6.390  -1.221
   38    H    LEU   4           HN       LEU   4  11.518   9.495   1.903
   39    HA   LEU   4           HA       LEU   4  11.940   7.167   3.623
   40   1HB   LEU   4           HB2      LEU   4  10.864   9.159   5.010
   41   2HB   LEU   4           HB1      LEU   4   9.396   8.655   4.169
   42    HG   LEU   4           HG       LEU   4   9.514   7.446   6.210
   43   1HD1  LEU   4          HD11      LEU   4   9.005   6.260   3.943
   44   2HD1  LEU   4          HD13      LEU   4  10.551   5.458   4.208
   45   3HD1  LEU   4          HD12      LEU   4   9.247   5.266   5.375
   46   1HD2  LEU   4          HD21      LEU   4  12.208   7.754   6.026
   47   2HD2  LEU   4          HD23      LEU   4  11.433   6.632   7.143
   48   3HD2  LEU   4          HD22      LEU   4  12.043   6.055   5.594
   49    H    GLN   5           HN       GLN   5  11.392   5.648   2.078
   50    HA   GLN   5           HA       GLN   5   8.989   6.234   0.413
   51   1HB   GLN   5           HB2      GLN   5  11.198   4.197   0.006
   52   2HB   GLN   5           HB1      GLN   5   9.837   4.451  -1.086
   53   1HG   GLN   5           HG2      GLN   5  11.087   6.036  -2.108
   54   2HG   GLN   5           HG1      GLN   5  10.854   7.019  -0.654
   55   1HE2  GLN   5          HE22      GLN   5  14.496   5.392  -1.426
   56   2HE2  GLN   5          HE21      GLN   5  13.187   5.165  -2.481
   57    H    ILE   6           HN       ILE   6   7.689   4.198  -0.117
   58    HA   ILE   6           HA       ILE   6   7.593   2.362   2.226
   59    HB   ILE   6           HB       ILE   6   5.465   4.179   1.161
   60   1HG1  ILE   6          HG12      ILE   6   6.823   3.568   3.672
   61   2HG1  ILE   6          HG11      ILE   6   5.898   4.997   3.225
   62   1HG2  ILE   6          HG21      ILE   6   4.578   1.881   0.792
   63   2HG2  ILE   6          HG23      ILE   6   4.881   1.509   2.489
   64   3HG2  ILE   6          HG22      ILE   6   3.690   2.735   2.055
   65   1HD1  ILE   6          HD12      ILE   6   3.794   3.579   3.637
   66   2HD1  ILE   6          HD11      ILE   6   4.862   2.405   4.401
   67   3HD1  ILE   6          HD13      ILE   6   4.713   4.027   5.069
   68    H    ALA   7           HN       ALA   7   7.662   0.303   1.498
   69    HA   ALA   7           HA       ALA   7   7.149  -0.238  -1.352
   70   1HB   ALA   7           HB1      ALA   7   8.719  -1.436   0.728
   71   2HB   ALA   7           HB3      ALA   7   7.585  -2.645   0.123
   72   3HB   ALA   7           HB2      ALA   7   8.693  -1.839  -0.989
   73    H    VAL   8           HN       VAL   8   4.789   0.539  -0.625
   74    HA   VAL   8           HA       VAL   8   3.234  -1.540   0.706
   75    HB   VAL   8           HB       VAL   8   2.282   0.556   1.092
   76   1HG1  VAL   8          HG13      VAL   8   3.376   1.176  -1.538
   77   2HG1  VAL   8          HG12      VAL   8   1.757   1.833  -1.323
   78   3HG1  VAL   8          HG11      VAL   8   3.036   2.246  -0.183
   79   1HG2  VAL   8          HG22      VAL   8   0.786  -1.272  -0.294
   80   2HG2  VAL   8          HG21      VAL   8   0.133   0.208   0.408
   81   3HG2  VAL   8          HG23      VAL   8   0.582   0.164  -1.297
   82    H    GLY   9           HN       GLY   9   2.480  -0.110  -2.491
   83   1HA   GLY   9           HA2      GLY   9   1.802  -1.204  -4.453
   84   2HA   GLY   9           HA1      GLY   9   2.791  -2.575  -3.921
   85    H    ILE  10           HN       ILE  10  -0.353  -1.108  -3.782
   86    HA   ILE  10           HA       ILE  10  -1.591  -2.800  -1.911
   87    HB   ILE  10           HB       ILE  10  -3.504  -2.370  -3.978
   88   1HG1  ILE  10          HG12      ILE  10  -2.076   0.177  -3.261
   89   2HG1  ILE  10          HG11      ILE  10  -1.740  -0.670  -4.776
   90   1HG2  ILE  10          HG22      ILE  10  -3.241  -2.098  -1.231
   91   2HG2  ILE  10          HG21      ILE  10  -3.444  -0.435  -1.771
   92   3HG2  ILE  10          HG23      ILE  10  -4.664  -1.642  -2.167
   93   1HD1  ILE  10          HD12      ILE  10  -4.487   0.256  -3.878
   94   2HD1  ILE  10          HD11      ILE  10  -3.468   1.113  -5.036
   95   3HD1  ILE  10          HD13      ILE  10  -4.087  -0.491  -5.424
   96    H    ILE  11           HN       ILE  11  -3.110  -4.596  -2.437
   97    HA   ILE  11           HA       ILE  11  -2.003  -6.220  -4.672
   98    HB   ILE  11           HB       ILE  11  -2.529  -8.162  -2.964
   99   1HG1  ILE  11          HG12      ILE  11  -2.085  -5.763  -1.146
  100   2HG1  ILE  11          HG11      ILE  11  -3.602  -6.649  -1.309
  101   1HG2  ILE  11          HG21      ILE  11  -0.255  -6.895  -3.788
  102   2HG2  ILE  11          HG23      ILE  11  -0.172  -6.609  -2.051
  103   3HG2  ILE  11          HG22      ILE  11  -0.258  -8.258  -2.669
  104   1HD1  ILE  11          HD12      ILE  11  -1.155  -8.237  -0.699
  105   2HD1  ILE  11          HD11      ILE  11  -1.829  -7.252   0.600
  106   3HD1  ILE  11          HD13      ILE  11  -2.819  -8.491  -0.171
  107    H    ARG  12           HN       ARG  12  -4.039  -5.214  -5.712
  108    HA   ARG  12           HA       ARG  12  -6.594  -6.311  -4.792
  109   1HB   ARG  12           HB2      ARG  12  -6.946  -5.543  -7.453
  110   2HB   ARG  12           HB1      ARG  12  -7.384  -4.601  -6.044
  111   1HG   ARG  12           HG2      ARG  12  -5.090  -3.651  -6.019
  112   2HG   ARG  12           HG1      ARG  12  -4.733  -4.521  -7.502
  113   1HD   ARG  12           HD2      ARG  12  -6.881  -2.372  -7.177
  114   2HD   ARG  12           HD1      ARG  12  -5.369  -2.227  -8.077
  115    HE   ARG  12           HE       ARG  12  -6.623  -4.452  -9.190
  116   1HH1  ARG  12          HH21      ARG  12  -8.030  -1.465  -8.294
  117   2HH1  ARG  12          HH22      ARG  12  -8.808  -1.216  -9.820
  118   1HH2  ARG  12          HH11      ARG  12  -7.371  -3.988 -11.316
  119   2HH2  ARG  12          HH12      ARG  12  -8.435  -2.637 -11.526
  120    H    ASN  13           HN       ASN  13  -7.844  -7.954  -6.236
  121    HA   ASN  13           HA       ASN  13  -6.088  -9.332  -8.126
  122   1HB   ASN  13           HB2      ASN  13  -5.536 -11.201  -6.873
  123   2HB   ASN  13           HB1      ASN  13  -5.420  -9.875  -5.703
  124   1HD2  ASN  13          HD22      ASN  13  -8.777 -10.846  -4.351
  125   2HD2  ASN  13          HD21      ASN  13  -8.140  -9.454  -5.083
  126    H    GLU  14           HN       GLU  14  -9.376  -9.156  -6.781
  127    HA   GLU  14           HA       GLU  14 -10.062 -11.534  -8.453
  128   1HB   GLU  14           HB2      GLU  14 -11.154 -11.352  -6.266
  129   2HB   GLU  14           HB1      GLU  14 -11.799  -9.773  -6.699
  130   1HG   GLU  14           HG2      GLU  14 -12.444 -11.749  -8.728
  131   2HG   GLU  14           HG1      GLU  14 -13.031 -12.249  -7.142
  132    H    ASN  15           HN       ASN  15 -10.373  -8.153  -8.326
  133    HA   ASN  15           HA       ASN  15 -10.814  -7.845 -11.172
  134   1HB   ASN  15           HB2      ASN  15 -13.176  -8.268 -10.180
  135   2HB   ASN  15           HB1      ASN  15 -12.964  -6.733  -9.336
  136   1HD2  ASN  15          HD22      ASN  15 -13.715  -6.747 -13.342
  137   2HD2  ASN  15          HD21      ASN  15 -13.449  -8.202 -12.509
  138    H    ASN  16           HN       ASN  16 -11.144  -6.598  -7.979
  139    HA   ASN  16           HA       ASN  16  -8.938  -4.772  -8.180
  140   1HB   ASN  16           HB2      ASN  16 -10.601  -3.296  -9.190
  141   2HB   ASN  16           HB1      ASN  16 -11.786  -3.723  -7.957
  142   1HD2  ASN  16          HD22      ASN  16  -8.711  -1.826  -6.121
  143   2HD2  ASN  16          HD21      ASN  16  -8.510  -3.351  -6.835
  144    H    GLU  17           HN       GLU  17  -9.668  -7.181  -6.697
  145    HA   GLU  17           HA       GLU  17 -10.637  -6.095  -4.106
  146   1HB   GLU  17           HB2      GLU  17  -9.944  -8.916  -4.931
  147   2HB   GLU  17           HB1      GLU  17 -10.554  -8.451  -3.340
  148   1HG   GLU  17           HG2      GLU  17 -12.542  -7.430  -4.470
  149   2HG   GLU  17           HG1      GLU  17 -11.977  -8.114  -5.989
  150    H    ILE  18           HN       ILE  18  -8.943  -4.839  -3.283
  151    HA   ILE  18           HA       ILE  18  -6.358  -6.239  -2.986
  152    HB   ILE  18           HB       ILE  18  -5.312  -4.254  -3.127
  153   1HG1  ILE  18          HG12      ILE  18  -6.408  -2.178  -1.856
  154   2HG1  ILE  18          HG11      ILE  18  -7.213  -3.467  -0.972
  155   1HG2  ILE  18          HG22      ILE  18  -7.795  -3.910  -4.417
  156   2HG2  ILE  18          HG21      ILE  18  -7.473  -2.411  -3.556
  157   3HG2  ILE  18          HG23      ILE  18  -6.297  -3.035  -4.710
  158   1HD1  ILE  18          HD12      ILE  18  -4.256  -3.608  -1.469
  159   2HD1  ILE  18          HD11      ILE  18  -4.866  -2.632  -0.141
  160   3HD1  ILE  18          HD13      ILE  18  -5.180  -4.360  -0.190
  161    H    PHE  19           HN       PHE  19  -5.338  -6.389  -0.995
  162    HA   PHE  19           HA       PHE  19  -7.129  -6.982   1.257
  163   1HB   PHE  19           HB2      PHE  19  -5.039  -8.293   0.555
  164   2HB   PHE  19           HB1      PHE  19  -4.096  -6.967   1.224
  165    HD1  PHE  19           HD1      PHE  19  -7.218  -8.707   2.388
  166    HD2  PHE  19           HD2      PHE  19  -3.147  -7.626   3.234
  167    HE1  PHE  19           HE1      PHE  19  -7.413  -9.718   4.647
  168    HE2  PHE  19           HE2      PHE  19  -3.348  -8.638   5.488
  169    HZ   PHE  19           HZ       PHE  19  -5.479  -9.679   6.195
  170    H    ILE  20           HN       ILE  20  -7.265  -4.241   0.629
  171    HA   ILE  20           HA       ILE  20  -5.441  -2.679   2.257
  172    HB   ILE  20           HB       ILE  20  -6.369  -1.684   0.223
  173   1HG1  ILE  20          HG12      ILE  20  -7.264   0.414   1.191
  174   2HG1  ILE  20          HG11      ILE  20  -7.468  -0.400   2.740
  175   1HG2  ILE  20          HG22      ILE  20  -8.539  -2.976   0.362
  176   2HG2  ILE  20          HG21      ILE  20  -9.059  -1.831   1.596
  177   3HG2  ILE  20          HG23      ILE  20  -8.726  -1.272  -0.043
  178   1HD1  ILE  20          HD11      ILE  20  -4.953  -0.939   2.589
  179   2HD1  ILE  20          HD13      ILE  20  -4.900   0.260   1.299
  180   3HD1  ILE  20          HD12      ILE  20  -5.394   0.733   2.925
  181    H    THR  21           HN       THR  21  -6.049  -1.379   4.014
  182    HA   THR  21           HA       THR  21  -7.756  -2.677   5.960
  183    HB   THR  21           HB       THR  21  -5.920  -1.388   6.785
  184    HG1  THR  21           HG1      THR  21  -8.372  -0.917   7.511
  185   1HG2  THR  21          HG23      THR  21  -6.648   0.376   4.640
  186   2HG2  THR  21          HG22      THR  21  -6.570   1.294   6.144
  187   3HG2  THR  21          HG21      THR  21  -5.172   0.365   5.604
  188    H    ARG  22           HN       ARG  22  -9.842  -2.797   5.042
  189    HA   ARG  22           HA       ARG  22 -11.164  -0.266   4.241
  190   1HB   ARG  22           HB2      ARG  22 -11.342  -2.099   2.656
  191   2HB   ARG  22           HB1      ARG  22 -11.955  -3.174   3.917
  192   1HG   ARG  22           HG2      ARG  22 -13.814  -2.321   2.560
  193   2HG   ARG  22           HG1      ARG  22 -13.920  -1.687   4.203
  194   1HD   ARG  22           HD2      ARG  22 -12.986   0.422   3.533
  195   2HD   ARG  22           HD1      ARG  22 -12.580  -0.200   1.936
  196    HE   ARG  22           HE       ARG  22 -15.339  -0.548   2.135
  197   1HH1  ARG  22          HH11      ARG  22 -13.855   2.108   3.510
  198   2HH1  ARG  22          HH12      ARG  22 -14.632   3.285   2.507
  199   1HH2  ARG  22          HH21      ARG  22 -16.034   0.948   0.373
  200   2HH2  ARG  22          HH22      ARG  22 -15.872   2.633   0.739
  201    H    ARG  23           HN       ARG  23 -11.413   0.510   6.458
  202    HA   ARG  23           HA       ARG  23 -12.361   0.505   8.644
  203   1HB   ARG  23           HB2      ARG  23 -15.054   0.002   7.728
  204   2HB   ARG  23           HB1      ARG  23 -14.332   1.512   8.275
  205   1HG   ARG  23           HG2      ARG  23 -13.504   2.001   6.055
  206   2HG   ARG  23           HG1      ARG  23 -13.996   0.410   5.471
  207   1HD   ARG  23           HD2      ARG  23 -16.145   2.012   6.742
  208   2HD   ARG  23           HD1      ARG  23 -15.533   2.646   5.215
  209    HE   ARG  23           HE       ARG  23 -15.937  -0.042   4.685
  210   1HH1  ARG  23          HH11      ARG  23 -18.102  -0.658   6.224
  211   2HH1  ARG  23          HH12      ARG  23 -19.479   0.122   5.523
  212   1HH2  ARG  23          HH21      ARG  23 -17.598   2.348   3.650
  213   2HH2  ARG  23          HH22      ARG  23 -19.195   1.821   4.066
  214    H    ALA  24           HN       ALA  24 -11.547  -1.506   9.512
  215    HA   ALA  24           HA       ALA  24 -12.471  -4.084   9.102
  216   1HB   ALA  24           HB1      ALA  24 -11.697  -2.714  11.686
  217   2HB   ALA  24           HB3      ALA  24 -12.039  -4.442  11.596
  218   3HB   ALA  24           HB2      ALA  24 -10.700  -3.757  10.673
  219    H    ALA  25           HN       ALA  25 -13.908  -1.749  11.413
  220    HA   ALA  25           HA       ALA  25 -16.194  -3.492  11.898
  221   1HB   ALA  25           HB1      ALA  25 -15.153  -1.662  13.461
  222   2HB   ALA  25           HB3      ALA  25 -16.161  -0.550  12.537
  223   3HB   ALA  25           HB2      ALA  25 -16.904  -1.871  13.437
  224    H    ASP  26           HN       ASP  26 -18.303  -1.586  11.810
  225    HA   ASP  26           HA       ASP  26 -18.884  -1.681   8.946
  226   1HB   ASP  26           HB2      ASP  26 -20.643  -0.177  10.839
  227   2HB   ASP  26           HB1      ASP  26 -21.086  -1.274   9.531
  228    H    ALA  27           HN       ALA  27 -17.824   0.706  11.269
  229    HA   ALA  27           HA       ALA  27 -17.307   2.985  11.018
  230   1HB   ALA  27           HB3      ALA  27 -16.167   1.521   8.877
  231   2HB   ALA  27           HB2      ALA  27 -16.822   2.999   8.175
  232   3HB   ALA  27           HB1      ALA  27 -15.653   3.091   9.492
  233    H    HIS  28           HN       HIS  28 -17.719   4.878   9.216
  234    HA   HIS  28           HA       HIS  28 -20.338   4.665   7.928
  235   1HB   HIS  28           HB2      HIS  28 -20.065   5.752  10.627
  236   2HB   HIS  28           HB1      HIS  28 -20.726   6.939   9.503
  237    HD1  HIS  28           HD1      HIS  28 -22.397   5.464  11.799
  238    HD2  HIS  28           HD2      HIS  28 -22.343   4.432   7.730
  239    HE1  HIS  28           HE1      HIS  28 -24.552   4.185  11.320
  240    H    MET  29           HN       MET  29 -17.458   5.388   7.387
  241    HA   MET  29           HA       MET  29 -17.994   8.087   6.240
  242   1HB   MET  29           HB2      MET  29 -15.787   7.154   7.928
  243   2HB   MET  29           HB1      MET  29 -15.253   7.975   6.460
  244   1HG   MET  29           HG2      MET  29 -16.098   9.991   7.120
  245   2HG   MET  29           HG1      MET  29 -17.504   9.260   7.896
  246   1HE   MET  29           HE3      MET  29 -13.930   8.053   8.299
  247   2HE   MET  29           HE2      MET  29 -13.609   9.780   8.160
  248   3HE   MET  29           HE1      MET  29 -13.285   8.948   9.681
  249    H    ALA  30           HN       ALA  30 -16.171   5.062   5.875
  250    HA   ALA  30           HA       ALA  30 -15.724   3.893   3.874
  251   1HB   ALA  30           HB2      ALA  30 -17.822   5.512   3.133
  252   2HB   ALA  30           HB1      ALA  30 -16.550   6.012   2.018
  253   3HB   ALA  30           HB3      ALA  30 -17.045   4.320   2.090
  254    H    ASN  31           HN       ASN  31 -14.404   6.718   4.942
  255    HA   ASN  31           HA       ASN  31 -12.512   7.019   2.676
  256   1HB   ASN  31           HB2      ASN  31 -11.773   9.019   3.722
  257   2HB   ASN  31           HB1      ASN  31 -13.514   8.998   4.009
  258   1HD2  ASN  31          HD22      ASN  31 -11.643   9.648   7.246
  259   2HD2  ASN  31          HD21      ASN  31 -11.576  10.382   5.716
  260    H    LYS  32           HN       LYS  32 -12.825   4.828   4.959
  261    HA   LYS  32           HA       LYS  32 -10.196   4.865   6.221
  262   1HB   LYS  32           HB2      LYS  32 -12.625   3.691   6.796
  263   2HB   LYS  32           HB1      LYS  32 -11.672   2.330   6.213
  264   1HG   LYS  32           HG2      LYS  32 -10.895   4.237   8.429
  265   2HG   LYS  32           HG1      LYS  32 -11.380   2.551   8.620
  266   1HD   LYS  32           HD2      LYS  32  -9.434   1.868   7.225
  267   2HD   LYS  32           HD1      LYS  32  -8.924   3.556   7.150
  268   1HE   LYS  32           HE2      LYS  32  -9.472   2.552   9.874
  269   2HE   LYS  32           HE1      LYS  32  -8.097   1.794   9.070
  270   1HZ   LYS  32           HZ2      LYS  32  -8.499   4.728   9.243
  271   2HZ   LYS  32           HZ1      LYS  32  -7.540   3.839  10.328
  272   3HZ   LYS  32           HZ3      LYS  32  -7.117   3.912   8.688
  273    H    LEU  33           HN       LEU  33 -10.088   4.823   3.263
  274    HA   LEU  33           HA       LEU  33  -9.016   2.055   2.874
  275   1HB   LEU  33           HB2      LEU  33 -10.247   4.059   1.001
  276   2HB   LEU  33           HB1      LEU  33  -9.166   2.812   0.369
  277    HG   LEU  33           HG       LEU  33 -11.585   2.277   2.120
  278   1HD1  LEU  33          HD11      LEU  33 -11.674   3.042  -0.490
  279   2HD1  LEU  33          HD13      LEU  33 -11.479   1.300  -0.672
  280   3HD1  LEU  33          HD12      LEU  33 -12.842   1.943   0.245
  281   1HD2  LEU  33          HD21      LEU  33  -9.371   0.633   0.996
  282   2HD2  LEU  33          HD23      LEU  33 -10.291   0.415   2.485
  283   3HD2  LEU  33          HD22      LEU  33 -10.987  -0.070   0.938
  284    H    GLU  34           HN       GLU  34  -6.975   2.518   3.828
  285    HA   GLU  34           HA       GLU  34  -5.359   4.684   2.629
  286   1HB   GLU  34           HB2      GLU  34  -5.496   3.916   5.171
  287   2HB   GLU  34           HB1      GLU  34  -4.261   2.769   4.652
  288   1HG   GLU  34           HG2      GLU  34  -3.313   5.040   3.502
  289   2HG   GLU  34           HG1      GLU  34  -4.107   5.717   4.924
  290    H    PHE  35           HN       PHE  35  -2.961   2.788   3.326
  291    HA   PHE  35           HA       PHE  35  -3.172   0.892   1.085
  292   1HB   PHE  35           HB2      PHE  35  -1.184   3.172   1.165
  293   2HB   PHE  35           HB1      PHE  35  -1.023   1.774   0.101
  294    HD1  PHE  35           HD1      PHE  35  -2.820   1.280  -1.578
  295    HD2  PHE  35           HD2      PHE  35  -2.723   4.937   0.664
  296    HE1  PHE  35           HE1      PHE  35  -4.385   2.311  -3.201
  297    HE2  PHE  35           HE2      PHE  35  -4.285   5.974  -0.959
  298    HZ   PHE  35           HZ       PHE  35  -5.117   4.659  -2.892
  299    HA   PRO  36           HA       PRO  36  -0.945  -1.524   4.031
  300   1HB   PRO  36           HB2      PRO  36   0.042  -3.261   1.996
  301   2HB   PRO  36           HB1      PRO  36  -1.382  -3.504   3.016
  302   1HG   PRO  36           HG2      PRO  36  -1.264  -2.694   0.188
  303   2HG   PRO  36           HG1      PRO  36  -2.637  -3.321   1.103
  304   1HD   PRO  36           HD2      PRO  36  -2.323  -0.667   0.291
  305   2HD   PRO  36           HD1      PRO  36  -3.424  -1.222   1.580
  306    H    GLY  37           HN       GLY  37   0.749  -0.052   4.569
  307   1HA   GLY  37           HA2      GLY  37   2.802   0.866   2.882
  308   2HA   GLY  37           HA1      GLY  37   2.956   0.717   4.631
  309    H    GLY  38           HN       GLY  38   5.089  -0.032   4.585
  310   1HA   GLY  38           HA2      GLY  38   5.691  -2.704   4.662
  311   2HA   GLY  38           HA1      GLY  38   5.848  -2.333   2.946
  312    H    LYS  39           HN       LYS  39   6.823   0.311   3.187
  313    HA   LYS  39           HA       LYS  39   8.763   1.555   3.604
  314   1HB   LYS  39           HB2      LYS  39   8.569   0.944   5.959
  315   2HB   LYS  39           HB1      LYS  39   9.341  -0.607   5.647
  316   1HG   LYS  39           HG2      LYS  39  11.107   0.748   6.438
  317   2HG   LYS  39           HG1      LYS  39  11.308   0.766   4.684
  318   1HD   LYS  39           HD2      LYS  39   9.725   2.879   4.844
  319   2HD   LYS  39           HD1      LYS  39  10.318   2.935   6.505
  320   1HE   LYS  39           HE2      LYS  39  11.925   4.220   5.408
  321   2HE   LYS  39           HE1      LYS  39  12.672   2.625   5.364
  322   1HZ   LYS  39           HZ3      LYS  39  11.594   2.326   3.155
  323   2HZ   LYS  39           HZ2      LYS  39  11.150   3.964   3.202
  324   3HZ   LYS  39           HZ1      LYS  39  12.792   3.527   3.192
  325    H    ILE  40           HN       ILE  40   9.647   1.188   1.558
  326    HA   ILE  40           HA       ILE  40  11.168  -1.272   1.066
  327    HB   ILE  40           HB       ILE  40  10.334  -0.608  -0.939
  328   1HG1  ILE  40          HG12      ILE  40  12.952  -0.491  -0.905
  329   2HG1  ILE  40          HG11      ILE  40  12.085   0.058  -2.335
  330   1HG2  ILE  40          HG21      ILE  40  10.635   2.214   0.072
  331   2HG2  ILE  40          HG23      ILE  40  10.270   1.880  -1.620
  332   3HG2  ILE  40          HG22      ILE  40   9.156   1.356  -0.359
  333   1HD1  ILE  40          HD11      ILE  40  12.416   2.164  -0.323
  334   2HD1  ILE  40          HD13      ILE  40  13.954   1.529  -0.906
  335   3HD1  ILE  40          HD12      ILE  40  12.784   2.195  -2.045
  336    H    GLU  41           HN       GLU  41  13.298  -1.521   1.384
  337    HA   GLU  41           HA       GLU  41  15.179   0.651   1.383
  338   1HB   GLU  41           HB2      GLU  41  15.647   0.877   3.710
  339   2HB   GLU  41           HB1      GLU  41  13.895   0.999   3.555
  340   1HG   GLU  41           HG2      GLU  41  14.107  -1.668   3.866
  341   2HG   GLU  41           HG1      GLU  41  15.540  -1.164   4.765
  342    H    MET  42           HN       MET  42  14.375  -2.654   2.289
  343    HA   MET  42           HA       MET  42  16.982  -3.640   2.809
  344   1HB   MET  42           HB2      MET  42  14.657  -5.069   1.485
  345   2HB   MET  42           HB1      MET  42  16.061  -5.850   2.212
  346   1HG   MET  42           HG2      MET  42  14.610  -3.905   3.926
  347   2HG   MET  42           HG1      MET  42  13.767  -5.414   3.571
  348   1HE   MET  42           HE2      MET  42  14.587  -4.200   6.194
  349   2HE   MET  42           HE1      MET  42  15.812  -5.059   7.125
  350   3HE   MET  42           HE3      MET  42  16.286  -3.768   6.011
  351    H    GLY  43           HN       GLY  43  18.279  -5.061   1.328
  352   1HA   GLY  43           HA2      GLY  43  19.619  -5.157  -0.603
  353   2HA   GLY  43           HA1      GLY  43  18.069  -5.221  -1.449
  354    H    GLU  44           HN       GLU  44  17.916  -3.700  -2.961
  355    HA   GLU  44           HA       GLU  44  18.374  -0.897  -2.392
  356   1HB   GLU  44           HB2      GLU  44  20.143  -0.631  -4.189
  357   2HB   GLU  44           HB1      GLU  44  20.704  -1.458  -2.734
  358   1HG   GLU  44           HG2      GLU  44  20.632  -3.581  -3.777
  359   2HG   GLU  44           HG1      GLU  44  19.617  -2.992  -5.093
  360    H    THR  45           HN       THR  45  16.421  -2.899  -3.532
  361    HA   THR  45           HA       THR  45  15.684  -1.304  -5.919
  362    HB   THR  45           HB       THR  45  15.810  -4.337  -5.917
  363    HG1  THR  45           HG1      THR  45  17.480  -3.679  -7.607
  364   1HG2  THR  45          HG22      THR  45  14.095  -3.347  -7.404
  365   2HG2  THR  45          HG21      THR  45  15.327  -2.331  -8.141
  366   3HG2  THR  45          HG23      THR  45  15.398  -4.081  -8.335
  367    HA   PRO  46           HA       PRO  46  11.725  -1.513  -3.998
  368   1HB   PRO  46           HB2      PRO  46  10.490  -1.874  -6.627
  369   2HB   PRO  46           HB1      PRO  46  10.371  -0.502  -5.515
  370   1HG   PRO  46           HG2      PRO  46  11.854  -0.570  -7.934
  371   2HG   PRO  46           HG1      PRO  46  11.946   0.678  -6.681
  372   1HD   PRO  46           HD2      PRO  46  13.933  -1.325  -7.364
  373   2HD   PRO  46           HD1      PRO  46  14.059  -0.011  -6.179
  374    H    GLU  47           HN       GLU  47  13.019  -3.967  -6.083
  375    HA   GLU  47           HA       GLU  47  10.869  -5.878  -5.682
  376   1HB   GLU  47           HB2      GLU  47  13.376  -5.776  -7.141
  377   2HB   GLU  47           HB1      GLU  47  13.243  -7.289  -6.244
  378   1HG   GLU  47           HG2      GLU  47  11.479  -8.031  -7.489
  379   2HG   GLU  47           HG1      GLU  47  10.785  -6.416  -7.653
  380    H    GLN  48           HN       GLN  48  14.244  -6.543  -4.732
  381    HA   GLN  48           HA       GLN  48  13.645  -8.206  -2.591
  382   1HB   GLN  48           HB2      GLN  48  15.912  -6.221  -2.881
  383   2HB   GLN  48           HB1      GLN  48  15.790  -7.340  -1.507
  384   1HG   GLN  48           HG2      GLN  48  16.008  -9.244  -2.888
  385   2HG   GLN  48           HG1      GLN  48  15.628  -8.338  -4.353
  386   1HE2  GLN  48          HE22      GLN  48  19.398  -7.943  -2.738
  387   2HE2  GLN  48          HE21      GLN  48  18.104  -8.359  -1.721
  388    H    ALA  49           HN       ALA  49  13.672  -4.695  -2.600
  389    HA   ALA  49           HA       ALA  49  13.390  -4.337   0.204
  390   1HB   ALA  49           HB2      ALA  49  12.924  -2.709  -2.226
  391   2HB   ALA  49           HB1      ALA  49  12.053  -2.205  -0.778
  392   3HB   ALA  49           HB3      ALA  49  13.812  -2.312  -0.755
  393    H    VAL  50           HN       VAL  50  10.787  -3.988  -2.231
  394    HA   VAL  50           HA       VAL  50   8.700  -4.111  -0.277
  395    HB   VAL  50           HB       VAL  50   8.689  -3.233  -2.723
  396   1HG1  VAL  50          HG13      VAL  50   9.287  -5.386  -3.784
  397   2HG1  VAL  50          HG12      VAL  50   7.818  -6.112  -3.136
  398   3HG1  VAL  50          HG11      VAL  50   7.712  -4.825  -4.336
  399   1HG2  VAL  50          HG21      VAL  50   6.636  -4.259  -0.963
  400   2HG2  VAL  50          HG23      VAL  50   6.612  -2.825  -1.989
  401   3HG2  VAL  50          HG22      VAL  50   6.140  -4.390  -2.651
  402    H    VAL  51           HN       VAL  51   9.871  -6.565  -2.505
  403    HA   VAL  51           HA       VAL  51   8.163  -8.681  -1.835
  404    HB   VAL  51           HB       VAL  51   9.984  -8.458  -3.678
  405   1HG1  VAL  51          HG12      VAL  51  11.862  -8.117  -2.126
  406   2HG1  VAL  51          HG11      VAL  51  11.582  -9.716  -1.436
  407   3HG1  VAL  51          HG13      VAL  51  12.107  -9.558  -3.111
  408   1HG2  VAL  51          HG22      VAL  51   8.485 -10.485  -3.064
  409   2HG2  VAL  51          HG21      VAL  51   9.920 -10.774  -4.047
  410   3HG2  VAL  51          HG23      VAL  51   9.944 -11.143  -2.324
  411    H    ARG  52           HN       ARG  52  11.305  -7.822  -0.391
  412    HA   ARG  52           HA       ARG  52  11.215  -9.948   1.572
  413   1HB   ARG  52           HB2      ARG  52  12.872  -7.404   1.454
  414   2HB   ARG  52           HB1      ARG  52  13.138  -8.710   2.597
  415   1HG   ARG  52           HG2      ARG  52  12.957  -9.816  -0.045
  416   2HG   ARG  52           HG1      ARG  52  14.144  -8.513  -0.045
  417   1HD   ARG  52           HD2      ARG  52  15.214  -9.545   1.966
  418   2HD   ARG  52           HD1      ARG  52  14.095 -10.903   1.816
  419    HE   ARG  52           HE       ARG  52  15.248 -10.756  -0.686
  420   1HH1  ARG  52          HH11      ARG  52  15.804 -12.432   2.053
  421   2HH1  ARG  52          HH12      ARG  52  17.516 -12.607   1.865
  422   1HH2  ARG  52          HH21      ARG  52  17.734 -10.310  -0.724
  423   2HH2  ARG  52          HH22      ARG  52  18.611 -11.405   0.292
  424    H    GLU  53           HN       GLU  53  10.052  -6.687   1.316
  425    HA   GLU  53           HA       GLU  53   9.405  -6.391   4.153
  426   1HB   GLU  53           HB2      GLU  53   8.488  -4.874   1.698
  427   2HB   GLU  53           HB1      GLU  53   8.089  -4.424   3.357
  428   1HG   GLU  53           HG2      GLU  53  10.958  -4.877   2.669
  429   2HG   GLU  53           HG1      GLU  53  10.196  -3.384   2.121
  430    H    LEU  54           HN       LEU  54   8.187  -7.992   1.455
  431    HA   LEU  54           HA       LEU  54   5.373  -7.988   2.182
  432   1HB   LEU  54           HB2      LEU  54   7.081  -8.894  -0.003
  433   2HB   LEU  54           HB1      LEU  54   5.867 -10.101   0.411
  434    HG   LEU  54           HG       LEU  54   4.933  -8.605  -1.265
  435   1HD1  LEU  54          HD11      LEU  54   3.824  -9.027   1.299
  436   2HD1  LEU  54          HD13      LEU  54   3.485  -7.342   0.900
  437   3HD1  LEU  54          HD12      LEU  54   2.956  -8.628  -0.183
  438   1HD2  LEU  54          HD23      LEU  54   5.952  -6.485   0.632
  439   2HD2  LEU  54          HD22      LEU  54   6.259  -6.650  -1.097
  440   3HD2  LEU  54          HD21      LEU  54   4.672  -6.130  -0.527
  441    H    GLN  55           HN       GLN  55   7.862 -10.506   1.996
  442    HA   GLN  55           HA       GLN  55   6.388 -12.456   3.491
  443   1HB   GLN  55           HB2      GLN  55   8.979 -13.176   3.991
  444   2HB   GLN  55           HB1      GLN  55   8.111 -13.593   2.517
  445   1HG   GLN  55           HG2      GLN  55   9.206 -11.994   1.252
  446   2HG   GLN  55           HG1      GLN  55   9.504 -10.940   2.640
  447   1HE2  GLN  55          HE22      GLN  55  11.969 -14.227   2.274
  448   2HE2  GLN  55          HE21      GLN  55  10.325 -14.386   1.880
  449    H    GLU  56           HN       GLU  56   9.014 -10.238   4.539
  450    HA   GLU  56           HA       GLU  56   9.085 -11.009   7.241
  451   1HB   GLU  56           HB2      GLU  56   9.958  -8.755   7.720
  452   2HB   GLU  56           HB1      GLU  56  10.684  -9.407   6.253
  453   1HG   GLU  56           HG2      GLU  56  10.126  -7.286   5.546
  454   2HG   GLU  56           HG1      GLU  56   8.671  -8.163   5.076
  455    H    GLU  57           HN       GLU  57   6.573  -9.373   5.523
  456    HA   GLU  57           HA       GLU  57   5.352  -8.203   7.912
  457   1HB   GLU  57           HB2      GLU  57   4.824  -8.221   5.018
  458   2HB   GLU  57           HB1      GLU  57   3.363  -8.276   6.004
  459   1HG   GLU  57           HG2      GLU  57   3.669  -6.170   6.808
  460   2HG   GLU  57           HG1      GLU  57   5.414  -6.372   6.934
  461    H    VAL  58           HN       VAL  58   3.409 -10.096   5.711
  462    HA   VAL  58           HA       VAL  58   2.192 -11.525   7.935
  463    HB   VAL  58           HB       VAL  58   1.780 -11.784   4.947
  464   1HG1  VAL  58          HG11      VAL  58   0.453 -12.921   7.350
  465   2HG1  VAL  58          HG13      VAL  58  -0.596 -12.356   6.050
  466   3HG1  VAL  58          HG12      VAL  58   0.616 -13.597   5.729
  467   1HG2  VAL  58          HG21      VAL  58   0.759  -9.893   7.043
  468   2HG2  VAL  58          HG23      VAL  58   1.269  -9.554   5.389
  469   3HG2  VAL  58          HG22      VAL  58  -0.286 -10.329   5.690
  470    H    GLY  59           HN       GLY  59   3.188 -13.018   4.844
  471   1HA   GLY  59           HA2      GLY  59   5.328 -14.516   5.254
  472   2HA   GLY  59           HA1      GLY  59   4.285 -15.265   6.456
  473    H    ILE  60           HN       ILE  60   2.948 -14.134   3.393
  474    HA   ILE  60           HA       ILE  60   2.130 -16.899   2.800
  475    HB   ILE  60           HB       ILE  60   1.006 -15.836   0.808
  476   1HG1  ILE  60          HG12      ILE  60   1.198 -13.117   1.653
  477   2HG1  ILE  60          HG11      ILE  60   2.840 -13.738   1.466
  478   1HG2  ILE  60          HG21      ILE  60   0.531 -15.207   3.647
  479   2HG2  ILE  60          HG23      ILE  60  -0.255 -14.106   2.518
  480   3HG2  ILE  60          HG22      ILE  60  -0.581 -15.834   2.429
  481   1HD1  ILE  60          HD11      ILE  60   1.277 -14.702  -0.722
  482   2HD1  ILE  60          HD13      ILE  60   0.999 -12.967  -0.579
  483   3HD1  ILE  60          HD12      ILE  60   2.640 -13.584  -0.768
  484    H    THR  61           HN       THR  61   2.420 -16.318  -0.211
  485    HA   THR  61           HA       THR  61   5.363 -16.334  -0.430
  486    HB   THR  61           HB       THR  61   3.602 -18.700  -0.947
  487    HG1  THR  61           HG1      THR  61   4.878 -19.390   0.534
  488   1HG2  THR  61          HG21      THR  61   4.653 -18.120  -3.149
  489   2HG2  THR  61          HG23      THR  61   6.234 -18.209  -2.372
  490   3HG2  THR  61          HG22      THR  61   5.226 -19.652  -2.491
  491    HA   PRO  62           HA       PRO  62   3.731 -15.824  -4.874
  492   1HB   PRO  62           HB2      PRO  62   0.955 -16.079  -5.157
  493   2HB   PRO  62           HB1      PRO  62   2.164 -17.269  -5.666
  494   1HG   PRO  62           HG2      PRO  62   0.330 -17.379  -3.368
  495   2HG   PRO  62           HG1      PRO  62   1.255 -18.688  -4.116
  496   1HD   PRO  62           HD2      PRO  62   1.854 -17.450  -1.634
  497   2HD   PRO  62           HD1      PRO  62   2.913 -18.524  -2.569
  498    H    GLN  63           HN       GLN  63   1.795 -14.349  -5.870
  499    HA   GLN  63           HA       GLN  63   0.184 -12.511  -5.039
  500   1HB   GLN  63           HB2      GLN  63   1.350 -10.679  -3.834
  501   2HB   GLN  63           HB1      GLN  63   1.333 -12.153  -2.875
  502   1HG   GLN  63           HG2      GLN  63   3.572 -12.244  -2.855
  503   2HG   GLN  63           HG1      GLN  63   3.645 -12.114  -4.610
  504   1HE2  GLN  63          HE22      GLN  63   5.336  -9.056  -3.572
  505   2HE2  GLN  63          HE21      GLN  63   5.651 -10.711  -3.775
  506    H    HIS  64           HN       HIS  64   3.293 -13.105  -6.385
  507    HA   HIS  64           HA       HIS  64   4.409 -12.119  -8.203
  508   1HB   HIS  64           HB2      HIS  64   1.638 -12.429  -8.764
  509   2HB   HIS  64           HB1      HIS  64   2.143 -10.882  -9.462
  510    HD1  HIS  64           HD1      HIS  64   4.297 -14.011  -9.114
  511    HD2  HIS  64           HD2      HIS  64   2.504 -11.695 -12.122
  512    HE1  HIS  64           HE1      HIS  64   5.160 -14.883 -11.348
  513    H    PHE  65           HN       PHE  65   3.901  -9.640  -9.511
  514    HA   PHE  65           HA       PHE  65   3.174  -7.594  -7.662
  515   1HB   PHE  65           HB2      PHE  65   5.780  -6.863  -7.490
  516   2HB   PHE  65           HB1      PHE  65   4.947  -7.807  -6.250
  517    HD1  PHE  65           HD1      PHE  65   6.153  -8.819  -9.663
  518    HD2  PHE  65           HD2      PHE  65   6.518  -9.328  -5.412
  519    HE1  PHE  65           HE1      PHE  65   7.712 -10.711 -10.024
  520    HE2  PHE  65           HE2      PHE  65   8.080 -11.220  -5.776
  521    HZ   PHE  65           HZ       PHE  65   8.677 -11.910  -8.080
  522    H    SER  66           HN       SER  66   3.236  -5.576  -8.568
  523    HA   SER  66           HA       SER  66   4.683  -5.162 -11.119
  524   1HB   SER  66           HB2      SER  66   1.860  -5.696 -10.951
  525   2HB   SER  66           HB1      SER  66   2.093  -4.024 -11.453
  526    HG   SER  66           HG       SER  66   2.113  -5.463 -13.228
  527    H    LEU  67           HN       LEU  67   5.218  -2.942 -11.387
  528    HA   LEU  67           HA       LEU  67   5.065  -1.354  -8.969
  529   1HB   LEU  67           HB2      LEU  67   6.938  -1.358 -10.747
  530   2HB   LEU  67           HB1      LEU  67   5.883  -0.312 -11.685
  531    HG   LEU  67           HG       LEU  67   7.718   0.526  -9.779
  532   1HD1  LEU  67          HD11      LEU  67   6.558   1.754 -11.683
  533   2HD1  LEU  67          HD13      LEU  67   5.241   2.066 -10.554
  534   3HD1  LEU  67          HD12      LEU  67   6.852   2.699 -10.223
  535   1HD2  LEU  67          HD21      LEU  67   4.929   0.597  -8.579
  536   2HD2  LEU  67          HD23      LEU  67   6.354  -0.183  -7.893
  537   3HD2  LEU  67          HD22      LEU  67   6.278   1.576  -8.002
  538    H    PHE  68           HN       PHE  68   3.984  -0.513 -12.257
  539    HA   PHE  68           HA       PHE  68   1.989   0.457 -12.996
  540   1HB   PHE  68           HB2      PHE  68   0.275  -0.259 -11.714
  541   2HB   PHE  68           HB1      PHE  68   1.285  -0.371 -10.292
  542    HD1  PHE  68           HD2      PHE  68   1.567   1.586  -8.785
  543    HD2  PHE  68           HD1      PHE  68  -1.087   1.691 -12.161
  544    HE1  PHE  68           HE2      PHE  68   0.476   3.615  -7.865
  545    HE2  PHE  68           HE1      PHE  68  -2.176   3.719 -11.241
  546    HZ   PHE  68           HZ       PHE  68  -1.394   4.682  -9.093
  547    H    GLU  69           HN       GLU  69   3.259   1.866  -9.961
  548    HA   GLU  69           HA       GLU  69   4.430   4.126 -11.007
  549   1HB   GLU  69           HB2      GLU  69   1.522   4.281 -11.225
  550   2HB   GLU  69           HB1      GLU  69   2.189   5.624 -10.296
  551   1HG   GLU  69           HG2      GLU  69   3.943   5.281 -12.468
  552   2HG   GLU  69           HG1      GLU  69   2.322   5.145 -13.150
  553    H    LYS  70           HN       LYS  70   4.197   6.101  -9.335
  554    HA   LYS  70           HA       LYS  70   3.545   5.255  -6.613
  555   1HB   LYS  70           HB2      LYS  70   5.738   5.176  -5.724
  556   2HB   LYS  70           HB1      LYS  70   5.851   4.251  -7.218
  557   1HG   LYS  70           HG2      LYS  70   6.418   6.679  -8.209
  558   2HG   LYS  70           HG1      LYS  70   6.985   6.927  -6.556
  559   1HD   LYS  70           HD2      LYS  70   8.872   6.082  -7.732
  560   2HD   LYS  70           HD1      LYS  70   8.243   4.706  -6.824
  561   1HE   LYS  70           HE2      LYS  70   7.764   3.568  -8.713
  562   2HE   LYS  70           HE1      LYS  70   6.950   4.964  -9.422
  563   1HZ   LYS  70           HZ1      LYS  70   9.693   5.493  -9.350
  564   2HZ   LYS  70           HZ3      LYS  70   9.488   3.948 -10.023
  565   3HZ   LYS  70           HZ2      LYS  70   8.698   5.285 -10.711
  566    H    LEU  71           HN       LEU  71   3.317   7.084  -5.263
  567    HA   LEU  71           HA       LEU  71   3.612   9.677  -6.676
  568   1HB   LEU  71           HB2      LEU  71   2.287  10.540  -4.664
  569   2HB   LEU  71           HB1      LEU  71   1.436   9.443  -5.747
  570    HG   LEU  71           HG       LEU  71   1.843   7.569  -4.228
  571   1HD1  LEU  71          HD12      LEU  71   3.452   9.625  -2.705
  572   2HD1  LEU  71          HD11      LEU  71   2.814   8.181  -1.917
  573   3HD1  LEU  71          HD13      LEU  71   3.958   8.026  -3.251
  574   1HD2  LEU  71          HD22      LEU  71   0.330   9.935  -3.589
  575   2HD2  LEU  71          HD21      LEU  71  -0.068   8.252  -3.243
  576   3HD2  LEU  71          HD23      LEU  71   0.896   9.184  -2.098
  577    H    GLU  72           HN       GLU  72   3.927  11.454  -4.693
  578    HA   GLU  72           HA       GLU  72   6.023  10.681  -2.827
  579   1HB   GLU  72           HB2      GLU  72   6.989  11.195  -5.307
  580   2HB   GLU  72           HB1      GLU  72   6.952  12.834  -4.656
  581   1HG   GLU  72           HG2      GLU  72   8.215  12.035  -2.659
  582   2HG   GLU  72           HG1      GLU  72   8.327  10.434  -3.395
  583    H    TYR  73           HN       TYR  73   4.724  11.624  -1.246
  584    HA   TYR  73           HA       TYR  73   3.653  14.320  -1.595
  585   1HB   TYR  73           HB2      TYR  73   3.066  12.144   0.074
  586   2HB   TYR  73           HB1      TYR  73   3.746  13.359   1.156
  587    HD1  TYR  73           HD2      TYR  73   1.453  13.287  -1.822
  588    HD2  TYR  73           HD1      TYR  73   2.206  14.809   2.125
  589    HE1  TYR  73           HE2      TYR  73  -0.686  14.540  -1.896
  590    HE2  TYR  73           HE1      TYR  73   0.067  16.062   2.049
  591    HH   TYR  73           HH       TYR  73  -2.182  15.780   0.765
  592    H    GLU  74           HN       GLU  74   4.865  16.122  -1.238
  593    HA   GLU  74           HA       GLU  74   7.450  15.748   0.134
  594   1HB   GLU  74           HB2      GLU  74   6.816  17.122  -2.153
  595   2HB   GLU  74           HB1      GLU  74   6.818  18.416  -0.954
  596   1HG   GLU  74           HG2      GLU  74   9.060  17.394  -0.153
  597   2HG   GLU  74           HG1      GLU  74   9.064  16.547  -1.701
  598    H    PHE  75           HN       PHE  75   7.992  16.895   1.986
  599    HA   PHE  75           HA       PHE  75   5.751  18.416   3.247
  600   1HB   PHE  75           HB2      PHE  75   7.606  16.320   4.272
  601   2HB   PHE  75           HB1      PHE  75   7.223  17.634   5.379
  602    HD1  PHE  75           HD2      PHE  75   4.569  18.323   5.239
  603    HD2  PHE  75           HD1      PHE  75   6.238  14.453   4.404
  604    HE1  PHE  75           HE2      PHE  75   2.372  17.274   5.704
  605    HE2  PHE  75           HE1      PHE  75   4.039  13.405   4.868
  606    HZ   PHE  75           HZ       PHE  75   2.106  14.815   5.519
  607    HA   PRO  76           HA       PRO  76   8.247  21.968   3.870
  608   1HB   PRO  76           HB2      PRO  76   8.548  21.659   6.762
  609   2HB   PRO  76           HB1      PRO  76   7.634  22.884   5.866
  610   1HG   PRO  76           HG2      PRO  76   6.571  20.652   7.310
  611   2HG   PRO  76           HG1      PRO  76   5.672  21.798   6.305
  612   1HD   PRO  76           HD2      PRO  76   6.207  19.038   5.750
  613   2HD   PRO  76           HD1      PRO  76   5.379  20.205   4.703
  614    H    ASP  77           HN       ASP  77   9.170  19.041   5.568
  615    HA   ASP  77           HA       ASP  77  11.912  19.213   4.590
  616   1HB   ASP  77           HB2      ASP  77  11.725  18.959   7.573
  617   2HB   ASP  77           HB1      ASP  77  13.060  19.553   6.586
  618    H    ARG  78           HN       ARG  78   9.775  17.437   4.195
  619    HA   ARG  78           HA       ARG  78  10.959  14.956   5.307
  620   1HB   ARG  78           HB2      ARG  78   8.538  16.130   6.251
  621   2HB   ARG  78           HB1      ARG  78   8.101  14.693   5.319
  622   1HG   ARG  78           HG2      ARG  78   8.482  13.959   7.571
  623   2HG   ARG  78           HG1      ARG  78   9.874  13.435   6.627
  624   1HD   ARG  78           HD2      ARG  78  11.302  14.781   7.757
  625   2HD   ARG  78           HD1      ARG  78  10.181  16.140   7.730
  626    HE   ARG  78           HE       ARG  78  10.656  14.738  10.035
  627   1HH1  ARG  78          HH11      ARG  78   8.208  16.581   9.275
  628   2HH1  ARG  78          HH12      ARG  78   6.923  15.614   9.916
  629   1HH2  ARG  78          HH21      ARG  78   8.884  12.774  10.279
  630   2HH2  ARG  78          HH22      ARG  78   7.306  13.457  10.485
  631    H    HIS  79           HN       HIS  79  11.634  14.341   3.202
  632    HA   HIS  79           HA       HIS  79   9.708  14.380   0.979
  633   1HB   HIS  79           HB2      HIS  79  12.582  13.574   1.316
  634   2HB   HIS  79           HB1      HIS  79  11.686  12.984  -0.081
  635    HD1  HIS  79           HD1      HIS  79  13.466  15.928   1.225
  636    HD2  HIS  79           HD2      HIS  79  10.562  15.188  -1.714
  637    HE1  HIS  79           HE1      HIS  79  13.382  17.982  -0.282
  638    H    ILE  80           HN       ILE  80   8.129  12.830   0.969
  639    HA   ILE  80           HA       ILE  80   8.836  10.125   2.031
  640    HB   ILE  80           HB       ILE  80   6.206  11.614   1.861
  641   1HG1  ILE  80          HG12      ILE  80   6.159  11.279   4.242
  642   2HG1  ILE  80          HG11      ILE  80   7.502  10.140   4.169
  643   1HG2  ILE  80          HG22      ILE  80   5.833   9.315   1.044
  644   2HG2  ILE  80          HG21      ILE  80   6.622   8.675   2.486
  645   3HG2  ILE  80          HG23      ILE  80   5.105   9.556   2.625
  646   1HD1  ILE  80          HD12      ILE  80   7.861  12.951   3.169
  647   2HD1  ILE  80          HD11      ILE  80   7.975  12.606   4.893
  648   3HD1  ILE  80          HD13      ILE  80   9.080  11.824   3.763
  649    H    THR  81           HN       THR  81   7.703   8.316   0.938
  650    HA   THR  81           HA       THR  81   6.853   8.735  -1.843
  651    HB   THR  81           HB       THR  81   9.028   6.719  -1.465
  652    HG1  THR  81           HG1      THR  81   9.790   9.260  -2.276
  653   1HG2  THR  81          HG21      THR  81   7.533   7.254  -3.569
  654   2HG2  THR  81          HG23      THR  81   8.672   8.583  -3.789
  655   3HG2  THR  81          HG22      THR  81   9.253   6.919  -3.774
  656    H    LEU  82           HN       LEU  82   5.664   6.883  -2.607
  657    HA   LEU  82           HA       LEU  82   5.409   4.647  -0.651
  658   1HB   LEU  82           HB2      LEU  82   3.508   6.646  -0.868
  659   2HB   LEU  82           HB1      LEU  82   2.870   5.381  -1.920
  660    HG   LEU  82           HG       LEU  82   3.690   3.903   0.218
  661   1HD1  LEU  82          HD13      LEU  82   3.507   6.662   1.102
  662   2HD1  LEU  82          HD12      LEU  82   2.347   5.643   1.956
  663   3HD1  LEU  82          HD11      LEU  82   4.064   5.242   1.987
  664   1HD2  LEU  82          HD23      LEU  82   1.353   4.381  -1.066
  665   2HD2  LEU  82          HD22      LEU  82   1.451   3.433   0.417
  666   3HD2  LEU  82          HD21      LEU  82   0.998   5.136   0.487
  667    H    TRP  83           HN       TRP  83   6.773   3.612  -2.365
  668    HA   TRP  83           HA       TRP  83   6.101   3.264  -5.052
  669   1HB   TRP  83           HB2      TRP  83   7.164   1.209  -3.095
  670   2HB   TRP  83           HB1      TRP  83   7.094   0.953  -4.839
  671    HD1  TRP  83           HD1      TRP  83   8.780   3.159  -2.202
  672    HE1  TRP  83           HE1      TRP  83  10.932   4.197  -3.222
  673    HE3  TRP  83           HE3      TRP  83   8.264   1.586  -7.032
  674    HZ2  TRP  83           HZ2      TRP  83  12.219   4.321  -5.772
  675    HZ3  TRP  83           HZ3      TRP  83   9.966   2.178  -8.735
  676    HH2  TRP  83           HH2      TRP  83  11.940   3.543  -8.110
  677    H    PHE  84           HN       PHE  84   4.154   2.713  -5.932
  678    HA   PHE  84           HA       PHE  84   2.268   1.059  -4.354
  679   1HB   PHE  84           HB2      PHE  84   2.051   2.750  -6.837
  680   2HB   PHE  84           HB1      PHE  84   0.819   1.534  -6.485
  681    HD1  PHE  84           HD2      PHE  84   2.587   4.472  -5.000
  682    HD2  PHE  84           HD1      PHE  84  -0.869   1.926  -4.890
  683    HE1  PHE  84           HE2      PHE  84   1.526   5.982  -3.341
  684    HE2  PHE  84           HE1      PHE  84  -1.931   3.438  -3.236
  685    HZ   PHE  84           HZ       PHE  84  -0.734   5.465  -2.461
  686    H    TRP  85           HN       TRP  85   3.872  -0.842  -4.710
  687    HA   TRP  85           HA       TRP  85   3.987  -1.952  -7.403
  688   1HB   TRP  85           HB2      TRP  85   4.795  -2.904  -4.668
  689   2HB   TRP  85           HB1      TRP  85   4.714  -4.056  -6.003
  690    HD1  TRP  85           HD1      TRP  85   6.487  -0.814  -4.960
  691    HE1  TRP  85           HE1      TRP  85   8.689  -0.579  -6.312
  692    HE3  TRP  85           HE3      TRP  85   5.968  -4.801  -8.112
  693    HZ2  TRP  85           HZ2      TRP  85  10.016  -1.938  -8.455
  694    HZ3  TRP  85           HZ3      TRP  85   7.714  -5.304  -9.798
  695    HH2  TRP  85           HH2      TRP  85   9.736  -3.880  -9.971
  696    H    LEU  86           HN       LEU  86   1.779  -2.173  -8.075
  697    HA   LEU  86           HA       LEU  86  -0.157  -3.518  -6.391
  698   1HB   LEU  86           HB2      LEU  86  -0.084  -2.552  -9.219
  699   2HB   LEU  86           HB1      LEU  86  -1.324  -3.724  -8.772
  700    HG   LEU  86           HG       LEU  86  -2.239  -1.520  -8.436
  701   1HD1  LEU  86          HD13      LEU  86  -2.440  -3.389  -6.611
  702   2HD1  LEU  86          HD12      LEU  86  -1.437  -2.301  -5.651
  703   3HD1  LEU  86          HD11      LEU  86  -3.006  -1.759  -6.245
  704   1HD2  LEU  86          HD23      LEU  86  -0.055  -0.338  -8.314
  705   2HD2  LEU  86          HD22      LEU  86  -1.133   0.138  -7.002
  706   3HD2  LEU  86          HD21      LEU  86   0.187  -0.992  -6.694
  707    H    VAL  87           HN       VAL  87  -0.441  -5.637  -6.113
  708    HA   VAL  87           HA       VAL  87   0.850  -7.509  -8.068
  709    HB   VAL  87           HB       VAL  87   1.714  -8.737  -6.352
  710   1HG1  VAL  87          HG13      VAL  87   0.969  -6.161  -4.944
  711   2HG1  VAL  87          HG12      VAL  87   1.962  -7.402  -4.183
  712   3HG1  VAL  87          HG11      VAL  87   2.523  -6.602  -5.651
  713   1HG2  VAL  87          HG22      VAL  87  -0.900  -8.213  -4.916
  714   2HG2  VAL  87          HG21      VAL  87  -0.331  -9.729  -5.609
  715   3HG2  VAL  87          HG23      VAL  87   0.438  -9.082  -4.163
  716    H    GLU  88           HN       GLU  88  -0.432  -9.802  -7.968
  717    HA   GLU  88           HA       GLU  88  -3.280  -9.398  -7.344
  718   1HB   GLU  88           HB2      GLU  88  -2.314  -9.663 -10.194
  719   2HB   GLU  88           HB1      GLU  88  -3.994  -9.863  -9.701
  720   1HG   GLU  88           HG2      GLU  88  -3.909  -7.558  -8.701
  721   2HG   GLU  88           HG1      GLU  88  -2.298  -7.368  -9.393
  722    H    ARG  89           HN       ARG  89  -1.246 -11.515  -6.593
  723    HA   ARG  89           HA       ARG  89  -3.051 -13.739  -7.112
  724   1HB   ARG  89           HB2      ARG  89  -1.769 -15.112  -8.490
  725   2HB   ARG  89           HB1      ARG  89  -1.498 -13.521  -9.189
  726   1HG   ARG  89           HG2      ARG  89   0.705 -13.961  -8.989
  727   2HG   ARG  89           HG1      ARG  89   0.497 -13.732  -7.251
  728   1HD   ARG  89           HD2      ARG  89   1.319 -15.876  -7.170
  729   2HD   ARG  89           HD1      ARG  89  -0.363 -16.293  -7.488
  730    HE   ARG  89           HE       ARG  89   0.763 -15.947 -10.013
  731   1HH1  ARG  89          HH21      ARG  89   3.056 -17.028  -8.083
  732   2HH1  ARG  89          HH22      ARG  89   3.042 -18.690  -8.569
  733   1HH2  ARG  89          HH11      ARG  89   0.036 -18.446 -10.272
  734   2HH2  ARG  89          HH12      ARG  89   1.336 -19.492  -9.808
  735    H    TRP  90           HN       TRP  90  -2.562 -12.878  -4.657
  736    HA   TRP  90           HA       TRP  90  -0.244 -14.216  -3.468
  737   1HB   TRP  90           HB2      TRP  90  -1.024 -13.394  -1.367
  738   2HB   TRP  90           HB1      TRP  90  -1.340 -12.111  -2.540
  739    HD1  TRP  90           HD1      TRP  90  -3.141 -15.068  -0.853
  740    HE1  TRP  90           HE1      TRP  90  -5.651 -14.501  -0.591
  741    HE3  TRP  90           HE3      TRP  90  -3.256 -10.527  -3.221
  742    HZ2  TRP  90           HZ2      TRP  90  -7.436 -12.400  -1.292
  743    HZ3  TRP  90           HZ3      TRP  90  -5.395  -9.272  -3.398
  744    HH2  TRP  90           HH2      TRP  90  -7.476 -10.202  -2.439
  745    H    GLU  91           HN       GLU  91  -0.472 -15.948  -1.841
  746    HA   GLU  91           HA       GLU  91  -2.473 -17.934  -2.729
  747   1HB   GLU  91           HB2      GLU  91  -0.827 -19.394  -2.226
  748   2HB   GLU  91           HB1      GLU  91   0.176 -18.052  -1.706
  749   1HG   GLU  91           HG2      GLU  91  -0.792 -18.201   0.567
  750   2HG   GLU  91           HG1      GLU  91  -1.781 -19.566   0.048
  751    H    GLY  92           HN       GLY  92  -4.187 -18.625  -1.502
  752   1HA   GLY  92           HA2      GLY  92  -5.952 -18.209   0.038
  753   2HA   GLY  92           HA1      GLY  92  -4.708 -18.804   1.129
  754    H    GLU  93           HN       GLU  93  -3.303 -17.143   2.153
  755    HA   GLU  93           HA       GLU  93  -4.898 -14.737   2.801
  756   1HB   GLU  93           HB2      GLU  93  -2.311 -15.716   4.032
  757   2HB   GLU  93           HB1      GLU  93  -3.401 -14.502   4.694
  758   1HG   GLU  93           HG2      GLU  93  -4.734 -17.045   4.079
  759   2HG   GLU  93           HG1      GLU  93  -3.480 -17.189   5.312
  760    HA   PRO  94           HA       PRO  94  -2.206 -12.199   0.376
  761   1HB   PRO  94           HB2      PRO  94  -2.936  -9.793   1.577
  762   2HB   PRO  94           HB1      PRO  94  -3.846 -10.586   0.282
  763   1HG   PRO  94           HG2      PRO  94  -4.530 -10.338   3.135
  764   2HG   PRO  94           HG1      PRO  94  -5.573 -10.783   1.778
  765   1HD   PRO  94           HD2      PRO  94  -4.447 -12.533   3.753
  766   2HD   PRO  94           HD1      PRO  94  -5.401 -12.995   2.328
  767    H    TRP  95           HN       TRP  95  -1.044  -9.823   1.298
  768    HA   TRP  95           HA       TRP  95   0.074  -9.916   3.875
  769   1HB   TRP  95           HB2      TRP  95   2.329 -10.705   3.505
  770   2HB   TRP  95           HB1      TRP  95   1.199 -11.961   3.031
  771    HD1  TRP  95           HD1      TRP  95   0.669 -10.118   0.183
  772    HE1  TRP  95           HE1      TRP  95   2.374 -10.520  -1.731
  773    HE3  TRP  95           HE3      TRP  95   4.432 -12.307   2.855
  774    HZ2  TRP  95           HZ2      TRP  95   5.007 -11.640  -2.032
  775    HZ3  TRP  95           HZ3      TRP  95   6.511 -13.044   1.725
  776    HH2  TRP  95           HH2      TRP  95   6.800 -12.715  -0.709
  777    H    GLY  96           HN       GLY  96   0.395  -7.815   4.206
  778   1HA   GLY  96           HA2      GLY  96   2.254  -6.180   2.926
  779   2HA   GLY  96           HA1      GLY  96   0.760  -5.957   2.018
  780    H    LYS  97           HN       LYS  97  -0.991  -6.321   4.312
  781    HA   LYS  97           HA       LYS  97  -1.504  -3.762   5.149
  782   1HB   LYS  97           HB2      LYS  97  -1.942  -5.125   7.528
  783   2HB   LYS  97           HB1      LYS  97  -3.102  -4.945   6.217
  784   1HG   LYS  97           HG2      LYS  97  -2.799  -7.315   6.928
  785   2HG   LYS  97           HG1      LYS  97  -2.382  -7.057   5.238
  786   1HD   LYS  97           HD2      LYS  97  -0.474  -8.168   5.811
  787   2HD   LYS  97           HD1      LYS  97   0.026  -6.589   6.417
  788   1HE   LYS  97           HE2      LYS  97  -1.340  -7.434   8.567
  789   2HE   LYS  97           HE1      LYS  97  -0.859  -9.003   7.920
  790   1HZ   LYS  97           HZ3      LYS  97   1.335  -7.275   7.768
  791   2HZ   LYS  97           HZ2      LYS  97   0.699  -7.164   9.339
  792   3HZ   LYS  97           HZ1      LYS  97   1.165  -8.673   8.714
  793    H    GLU  98           HN       GLU  98   0.170  -2.386   5.617
  794    HA   GLU  98           HA       GLU  98   2.330  -3.167   7.433
  795   1HB   GLU  98           HB2      GLU  98   2.628  -1.569   5.511
  796   2HB   GLU  98           HB1      GLU  98   1.641  -0.405   6.394
  797   1HG   GLU  98           HG2      GLU  98   4.085  -0.052   6.753
  798   2HG   GLU  98           HG1      GLU  98   3.224  -0.413   8.250
  799    H    GLY  99           HN       GLY  99   1.669  -3.423   9.552
  800   1HA   GLY  99           HA2      GLY  99   0.651  -2.908  11.611
  801   2HA   GLY  99           HA1      GLY  99   1.068  -1.239  11.209
  802    H    GLN 100           HN       GLN 100  -1.038  -3.190   9.206
  803    HA   GLN 100           HA       GLN 100  -3.395  -1.650  10.189
  804   1HB   GLN 100           HB2      GLN 100  -3.980  -0.926   8.038
  805   2HB   GLN 100           HB1      GLN 100  -2.227  -0.783   8.004
  806   1HG   GLN 100           HG2      GLN 100  -2.034  -2.944   6.891
  807   2HG   GLN 100           HG1      GLN 100  -3.779  -3.179   6.983
  808   1HE2  GLN 100          HE22      GLN 100  -2.831   0.055   4.667
  809   2HE2  GLN 100          HE21      GLN 100  -2.274  -0.039   6.268
  810    HA   PRO 101           HA       PRO 101  -5.653  -5.391  10.074
  811   1HB   PRO 101           HB2      PRO 101  -7.860  -4.443   8.488
  812   2HB   PRO 101           HB1      PRO 101  -7.783  -4.624  10.246
  813   1HG   PRO 101           HG2      PRO 101  -7.789  -2.175   8.752
  814   2HG   PRO 101           HG1      PRO 101  -7.629  -2.363  10.501
  815   1HD   PRO 101           HD2      PRO 101  -5.585  -1.628   8.587
  816   2HD   PRO 101           HD1      PRO 101  -5.451  -1.726  10.348
  817    H    GLY 102           HN       GLY 102  -5.807  -3.710   6.919
  818   1HA   GLY 102           HA2      GLY 102  -5.548  -4.545   4.739
  819   2HA   GLY 102           HA1      GLY 102  -4.599  -5.848   5.466
  820    H    GLU 103           HN       GLU 103  -7.430  -5.204   3.801
  821    HA   GLU 103           HA       GLU 103  -8.385  -7.951   4.315
  822   1HB   GLU 103           HB2      GLU 103 -10.785  -6.987   4.574
  823   2HB   GLU 103           HB1      GLU 103  -9.724  -6.982   5.980
  824   1HG   GLU 103           HG2      GLU 103  -9.063  -4.591   4.956
  825   2HG   GLU 103           HG1      GLU 103 -10.714  -4.692   4.340
  826    H    TRP 104           HN       TRP 104  -9.220  -8.836   2.464
  827    HA   TRP 104           HA       TRP 104  -8.947  -7.663  -0.050
  828   1HB   TRP 104           HB2      TRP 104 -11.305  -9.463   0.513
  829   2HB   TRP 104           HB1      TRP 104 -10.281  -9.403  -0.923
  830    HD1  TRP 104           HD1      TRP 104  -7.593 -10.070  -0.393
  831    HE1  TRP 104           HE1      TRP 104  -6.696 -12.030   1.042
  832    HE3  TRP 104           HE3      TRP 104 -11.751 -11.019   2.410
  833    HZ2  TRP 104           HZ2      TRP 104  -7.662 -13.755   3.116
  834    HZ3  TRP 104           HZ3      TRP 104 -11.736 -12.824   4.109
  835    HH2  TRP 104           HH2      TRP 104  -9.699 -14.193   4.466
  836    H    MET 105           HN       MET 105 -10.098  -6.136  -1.181
  837    HA   MET 105           HA       MET 105 -12.663  -5.217   0.055
  838   1HB   MET 105           HB2      MET 105 -10.409  -3.766   0.175
  839   2HB   MET 105           HB1      MET 105 -10.960  -3.271  -1.429
  840   1HG   MET 105           HG2      MET 105 -12.521  -3.085   1.162
  841   2HG   MET 105           HG1      MET 105 -11.885  -1.741   0.215
  842   1HE   MET 105           HE2      MET 105 -13.613  -0.578   0.222
  843   2HE   MET 105           HE1      MET 105 -14.641  -0.509  -1.207
  844   3HE   MET 105           HE3      MET 105 -15.263  -1.194   0.301
  845    H    SER 106           HN       SER 106 -14.275  -5.649  -1.364
  846    HA   SER 106           HA       SER 106 -13.708  -6.096  -4.183
  847   1HB   SER 106           HB2      SER 106 -16.493  -5.933  -3.815
  848   2HB   SER 106           HB1      SER 106 -15.515  -7.393  -3.921
  849    HG   SER 106           HG       SER 106 -16.827  -6.458  -1.834
  850    H    LEU 107           HN       LEU 107 -13.020  -3.447  -3.545
  851    HA   LEU 107           HA       LEU 107 -15.129  -1.598  -4.177
  852   1HB   LEU 107           HB2      LEU 107 -13.032  -0.893  -3.060
  853   2HB   LEU 107           HB1      LEU 107 -12.119  -1.299  -4.513
  854    HG   LEU 107           HG       LEU 107 -14.444   0.534  -4.841
  855   1HD1  LEU 107          HD11      LEU 107 -12.080   1.084  -3.141
  856   2HD1  LEU 107          HD13      LEU 107 -12.454   2.322  -4.341
  857   3HD1  LEU 107          HD12      LEU 107 -13.665   1.856  -3.146
  858   1HD2  LEU 107          HD22      LEU 107 -12.751  -0.374  -6.611
  859   2HD2  LEU 107          HD21      LEU 107 -13.162   1.339  -6.645
  860   3HD2  LEU 107          HD23      LEU 107 -11.645   0.810  -5.921
  861    H    VAL 108           HN       VAL 108 -15.206  -0.367  -6.274
  862    HA   VAL 108           HA       VAL 108 -14.435  -2.140  -8.562
  863    HB   VAL 108           HB       VAL 108 -16.894  -0.441  -8.101
  864   1HG1  VAL 108          HG13      VAL 108 -15.519  -1.123 -10.632
  865   2HG1  VAL 108          HG12      VAL 108 -17.248  -1.475 -10.600
  866   3HG1  VAL 108          HG11      VAL 108 -16.675   0.165 -10.290
  867   1HG2  VAL 108          HG21      VAL 108 -16.221  -3.312  -8.304
  868   2HG2  VAL 108          HG23      VAL 108 -17.566  -2.528  -7.474
  869   3HG2  VAL 108          HG22      VAL 108 -17.655  -2.827  -9.211
  870    H    GLY 109           HN       GLY 109 -12.772  -1.187  -9.660
  871   1HA   GLY 109           HA2      GLY 109 -11.339   0.542 -10.411
  872   2HA   GLY 109           HA1      GLY 109 -12.852   1.239 -11.007
  873    H    LEU 110           HN       LEU 110 -10.652   1.132  -8.269
  874    HA   LEU 110           HA       LEU 110 -11.761   2.626  -6.311
  875   1HB   LEU 110           HB2      LEU 110  -9.084   2.243  -7.273
  876   2HB   LEU 110           HB1      LEU 110  -9.315   3.919  -6.715
  877    HG   LEU 110           HG       LEU 110 -10.636   2.454  -4.793
  878   1HD1  LEU 110          HD13      LEU 110  -8.216   0.946  -5.800
  879   2HD1  LEU 110          HD12      LEU 110  -8.772   0.799  -4.133
  880   3HD1  LEU 110          HD11      LEU 110  -9.829   0.318  -5.461
  881   1HD2  LEU 110          HD21      LEU 110  -8.018   3.832  -5.104
  882   2HD2  LEU 110          HD23      LEU 110  -9.338   4.170  -3.990
  883   3HD2  LEU 110          HD22      LEU 110  -8.219   2.847  -3.661
  884    H    ASN 111           HN       ASN 111 -11.868   4.878  -5.753
  885    HA   ASN 111           HA       ASN 111 -12.027   6.739  -8.083
  886   1HB   ASN 111           HB2      ASN 111 -14.214   5.572  -7.160
  887   2HB   ASN 111           HB1      ASN 111 -14.117   6.859  -5.947
  888   1HD2  ASN 111          HD22      ASN 111 -15.426   7.746  -9.650
  889   2HD2  ASN 111          HD21      ASN 111 -15.185   6.152  -9.121
  890    H    ALA 112           HN       ALA 112 -10.902   6.210  -4.943
  891    HA   ALA 112           HA       ALA 112  -9.670   7.714  -3.573
  892   1HB   ALA 112           HB2      ALA 112  -9.502   9.134  -5.753
  893   2HB   ALA 112           HB1      ALA 112 -10.855  10.044  -5.080
  894   3HB   ALA 112           HB3      ALA 112  -9.327   9.961  -4.206
  895    H    ASP 113           HN       ASP 113 -12.981   8.391  -4.547
  896    HA   ASP 113           HA       ASP 113 -13.964   9.957  -2.474
  897   1HB   ASP 113           HB2      ASP 113 -14.959   8.247  -4.526
  898   2HB   ASP 113           HB1      ASP 113 -15.807   7.830  -3.050
  899    H    ASP 114           HN       ASP 114 -12.947   6.630  -2.470
  900    HA   ASP 114           HA       ASP 114 -13.982   6.256   0.298
  901   1HB   ASP 114           HB2      ASP 114 -13.061   4.367  -1.876
  902   2HB   ASP 114           HB1      ASP 114 -13.290   3.833  -0.197
  903    H    PHE 115           HN       PHE 115 -11.097   6.747  -1.532
  904    HA   PHE 115           HA       PHE 115  -9.418   5.853   0.748
  905   1HB   PHE 115           HB2      PHE 115  -8.794   6.603  -2.117
  906   2HB   PHE 115           HB1      PHE 115  -7.528   6.391  -0.904
  907    HD1  PHE 115           HD2      PHE 115 -10.681   4.620  -1.942
  908    HD2  PHE 115           HD1      PHE 115  -6.543   4.283  -0.841
  909    HE1  PHE 115           HE2      PHE 115 -10.804   2.160  -2.233
  910    HE2  PHE 115           HE1      PHE 115  -6.667   1.822  -1.129
  911    HZ   PHE 115           HZ       PHE 115  -8.798   0.759  -1.824
  912    HA   PRO 116           HA       PRO 116  -8.906   9.880   2.323
  913   1HB   PRO 116           HB2      PRO 116  -6.106   9.449   2.900
  914   2HB   PRO 116           HB1      PRO 116  -7.465   9.443   4.024
  915   1HG   PRO 116           HG2      PRO 116  -5.957   7.188   3.157
  916   2HG   PRO 116           HG1      PRO 116  -7.438   7.164   4.125
  917   1HD   PRO 116           HD2      PRO 116  -7.082   6.435   1.328
  918   2HD   PRO 116           HD1      PRO 116  -8.514   6.219   2.355
  919    HA   PRO 117           HA       PRO 117  -7.303  12.071  -1.199
  920   1HB   PRO 117           HB2      PRO 117  -7.208  14.505   0.357
  921   2HB   PRO 117           HB1      PRO 117  -8.377  14.048  -0.891
  922   1HG   PRO 117           HG2      PRO 117  -8.815  14.168   1.947
  923   2HG   PRO 117           HG1      PRO 117  -9.958  13.652   0.701
  924   1HD   PRO 117           HD2      PRO 117  -8.586  12.006   2.638
  925   2HD   PRO 117           HD1      PRO 117  -9.752  11.495   1.400
  926    H    ALA 118           HN       ALA 118  -5.831  11.872   1.936
  927    HA   ALA 118           HA       ALA 118  -3.514  13.410   1.739
  928   1HB   ALA 118           HB3      ALA 118  -4.244  10.885   3.063
  929   2HB   ALA 118           HB2      ALA 118  -2.519  11.032   2.724
  930   3HB   ALA 118           HB1      ALA 118  -3.337  12.260   3.692
  931    H    ASN 119           HN       ASN 119  -3.951  10.103   0.480
  932    HA   ASN 119           HA       ASN 119  -1.475  10.319  -1.104
  933   1HB   ASN 119           HB2      ASN 119  -3.539   8.158  -0.646
  934   2HB   ASN 119           HB1      ASN 119  -2.320   7.999  -1.909
  935   1HD2  ASN 119          HD22      ASN 119   0.339   7.413   0.368
  936   2HD2  ASN 119          HD21      ASN 119  -0.077   7.749  -1.243
  937    H    GLU 120           HN       GLU 120  -3.269  12.277  -1.812
  938    HA   GLU 120           HA       GLU 120  -5.169  11.711  -3.807
  939   1HB   GLU 120           HB2      GLU 120  -3.752  14.005  -2.767
  940   2HB   GLU 120           HB1      GLU 120  -4.005  14.152  -4.508
  941   1HG   GLU 120           HG2      GLU 120  -6.362  13.923  -4.295
  942   2HG   GLU 120           HG1      GLU 120  -6.231  13.328  -2.639
  943    HA   PRO 121           HA       PRO 121  -1.511  12.587  -6.961
  944   1HB   PRO 121           HB2      PRO 121   0.701  11.150  -5.728
  945   2HB   PRO 121           HB1      PRO 121   0.659  12.799  -6.362
  946   1HG   PRO 121           HG2      PRO 121   0.711  12.054  -3.627
  947   2HG   PRO 121           HG1      PRO 121   0.397  13.673  -4.266
  948   1HD   PRO 121           HD2      PRO 121  -1.463  11.832  -3.024
  949   2HD   PRO 121           HD1      PRO 121  -1.750  13.509  -3.523
  950    H    VAL 122           HN       VAL 122  -1.423   9.537  -5.067
  951    HA   VAL 122           HA       VAL 122  -1.275   8.089  -7.655
  952    HB   VAL 122           HB       VAL 122  -0.638   7.460  -4.836
  953   1HG1  VAL 122          HG11      VAL 122  -1.814   5.460  -6.763
  954   2HG1  VAL 122          HG13      VAL 122  -0.653   4.960  -5.536
  955   3HG1  VAL 122          HG12      VAL 122  -2.187   5.684  -5.054
  956   1HG2  VAL 122          HG22      VAL 122   0.539   7.303  -7.532
  957   2HG2  VAL 122          HG21      VAL 122   1.320   7.603  -5.983
  958   3HG2  VAL 122          HG23      VAL 122   0.953   5.953  -6.477
  959    H    ILE 123           HN       ILE 123  -3.479   8.598  -4.947
  960    HA   ILE 123           HA       ILE 123  -5.367   6.575  -5.682
  961    HB   ILE 123           HB       ILE 123  -5.287   8.845  -3.830
  962   1HG1  ILE 123          HG12      ILE 123  -5.291   6.504  -3.109
  963   2HG1  ILE 123          HG11      ILE 123  -6.739   7.310  -2.508
  964   1HG2  ILE 123          HG22      ILE 123  -7.819   8.307  -5.369
  965   2HG2  ILE 123          HG21      ILE 123  -7.863   8.919  -3.715
  966   3HG2  ILE 123          HG23      ILE 123  -7.077   9.860  -4.984
  967   1HD1  ILE 123          HD12      ILE 123  -7.110   6.153  -5.175
  968   2HD1  ILE 123          HD11      ILE 123  -6.702   4.948  -3.953
  969   3HD1  ILE 123          HD13      ILE 123  -8.106   5.990  -3.729
  970    H    ALA 124           HN       ALA 124  -4.544   9.696  -6.898
  971    HA   ALA 124           HA       ALA 124  -6.860  10.386  -8.378
  972   1HB   ALA 124           HB2      ALA 124  -3.924  10.925  -8.663
  973   2HB   ALA 124           HB1      ALA 124  -5.013  11.388  -9.972
  974   3HB   ALA 124           HB3      ALA 124  -5.238  12.059  -8.357
  975    H    LYS 125           HN       LYS 125  -4.261   8.158  -8.964
  976    HA   LYS 125           HA       LYS 125  -5.030   7.529 -11.702
  977   1HB   LYS 125           HB2      LYS 125  -3.174   6.034  -9.833
  978   2HB   LYS 125           HB1      LYS 125  -3.222   5.920 -11.596
  979   1HG   LYS 125           HG2      LYS 125  -2.495   8.358  -9.950
  980   2HG   LYS 125           HG1      LYS 125  -1.419   7.415 -10.984
  981   1HD   LYS 125           HD2      LYS 125  -2.684   8.060 -12.965
  982   2HD   LYS 125           HD1      LYS 125  -3.855   8.920 -11.965
  983   1HE   LYS 125           HE2      LYS 125  -2.209  10.530 -11.277
  984   2HE   LYS 125           HE1      LYS 125  -0.906   9.593 -12.008
  985   1HZ   LYS 125           HZ3      LYS 125  -3.172  10.618 -13.604
  986   2HZ   LYS 125           HZ2      LYS 125  -1.785  11.558 -13.314
  987   3HZ   LYS 125           HZ1      LYS 125  -1.657  10.082 -14.148
  988    H    LEU 126           HN       LEU 126  -5.433   5.933  -8.512
  989    HA   LEU 126           HA       LEU 126  -6.665   3.576  -9.642
  990   1HB   LEU 126           HB2      LEU 126  -7.068   4.747  -6.871
  991   2HB   LEU 126           HB1      LEU 126  -7.469   3.111  -7.382
  992    HG   LEU 126           HG       LEU 126  -5.398   2.456  -6.794
  993   1HD1  LEU 126          HD11      LEU 126  -4.934   3.141  -9.255
  994   2HD1  LEU 126          HD13      LEU 126  -4.110   4.535  -8.560
  995   3HD1  LEU 126          HD12      LEU 126  -3.549   2.906  -8.192
  996   1HD2  LEU 126          HD23      LEU 126  -5.592   4.695  -5.427
  997   2HD2  LEU 126          HD22      LEU 126  -4.051   3.841  -5.508
  998   3HD2  LEU 126          HD21      LEU 126  -4.337   5.244  -6.537
  999    H    LYS 127           HN       LYS 127  -7.672   6.791  -9.226
 1000    HA   LYS 127           HA       LYS 127 -10.505   6.459  -8.965
 1001   1HB   LYS 127           HB2      LYS 127  -9.068   8.562 -10.605
 1002   2HB   LYS 127           HB1      LYS 127 -10.643   8.721  -9.804
 1003   1HG   LYS 127           HG2      LYS 127  -8.973   7.983  -7.726
 1004   2HG   LYS 127           HG1      LYS 127  -7.951   9.023  -8.702
 1005   1HD   LYS 127           HD2      LYS 127 -10.672   9.729  -7.592
 1006   2HD   LYS 127           HD1      LYS 127  -9.124  10.408  -7.089
 1007   1HE   LYS 127           HE2      LYS 127  -8.810  11.476  -9.220
 1008   2HE   LYS 127           HE1      LYS 127 -10.176  10.609  -9.922
 1009   1HZ   LYS 127           HZ2      LYS 127 -10.668  12.239  -7.545
 1010   2HZ   LYS 127           HZ1      LYS 127 -10.417  13.050  -9.016
 1011   3HZ   LYS 127           HZ3      LYS 127 -11.680  11.925  -8.873
 1012    H    ARG 128           HN       ARG 128  -8.220   6.360 -11.558
 1013    HA   ARG 128           HA       ARG 128 -10.208   6.016 -13.671
 1014   1HB   ARG 128           HB2      ARG 128  -7.375   5.272 -14.145
 1015   2HB   ARG 128           HB1      ARG 128  -8.438   6.295 -15.106
 1016   1HG   ARG 128           HG2      ARG 128  -8.192   7.947 -13.065
 1017   2HG   ARG 128           HG1      ARG 128  -6.722   7.020 -12.747
 1018   1HD   ARG 128           HD2      ARG 128  -5.824   8.560 -14.189
 1019   2HD   ARG 128           HD1      ARG 128  -6.414   7.411 -15.392
 1020    HE   ARG 128           HE       ARG 128  -8.573   9.084 -15.013
 1021   1HH1  ARG 128          HH11      ARG 128  -5.561   9.040 -16.549
 1022   2HH1  ARG 128          HH12      ARG 128  -5.630  10.683 -17.095
 1023   1HH2  ARG 128          HH21      ARG 128  -8.536  11.416 -15.349
 1024   2HH2  ARG 128          HH22      ARG 128  -7.316  12.029 -16.415
 1025    H    LEU 129           HN       LEU 129  -8.467   4.065 -11.427
 1026    HA   LEU 129           HA       LEU 129  -8.182   1.601 -12.718
 1027   1HB   LEU 129           HB2      LEU 129  -8.177   2.527 -10.037
 1028   2HB   LEU 129           HB1      LEU 129  -9.254   1.133 -10.093
 1029    HG   LEU 129           HG       LEU 129  -7.514  -0.221 -11.117
 1030   1HD1  LEU 129          HD13      LEU 129  -6.539   2.196 -12.047
 1031   2HD1  LEU 129          HD12      LEU 129  -5.359   1.755 -10.814
 1032   3HD1  LEU 129          HD11      LEU 129  -5.690   0.653 -12.150
 1033   1HD2  LEU 129          HD22      LEU 129  -7.548   0.340  -8.567
 1034   2HD2  LEU 129          HD21      LEU 129  -6.118  -0.449  -9.234
 1035   3HD2  LEU 129          HD23      LEU 129  -6.103   1.287  -8.921
 1036   3HOG  APC 130           H5T      ATP 130   5.955   3.514   7.872
 1037   1H3A  APC 130           H3P      ATP 130   9.182   1.714   7.449
 1038   2H3A  APC 130          H3P'      ATP 130   7.813   2.827   7.673
 1039   1H5*  APC 130           H5'      ATP 130   8.741   4.243   6.983
 1040   2H5*  APC 130          H5''      ATP 130  10.131   5.336   7.020
 1041    H4*  APC 130           H4'      ATP 130   9.048   6.554   8.934
 1042    H3*  APC 130           H3'      ATP 130   7.143   4.357   8.535
 1043   *HO3  APC 130          H3''      ATP 130   8.131   5.953  10.606
 1044    H2*  APC 130          H2''      ATP 130   5.349   5.553   7.967
 1045   *HO2  APC 130           H2'      ATP 130   4.519   6.770   9.470
 1046    H1*  APC 130           H1'      ATP 130   6.568   8.204   7.889
 1047    H8   APC 130           H8       ATP 130   6.036   5.186   5.514
 1048    H2   APC 130           H2       ATP 130   4.010  11.250   5.819
 1049   1HN6  APC 130           H61      ATP 130   2.841   7.288   2.547
 1050   2HN6  APC 130           H62      ATP 130   2.184   8.903   2.453
 1051   1HN1  CON 131          H1N1      ATP 130   7.938  -0.073  13.193
 1052   2HN1  CON 131          H2N1      ATP 130   7.219   0.917  14.165
 1053   3HN1  CON 131          H3N1      ATP 130   8.345   1.436  13.214
 1054   1HN2  CON 131          H1N2      ATP 130   3.891   1.744  12.917
 1055   2HN2  CON 131          H2N2      ATP 130   4.516   0.541  13.695
 1056   3HN2  CON 131          H3N2      ATP 130   4.993   1.999  13.994
 1057   1HN3  CON 131          H1N3      ATP 130   5.931   3.706  12.555
 1058   2HN3  CON 131          H2N3      ATP 130   6.541   3.696  11.116
 1059   3HN3  CON 131          H3N3      ATP 130   7.453   3.420  12.354
 1060   1HN4  CON 131          H1N4      ATP 130   6.559  -1.304  11.427
 1061   2HN4  CON 131          H2N4      ATP 130   5.406  -1.157  12.475
 1062   3HN4  CON 131          H3N4      ATP 130   5.108  -0.966  10.952
 1063   1HO1  MO2 132          H1O1      MG  131   9.723  -2.868   6.869
 1064   2HO1  MO2 132          H2O1      MG  131   8.966  -2.384   8.075
 1065   1HO2  MO2 132          H1O2      MG  131   7.161  -4.371   9.097
 1066   2HO2  MO2 132          H2O2      MG  131   5.704  -4.198   8.780
   
  No H/Q in entry =        1066
  Start of MODEL   15
    1   1H    MET   1           HT2      MET   1  14.370  16.069   5.307
    2   2H    MET   1           HT1      MET   1  14.857  17.696   5.310
    3   3H    MET   1           HT3      MET   1  14.236  17.003   3.894
    4    HA   MET   1           HA       MET   1  16.480  16.966   3.467
    5   1HB   MET   1           HB2      MET   1  17.456  17.747   5.455
    6   2HB   MET   1           HB1      MET   1  16.670  16.513   6.436
    7   1HG   MET   1           HG2      MET   1  18.383  15.065   6.149
    8   2HG   MET   1           HG1      MET   1  18.421  15.342   4.408
    9   1HE   MET   1           HE1      MET   1  20.670  15.599   3.662
   10   2HE   MET   1           HE3      MET   1  22.013  16.164   4.665
   11   3HE   MET   1           HE2      MET   1  21.058  14.772   5.167
   12    H    LYS   2           HN       LYS   2  16.249  14.457   5.950
   13    HA   LYS   2           HA       LYS   2  17.178  12.357   4.350
   14   1HB   LYS   2           HB2      LYS   2  15.926  10.854   5.957
   15   2HB   LYS   2           HB1      LYS   2  16.974  12.041   6.734
   16   1HG   LYS   2           HG2      LYS   2  14.863  12.066   7.906
   17   2HG   LYS   2           HG1      LYS   2  14.955  13.548   6.955
   18   1HD   LYS   2           HD2      LYS   2  13.232  12.937   5.603
   19   2HD   LYS   2           HD1      LYS   2  13.771  11.261   5.523
   20   1HE   LYS   2           HE2      LYS   2  12.435  12.458   7.958
   21   2HE   LYS   2           HE1      LYS   2  11.565  11.577   6.702
   22   1HZ   LYS   2           HZ3      LYS   2  13.928  10.277   7.781
   23   2HZ   LYS   2           HZ2      LYS   2  12.608  10.411   8.842
   24   3HZ   LYS   2           HZ1      LYS   2  12.427   9.618   7.350
   25    H    LYS   3           HN       LYS   3  15.436  10.327   4.152
   26    HA   LYS   3           HA       LYS   3  12.957  11.272   2.871
   27   1HB   LYS   3           HB2      LYS   3  14.022  11.344   0.842
   28   2HB   LYS   3           HB1      LYS   3  15.343  10.314   1.385
   29   1HG   LYS   3           HG2      LYS   3  12.589   9.168   0.947
   30   2HG   LYS   3           HG1      LYS   3  13.699   9.370  -0.403
   31   1HD   LYS   3           HD2      LYS   3  14.954   8.155   1.958
   32   2HD   LYS   3           HD1      LYS   3  13.641   7.185   1.292
   33   1HE   LYS   3           HE2      LYS   3  15.149   6.437  -0.219
   34   2HE   LYS   3           HE1      LYS   3  15.033   8.030  -0.962
   35   1HZ   LYS   3           HZ1      LYS   3  16.802   8.771   0.566
   36   2HZ   LYS   3           HZ3      LYS   3  16.963   7.177   1.120
   37   3HZ   LYS   3           HZ2      LYS   3  17.313   7.550  -0.500
   38    H    LEU   4           HN       LEU   4  11.453   9.516   2.551
   39    HA   LEU   4           HA       LEU   4  12.254   6.862   3.594
   40   1HB   LEU   4           HB2      LEU   4  11.348   7.364   5.620
   41   2HB   LEU   4           HB1      LEU   4  10.577   8.815   5.008
   42    HG   LEU   4           HG       LEU   4   9.063   6.995   5.940
   43   1HD1  LEU   4          HD11      LEU   4   8.742   8.757   3.770
   44   2HD1  LEU   4          HD13      LEU   4   7.876   7.274   3.374
   45   3HD1  LEU   4          HD12      LEU   4   7.505   8.140   4.866
   46   1HD2  LEU   4          HD21      LEU   4  10.437   5.393   4.086
   47   2HD2  LEU   4          HD23      LEU   4   9.043   4.928   5.061
   48   3HD2  LEU   4          HD22      LEU   4   8.807   5.584   3.442
   49    H    GLN   5           HN       GLN   5  11.563   5.434   2.060
   50    HA   GLN   5           HA       GLN   5   9.225   6.250   0.402
   51   1HB   GLN   5           HB2      GLN   5  11.350   4.140  -0.084
   52   2HB   GLN   5           HB1      GLN   5   9.941   4.367  -1.113
   53   1HG   GLN   5           HG2      GLN   5  11.058   5.972  -2.223
   54   2HG   GLN   5           HG1      GLN   5  11.035   6.942  -0.747
   55   1HE2  GLN   5          HE22      GLN   5  14.586   6.020  -1.993
   56   2HE2  GLN   5          HE21      GLN   5  13.216   6.437  -2.904
   57    H    ILE   6           HN       ILE   6   7.643   4.514  -0.069
   58    HA   ILE   6           HA       ILE   6   7.470   2.613   2.223
   59    HB   ILE   6           HB       ILE   6   5.489   4.498   1.020
   60   1HG1  ILE   6          HG12      ILE   6   6.804   4.046   3.531
   61   2HG1  ILE   6          HG11      ILE   6   5.751   5.373   3.064
   62   1HG2  ILE   6          HG21      ILE   6   4.514   2.213   0.710
   63   2HG2  ILE   6          HG23      ILE   6   4.688   1.938   2.443
   64   3HG2  ILE   6          HG22      ILE   6   3.603   3.197   1.854
   65   1HD1  ILE   6          HD13      ILE   6   4.683   2.698   4.007
   66   2HD1  ILE   6          HD12      ILE   6   4.998   4.036   5.108
   67   3HD1  ILE   6          HD11      ILE   6   3.793   4.210   3.833
   68    H    ALA   7           HN       ALA   7   7.639   0.571   1.495
   69    HA   ALA   7           HA       ALA   7   7.055  -0.036  -1.331
   70   1HB   ALA   7           HB3      ALA   7   8.770  -1.121   0.682
   71   2HB   ALA   7           HB2      ALA   7   7.639  -2.387   0.202
   72   3HB   ALA   7           HB1      ALA   7   8.650  -1.601  -1.012
   73    H    VAL   8           HN       VAL   8   4.739   0.722  -0.409
   74    HA   VAL   8           HA       VAL   8   3.287  -1.400   0.961
   75    HB   VAL   8           HB       VAL   8   2.371   0.716   1.416
   76   1HG1  VAL   8          HG12      VAL   8   3.308   1.355  -1.223
   77   2HG1  VAL   8          HG11      VAL   8   1.621   1.830  -1.082
   78   3HG1  VAL   8          HG13      VAL   8   2.809   2.453   0.060
   79   1HG2  VAL   8          HG21      VAL   8   0.803  -1.167   0.157
   80   2HG2  VAL   8          HG23      VAL   8   0.188   0.271   0.973
   81   3HG2  VAL   8          HG22      VAL   8   0.449   0.288  -0.772
   82    H    GLY   9           HN       GLY   9   2.455   0.057  -2.219
   83   1HA   GLY   9           HA2      GLY   9   1.663  -1.020  -4.141
   84   2HA   GLY   9           HA1      GLY   9   2.697  -2.378  -3.674
   85    H    ILE  10           HN       ILE  10  -0.407  -0.889  -3.183
   86    HA   ILE  10           HA       ILE  10  -1.634  -2.611  -1.391
   87    HB   ILE  10           HB       ILE  10  -3.454  -2.194  -3.619
   88   1HG1  ILE  10          HG12      ILE  10  -2.262   0.352  -2.491
   89   2HG1  ILE  10          HG11      ILE  10  -1.766  -0.300  -4.054
   90   1HG2  ILE  10          HG21      ILE  10  -3.751  -2.459  -1.015
   91   2HG2  ILE  10          HG23      ILE  10  -3.513  -0.711  -0.999
   92   3HG2  ILE  10          HG22      ILE  10  -4.849  -1.413  -1.912
   93   1HD1  ILE  10          HD13      ILE  10  -4.660   0.210  -3.366
   94   2HD1  ILE  10          HD12      ILE  10  -3.634   1.433  -4.115
   95   3HD1  ILE  10          HD11      ILE  10  -3.958  -0.080  -4.955
   96    H    ILE  11           HN       ILE  11  -3.026  -4.513  -1.814
   97    HA   ILE  11           HA       ILE  11  -1.926  -6.116  -4.082
   98    HB   ILE  11           HB       ILE  11  -2.593  -8.060  -2.387
   99   1HG1  ILE  11          HG12      ILE  11  -2.133  -5.619  -0.647
  100   2HG1  ILE  11          HG11      ILE  11  -3.550  -6.672  -0.660
  101   1HG2  ILE  11          HG23      ILE  11  -0.239  -6.860  -3.191
  102   2HG2  ILE  11          HG22      ILE  11  -0.136  -6.752  -1.438
  103   3HG2  ILE  11          HG21      ILE  11  -0.341  -8.322  -2.212
  104   1HD1  ILE  11          HD11      ILE  11  -1.913  -8.574  -0.066
  105   2HD1  ILE  11          HD13      ILE  11  -0.766  -7.294   0.324
  106   3HD1  ILE  11          HD12      ILE  11  -2.286  -7.414   1.208
  107    H    ARG  12           HN       ARG  12  -3.635  -5.742  -5.503
  108    HA   ARG  12           HA       ARG  12  -6.420  -5.908  -4.682
  109   1HB   ARG  12           HB2      ARG  12  -5.192  -6.028  -7.457
  110   2HB   ARG  12           HB1      ARG  12  -6.897  -5.739  -7.102
  111   1HG   ARG  12           HG2      ARG  12  -6.005  -3.806  -5.623
  112   2HG   ARG  12           HG1      ARG  12  -4.529  -3.959  -6.560
  113   1HD   ARG  12           HD2      ARG  12  -7.270  -3.105  -7.487
  114   2HD   ARG  12           HD1      ARG  12  -5.710  -2.348  -7.788
  115    HE   ARG  12           HE       ARG  12  -5.525  -4.840  -9.024
  116   1HH1  ARG  12          HH21      ARG  12  -8.519  -3.525  -9.078
  117   2HH1  ARG  12          HH22      ARG  12  -8.551  -3.129 -10.762
  118   1HH2  ARG  12          HH11      ARG  12  -5.168  -3.715 -11.238
  119   2HH2  ARG  12          HH12      ARG  12  -6.655  -3.234 -11.985
  120    H    ASN  13           HN       ASN  13  -7.883  -7.622  -5.961
  121    HA   ASN  13           HA       ASN  13  -6.395 -10.156  -6.222
  122   1HB   ASN  13           HB2      ASN  13  -6.684 -10.442  -3.999
  123   2HB   ASN  13           HB1      ASN  13  -8.087  -9.381  -3.932
  124   1HD2  ASN  13          HD22      ASN  13 -10.304 -12.117  -3.921
  125   2HD2  ASN  13          HD21      ASN  13 -10.005 -10.494  -3.523
  126    H    GLU  14           HN       GLU  14  -9.935  -9.314  -5.905
  127    HA   GLU  14           HA       GLU  14 -10.375 -11.368  -7.992
  128   1HB   GLU  14           HB2      GLU  14 -11.798 -11.147  -5.927
  129   2HB   GLU  14           HB1      GLU  14 -12.428  -9.643  -6.589
  130   1HG   GLU  14           HG2      GLU  14 -14.005 -11.259  -7.287
  131   2HG   GLU  14           HG1      GLU  14 -12.974 -11.044  -8.703
  132    H    ASN  15           HN       ASN  15 -10.649  -7.926  -7.671
  133    HA   ASN  15           HA       ASN  15 -10.665  -7.530 -10.558
  134   1HB   ASN  15           HB2      ASN  15 -13.161  -7.867  -9.425
  135   2HB   ASN  15           HB1      ASN  15 -12.935  -6.122  -9.312
  136   1HD2  ASN  15          HD22      ASN  15 -14.406  -6.920 -12.670
  137   2HD2  ASN  15          HD21      ASN  15 -14.896  -7.191 -11.069
  138    H    ASN  16           HN       ASN  16 -11.295  -6.317  -7.402
  139    HA   ASN  16           HA       ASN  16  -9.147  -4.395  -7.576
  140   1HB   ASN  16           HB2      ASN  16 -12.061  -3.594  -7.372
  141   2HB   ASN  16           HB1      ASN  16 -10.756  -2.559  -6.814
  142   1HD2  ASN  16          HD22      ASN  16 -10.009  -1.398 -10.049
  143   2HD2  ASN  16          HD21      ASN  16  -9.814  -1.210  -8.373
  144    H    GLU  17           HN       GLU  17  -9.785  -6.871  -6.116
  145    HA   GLU  17           HA       GLU  17 -10.713  -5.827  -3.503
  146   1HB   GLU  17           HB2      GLU  17  -9.737  -8.621  -4.082
  147   2HB   GLU  17           HB1      GLU  17 -10.775  -8.073  -2.763
  148   1HG   GLU  17           HG2      GLU  17 -12.399  -7.300  -4.591
  149   2HG   GLU  17           HG1      GLU  17 -11.453  -8.294  -5.693
  150    H    ILE  18           HN       ILE  18  -8.981  -4.371  -3.106
  151    HA   ILE  18           HA       ILE  18  -6.266  -5.395  -2.877
  152    HB   ILE  18           HB       ILE  18  -5.642  -3.180  -2.321
  153   1HG1  ILE  18          HG12      ILE  18  -8.519  -2.879  -1.424
  154   2HG1  ILE  18          HG11      ILE  18  -7.056  -2.709  -0.458
  155   1HG2  ILE  18          HG23      ILE  18  -7.457  -3.672  -4.455
  156   2HG2  ILE  18          HG22      ILE  18  -7.846  -2.085  -3.793
  157   3HG2  ILE  18          HG21      ILE  18  -6.211  -2.426  -4.358
  158   1HD1  ILE  18          HD13      ILE  18  -7.604  -0.891  -2.805
  159   2HD1  ILE  18          HD12      ILE  18  -8.213  -0.533  -1.194
  160   3HD1  ILE  18          HD11      ILE  18  -6.479  -0.650  -1.472
  161    H    PHE  19           HN       PHE  19  -5.136  -5.717  -0.903
  162    HA   PHE  19           HA       PHE  19  -6.813  -6.613   1.346
  163   1HB   PHE  19           HB2      PHE  19  -4.615  -7.695   0.496
  164   2HB   PHE  19           HB1      PHE  19  -3.803  -6.387   1.350
  165    HD1  PHE  19           HD2      PHE  19  -6.874  -8.351   2.227
  166    HD2  PHE  19           HD1      PHE  19  -2.837  -7.314   3.270
  167    HE1  PHE  19           HE2      PHE  19  -7.099  -9.600   4.357
  168    HE2  PHE  19           HE1      PHE  19  -3.069  -8.574   5.395
  169    HZ   PHE  19           HZ       PHE  19  -5.197  -9.703   5.943
  170    H    ILE  20           HN       ILE  20  -7.117  -3.875   0.892
  171    HA   ILE  20           HA       ILE  20  -5.406  -2.340   2.661
  172    HB   ILE  20           HB       ILE  20  -6.381  -1.336   0.615
  173   1HG1  ILE  20          HG12      ILE  20  -7.226   0.728   1.654
  174   2HG1  ILE  20          HG11      ILE  20  -7.496  -0.130   3.169
  175   1HG2  ILE  20          HG22      ILE  20  -8.503  -2.648   0.702
  176   2HG2  ILE  20          HG21      ILE  20  -9.009  -1.679   2.083
  177   3HG2  ILE  20          HG23      ILE  20  -8.790  -0.919   0.510
  178   1HD1  ILE  20          HD13      ILE  20  -5.012  -0.664   3.184
  179   2HD1  ILE  20          HD12      ILE  20  -4.844   0.448   1.830
  180   3HD1  ILE  20          HD11      ILE  20  -5.411   1.037   3.392
  181    H    THR  21           HN       THR  21  -6.272  -1.115   4.436
  182    HA   THR  21           HA       THR  21  -7.962  -2.677   6.219
  183    HB   THR  21           HB       THR  21  -6.195  -1.167   7.046
  184    HG1  THR  21           HG1      THR  21  -8.668  -1.308   7.922
  185   1HG2  THR  21          HG22      THR  21  -7.098   0.540   5.105
  186   2HG2  THR  21          HG21      THR  21  -7.747   1.285   6.565
  187   3HG2  THR  21          HG23      THR  21  -6.012   1.004   6.415
  188    H    ARG  22           HN       ARG  22 -10.037  -2.883   5.289
  189    HA   ARG  22           HA       ARG  22 -11.376  -0.441   4.293
  190   1HB   ARG  22           HB2      ARG  22 -11.434  -2.336   2.794
  191   2HB   ARG  22           HB1      ARG  22 -12.058  -3.383   4.072
  192   1HG   ARG  22           HG2      ARG  22 -13.889  -2.680   2.594
  193   2HG   ARG  22           HG1      ARG  22 -14.109  -1.987   4.196
  194   1HD   ARG  22           HD2      ARG  22 -13.099   0.125   3.428
  195   2HD   ARG  22           HD1      ARG  22 -12.879  -0.562   1.822
  196    HE   ARG  22           HE       ARG  22 -15.600  -0.882   2.368
  197   1HH1  ARG  22          HH11      ARG  22 -13.408   1.767   2.582
  198   2HH1  ARG  22          HH12      ARG  22 -14.545   2.924   1.975
  199   1HH2  ARG  22          HH21      ARG  22 -17.048   0.589   1.437
  200   2HH2  ARG  22          HH22      ARG  22 -16.602   2.260   1.329
  201    H    ARG  23           HN       ARG  23 -11.686   0.411   6.493
  202    HA   ARG  23           HA       ARG  23 -12.795   0.520   8.603
  203   1HB   ARG  23           HB2      ARG  23 -15.435   0.110   7.637
  204   2HB   ARG  23           HB1      ARG  23 -14.607   1.646   7.882
  205   1HG   ARG  23           HG2      ARG  23 -13.588   1.376   5.591
  206   2HG   ARG  23           HG1      ARG  23 -14.616  -0.037   5.358
  207   1HD   ARG  23           HD2      ARG  23 -16.175   2.207   6.328
  208   2HD   ARG  23           HD1      ARG  23 -15.305   2.646   4.861
  209    HE   ARG  23           HE       ARG  23 -16.404   0.154   4.292
  210   1HH1  ARG  23          HH21      ARG  23 -17.617   3.124   5.564
  211   2HH1  ARG  23          HH22      ARG  23 -19.143   2.996   4.757
  212   1HH2  ARG  23          HH11      ARG  23 -18.358   0.016   3.168
  213   2HH2  ARG  23          HH12      ARG  23 -19.564   1.238   3.402
  214    H    ALA  24           HN       ALA  24 -12.047  -1.507   9.540
  215    HA   ALA  24           HA       ALA  24 -13.003  -4.069   9.190
  216   1HB   ALA  24           HB1      ALA  24 -12.426  -2.644  11.798
  217   2HB   ALA  24           HB3      ALA  24 -12.672  -4.386  11.670
  218   3HB   ALA  24           HB2      ALA  24 -11.308  -3.624  10.850
  219    H    ALA  25           HN       ALA  25 -14.560  -1.591  11.258
  220    HA   ALA  25           HA       ALA  25 -16.867  -3.319  11.730
  221   1HB   ALA  25           HB1      ALA  25 -15.786  -1.180  13.080
  222   2HB   ALA  25           HB3      ALA  25 -17.164  -0.434  12.269
  223   3HB   ALA  25           HB2      ALA  25 -17.412  -1.810  13.345
  224    H    ASP  26           HN       ASP  26 -19.105  -2.064  11.304
  225    HA   ASP  26           HA       ASP  26 -19.461  -2.024   8.497
  226   1HB   ASP  26           HB2      ASP  26 -21.082  -1.267  10.861
  227   2HB   ASP  26           HB1      ASP  26 -21.541  -0.477   9.353
  228    H    ALA  27           HN       ALA  27 -18.572   0.497  10.758
  229    HA   ALA  27           HA       ALA  27 -17.864   2.703  10.397
  230   1HB   ALA  27           HB1      ALA  27 -17.410   1.593   7.609
  231   2HB   ALA  27           HB3      ALA  27 -16.823   3.158   8.170
  232   3HB   ALA  27           HB2      ALA  27 -16.222   1.674   8.909
  233    H    HIS  28           HN       HIS  28 -18.535   4.728   9.345
  234    HA   HIS  28           HA       HIS  28 -21.071   4.480   7.796
  235   1HB   HIS  28           HB2      HIS  28 -22.000   6.379   9.088
  236   2HB   HIS  28           HB1      HIS  28 -21.654   5.000  10.130
  237    HD1  HIS  28           HD1      HIS  28 -21.328   8.504  10.183
  238    HD2  HIS  28           HD2      HIS  28 -18.684   5.373  11.088
  239    HE1  HIS  28           HE1      HIS  28 -19.511   9.469  11.687
  240    H    MET  29           HN       MET  29 -18.199   5.071   7.136
  241    HA   MET  29           HA       MET  29 -18.688   7.705   5.821
  242   1HB   MET  29           HB2      MET  29 -16.419   6.827   7.512
  243   2HB   MET  29           HB1      MET  29 -15.976   7.660   6.022
  244   1HG   MET  29           HG2      MET  29 -17.490   9.522   6.620
  245   2HG   MET  29           HG1      MET  29 -17.900   8.697   8.124
  246   1HE   MET  29           HE1      MET  29 -16.620   8.068   9.785
  247   2HE   MET  29           HE3      MET  29 -15.034   8.660  10.301
  248   3HE   MET  29           HE2      MET  29 -16.451   9.697  10.431
  249    H    ALA  30           HN       ALA  30 -15.727   5.913   5.440
  250    HA   ALA  30           HA       ALA  30 -15.755   4.023   3.649
  251   1HB   ALA  30           HB2      ALA  30 -16.919   6.388   2.166
  252   2HB   ALA  30           HB1      ALA  30 -16.199   5.001   1.348
  253   3HB   ALA  30           HB3      ALA  30 -17.625   4.783   2.363
  254    H    ASN  31           HN       ASN  31 -14.466   6.941   4.590
  255    HA   ASN  31           HA       ASN  31 -12.333   7.055   2.562
  256   1HB   ASN  31           HB2      ASN  31 -11.419   8.806   4.252
  257   2HB   ASN  31           HB1      ASN  31 -12.899   9.200   3.379
  258   1HD2  ASN  31          HD22      ASN  31 -13.332   8.034   7.314
  259   2HD2  ASN  31          HD21      ASN  31 -12.118   7.308   6.377
  260    H    LYS  32           HN       LYS  32 -12.893   4.817   4.689
  261    HA   LYS  32           HA       LYS  32 -10.445   4.786   6.259
  262   1HB   LYS  32           HB2      LYS  32 -12.917   3.590   6.489
  263   2HB   LYS  32           HB1      LYS  32 -11.897   2.254   5.960
  264   1HG   LYS  32           HG2      LYS  32 -11.305   4.077   8.308
  265   2HG   LYS  32           HG1      LYS  32 -11.943   2.436   8.426
  266   1HD   LYS  32           HD2      LYS  32  -9.942   1.510   7.441
  267   2HD   LYS  32           HD1      LYS  32  -9.322   3.120   7.071
  268   1HE   LYS  32           HE2      LYS  32  -9.598   3.499   9.666
  269   2HE   LYS  32           HE1      LYS  32  -9.532   1.737   9.726
  270   1HZ   LYS  32           HZ3      LYS  32  -7.518   2.542   8.007
  271   2HZ   LYS  32           HZ2      LYS  32  -7.423   3.578   9.350
  272   3HZ   LYS  32           HZ1      LYS  32  -7.344   1.896   9.565
  273    H    LEU  33           HN       LEU  33 -10.180   4.787   3.227
  274    HA   LEU  33           HA       LEU  33  -8.919   2.096   2.956
  275   1HB   LEU  33           HB2      LEU  33  -9.913   4.084   0.911
  276   2HB   LEU  33           HB1      LEU  33  -8.913   2.707   0.457
  277    HG   LEU  33           HG       LEU  33 -11.643   2.668   1.760
  278   1HD1  LEU  33          HD12      LEU  33 -11.216   2.819  -0.809
  279   2HD1  LEU  33          HD11      LEU  33 -10.685   1.143  -0.664
  280   3HD1  LEU  33          HD13      LEU  33 -12.333   1.587  -0.224
  281   1HD2  LEU  33          HD22      LEU  33  -9.459   0.624   1.713
  282   2HD2  LEU  33          HD21      LEU  33 -10.698   0.913   2.934
  283   3HD2  LEU  33          HD23      LEU  33 -11.109   0.061   1.445
  284    H    GLU  34           HN       GLU  34  -7.036   2.754   4.181
  285    HA   GLU  34           HA       GLU  34  -5.361   4.912   3.078
  286   1HB   GLU  34           HB2      GLU  34  -5.654   3.853   5.600
  287   2HB   GLU  34           HB1      GLU  34  -4.174   3.065   5.058
  288   1HG   GLU  34           HG2      GLU  34  -3.518   5.492   4.265
  289   2HG   GLU  34           HG1      GLU  34  -4.737   5.993   5.438
  290    H    PHE  35           HN       PHE  35  -2.904   3.162   3.760
  291    HA   PHE  35           HA       PHE  35  -3.054   1.234   1.505
  292   1HB   PHE  35           HB2      PHE  35  -1.165   3.578   1.715
  293   2HB   PHE  35           HB1      PHE  35  -0.721   2.134   0.806
  294    HD1  PHE  35           HD2      PHE  35  -2.982   1.231  -0.586
  295    HD2  PHE  35           HD1      PHE  35  -1.930   5.292   0.337
  296    HE1  PHE  35           HE2      PHE  35  -4.339   2.024  -2.502
  297    HE2  PHE  35           HE1      PHE  35  -3.283   6.080  -1.588
  298    HZ   PHE  35           HZ       PHE  35  -4.485   4.437  -3.008
  299    HA   PRO  36           HA       PRO  36  -0.971  -1.165   4.601
  300   1HB   PRO  36           HB2      PRO  36  -0.171  -3.119   2.707
  301   2HB   PRO  36           HB1      PRO  36  -1.614  -3.157   3.721
  302   1HG   PRO  36           HG2      PRO  36  -1.419  -2.593   0.844
  303   2HG   PRO  36           HG1      PRO  36  -2.841  -3.016   1.807
  304   1HD   PRO  36           HD2      PRO  36  -2.250  -0.459   0.788
  305   2HD   PRO  36           HD1      PRO  36  -3.449  -0.836   2.050
  306    H    GLY  37           HN       GLY  37   0.824   0.234   4.975
  307   1HA   GLY  37           HA2      GLY  37   2.866   0.932   3.190
  308   2HA   GLY  37           HA1      GLY  37   3.077   0.850   4.934
  309    H    GLY  38           HN       GLY  38   5.174   0.029   4.777
  310   1HA   GLY  38           HA2      GLY  38   5.691  -2.656   5.004
  311   2HA   GLY  38           HA1      GLY  38   5.774  -2.389   3.258
  312    H    LYS  39           HN       LYS  39   6.754   0.290   3.387
  313    HA   LYS  39           HA       LYS  39   8.711   1.543   3.641
  314   1HB   LYS  39           HB2      LYS  39   8.604   0.955   6.031
  315   2HB   LYS  39           HB1      LYS  39   9.450  -0.554   5.698
  316   1HG   LYS  39           HG2      LYS  39  11.117   0.983   6.452
  317   2HG   LYS  39           HG1      LYS  39  11.325   0.848   4.705
  318   1HD   LYS  39           HD2      LYS  39   9.743   2.896   4.563
  319   2HD   LYS  39           HD1      LYS  39  10.082   3.103   6.281
  320   1HE   LYS  39           HE2      LYS  39  11.673   4.454   5.069
  321   2HE   LYS  39           HE1      LYS  39  12.544   3.065   5.712
  322   1HZ   LYS  39           HZ3      LYS  39  12.198   1.970   3.538
  323   2HZ   LYS  39           HZ2      LYS  39  11.544   3.419   2.942
  324   3HZ   LYS  39           HZ1      LYS  39  13.165   3.359   3.447
  325    H    ILE  40           HN       ILE  40   9.597   1.187   1.602
  326    HA   ILE  40           HA       ILE  40  11.058  -1.309   1.095
  327    HB   ILE  40           HB       ILE  40  10.294  -0.697  -0.943
  328   1HG1  ILE  40          HG12      ILE  40  12.867  -0.476  -0.931
  329   2HG1  ILE  40          HG11      ILE  40  12.002   0.169  -2.322
  330   1HG2  ILE  40          HG22      ILE  40  10.287   2.089   0.144
  331   2HG2  ILE  40          HG21      ILE  40  10.195   1.843  -1.599
  332   3HG2  ILE  40          HG23      ILE  40   8.964   1.153  -0.549
  333   1HD1  ILE  40          HD11      ILE  40  12.108   2.247  -0.375
  334   2HD1  ILE  40          HD13      ILE  40  13.723   1.550  -0.481
  335   3HD1  ILE  40          HD12      ILE  40  12.938   2.180  -1.927
  336    H    GLU  41           HN       GLU  41  13.181  -1.590   1.441
  337    HA   GLU  41           HA       GLU  41  15.103   0.562   1.396
  338   1HB   GLU  41           HB2      GLU  41  15.603   0.738   3.740
  339   2HB   GLU  41           HB1      GLU  41  13.865   0.979   3.562
  340   1HG   GLU  41           HG2      GLU  41  13.538  -1.457   4.074
  341   2HG   GLU  41           HG1      GLU  41  15.265  -1.570   4.419
  342    H    MET  42           HN       MET  42  14.255  -2.717   2.372
  343    HA   MET  42           HA       MET  42  16.815  -3.778   2.876
  344   1HB   MET  42           HB2      MET  42  14.546  -5.138   1.390
  345   2HB   MET  42           HB1      MET  42  15.878  -5.944   2.217
  346   1HG   MET  42           HG2      MET  42  14.902  -4.293   4.188
  347   2HG   MET  42           HG1      MET  42  13.431  -4.751   3.332
  348   1HE   MET  42           HE3      MET  42  15.315  -5.114   5.968
  349   2HE   MET  42           HE2      MET  42  13.878  -5.963   6.530
  350   3HE   MET  42           HE1      MET  42  15.434  -6.790   6.525
  351    H    GLY  43           HN       GLY  43  18.130  -5.166   1.358
  352   1HA   GLY  43           HA2      GLY  43  19.532  -5.151  -0.538
  353   2HA   GLY  43           HA1      GLY  43  17.998  -5.216  -1.416
  354    H    GLU  44           HN       GLU  44  17.852  -3.640  -2.890
  355    HA   GLU  44           HA       GLU  44  18.241  -0.860  -2.182
  356   1HB   GLU  44           HB2      GLU  44  20.111  -0.348  -3.613
  357   2HB   GLU  44           HB1      GLU  44  20.612  -1.687  -2.582
  358   1HG   GLU  44           HG2      GLU  44  19.645  -3.149  -4.572
  359   2HG   GLU  44           HG1      GLU  44  19.965  -1.687  -5.505
  360    H    THR  45           HN       THR  45  16.341  -2.847  -3.467
  361    HA   THR  45           HA       THR  45  15.649  -1.123  -5.783
  362    HB   THR  45           HB       THR  45  15.841  -4.149  -5.877
  363    HG1  THR  45           HG1      THR  45  17.288  -2.259  -7.395
  364   1HG2  THR  45          HG21      THR  45  14.026  -2.777  -7.240
  365   2HG2  THR  45          HG23      THR  45  15.404  -2.405  -8.273
  366   3HG2  THR  45          HG22      THR  45  14.926  -4.082  -8.007
  367    HA   PRO  46           HA       PRO  46  11.626  -1.316  -3.977
  368   1HB   PRO  46           HB2      PRO  46  10.451  -1.581  -6.639
  369   2HB   PRO  46           HB1      PRO  46  10.363  -0.217  -5.516
  370   1HG   PRO  46           HG2      PRO  46  11.940  -0.383  -7.903
  371   2HG   PRO  46           HG1      PRO  46  11.936   0.925  -6.710
  372   1HD   PRO  46           HD2      PRO  46  14.032  -0.972  -7.202
  373   2HD   PRO  46           HD1      PRO  46  13.983   0.281  -5.948
  374    H    GLU  47           HN       GLU  47  12.943  -3.691  -6.138
  375    HA   GLU  47           HA       GLU  47  10.781  -5.611  -5.857
  376   1HB   GLU  47           HB2      GLU  47  13.477  -5.532  -7.101
  377   2HB   GLU  47           HB1      GLU  47  12.944  -7.119  -6.543
  378   1HG   GLU  47           HG2      GLU  47  11.619  -7.305  -8.349
  379   2HG   GLU  47           HG1      GLU  47  10.731  -5.867  -7.841
  380    H    GLN  48           HN       GLN  48  14.110  -6.449  -4.993
  381    HA   GLN  48           HA       GLN  48  13.528  -8.167  -2.912
  382   1HB   GLN  48           HB2      GLN  48  15.836  -6.257  -3.271
  383   2HB   GLN  48           HB1      GLN  48  15.715  -7.278  -1.824
  384   1HG   GLN  48           HG2      GLN  48  15.285  -9.208  -3.548
  385   2HG   GLN  48           HG1      GLN  48  16.065  -8.112  -4.688
  386   1HE2  GLN  48          HE22      GLN  48  18.305 -10.074  -1.943
  387   2HE2  GLN  48          HE21      GLN  48  16.629 -10.317  -2.064
  388    H    ALA  49           HN       ALA  49  13.569  -4.666  -2.768
  389    HA   ALA  49           HA       ALA  49  13.352  -4.446   0.065
  390   1HB   ALA  49           HB1      ALA  49  12.657  -2.646  -2.240
  391   2HB   ALA  49           HB3      ALA  49  12.217  -2.193  -0.593
  392   3HB   ALA  49           HB2      ALA  49  13.912  -2.445  -1.016
  393    H    VAL  50           HN       VAL  50  10.743  -3.952  -2.347
  394    HA   VAL  50           HA       VAL  50   8.667  -4.129  -0.383
  395    HB   VAL  50           HB       VAL  50   8.635  -3.139  -2.789
  396   1HG1  VAL  50          HG12      VAL  50   7.756  -5.996  -3.316
  397   2HG1  VAL  50          HG11      VAL  50   7.627  -4.657  -4.455
  398   3HG1  VAL  50          HG13      VAL  50   9.213  -5.238  -3.952
  399   1HG2  VAL  50          HG23      VAL  50   6.598  -4.246  -1.052
  400   2HG2  VAL  50          HG22      VAL  50   6.569  -2.756  -1.997
  401   3HG2  VAL  50          HG21      VAL  50   6.079  -4.281  -2.737
  402    H    VAL  51           HN       VAL  51   9.786  -6.514  -2.742
  403    HA   VAL  51           HA       VAL  51   8.057  -8.630  -2.107
  404    HB   VAL  51           HB       VAL  51   9.792  -8.388  -4.010
  405   1HG1  VAL  51          HG12      VAL  51  11.714  -8.082  -2.446
  406   2HG1  VAL  51          HG11      VAL  51  11.511  -9.754  -1.924
  407   3HG1  VAL  51          HG13      VAL  51  11.959  -9.399  -3.592
  408   1HG2  VAL  51          HG22      VAL  51   8.326 -10.418  -3.428
  409   2HG2  VAL  51          HG21      VAL  51   9.772 -10.725  -4.392
  410   3HG2  VAL  51          HG23      VAL  51   9.770 -11.089  -2.666
  411    H    ARG  52           HN       ARG  52  11.217  -7.817  -0.678
  412    HA   ARG  52           HA       ARG  52  11.170 -10.046   1.180
  413   1HB   ARG  52           HB2      ARG  52  12.825  -7.503   1.135
  414   2HB   ARG  52           HB1      ARG  52  13.109  -8.851   2.223
  415   1HG   ARG  52           HG2      ARG  52  13.009  -9.239  -0.767
  416   2HG   ARG  52           HG1      ARG  52  14.503  -8.801   0.062
  417   1HD   ARG  52           HD2      ARG  52  12.792 -11.224   0.698
  418   2HD   ARG  52           HD1      ARG  52  14.315 -11.254  -0.194
  419    HE   ARG  52           HE       ARG  52  14.985 -10.011   2.181
  420   1HH1  ARG  52          HH11      ARG  52  15.088 -13.053   1.011
  421   2HH1  ARG  52          HH12      ARG  52  14.866 -13.879   2.517
  422   1HH2  ARG  52          HH21      ARG  52  13.974 -11.017   4.258
  423   2HH2  ARG  52          HH22      ARG  52  14.235 -12.726   4.355
  424    H    GLU  53           HN       GLU  53  10.029  -6.765   1.101
  425    HA   GLU  53           HA       GLU  53   9.420  -6.594   3.954
  426   1HB   GLU  53           HB2      GLU  53   8.451  -4.979   1.580
  427   2HB   GLU  53           HB1      GLU  53   8.083  -4.600   3.263
  428   1HG   GLU  53           HG2      GLU  53  10.943  -5.007   2.554
  429   2HG   GLU  53           HG1      GLU  53  10.177  -3.527   1.985
  430    H    LEU  54           HN       LEU  54   8.156  -8.062   1.190
  431    HA   LEU  54           HA       LEU  54   5.361  -8.101   1.965
  432   1HB   LEU  54           HB2      LEU  54   7.035  -8.905  -0.288
  433   2HB   LEU  54           HB1      LEU  54   5.823 -10.126   0.085
  434    HG   LEU  54           HG       LEU  54   4.791  -8.642  -1.472
  435   1HD1  LEU  54          HD11      LEU  54   3.716  -9.067   0.973
  436   2HD1  LEU  54          HD13      LEU  54   3.730  -7.305   0.955
  437   3HD1  LEU  54          HD12      LEU  54   2.876  -8.196  -0.307
  438   1HD2  LEU  54          HD23      LEU  54   5.978  -6.461   0.259
  439   2HD2  LEU  54          HD22      LEU  54   6.300  -6.786  -1.444
  440   3HD2  LEU  54          HD21      LEU  54   4.734  -6.142  -0.949
  441    H    GLN  55           HN       GLN  55   7.895 -10.566   1.673
  442    HA   GLN  55           HA       GLN  55   6.407 -12.618   3.046
  443   1HB   GLN  55           HB2      GLN  55   8.900 -13.527   3.353
  444   2HB   GLN  55           HB1      GLN  55   8.080 -13.598   1.797
  445   1HG   GLN  55           HG2      GLN  55   9.432 -12.027   0.864
  446   2HG   GLN  55           HG1      GLN  55   9.491 -11.053   2.339
  447   1HE2  GLN  55          HE22      GLN  55  12.070 -14.269   2.187
  448   2HE2  GLN  55          HE21      GLN  55  10.508 -14.437   1.544
  449    H    GLU  56           HN       GLU  56   8.908 -10.334   4.148
  450    HA   GLU  56           HA       GLU  56   9.234 -11.417   6.745
  451   1HB   GLU  56           HB2      GLU  56  10.036  -9.152   7.384
  452   2HB   GLU  56           HB1      GLU  56  10.748  -9.718   5.875
  453   1HG   GLU  56           HG2      GLU  56  10.130  -7.602   5.239
  454   2HG   GLU  56           HG1      GLU  56   8.654  -8.461   4.820
  455    H    GLU  57           HN       GLU  57   6.542  -9.658   5.425
  456    HA   GLU  57           HA       GLU  57   5.556  -8.794   8.039
  457   1HB   GLU  57           HB2      GLU  57   4.145  -8.909   5.356
  458   2HB   GLU  57           HB1      GLU  57   3.545  -8.091   6.800
  459   1HG   GLU  57           HG2      GLU  57   6.294  -7.364   6.041
  460   2HG   GLU  57           HG1      GLU  57   5.073  -6.905   4.863
  461    H    VAL  58           HN       VAL  58   3.417 -10.478   5.837
  462    HA   VAL  58           HA       VAL  58   2.372 -12.111   7.997
  463    HB   VAL  58           HB       VAL  58   1.825 -12.030   5.029
  464   1HG1  VAL  58          HG11      VAL  58   1.104 -14.013   6.885
  465   2HG1  VAL  58          HG13      VAL  58  -0.339 -13.031   6.627
  466   3HG1  VAL  58          HG12      VAL  58   0.470 -13.789   5.254
  467   1HG2  VAL  58          HG21      VAL  58   0.414 -10.844   7.430
  468   2HG2  VAL  58          HG23      VAL  58   1.260  -9.954   6.164
  469   3HG2  VAL  58          HG22      VAL  58  -0.228 -10.823   5.787
  470    H    GLY  59           HN       GLY  59   3.212 -13.372   4.754
  471   1HA   GLY  59           HA2      GLY  59   5.398 -14.858   4.954
  472   2HA   GLY  59           HA1      GLY  59   4.420 -15.710   6.142
  473    H    ILE  60           HN       ILE  60   3.094 -14.369   3.121
  474    HA   ILE  60           HA       ILE  60   2.250 -17.119   2.396
  475    HB   ILE  60           HB       ILE  60   0.917 -15.989   0.627
  476   1HG1  ILE  60          HG12      ILE  60   1.359 -13.284   1.618
  477   2HG1  ILE  60          HG11      ILE  60   2.819 -13.999   0.933
  478   1HG2  ILE  60          HG22      ILE  60   0.663 -15.628   3.483
  479   2HG2  ILE  60          HG21      ILE  60  -0.016 -14.243   2.634
  480   3HG2  ILE  60          HG23      ILE  60  -0.605 -15.864   2.279
  481   1HD1  ILE  60          HD12      ILE  60   0.324 -14.430  -0.607
  482   2HD1  ILE  60          HD11      ILE  60   0.947 -12.780  -0.585
  483   3HD1  ILE  60          HD13      ILE  60   1.959 -14.096  -1.181
  484    H    THR  61           HN       THR  61   2.366 -15.975  -0.580
  485    HA   THR  61           HA       THR  61   5.271 -15.977  -0.979
  486    HB   THR  61           HB       THR  61   3.597 -18.377  -1.639
  487    HG1  THR  61           HG1      THR  61   5.893 -19.140  -1.066
  488   1HG2  THR  61          HG21      THR  61   6.028 -17.374  -3.140
  489   2HG2  THR  61          HG23      THR  61   5.557 -19.073  -3.134
  490   3HG2  THR  61          HG22      THR  61   4.475 -17.860  -3.816
  491    HA   PRO  62           HA       PRO  62   3.472 -15.281  -5.338
  492   1HB   PRO  62           HB2      PRO  62   0.659 -15.546  -5.460
  493   2HB   PRO  62           HB1      PRO  62   1.857 -16.624  -6.185
  494   1HG   PRO  62           HG2      PRO  62   0.168 -17.096  -3.852
  495   2HG   PRO  62           HG1      PRO  62   1.189 -18.243  -4.726
  496   1HD   PRO  62           HD2      PRO  62   1.703 -17.126  -2.157
  497   2HD   PRO  62           HD1      PRO  62   2.800 -18.113  -3.143
  498    H    GLN  63           HN       GLN  63   1.685 -13.667  -6.240
  499    HA   GLN  63           HA       GLN  63   0.069 -11.929  -5.002
  500   1HB   GLN  63           HB2      GLN  63   1.576 -10.092  -4.117
  501   2HB   GLN  63           HB1      GLN  63   1.505 -11.534  -3.118
  502   1HG   GLN  63           HG2      GLN  63   3.652 -12.164  -3.622
  503   2HG   GLN  63           HG1      GLN  63   3.603 -11.446  -5.233
  504   1HE2  GLN  63          HE22      GLN  63   3.981  -8.067  -3.516
  505   2HE2  GLN  63          HE21      GLN  63   2.690  -8.772  -4.356
  506    H    HIS  64           HN       HIS  64   2.822 -12.387  -7.026
  507    HA   HIS  64           HA       HIS  64   3.492 -11.343  -9.026
  508   1HB   HIS  64           HB2      HIS  64   0.838 -12.080  -9.143
  509   2HB   HIS  64           HB1      HIS  64   0.799 -10.398  -9.681
  510    HD1  HIS  64           HD1      HIS  64   3.171  -9.963 -11.346
  511    HD2  HIS  64           HD2      HIS  64   1.179 -13.658 -11.383
  512    HE1  HIS  64           HE1      HIS  64   3.793 -11.128 -13.528
  513    H    PHE  65           HN       PHE  65   3.979  -9.667  -6.951
  514    HA   PHE  65           HA       PHE  65   2.735  -7.187  -6.822
  515   1HB   PHE  65           HB2      PHE  65   4.805  -6.294  -5.990
  516   2HB   PHE  65           HB1      PHE  65   4.661  -7.954  -5.433
  517    HD1  PHE  65           HD1      PHE  65   5.334  -8.967  -8.459
  518    HD2  PHE  65           HD2      PHE  65   7.245  -6.426  -5.567
  519    HE1  PHE  65           HE1      PHE  65   7.535  -9.492  -9.451
  520    HE2  PHE  65           HE2      PHE  65   9.446  -6.952  -6.567
  521    HZ   PHE  65           HZ       PHE  65   9.594  -8.484  -8.510
  522    H    SER  66           HN       SER  66   3.000  -5.209  -7.881
  523    HA   SER  66           HA       SER  66   4.586  -5.080 -10.360
  524   1HB   SER  66           HB2      SER  66   1.592  -5.260 -10.268
  525   2HB   SER  66           HB1      SER  66   2.337  -4.226 -11.476
  526    HG   SER  66           HG       SER  66   3.723  -6.395 -11.583
  527    H    LEU  67           HN       LEU  67   5.280  -2.955 -10.619
  528    HA   LEU  67           HA       LEU  67   4.882  -1.030  -8.586
  529   1HB   LEU  67           HB2      LEU  67   6.589  -1.181 -10.626
  530   2HB   LEU  67           HB1      LEU  67   5.435  -0.077 -11.361
  531    HG   LEU  67           HG       LEU  67   7.155   0.322  -8.933
  532   1HD1  LEU  67          HD12      LEU  67   6.472   1.766 -11.480
  533   2HD1  LEU  67          HD11      LEU  67   7.156   2.653 -10.117
  534   3HD1  LEU  67          HD13      LEU  67   8.058   1.324 -10.847
  535   1HD2  LEU  67          HD21      LEU  67   4.540   1.747  -9.531
  536   2HD2  LEU  67          HD23      LEU  67   4.895   0.776  -8.103
  537   3HD2  LEU  67          HD22      LEU  67   5.735   2.303  -8.360
  538    H    PHE  68           HN       PHE  68   3.729  -0.528 -11.896
  539    HA   PHE  68           HA       PHE  68   1.640   0.154 -12.701
  540   1HB   PHE  68           HB2      PHE  68  -0.050  -0.539 -11.400
  541   2HB   PHE  68           HB1      PHE  68   0.996  -0.619 -10.004
  542    HD1  PHE  68           HD1      PHE  68  -1.346   1.497 -11.917
  543    HD2  PHE  68           HD2      PHE  68   1.038   1.179  -8.357
  544    HE1  PHE  68           HE1      PHE  68  -2.544   3.435 -10.943
  545    HE2  PHE  68           HE2      PHE  68  -0.161   3.120  -7.384
  546    HZ   PHE  68           HZ       PHE  68  -1.954   4.246  -8.676
  547    H    GLU  69           HN       GLU  69   2.712   1.926  -9.786
  548    HA   GLU  69           HA       GLU  69   3.777   4.186 -10.835
  549   1HB   GLU  69           HB2      GLU  69   1.968   4.650 -12.336
  550   2HB   GLU  69           HB1      GLU  69   0.763   4.382 -11.080
  551   1HG   GLU  69           HG2      GLU  69   0.833   6.575 -10.582
  552   2HG   GLU  69           HG1      GLU  69   2.528   6.406 -10.132
  553    H    LYS  70           HN       LYS  70   4.273   5.600  -9.172
  554    HA   LYS  70           HA       LYS  70   2.642   5.344  -6.680
  555   1HB   LYS  70           HB2      LYS  70   5.179   5.943  -5.774
  556   2HB   LYS  70           HB1      LYS  70   4.445   4.344  -5.749
  557   1HG   LYS  70           HG2      LYS  70   6.508   4.005  -6.836
  558   2HG   LYS  70           HG1      LYS  70   5.360   4.108  -8.161
  559   1HD   LYS  70           HD2      LYS  70   7.315   5.483  -8.669
  560   2HD   LYS  70           HD1      LYS  70   5.915   6.526  -8.414
  561   1HE   LYS  70           HE2      LYS  70   6.795   7.452  -6.529
  562   2HE   LYS  70           HE1      LYS  70   7.449   5.913  -5.966
  563   1HZ   LYS  70           HZ2      LYS  70   8.665   7.153  -8.323
  564   2HZ   LYS  70           HZ1      LYS  70   9.011   7.826  -6.800
  565   3HZ   LYS  70           HZ3      LYS  70   9.377   6.200  -7.111
  566    H    LEU  71           HN       LEU  71   3.680   7.200  -5.097
  567    HA   LEU  71           HA       LEU  71   3.738   9.694  -6.737
  568   1HB   LEU  71           HB2      LEU  71   2.528  10.782  -4.796
  569   2HB   LEU  71           HB1      LEU  71   1.574   9.615  -5.704
  570    HG   LEU  71           HG       LEU  71   2.030   7.891  -4.000
  571   1HD1  LEU  71          HD12      LEU  71   3.792  10.055  -2.891
  572   2HD1  LEU  71          HD11      LEU  71   2.989   8.965  -1.762
  573   3HD1  LEU  71          HD13      LEU  71   4.081   8.317  -2.986
  574   1HD2  LEU  71          HD23      LEU  71   0.537  10.331  -3.621
  575   2HD2  LEU  71          HD22      LEU  71   0.135   8.700  -3.084
  576   3HD2  LEU  71          HD21      LEU  71   1.117   9.748  -2.061
  577    H    GLU  72           HN       GLU  72   4.243  11.507  -4.802
  578    HA   GLU  72           HA       GLU  72   6.401  10.610  -3.048
  579   1HB   GLU  72           HB2      GLU  72   7.201  11.187  -5.586
  580   2HB   GLU  72           HB1      GLU  72   7.286  12.791  -4.854
  581   1HG   GLU  72           HG2      GLU  72   8.904  12.146  -3.300
  582   2HG   GLU  72           HG1      GLU  72   8.459  10.439  -3.386
  583    H    TYR  73           HN       TYR  73   4.833  11.493  -1.563
  584    HA   TYR  73           HA       TYR  73   4.100  14.312  -1.727
  585   1HB   TYR  73           HB2      TYR  73   2.979  12.146  -0.485
  586   2HB   TYR  73           HB1      TYR  73   3.832  12.895   0.865
  587    HD1  TYR  73           HD2      TYR  73   3.688  15.770   0.065
  588    HD2  TYR  73           HD1      TYR  73   0.719  12.669  -0.052
  589    HE1  TYR  73           HE2      TYR  73   1.897  17.475   0.241
  590    HE2  TYR  73           HE1      TYR  73  -1.072  14.371   0.126
  591    HH   TYR  73           HH       TYR  73  -1.202  16.805   1.095
  592    H    GLU  74           HN       GLU  74   5.785  15.713  -1.465
  593    HA   GLU  74           HA       GLU  74   7.961  15.032   0.378
  594   1HB   GLU  74           HB2      GLU  74   7.567  16.857  -1.877
  595   2HB   GLU  74           HB1      GLU  74   8.407  17.623  -0.528
  596   1HG   GLU  74           HG2      GLU  74  10.219  16.198  -0.664
  597   2HG   GLU  74           HG1      GLU  74   9.259  14.869  -1.317
  598    H    PHE  75           HN       PHE  75   8.687  17.428   1.443
  599    HA   PHE  75           HA       PHE  75   6.379  18.735   2.665
  600   1HB   PHE  75           HB2      PHE  75   7.934  16.599   4.027
  601   2HB   PHE  75           HB1      PHE  75   7.547  18.015   4.996
  602    HD1  PHE  75           HD1      PHE  75   4.961  18.872   4.471
  603    HD2  PHE  75           HD2      PHE  75   6.445  14.852   4.186
  604    HE1  PHE  75           HE1      PHE  75   2.658  18.000   4.763
  605    HE2  PHE  75           HE2      PHE  75   4.143  13.980   4.479
  606    HZ   PHE  75           HZ       PHE  75   2.249  15.554   4.769
  607    HA   PRO  76           HA       PRO  76   9.050  22.138   3.369
  608   1HB   PRO  76           HB2      PRO  76   8.900  22.050   6.281
  609   2HB   PRO  76           HB1      PRO  76   8.200  23.240   5.171
  610   1HG   PRO  76           HG2      PRO  76   6.814  21.181   6.607
  611   2HG   PRO  76           HG1      PRO  76   6.133  22.296   5.413
  612   1HD   PRO  76           HD2      PRO  76   6.569  19.483   5.124
  613   2HD   PRO  76           HD1      PRO  76   5.965  20.609   3.895
  614    H    ASP  77           HN       ASP  77   9.508  19.259   5.308
  615    HA   ASP  77           HA       ASP  77  12.383  19.260   4.819
  616   1HB   ASP  77           HB2      ASP  77  11.273  20.232   7.373
  617   2HB   ASP  77           HB1      ASP  77  12.437  18.920   7.562
  618    H    ARG  78           HN       ARG  78  10.271  17.586   4.103
  619    HA   ARG  78           HA       ARG  78  11.077  15.078   5.435
  620   1HB   ARG  78           HB2      ARG  78   8.607  16.488   5.959
  621   2HB   ARG  78           HB1      ARG  78   8.265  14.929   5.194
  622   1HG   ARG  78           HG2      ARG  78   8.425  14.211   7.360
  623   2HG   ARG  78           HG1      ARG  78  10.132  14.119   6.942
  624   1HD   ARG  78           HD2      ARG  78  10.686  15.860   8.291
  625   2HD   ARG  78           HD1      ARG  78   9.256  16.786   7.839
  626    HE   ARG  78           HE       ARG  78   9.443  15.576  10.286
  627   1HH1  ARG  78          HH21      ARG  78   7.081  16.072   7.979
  628   2HH1  ARG  78          HH22      ARG  78   5.948  14.934   8.629
  629   1HH2  ARG  78          HH11      ARG  78   8.186  13.609  10.920
  630   2HH2  ARG  78          HH12      ARG  78   6.573  13.540  10.291
  631    H    HIS  79           HN       HIS  79  11.951  14.445   3.373
  632    HA   HIS  79           HA       HIS  79  10.233  14.528   0.988
  633   1HB   HIS  79           HB2      HIS  79  12.931  13.207   1.428
  634   2HB   HIS  79           HB1      HIS  79  12.145  13.459  -0.132
  635    HD1  HIS  79           HD1      HIS  79  14.601  14.825  -0.384
  636    HD2  HIS  79           HD2      HIS  79  11.551  16.585   1.903
  637    HE1  HIS  79           HE1      HIS  79  15.148  17.309  -0.187
  638    H    ILE  80           HN       ILE  80   8.526  13.076   1.101
  639    HA   ILE  80           HA       ILE  80   9.214  10.288   1.937
  640    HB   ILE  80           HB       ILE  80   6.575  11.780   2.079
  641   1HG1  ILE  80          HG12      ILE  80   6.759  11.639   4.406
  642   2HG1  ILE  80          HG11      ILE  80   7.848  10.262   4.343
  643   1HG2  ILE  80          HG21      ILE  80   7.044   9.000   1.622
  644   2HG2  ILE  80          HG23      ILE  80   6.454   9.188   3.267
  645   3HG2  ILE  80          HG22      ILE  80   5.512   9.815   1.917
  646   1HD1  ILE  80          HD11      ILE  80   8.648  13.020   3.400
  647   2HD1  ILE  80          HD13      ILE  80   8.895  12.466   5.054
  648   3HD1  ILE  80          HD12      ILE  80   9.699  11.639   3.723
  649    H    THR  81           HN       THR  81   8.775   8.651   0.556
  650    HA   THR  81           HA       THR  81   7.499   9.319  -2.064
  651    HB   THR  81           HB       THR  81   9.164   6.862  -1.677
  652    HG1  THR  81           HG1      THR  81  10.072   9.522  -1.699
  653   1HG2  THR  81          HG21      THR  81   7.876   8.062  -3.804
  654   2HG2  THR  81          HG23      THR  81   9.545   8.584  -4.026
  655   3HG2  THR  81          HG22      THR  81   9.163   6.864  -3.942
  656    H    LEU  82           HN       LEU  82   6.585   7.005  -2.969
  657    HA   LEU  82           HA       LEU  82   5.571   5.292  -0.832
  658   1HB   LEU  82           HB2      LEU  82   4.119   7.543  -1.175
  659   2HB   LEU  82           HB1      LEU  82   3.352   6.505  -2.379
  660    HG   LEU  82           HG       LEU  82   3.473   4.748  -0.359
  661   1HD1  LEU  82          HD11      LEU  82   4.448   6.978   0.902
  662   2HD1  LEU  82          HD13      LEU  82   2.731   7.081   1.289
  663   3HD1  LEU  82          HD12      LEU  82   3.648   5.639   1.727
  664   1HD2  LEU  82          HD22      LEU  82   1.497   6.646  -1.375
  665   2HD2  LEU  82          HD21      LEU  82   1.293   4.951  -0.929
  666   3HD2  LEU  82          HD23      LEU  82   1.190   6.205   0.306
  667    H    TRP  83           HN       TRP  83   6.884   3.980  -2.454
  668    HA   TRP  83           HA       TRP  83   6.084   3.469  -5.108
  669   1HB   TRP  83           HB2      TRP  83   7.058   1.454  -3.055
  670   2HB   TRP  83           HB1      TRP  83   7.036   1.201  -4.800
  671    HD1  TRP  83           HD1      TRP  83   8.728   3.325  -2.103
  672    HE1  TRP  83           HE1      TRP  83  10.968   4.253  -3.042
  673    HE3  TRP  83           HE3      TRP  83   8.321   1.765  -6.947
  674    HZ2  TRP  83           HZ2      TRP  83  12.358   4.300  -5.545
  675    HZ3  TRP  83           HZ3      TRP  83  10.112   2.261  -8.586
  676    HH2  TRP  83           HH2      TRP  83  12.130   3.525  -7.890
  677    H    PHE  84           HN       PHE  84   4.265   2.524  -5.984
  678    HA   PHE  84           HA       PHE  84   2.354   1.248  -4.068
  679   1HB   PHE  84           HB2      PHE  84   1.991   2.891  -6.545
  680   2HB   PHE  84           HB1      PHE  84   0.776   1.674  -6.155
  681    HD1  PHE  84           HD2      PHE  84   2.477   4.726  -4.922
  682    HD2  PHE  84           HD1      PHE  84  -0.701   1.911  -4.273
  683    HE1  PHE  84           HE2      PHE  84   1.501   6.223  -3.205
  684    HE2  PHE  84           HE1      PHE  84  -1.674   3.406  -2.552
  685    HZ   PHE  84           HZ       PHE  84  -0.573   5.562  -2.018
  686    H    TRP  85           HN       TRP  85   3.836  -0.688  -4.434
  687    HA   TRP  85           HA       TRP  85   3.837  -1.952  -7.036
  688   1HB   TRP  85           HB2      TRP  85   4.595  -2.766  -4.251
  689   2HB   TRP  85           HB1      TRP  85   4.398  -4.018  -5.479
  690    HD1  TRP  85           HD1      TRP  85   6.554  -1.015  -4.566
  691    HE1  TRP  85           HE1      TRP  85   8.694  -1.015  -6.028
  692    HE3  TRP  85           HE3      TRP  85   5.374  -4.807  -7.777
  693    HZ2  TRP  85           HZ2      TRP  85   9.730  -2.468  -8.268
  694    HZ3  TRP  85           HZ3      TRP  85   6.954  -5.479  -9.562
  695    HH2  TRP  85           HH2      TRP  85   9.130  -4.315  -9.811
  696    H    LEU  86           HN       LEU  86   1.529  -1.898  -7.594
  697    HA   LEU  86           HA       LEU  86  -0.383  -3.247  -5.902
  698   1HB   LEU  86           HB2      LEU  86  -0.409  -2.238  -8.725
  699   2HB   LEU  86           HB1      LEU  86  -1.669  -3.361  -8.205
  700    HG   LEU  86           HG       LEU  86  -2.456  -1.117  -7.808
  701   1HD1  LEU  86          HD11      LEU  86  -2.418  -3.092  -5.946
  702   2HD1  LEU  86          HD13      LEU  86  -1.660  -1.783  -5.044
  703   3HD1  LEU  86          HD12      LEU  86  -3.269  -1.565  -5.731
  704   1HD2  LEU  86          HD23      LEU  86   0.131  -0.410  -7.574
  705   2HD2  LEU  86          HD22      LEU  86  -1.176   0.581  -6.926
  706   3HD2  LEU  86          HD21      LEU  86  -0.286  -0.509  -5.863
  707    H    VAL  87           HN       VAL  87  -0.612  -5.345  -5.645
  708    HA   VAL  87           HA       VAL  87   0.556  -7.166  -7.710
  709    HB   VAL  87           HB       VAL  87   1.491  -8.426  -6.045
  710   1HG1  VAL  87          HG11      VAL  87   0.732  -5.940  -4.482
  711   2HG1  VAL  87          HG13      VAL  87   1.835  -7.171  -3.867
  712   3HG1  VAL  87          HG12      VAL  87   2.254  -6.252  -5.313
  713   1HG2  VAL  87          HG21      VAL  87  -1.076  -7.948  -4.504
  714   2HG2  VAL  87          HG23      VAL  87  -0.559  -9.437  -5.294
  715   3HG2  VAL  87          HG22      VAL  87   0.276  -8.869  -3.850
  716    H    GLU  88           HN       GLU  88  -0.763  -9.237  -8.009
  717    HA   GLU  88           HA       GLU  88  -3.563  -8.957  -7.046
  718   1HB   GLU  88           HB2      GLU  88  -2.905  -9.160  -9.994
  719   2HB   GLU  88           HB1      GLU  88  -4.513  -9.048  -9.283
  720   1HG   GLU  88           HG2      GLU  88  -4.095  -6.829  -9.903
  721   2HG   GLU  88           HG1      GLU  88  -3.606  -6.834  -8.212
  722    H    ARG  89           HN       ARG  89  -1.567 -11.111  -6.511
  723    HA   ARG  89           HA       ARG  89  -3.350 -13.289  -7.209
  724   1HB   ARG  89           HB2      ARG  89  -2.248 -14.357  -8.892
  725   2HB   ARG  89           HB1      ARG  89  -1.603 -12.751  -9.205
  726   1HG   ARG  89           HG2      ARG  89   0.418 -13.780  -9.058
  727   2HG   ARG  89           HG1      ARG  89   0.165 -13.682  -7.317
  728   1HD   ARG  89           HD2      ARG  89   0.411 -15.940  -7.363
  729   2HD   ARG  89           HD1      ARG  89  -1.238 -15.959  -7.989
  730    HE   ARG  89           HE       ARG  89   0.321 -15.610 -10.252
  731   1HH1  ARG  89          HH21      ARG  89  -0.160 -17.912  -7.743
  732   2HH1  ARG  89          HH22      ARG  89   0.614 -19.206  -8.597
  733   1HH2  ARG  89          HH11      ARG  89   1.497 -17.237 -11.314
  734   2HH2  ARG  89          HH12      ARG  89   1.552 -18.824 -10.621
  735    H    TRP  90           HN       TRP  90  -2.184 -12.193  -4.748
  736    HA   TRP  90           HA       TRP  90  -0.119 -13.860  -3.748
  737   1HB   TRP  90           HB2      TRP  90  -0.773 -13.245  -1.552
  738   2HB   TRP  90           HB1      TRP  90  -1.180 -11.859  -2.548
  739    HD1  TRP  90           HD1      TRP  90  -2.886 -15.033  -1.181
  740    HE1  TRP  90           HE1      TRP  90  -5.364 -14.493  -0.642
  741    HE3  TRP  90           HE3      TRP  90  -3.039 -10.185  -2.766
  742    HZ2  TRP  90           HZ2      TRP  90  -7.137 -12.256  -0.869
  743    HZ3  TRP  90           HZ3      TRP  90  -5.132  -8.871  -2.585
  744    HH2  TRP  90           HH2      TRP  90  -7.178  -9.901  -1.639
  745    H    GLU  91           HN       GLU  91  -0.456 -15.716  -2.158
  746    HA   GLU  91           HA       GLU  91  -2.134 -17.698  -3.493
  747   1HB   GLU  91           HB2      GLU  91  -1.282 -19.232  -1.687
  748   2HB   GLU  91           HB1      GLU  91  -0.011 -18.427  -2.600
  749   1HG   GLU  91           HG2      GLU  91   0.329 -16.812  -0.857
  750   2HG   GLU  91           HG1      GLU  91  -1.094 -17.371   0.019
  751    H    GLY  92           HN       GLY  92  -2.414 -18.653  -0.349
  752   1HA   GLY  92           HA2      GLY  92  -5.244 -18.286  -0.306
  753   2HA   GLY  92           HA1      GLY  92  -4.271 -18.815   1.065
  754    H    GLU  93           HN       GLU  93  -2.672 -16.663   1.598
  755    HA   GLU  93           HA       GLU  93  -4.641 -14.453   2.049
  756   1HB   GLU  93           HB2      GLU  93  -2.377 -15.059   3.941
  757   2HB   GLU  93           HB1      GLU  93  -3.863 -14.162   4.250
  758   1HG   GLU  93           HG2      GLU  93  -4.918 -16.553   3.551
  759   2HG   GLU  93           HG1      GLU  93  -3.388 -17.094   4.244
  760    HA   PRO  94           HA       PRO  94  -1.676 -11.700   0.326
  761   1HB   PRO  94           HB2      PRO  94  -2.331  -9.482   1.934
  762   2HB   PRO  94           HB1      PRO  94  -3.105  -9.926   0.406
  763   1HG   PRO  94           HG2      PRO  94  -4.184 -10.117   3.106
  764   2HG   PRO  94           HG1      PRO  94  -5.025 -10.344   1.572
  765   1HD   PRO  94           HD2      PRO  94  -4.195 -12.361   3.445
  766   2HD   PRO  94           HD1      PRO  94  -5.001 -12.599   1.880
  767    H    TRP  95           HN       TRP  95  -0.402  -9.551   1.672
  768    HA   TRP  95           HA       TRP  95   0.692 -10.122   4.199
  769   1HB   TRP  95           HB2      TRP  95   2.885 -11.064   3.616
  770   2HB   TRP  95           HB1      TRP  95   1.582 -12.153   3.159
  771    HD1  TRP  95           HD1      TRP  95   1.122  -9.890   0.543
  772    HE1  TRP  95           HE1      TRP  95   2.539 -10.413  -1.566
  773    HE3  TRP  95           HE3      TRP  95   4.594 -12.985   2.630
  774    HZ2  TRP  95           HZ2      TRP  95   4.860 -11.982  -2.222
  775    HZ3  TRP  95           HZ3      TRP  95   6.389 -13.982   1.248
  776    HH2  TRP  95           HH2      TRP  95   6.530 -13.480  -1.173
  777    H    GLY  96           HN       GLY  96   0.000  -7.728   3.000
  778   1HA   GLY  96           HA2      GLY  96   2.681  -6.430   2.769
  779   2HA   GLY  96           HA1      GLY  96   1.389  -6.000   1.650
  780    H    LYS  97           HN       LYS  97  -0.033  -6.665   4.566
  781    HA   LYS  97           HA       LYS  97  -0.534  -3.827   5.046
  782   1HB   LYS  97           HB2      LYS  97  -1.706  -5.016   7.183
  783   2HB   LYS  97           HB1      LYS  97  -2.483  -4.834   5.615
  784   1HG   LYS  97           HG2      LYS  97  -2.649  -7.150   6.500
  785   2HG   LYS  97           HG1      LYS  97  -1.777  -7.084   4.970
  786   1HD   LYS  97           HD2      LYS  97  -0.335  -8.414   6.201
  787   2HD   LYS  97           HD1      LYS  97   0.324  -6.827   6.576
  788   1HE   LYS  97           HE2      LYS  97  -0.422  -6.881   8.741
  789   2HE   LYS  97           HE1      LYS  97  -1.902  -7.741   8.312
  790   1HZ   LYS  97           HZ3      LYS  97   0.685  -9.120   8.098
  791   2HZ   LYS  97           HZ2      LYS  97  -0.041  -8.947   9.625
  792   3HZ   LYS  97           HZ1      LYS  97  -0.858  -9.766   8.381
  793    H    GLU  98           HN       GLU  98   1.353  -2.870   5.789
  794    HA   GLU  98           HA       GLU  98   3.257  -3.727   7.605
  795   1HB   GLU  98           HB2      GLU  98   2.047  -1.124   6.916
  796   2HB   GLU  98           HB1      GLU  98   2.829  -1.178   8.496
  797   1HG   GLU  98           HG2      GLU  98   4.157  -2.168   5.966
  798   2HG   GLU  98           HG1      GLU  98   4.349  -0.523   6.574
  799    H    GLY  99           HN       GLY  99   0.989  -1.439   8.994
  800   1HA   GLY  99           HA2      GLY  99   0.518  -3.321  11.241
  801   2HA   GLY  99           HA1      GLY  99   0.568  -1.570  11.432
  802    H    GLN 100           HN       GLN 100  -0.869  -2.167   8.539
  803    HA   GLN 100           HA       GLN 100  -3.516  -1.381   9.418
  804   1HB   GLN 100           HB2      GLN 100  -2.014  -1.490   7.007
  805   2HB   GLN 100           HB1      GLN 100  -3.433  -2.503   6.753
  806   1HG   GLN 100           HG2      GLN 100  -4.266  -0.436   6.137
  807   2HG   GLN 100           HG1      GLN 100  -4.696  -0.459   7.843
  808   1HE2  GLN 100          HE22      GLN 100  -2.984   2.776   7.160
  809   2HE2  GLN 100          HE21      GLN 100  -4.396   2.022   6.603
  810    HA   PRO 101           HA       PRO 101  -5.269  -5.370  10.230
  811   1HB   PRO 101           HB2      PRO 101  -7.720  -4.637   8.834
  812   2HB   PRO 101           HB1      PRO 101  -7.468  -4.839  10.571
  813   1HG   PRO 101           HG2      PRO 101  -7.826  -2.379   9.177
  814   2HG   PRO 101           HG1      PRO 101  -7.393  -2.575  10.878
  815   1HD   PRO 101           HD2      PRO 101  -5.716  -1.653   8.713
  816   2HD   PRO 101           HD1      PRO 101  -5.306  -1.785  10.424
  817    H    GLY 102           HN       GLY 102  -5.385  -3.797   7.115
  818   1HA   GLY 102           HA2      GLY 102  -5.257  -4.603   4.930
  819   2HA   GLY 102           HA1      GLY 102  -4.341  -5.941   5.630
  820    H    GLU 103           HN       GLU 103  -7.205  -5.123   4.048
  821    HA   GLU 103           HA       GLU 103  -8.145  -7.899   4.363
  822   1HB   GLU 103           HB2      GLU 103 -10.530  -7.015   4.808
  823   2HB   GLU 103           HB1      GLU 103  -9.407  -7.044   6.166
  824   1HG   GLU 103           HG2      GLU 103  -8.843  -4.598   5.305
  825   2HG   GLU 103           HG1      GLU 103 -10.474  -4.701   4.635
  826    H    TRP 104           HN       TRP 104  -8.815  -8.608   2.416
  827    HA   TRP 104           HA       TRP 104  -8.610  -7.235   0.035
  828   1HB   TRP 104           HB2      TRP 104 -10.986  -9.048   0.266
  829   2HB   TRP 104           HB1      TRP 104  -9.772  -8.952  -1.008
  830    HD1  TRP 104           HD1      TRP 104  -7.137  -9.332   0.582
  831    HE1  TRP 104           HE1      TRP 104  -6.562 -11.593   1.735
  832    HE3  TRP 104           HE3      TRP 104 -11.839 -11.271   0.975
  833    HZ2  TRP 104           HZ2      TRP 104  -7.986 -13.903   2.683
  834    HZ3  TRP 104           HZ3      TRP 104 -12.207 -13.494   2.002
  835    HH2  TRP 104           HH2      TRP 104 -10.289 -14.811   2.858
  836    H    MET 105           HN       MET 105  -9.873  -5.818  -1.150
  837    HA   MET 105           HA       MET 105 -12.488  -5.000   0.011
  838   1HB   MET 105           HB2      MET 105 -10.354  -3.525   0.619
  839   2HB   MET 105           HB1      MET 105 -10.632  -2.876  -1.001
  840   1HG   MET 105           HG2      MET 105 -12.655  -2.986   1.251
  841   2HG   MET 105           HG1      MET 105 -11.848  -1.540   0.648
  842   1HE   MET 105           HE1      MET 105 -14.451  -3.530   0.957
  843   2HE   MET 105           HE3      MET 105 -15.682  -2.611   0.079
  844   3HE   MET 105           HE2      MET 105 -15.067  -4.123  -0.585
  845    H    SER 106           HN       SER 106 -13.606  -5.874  -1.760
  846    HA   SER 106           HA       SER 106 -12.737  -5.359  -4.498
  847   1HB   SER 106           HB2      SER 106 -14.061  -7.393  -3.714
  848   2HB   SER 106           HB1      SER 106 -15.457  -6.327  -3.583
  849    HG   SER 106           HG       SER 106 -15.631  -6.948  -5.619
  850    H    LEU 107           HN       LEU 107 -12.702  -2.902  -4.036
  851    HA   LEU 107           HA       LEU 107 -15.347  -1.668  -3.867
  852   1HB   LEU 107           HB2      LEU 107 -14.249   0.459  -3.842
  853   2HB   LEU 107           HB1      LEU 107 -13.351  -0.631  -2.810
  854    HG   LEU 107           HG       LEU 107 -12.354   0.976  -4.905
  855   1HD1  LEU 107          HD12      LEU 107 -11.433  -0.833  -2.792
  856   2HD1  LEU 107          HD11      LEU 107 -10.313  -0.707  -4.150
  857   3HD1  LEU 107          HD13      LEU 107 -10.812   0.745  -3.282
  858   1HD2  LEU 107          HD22      LEU 107 -12.270  -1.969  -5.559
  859   2HD2  LEU 107          HD21      LEU 107 -12.712  -0.630  -6.617
  860   3HD2  LEU 107          HD23      LEU 107 -11.037  -0.849  -6.122
  861    H    VAL 108           HN       VAL 108 -13.525  -2.982  -6.329
  862    HA   VAL 108           HA       VAL 108 -13.877  -3.083  -8.629
  863    HB   VAL 108           HB       VAL 108 -16.422  -1.903  -7.582
  864   1HG1  VAL 108          HG13      VAL 108 -15.478  -1.867 -10.434
  865   2HG1  VAL 108          HG12      VAL 108 -17.192  -2.069 -10.065
  866   3HG1  VAL 108          HG11      VAL 108 -16.339  -0.618  -9.534
  867   1HG2  VAL 108          HG23      VAL 108 -15.385  -4.453  -8.305
  868   2HG2  VAL 108          HG22      VAL 108 -16.997  -4.068  -7.701
  869   3HG2  VAL 108          HG21      VAL 108 -16.682  -4.067  -9.436
  870    H    GLY 109           HN       GLY 109 -12.657  -1.894  -9.992
  871   1HA   GLY 109           HA2      GLY 109 -11.384   0.010 -10.656
  872   2HA   GLY 109           HA1      GLY 109 -13.003   0.569 -11.077
  873    H    LEU 110           HN       LEU 110 -10.566   0.571  -8.531
  874    HA   LEU 110           HA       LEU 110 -11.740   1.935  -6.486
  875   1HB   LEU 110           HB2      LEU 110  -9.058   1.644  -7.466
  876   2HB   LEU 110           HB1      LEU 110  -9.311   3.327  -6.955
  877    HG   LEU 110           HG       LEU 110 -10.499   1.401  -5.119
  878   1HD1  LEU 110          HD11      LEU 110  -7.494   1.407  -5.533
  879   2HD1  LEU 110          HD13      LEU 110  -8.321   0.675  -4.158
  880   3HD1  LEU 110          HD12      LEU 110  -8.570   0.033  -5.782
  881   1HD2  LEU 110          HD23      LEU 110  -9.345   4.005  -5.180
  882   2HD2  LEU 110          HD22      LEU 110 -10.203   3.224  -3.854
  883   3HD2  LEU 110          HD21      LEU 110  -8.454   3.046  -3.999
  884    H    ASN 111           HN       ASN 111 -11.685   4.358  -5.954
  885    HA   ASN 111           HA       ASN 111 -11.959   6.080  -8.371
  886   1HB   ASN 111           HB2      ASN 111 -14.155   4.966  -7.396
  887   2HB   ASN 111           HB1      ASN 111 -14.050   6.305  -6.246
  888   1HD2  ASN 111          HD22      ASN 111 -14.868   7.088 -10.193
  889   2HD2  ASN 111          HD21      ASN 111 -14.273   5.563  -9.743
  890    H    ALA 112           HN       ALA 112 -10.803   5.751  -5.213
  891    HA   ALA 112           HA       ALA 112  -9.601   7.338  -3.929
  892   1HB   ALA 112           HB3      ALA 112  -9.365   8.629  -6.146
  893   2HB   ALA 112           HB2      ALA 112 -10.780   9.546  -5.625
  894   3HB   ALA 112           HB1      ALA 112  -9.306   9.576  -4.660
  895    H    ASP 113           HN       ASP 113 -12.948   7.659  -4.836
  896    HA   ASP 113           HA       ASP 113 -13.924   9.437  -2.878
  897   1HB   ASP 113           HB2      ASP 113 -14.963   7.708  -4.832
  898   2HB   ASP 113           HB1      ASP 113 -15.657   7.141  -3.325
  899    H    ASP 114           HN       ASP 114 -13.242   5.985  -2.802
  900    HA   ASP 114           HA       ASP 114 -14.040   5.748   0.020
  901   1HB   ASP 114           HB2      ASP 114 -13.044   3.884  -2.130
  902   2HB   ASP 114           HB1      ASP 114 -13.064   3.368  -0.434
  903    H    PHE 115           HN       PHE 115 -11.265   6.610  -1.757
  904    HA   PHE 115           HA       PHE 115  -9.448   5.799   0.447
  905   1HB   PHE 115           HB2      PHE 115  -9.122   6.383  -2.436
  906   2HB   PHE 115           HB1      PHE 115  -7.805   6.910  -1.390
  907    HD1  PHE 115           HD1      PHE 115  -9.926   3.971  -2.247
  908    HD2  PHE 115           HD2      PHE 115  -6.259   5.359  -0.515
  909    HE1  PHE 115           HE1      PHE 115  -9.110   1.630  -2.106
  910    HE2  PHE 115           HE2      PHE 115  -5.451   3.029  -0.358
  911    HZ   PHE 115           HZ       PHE 115  -6.866   1.159  -1.160
  912    HA   PRO 116           HA       PRO 116  -9.279   9.806   2.195
  913   1HB   PRO 116           HB2      PRO 116  -6.452   9.568   2.736
  914   2HB   PRO 116           HB1      PRO 116  -7.795   9.402   3.869
  915   1HG   PRO 116           HG2      PRO 116  -6.118   7.317   2.848
  916   2HG   PRO 116           HG1      PRO 116  -7.526   7.139   3.904
  917   1HD   PRO 116           HD2      PRO 116  -7.298   6.457   1.102
  918   2HD   PRO 116           HD1      PRO 116  -8.687   6.213   2.180
  919    HA   PRO 117           HA       PRO 117  -7.763  12.321  -1.121
  920   1HB   PRO 117           HB2      PRO 117  -7.622  14.651   0.535
  921   2HB   PRO 117           HB1      PRO 117  -8.913  14.203  -0.588
  922   1HG   PRO 117           HG2      PRO 117  -8.989  14.165   2.303
  923   2HG   PRO 117           HG1      PRO 117 -10.287  13.756   1.173
  924   1HD   PRO 117           HD2      PRO 117  -8.730  11.954   2.800
  925   2HD   PRO 117           HD1      PRO 117 -10.034  11.547   1.666
  926    H    ALA 118           HN       ALA 118  -6.078  11.636   1.751
  927    HA   ALA 118           HA       ALA 118  -3.838  13.395   1.546
  928   1HB   ALA 118           HB1      ALA 118  -4.069  10.592   2.667
  929   2HB   ALA 118           HB3      ALA 118  -2.640  11.608   2.853
  930   3HB   ALA 118           HB2      ALA 118  -4.174  12.108   3.564
  931    H    ASN 119           HN       ASN 119  -4.180  10.021   0.400
  932    HA   ASN 119           HA       ASN 119  -1.702  10.306  -1.179
  933   1HB   ASN 119           HB2      ASN 119  -3.488   8.092  -0.333
  934   2HB   ASN 119           HB1      ASN 119  -2.722   7.891  -1.909
  935   1HD2  ASN 119          HD22      ASN 119  -0.520   7.387   1.426
  936   2HD2  ASN 119          HD21      ASN 119  -2.202   7.606   1.474
  937    H    GLU 120           HN       GLU 120  -3.727  12.093  -2.033
  938    HA   GLU 120           HA       GLU 120  -5.397  11.165  -4.122
  939   1HB   GLU 120           HB2      GLU 120  -4.673  13.641  -3.056
  940   2HB   GLU 120           HB1      GLU 120  -4.243  13.736  -4.759
  941   1HG   GLU 120           HG2      GLU 120  -6.468  14.292  -4.976
  942   2HG   GLU 120           HG1      GLU 120  -6.633  12.542  -5.029
  943    HA   PRO 121           HA       PRO 121  -1.572  12.404  -6.992
  944   1HB   PRO 121           HB2      PRO 121   0.509  11.086  -5.398
  945   2HB   PRO 121           HB1      PRO 121   0.566  12.641  -6.235
  946   1HG   PRO 121           HG2      PRO 121   0.335  12.297  -3.468
  947   2HG   PRO 121           HG1      PRO 121  -0.080  13.778  -4.344
  948   1HD   PRO 121           HD2      PRO 121  -1.851  11.870  -3.053
  949   2HD   PRO 121           HD1      PRO 121  -2.252  13.460  -3.732
  950    H    VAL 122           HN       VAL 122  -1.449   9.356  -5.075
  951    HA   VAL 122           HA       VAL 122  -1.067   7.912  -7.643
  952    HB   VAL 122           HB       VAL 122  -0.587   7.318  -4.785
  953   1HG1  VAL 122          HG11      VAL 122  -2.227   5.556  -5.419
  954   2HG1  VAL 122          HG13      VAL 122  -1.185   5.107  -6.769
  955   3HG1  VAL 122          HG12      VAL 122  -0.625   4.892  -5.111
  956   1HG2  VAL 122          HG22      VAL 122   1.153   7.880  -6.558
  957   2HG2  VAL 122          HG21      VAL 122   1.465   6.413  -5.635
  958   3HG2  VAL 122          HG23      VAL 122   0.811   6.302  -7.268
  959    H    ILE 123           HN       ILE 123  -3.390   8.268  -5.006
  960    HA   ILE 123           HA       ILE 123  -5.218   6.230  -5.846
  961    HB   ILE 123           HB       ILE 123  -5.432   8.719  -4.167
  962   1HG1  ILE 123          HG12      ILE 123  -6.592   6.128  -3.320
  963   2HG1  ILE 123          HG11      ILE 123  -4.850   6.113  -3.602
  964   1HG2  ILE 123          HG21      ILE 123  -7.763   7.116  -5.248
  965   2HG2  ILE 123          HG23      ILE 123  -7.876   8.139  -3.817
  966   3HG2  ILE 123          HG22      ILE 123  -7.501   8.854  -5.385
  967   1HD1  ILE 123          HD13      ILE 123  -4.647   8.127  -2.133
  968   2HD1  ILE 123          HD12      ILE 123  -6.364   7.999  -1.775
  969   3HD1  ILE 123          HD11      ILE 123  -5.261   6.716  -1.280
  970    H    ALA 124           HN       ALA 124  -4.314   9.258  -7.142
  971    HA   ALA 124           HA       ALA 124  -6.684  10.006  -8.546
  972   1HB   ALA 124           HB1      ALA 124  -4.563  11.395  -8.218
  973   2HB   ALA 124           HB3      ALA 124  -3.852  10.431  -9.513
  974   3HB   ALA 124           HB2      ALA 124  -5.265  11.435  -9.835
  975    H    LYS 125           HN       LYS 125  -4.033   7.867  -9.172
  976    HA   LYS 125           HA       LYS 125  -4.751   7.201 -11.891
  977   1HB   LYS 125           HB2      LYS 125  -2.965   5.830  -9.863
  978   2HB   LYS 125           HB1      LYS 125  -3.052   5.405 -11.575
  979   1HG   LYS 125           HG2      LYS 125  -2.377   8.165 -10.525
  980   2HG   LYS 125           HG1      LYS 125  -1.186   6.981 -11.065
  981   1HD   LYS 125           HD2      LYS 125  -3.002   7.051 -13.160
  982   2HD   LYS 125           HD1      LYS 125  -2.895   8.737 -12.652
  983   1HE   LYS 125           HE2      LYS 125  -0.333   7.234 -12.856
  984   2HE   LYS 125           HE1      LYS 125  -1.138   7.647 -14.371
  985   1HZ   LYS 125           HZ1      LYS 125  -1.358   9.956 -13.173
  986   2HZ   LYS 125           HZ3      LYS 125   0.007   9.405 -12.329
  987   3HZ   LYS 125           HZ2      LYS 125   0.053   9.536 -14.023
  988    H    LEU 126           HN       LEU 126  -5.300   5.587  -8.726
  989    HA   LEU 126           HA       LEU 126  -6.563   3.274  -9.889
  990   1HB   LEU 126           HB2      LEU 126  -7.032   4.477  -7.142
  991   2HB   LEU 126           HB1      LEU 126  -7.496   2.856  -7.656
  992    HG   LEU 126           HG       LEU 126  -5.470   2.090  -7.041
  993   1HD1  LEU 126          HD13      LEU 126  -4.841   2.841  -9.436
  994   2HD1  LEU 126          HD12      LEU 126  -4.037   4.202  -8.656
  995   3HD1  LEU 126          HD11      LEU 126  -3.521   2.554  -8.303
  996   1HD2  LEU 126          HD22      LEU 126  -5.684   4.344  -5.635
  997   2HD2  LEU 126          HD21      LEU 126  -4.225   3.356  -5.571
  998   3HD2  LEU 126          HD23      LEU 126  -4.274   4.788  -6.599
  999    H    LYS 127           HN       LYS 127  -7.553   6.508  -9.382
 1000    HA   LYS 127           HA       LYS 127 -10.384   6.235  -9.260
 1001   1HB   LYS 127           HB2      LYS 127  -8.828   8.306 -10.829
 1002   2HB   LYS 127           HB1      LYS 127 -10.442   8.497 -10.119
 1003   1HG   LYS 127           HG2      LYS 127  -8.918   7.702  -7.954
 1004   2HG   LYS 127           HG1      LYS 127  -7.811   8.723  -8.863
 1005   1HD   LYS 127           HD2      LYS 127 -10.602   9.512  -7.989
 1006   2HD   LYS 127           HD1      LYS 127  -9.098  10.084  -7.265
 1007   1HE   LYS 127           HE2      LYS 127  -8.522  10.807  -9.728
 1008   2HE   LYS 127           HE1      LYS 127 -10.271  10.730  -9.950
 1009   1HZ   LYS 127           HZ1      LYS 127  -9.402  12.085  -7.549
 1010   2HZ   LYS 127           HZ3      LYS 127  -8.964  12.861  -8.991
 1011   3HZ   LYS 127           HZ2      LYS 127 -10.599  12.522  -8.672
 1012    H    ARG 128           HN       ARG 128  -8.044   6.153 -11.824
 1013    HA   ARG 128           HA       ARG 128 -10.010   5.859 -13.961
 1014   1HB   ARG 128           HB2      ARG 128  -7.192   5.044 -14.412
 1015   2HB   ARG 128           HB1      ARG 128  -8.216   6.106 -15.371
 1016   1HG   ARG 128           HG2      ARG 128  -7.925   7.656 -13.189
 1017   2HG   ARG 128           HG1      ARG 128  -6.406   6.757 -13.093
 1018   1HD   ARG 128           HD2      ARG 128  -5.548   8.039 -14.722
 1019   2HD   ARG 128           HD1      ARG 128  -6.814   7.500 -15.822
 1020    HE   ARG 128           HE       ARG 128  -8.036   9.457 -14.262
 1021   1HH1  ARG 128          HH21      ARG 128  -4.922   9.434 -15.711
 1022   2HH1  ARG 128          HH22      ARG 128  -5.089  11.005 -16.416
 1023   1HH2  ARG 128          HH11      ARG 128  -8.378  11.412 -15.414
 1024   2HH2  ARG 128          HH12      ARG 128  -7.038  12.122 -16.250
 1025    H    LEU 129           HN       LEU 129  -8.241   3.836 -11.769
 1026    HA   LEU 129           HA       LEU 129  -8.031   1.385 -13.029
 1027   1HB   LEU 129           HB2      LEU 129  -8.016   2.252 -10.373
 1028   2HB   LEU 129           HB1      LEU 129  -9.270   1.014 -10.425
 1029    HG   LEU 129           HG       LEU 129  -7.565  -0.392 -11.741
 1030   1HD1  LEU 129          HD12      LEU 129  -6.084   2.035 -11.328
 1031   2HD1  LEU 129          HD11      LEU 129  -5.271   0.726 -10.469
 1032   3HD1  LEU 129          HD13      LEU 129  -5.584   0.586 -12.199
 1033   1HD2  LEU 129          HD21      LEU 129  -8.257  -0.646  -9.293
 1034   2HD2  LEU 129          HD23      LEU 129  -6.674  -1.299  -9.712
 1035   3HD2  LEU 129          HD22      LEU 129  -6.797   0.253  -8.884
 1036   3HOG  APC 130           H5T      ATP 130   6.091   2.836  10.036
 1037   1H3A  APC 130           H3P      ATP 130   8.686   2.268   7.395
 1038   2H3A  APC 130          H3P'      ATP 130   7.645   2.738   8.758
 1039   1H5*  APC 130           H5'      ATP 130   8.478   4.129   7.005
 1040   2H5*  APC 130          H5''      ATP 130   9.623   5.453   6.718
 1041    H4*  APC 130           H4'      ATP 130   8.777   6.116   9.203
 1042    H3*  APC 130           H3'      ATP 130   6.803   4.240   8.110
 1043   *HO3  APC 130          H3''      ATP 130   7.490   5.392  10.630
 1044    H2*  APC 130          H2''      ATP 130   5.095   5.636   7.772
 1045   *HO2  APC 130           H2'      ATP 130   4.270   6.655   9.438
 1046    H1*  APC 130           H1'      ATP 130   6.344   8.188   8.265
 1047    H8   APC 130           H8       ATP 130   6.029   5.526   5.425
 1048    H2   APC 130           H2       ATP 130   4.542  11.717   6.142
 1049   1HN6  APC 130           H61      ATP 130   3.708   8.275   2.239
 1050   2HN6  APC 130           H62      ATP 130   3.228   9.957   2.220
 1051   1HN1  CON 131          H1N1      ATP 130  11.552   0.440  12.965
 1052   2HN1  CON 131          H2N1      ATP 130  11.449  -0.465  11.695
 1053   3HN1  CON 131          H3N1      ATP 130  11.064  -1.040  13.098
 1054   1HN2  CON 131          H1N2      ATP 130   9.508   0.190  14.774
 1055   2HN2  CON 131          H2N2      ATP 130   8.098   0.855  14.586
 1056   3HN2  CON 131          H3N2      ATP 130   8.269  -0.700  14.439
 1057   1HN3  CON 131          H1N3      ATP 130   8.877   2.942  12.520
 1058   2HN3  CON 131          H2N3      ATP 130  10.277   2.646  11.898
 1059   3HN3  CON 131          H3N3      ATP 130  10.041   2.448  13.435
 1060   1HN4  CON 131          H1N4      ATP 130   9.097  -2.212  12.338
 1061   2HN4  CON 131          H2N4      ATP 130   7.601  -1.767  12.273
 1062   3HN4  CON 131          H3N4      ATP 130   8.464  -1.812  10.969
 1063   1HO1  MO2 132          H1O1      MG  131  10.151  -2.517   6.286
 1064   2HO1  MO2 132          H2O1      MG  131   9.598  -2.050   7.614
 1065   1HO2  MO2 132          H1O2      MG  131   7.355  -5.118   9.062
 1066   2HO2  MO2 132          H2O2      MG  131   8.310  -3.985   9.328
   
  No H/Q in entry =        1066
  Start of MODEL   16
    1   1H    MET   1           HT3      MET   1  14.750  16.673   4.176
    2   2H    MET   1           HT2      MET   1  15.899  16.814   5.421
    3   3H    MET   1           HT1      MET   1  15.787  18.015   4.223
    4    HA   MET   1           HA       MET   1  16.575  16.530   2.544
    5   1HB   MET   1           HB2      MET   1  18.833  16.249   3.316
    6   2HB   MET   1           HB1      MET   1  18.208  17.693   4.114
    7   1HG   MET   1           HG2      MET   1  17.597  16.249   6.085
    8   2HG   MET   1           HG1      MET   1  18.438  14.913   5.297
    9   1HE   MET   1           HE2      MET   1  20.854  15.192   4.318
   10   2HE   MET   1           HE1      MET   1  22.053  15.521   5.566
   11   3HE   MET   1           HE3      MET   1  20.765  14.346   5.862
   12    H    LYS   2           HN       LYS   2  15.920  14.957   5.634
   13    HA   LYS   2           HA       LYS   2  16.790  12.340   5.041
   14   1HB   LYS   2           HB2      LYS   2  15.017  11.597   6.640
   15   2HB   LYS   2           HB1      LYS   2  15.972  12.940   7.264
   16   1HG   LYS   2           HG2      LYS   2  13.692  13.503   7.720
   17   2HG   LYS   2           HG1      LYS   2  14.157  14.484   6.330
   18   1HD   LYS   2           HD2      LYS   2  12.716  13.413   4.940
   19   2HD   LYS   2           HD1      LYS   2  13.095  11.833   5.620
   20   1HE   LYS   2           HE2      LYS   2  11.171  13.894   6.701
   21   2HE   LYS   2           HE1      LYS   2  10.812  12.251   6.170
   22   1HZ   LYS   2           HZ3      LYS   2  12.558  11.670   8.010
   23   2HZ   LYS   2           HZ2      LYS   2  12.079  13.171   8.647
   24   3HZ   LYS   2           HZ1      LYS   2  10.932  11.940   8.409
   25    H    LYS   3           HN       LYS   3  14.867  10.531   4.886
   26    HA   LYS   3           HA       LYS   3  12.786  11.239   2.965
   27   1HB   LYS   3           HB2      LYS   3  14.557  11.077   1.357
   28   2HB   LYS   3           HB1      LYS   3  15.205   9.622   2.116
   29   1HG   LYS   3           HG2      LYS   3  13.885   8.350   0.815
   30   2HG   LYS   3           HG1      LYS   3  12.458   9.141   1.479
   31   1HD   LYS   3           HD2      LYS   3  12.180  10.442  -0.346
   32   2HD   LYS   3           HD1      LYS   3  13.906  10.789  -0.470
   33   1HE   LYS   3           HE2      LYS   3  14.226   8.453  -1.375
   34   2HE   LYS   3           HE1      LYS   3  12.470   8.301  -1.431
   35   1HZ   LYS   3           HZ1      LYS   3  12.448  10.336  -2.824
   36   2HZ   LYS   3           HZ3      LYS   3  14.141  10.272  -2.889
   37   3HZ   LYS   3           HZ2      LYS   3  13.218   9.012  -3.557
   38    H    LEU   4           HN       LEU   4  11.182   9.662   2.930
   39    HA   LEU   4           HA       LEU   4  11.716   7.070   4.287
   40   1HB   LEU   4           HB2      LEU   4  10.795   8.167   6.129
   41   2HB   LEU   4           HB1      LEU   4   9.829   9.242   5.135
   42    HG   LEU   4           HG       LEU   4   8.718   7.339   6.536
   43   1HD1  LEU   4          HD13      LEU   4   8.057   8.731   4.144
   44   2HD1  LEU   4          HD12      LEU   4   7.350   7.118   4.071
   45   3HD1  LEU   4          HD11      LEU   4   6.981   8.186   5.427
   46   1HD2  LEU   4          HD21      LEU   4  10.283   5.732   5.001
   47   2HD2  LEU   4          HD23      LEU   4   8.779   5.214   5.764
   48   3HD2  LEU   4          HD22      LEU   4   8.778   5.733   4.082
   49    H    GLN   5           HN       GLN   5  11.223   5.658   2.634
   50    HA   GLN   5           HA       GLN   5   8.977   6.349   0.810
   51   1HB   GLN   5           HB2      GLN   5  11.006   4.099   0.651
   52   2HB   GLN   5           HB1      GLN   5   9.776   4.450  -0.559
   53   1HG   GLN   5           HG2      GLN   5  11.467   5.683  -1.494
   54   2HG   GLN   5           HG1      GLN   5  10.880   6.906  -0.360
   55   1HE2  GLN   5          HE22      GLN   5  14.598   5.396   0.095
   56   2HE2  GLN   5          HE21      GLN   5  13.626   5.018  -1.244
   57    H    ILE   6           HN       ILE   6   7.440   4.603   0.260
   58    HA   ILE   6           HA       ILE   6   7.016   2.719   2.532
   59    HB   ILE   6           HB       ILE   6   5.155   4.708   1.287
   60   1HG1  ILE   6          HG12      ILE   6   6.312   4.064   3.875
   61   2HG1  ILE   6          HG11      ILE   6   5.521   5.548   3.354
   62   1HG2  ILE   6          HG22      ILE   6   4.330   2.049   2.492
   63   2HG2  ILE   6          HG21      ILE   6   3.228   3.403   2.238
   64   3HG2  ILE   6          HG23      ILE   6   3.996   2.620   0.856
   65   1HD1  ILE   6          HD13      ILE   6   3.995   3.051   4.185
   66   2HD1  ILE   6          HD12      ILE   6   4.390   4.348   5.303
   67   3HD1  ILE   6          HD11      ILE   6   3.339   4.667   3.927
   68    H    ALA   7           HN       ALA   7   7.399   0.757   1.622
   69    HA   ALA   7           HA       ALA   7   6.788   0.257  -1.210
   70   1HB   ALA   7           HB2      ALA   7   8.534  -0.865   0.746
   71   2HB   ALA   7           HB1      ALA   7   7.446  -2.145   0.210
   72   3HB   ALA   7           HB3      ALA   7   8.424  -1.269  -0.966
   73    H    VAL   8           HN       VAL   8   4.413   0.801  -0.472
   74    HA   VAL   8           HA       VAL   8   3.039  -1.383   0.877
   75    HB   VAL   8           HB       VAL   8   2.013   0.696   1.269
   76   1HG1  VAL   8          HG11      VAL   8   2.976   1.310  -1.373
   77   2HG1  VAL   8          HG13      VAL   8   1.270   1.729  -1.255
   78   3HG1  VAL   8          HG12      VAL   8   2.427   2.409  -0.114
   79   1HG2  VAL   8          HG21      VAL   8   0.595  -1.305  -0.047
   80   2HG2  VAL   8          HG23      VAL   8  -0.108   0.048   0.838
   81   3HG2  VAL   8          HG22      VAL   8   0.131   0.165  -0.905
   82    H    GLY   9           HN       GLY   9   2.309  -0.032  -2.380
   83   1HA   GLY   9           HA2      GLY   9   1.630  -1.200  -4.295
   84   2HA   GLY   9           HA1      GLY   9   2.656  -2.528  -3.727
   85    H    ILE  10           HN       ILE  10  -0.430  -0.954  -3.158
   86    HA   ILE  10           HA       ILE  10  -1.691  -2.674  -1.418
   87    HB   ILE  10           HB       ILE  10  -3.405  -2.100  -3.752
   88   1HG1  ILE  10          HG12      ILE  10  -2.085   0.155  -2.210
   89   2HG1  ILE  10          HG11      ILE  10  -1.847  -0.190  -3.929
   90   1HG2  ILE  10          HG23      ILE  10  -4.190  -2.782  -1.486
   91   2HG2  ILE  10          HG22      ILE  10  -3.534  -1.278  -0.839
   92   3HG2  ILE  10          HG21      ILE  10  -4.862  -1.234  -1.999
   93   1HD1  ILE  10          HD13      ILE  10  -4.676   0.012  -3.209
   94   2HD1  ILE  10          HD12      ILE  10  -3.787   1.496  -2.868
   95   3HD1  ILE  10          HD11      ILE  10  -3.786   0.824  -4.498
   96    H    ILE  11           HN       ILE  11  -2.626  -4.703  -1.559
   97    HA   ILE  11           HA       ILE  11  -1.713  -6.266  -3.905
   98    HB   ILE  11           HB       ILE  11  -2.480  -8.219  -2.343
   99   1HG1  ILE  11          HG12      ILE  11  -2.186  -5.928  -0.372
  100   2HG1  ILE  11          HG11      ILE  11  -3.698  -6.751  -0.754
  101   1HG2  ILE  11          HG21      ILE  11  -0.119  -6.421  -1.697
  102   2HG2  ILE  11          HG23      ILE  11  -0.285  -8.093  -1.161
  103   3HG2  ILE  11          HG22      ILE  11  -0.140  -7.729  -2.879
  104   1HD1  ILE  11          HD11      ILE  11  -1.370  -8.420   0.088
  105   2HD1  ILE  11          HD13      ILE  11  -2.220  -7.499   1.328
  106   3HD1  ILE  11          HD12      ILE  11  -3.092  -8.684   0.356
  107    H    ARG  12           HN       ARG  12  -3.258  -5.910  -5.442
  108    HA   ARG  12           HA       ARG  12  -6.116  -5.995  -4.833
  109   1HB   ARG  12           HB2      ARG  12  -4.488  -5.781  -7.374
  110   2HB   ARG  12           HB1      ARG  12  -6.233  -6.025  -7.434
  111   1HG   ARG  12           HG2      ARG  12  -6.519  -4.040  -5.959
  112   2HG   ARG  12           HG1      ARG  12  -4.788  -3.756  -6.046
  113   1HD   ARG  12           HD2      ARG  12  -6.798  -2.847  -7.848
  114   2HD   ARG  12           HD1      ARG  12  -5.060  -2.609  -7.961
  115    HE   ARG  12           HE       ARG  12  -5.417  -5.145  -9.018
  116   1HH1  ARG  12          HH21      ARG  12  -7.782  -2.823  -9.431
  117   2HH1  ARG  12          HH22      ARG  12  -7.654  -2.738 -11.154
  118   1HH2  ARG  12          HH11      ARG  12  -4.800  -4.695 -11.301
  119   2HH2  ARG  12          HH12      ARG  12  -5.966  -3.795 -12.211
  120    H    ASN  13           HN       ASN  13  -7.503  -7.743  -6.206
  121    HA   ASN  13           HA       ASN  13  -5.924 -10.239  -6.382
  122   1HB   ASN  13           HB2      ASN  13  -6.440 -10.334  -4.115
  123   2HB   ASN  13           HB1      ASN  13  -8.068  -9.718  -4.359
  124   1HD2  ASN  13          HD22      ASN  13  -9.449 -12.922  -4.943
  125   2HD2  ASN  13          HD21      ASN  13  -9.730 -11.254  -4.793
  126    H    GLU  14           HN       GLU  14  -9.514  -9.515  -6.373
  127    HA   GLU  14           HA       GLU  14  -9.666 -11.572  -8.502
  128   1HB   GLU  14           HB2      GLU  14 -11.297 -11.572  -6.672
  129   2HB   GLU  14           HB1      GLU  14 -11.843  -9.970  -7.128
  130   1HG   GLU  14           HG2      GLU  14 -13.411 -11.266  -8.247
  131   2HG   GLU  14           HG1      GLU  14 -12.176 -11.123  -9.499
  132    H    ASN  15           HN       ASN  15  -9.970  -8.171  -8.193
  133    HA   ASN  15           HA       ASN  15  -9.751  -7.749 -11.058
  134   1HB   ASN  15           HB2      ASN  15 -12.318  -8.154 -10.414
  135   2HB   ASN  15           HB1      ASN  15 -12.200  -6.482  -9.858
  136   1HD2  ASN  15          HD22      ASN  15 -11.933  -5.126 -13.135
  137   2HD2  ASN  15          HD21      ASN  15 -11.748  -4.814 -11.477
  138    H    ASN  16           HN       ASN  16 -10.660  -6.594  -7.926
  139    HA   ASN  16           HA       ASN  16  -8.493  -4.691  -7.814
  140   1HB   ASN  16           HB2      ASN  16 -10.715  -3.639  -8.961
  141   2HB   ASN  16           HB1      ASN  16 -11.140  -3.442  -7.260
  142   1HD2  ASN  16          HD22      ASN  16  -8.044  -1.421  -6.743
  143   2HD2  ASN  16          HD21      ASN  16  -8.657  -2.866  -6.099
  144    H    GLU  17           HN       GLU  17  -9.506  -7.176  -6.475
  145    HA   GLU  17           HA       GLU  17 -10.641  -6.094  -3.972
  146   1HB   GLU  17           HB2      GLU  17  -9.673  -8.907  -4.498
  147   2HB   GLU  17           HB1      GLU  17 -10.718  -8.364  -3.182
  148   1HG   GLU  17           HG2      GLU  17 -12.257  -7.482  -5.083
  149   2HG   GLU  17           HG1      GLU  17 -11.349  -8.588  -6.109
  150    H    ILE  18           HN       ILE  18  -9.079  -4.703  -3.299
  151    HA   ILE  18           HA       ILE  18  -6.338  -5.635  -2.934
  152    HB   ILE  18           HB       ILE  18  -6.293  -3.283  -1.666
  153   1HG1  ILE  18          HG12      ILE  18  -8.502  -2.875  -3.689
  154   2HG1  ILE  18          HG11      ILE  18  -8.847  -3.158  -1.983
  155   1HG2  ILE  18          HG21      ILE  18  -5.735  -4.269  -4.268
  156   2HG2  ILE  18          HG23      ILE  18  -6.454  -2.671  -4.459
  157   3HG2  ILE  18          HG22      ILE  18  -5.019  -2.881  -3.459
  158   1HD1  ILE  18          HD11      ILE  18  -7.176  -1.240  -1.525
  159   2HD1  ILE  18          HD13      ILE  18  -7.363  -0.852  -3.235
  160   3HD1  ILE  18          HD12      ILE  18  -8.761  -0.803  -2.163
  161    H    PHE  19           HN       PHE  19  -5.274  -5.833  -0.948
  162    HA   PHE  19           HA       PHE  19  -6.970  -6.708   1.292
  163   1HB   PHE  19           HB2      PHE  19  -4.710  -7.748   0.481
  164   2HB   PHE  19           HB1      PHE  19  -3.966  -6.415   1.362
  165    HD1  PHE  19           HD1      PHE  19  -6.738  -8.896   1.918
  166    HD2  PHE  19           HD2      PHE  19  -3.318  -6.879   3.525
  167    HE1  PHE  19           HE1      PHE  19  -6.985 -10.167   4.032
  168    HE2  PHE  19           HE2      PHE  19  -3.574  -8.136   5.646
  169    HZ   PHE  19           HZ       PHE  19  -5.405  -9.782   5.900
  170    H    ILE  20           HN       ILE  20  -7.338  -3.993   0.665
  171    HA   ILE  20           HA       ILE  20  -5.659  -2.310   2.317
  172    HB   ILE  20           HB       ILE  20  -6.695  -1.440   0.267
  173   1HG1  ILE  20          HG12      ILE  20  -7.729   0.603   1.238
  174   2HG1  ILE  20          HG11      ILE  20  -7.805  -0.207   2.801
  175   1HG2  ILE  20          HG21      ILE  20  -9.222  -2.216   1.707
  176   2HG2  ILE  20          HG23      ILE  20  -9.227  -0.999   0.431
  177   3HG2  ILE  20          HG22      ILE  20  -8.715  -2.648   0.075
  178   1HD1  ILE  20          HD11      ILE  20  -5.294  -0.534   2.639
  179   2HD1  ILE  20          HD13      ILE  20  -5.324   0.531   1.235
  180   3HD1  ILE  20          HD12      ILE  20  -5.816   1.137   2.814
  181    H    THR  21           HN       THR  21  -6.465  -1.070   4.092
  182    HA   THR  21           HA       THR  21  -8.073  -2.631   5.945
  183    HB   THR  21           HB       THR  21  -6.289  -1.275   6.822
  184    HG1  THR  21           HG1      THR  21  -8.595  -1.227   7.769
  185   1HG2  THR  21          HG22      THR  21  -7.530   0.801   5.087
  186   2HG2  THR  21          HG21      THR  21  -6.739   1.339   6.568
  187   3HG2  THR  21          HG23      THR  21  -5.828   0.433   5.360
  188    H    ARG  22           HN       ARG  22 -10.093  -2.770   4.751
  189    HA   ARG  22           HA       ARG  22 -11.486  -0.303   4.032
  190   1HB   ARG  22           HB2      ARG  22 -11.749  -2.278   2.631
  191   2HB   ARG  22           HB1      ARG  22 -12.354  -3.209   4.007
  192   1HG   ARG  22           HG2      ARG  22 -14.258  -2.471   2.689
  193   2HG   ARG  22           HG1      ARG  22 -14.250  -1.576   4.209
  194   1HD   ARG  22           HD2      ARG  22 -12.792   0.136   2.814
  195   2HD   ARG  22           HD1      ARG  22 -13.609  -0.621   1.447
  196    HE   ARG  22           HE       ARG  22 -15.673  -0.037   3.194
  197   1HH1  ARG  22          HH11      ARG  22 -13.109   2.032   3.277
  198   2HH1  ARG  22          HH12      ARG  22 -13.921   3.396   2.583
  199   1HH2  ARG  22          HH21      ARG  22 -16.723   1.582   1.642
  200   2HH2  ARG  22          HH22      ARG  22 -15.968   3.140   1.657
  201    H    ARG  23           HN       ARG  23 -11.592   0.693   6.129
  202    HA   ARG  23           HA       ARG  23 -12.346   0.933   8.374
  203   1HB   ARG  23           HB2      ARG  23 -14.971   0.929   8.256
  204   2HB   ARG  23           HB1      ARG  23 -14.056   2.145   7.368
  205   1HG   ARG  23           HG2      ARG  23 -14.515   1.191   5.315
  206   2HG   ARG  23           HG1      ARG  23 -14.659  -0.435   5.984
  207   1HD   ARG  23           HD2      ARG  23 -16.708   1.036   7.219
  208   2HD   ARG  23           HD1      ARG  23 -16.740   1.540   5.527
  209    HE   ARG  23           HE       ARG  23 -16.555  -1.212   5.368
  210   1HH1  ARG  23          HH11      ARG  23 -18.739   1.192   6.475
  211   2HH1  ARG  23          HH12      ARG  23 -20.065   0.094   6.670
  212   1HH2  ARG  23          HH21      ARG  23 -18.211  -2.715   5.840
  213   2HH2  ARG  23          HH22      ARG  23 -19.767  -2.116   6.310
  214    H    ALA  24           HN       ALA  24 -11.369  -1.367   8.767
  215    HA   ALA  24           HA       ALA  24 -12.825  -3.720   8.926
  216   1HB   ALA  24           HB3      ALA  24 -10.389  -3.065   9.785
  217   2HB   ALA  24           HB2      ALA  24 -11.219  -2.968  11.336
  218   3HB   ALA  24           HB1      ALA  24 -11.229  -4.477  10.424
  219    H    ALA  25           HN       ALA  25 -12.685  -1.223  11.497
  220    HA   ALA  25           HA       ALA  25 -14.842  -2.461  13.002
  221   1HB   ALA  25           HB3      ALA  25 -12.923  -0.406  13.443
  222   2HB   ALA  25           HB2      ALA  25 -14.515   0.322  13.653
  223   3HB   ALA  25           HB1      ALA  25 -14.057  -1.088  14.608
  224    H    ASP  26           HN       ASP  26 -16.700  -0.664  13.609
  225    HA   ASP  26           HA       ASP  26 -18.163  -0.351  11.116
  226   1HB   ASP  26           HB2      ASP  26 -19.006  -0.761  13.623
  227   2HB   ASP  26           HB1      ASP  26 -19.088   1.002  13.613
  228    H    ALA  27           HN       ALA  27 -16.804   1.130   9.943
  229    HA   ALA  27           HA       ALA  27 -16.044   3.702  10.988
  230   1HB   ALA  27           HB3      ALA  27 -16.353   2.712   8.135
  231   2HB   ALA  27           HB2      ALA  27 -15.675   4.282   8.563
  232   3HB   ALA  27           HB1      ALA  27 -14.857   2.804   9.065
  233    H    HIS  28           HN       HIS  28 -18.959   2.490   9.430
  234    HA   HIS  28           HA       HIS  28 -20.933   3.626   8.799
  235   1HB   HIS  28           HB2      HIS  28 -21.162   3.947  11.210
  236   2HB   HIS  28           HB1      HIS  28 -20.024   5.294  11.173
  237    HD1  HIS  28           HD1      HIS  28 -23.328   4.360   9.447
  238    HD2  HIS  28           HD2      HIS  28 -21.323   7.717  10.974
  239    HE1  HIS  28           HE1      HIS  28 -24.886   6.358   9.165
  240    H    MET  29           HN       MET  29 -18.238   4.387   7.748
  241    HA   MET  29           HA       MET  29 -19.026   6.900   6.433
  242   1HB   MET  29           HB2      MET  29 -16.640   6.549   8.239
  243   2HB   MET  29           HB1      MET  29 -16.580   7.699   6.910
  244   1HG   MET  29           HG2      MET  29 -19.065   8.009   8.344
  245   2HG   MET  29           HG1      MET  29 -17.717   8.091   9.476
  246   1HE   MET  29           HE3      MET  29 -19.664  10.342   9.070
  247   2HE   MET  29           HE2      MET  29 -18.244  10.596  10.080
  248   3HE   MET  29           HE1      MET  29 -18.677  11.794   8.864
  249    H    ALA  30           HN       ALA  30 -16.663   7.392   5.121
  250    HA   ALA  30           HA       ALA  30 -15.859   4.800   3.922
  251   1HB   ALA  30           HB2      ALA  30 -17.691   5.868   2.567
  252   2HB   ALA  30           HB1      ALA  30 -16.604   7.230   2.288
  253   3HB   ALA  30           HB3      ALA  30 -16.179   5.627   1.688
  254    H    ASN  31           HN       ASN  31 -14.331   6.229   1.846
  255    HA   ASN  31           HA       ASN  31 -12.210   7.166   1.590
  256   1HB   ASN  31           HB2      ASN  31 -11.873   9.200   2.575
  257   2HB   ASN  31           HB1      ASN  31 -13.562   9.002   3.025
  258   1HD2  ASN  31          HD22      ASN  31 -10.662   8.635   5.916
  259   2HD2  ASN  31          HD21      ASN  31 -10.227   8.515   4.281
  260    H    LYS  32           HN       LYS  32 -13.002   4.951   3.837
  261    HA   LYS  32           HA       LYS  32 -10.518   4.868   5.373
  262   1HB   LYS  32           HB2      LYS  32 -13.108   3.920   5.719
  263   2HB   LYS  32           HB1      LYS  32 -12.173   2.462   5.394
  264   1HG   LYS  32           HG2      LYS  32 -11.798   4.480   7.604
  265   2HG   LYS  32           HG1      LYS  32 -12.021   2.736   7.738
  266   1HD   LYS  32           HD2      LYS  32  -9.762   2.814   6.232
  267   2HD   LYS  32           HD1      LYS  32  -9.558   4.287   7.181
  268   1HE   LYS  32           HE2      LYS  32 -10.450   1.857   8.653
  269   2HE   LYS  32           HE1      LYS  32  -8.779   1.880   8.091
  270   1HZ   LYS  32           HZ2      LYS  32  -8.567   4.097   9.147
  271   2HZ   LYS  32           HZ1      LYS  32 -10.114   3.889   9.817
  272   3HZ   LYS  32           HZ3      LYS  32  -8.856   2.840  10.254
  273    H    LEU  33           HN       LEU  33  -9.771   4.797   2.722
  274    HA   LEU  33           HA       LEU  33  -8.953   1.937   2.381
  275   1HB   LEU  33           HB2      LEU  33  -9.922   3.905   0.277
  276   2HB   LEU  33           HB1      LEU  33  -9.020   2.456  -0.173
  277    HG   LEU  33           HG       LEU  33 -11.735   2.650   1.141
  278   1HD1  LEU  33          HD11      LEU  33 -11.098   2.468  -1.450
  279   2HD1  LEU  33          HD13      LEU  33 -10.980   0.756  -1.042
  280   3HD1  LEU  33          HD12      LEU  33 -12.494   1.622  -0.782
  281   1HD2  LEU  33          HD22      LEU  33  -9.663   0.537   1.412
  282   2HD2  LEU  33          HD21      LEU  33 -11.019   0.923   2.470
  283   3HD2  LEU  33          HD23      LEU  33 -11.283  -0.026   1.008
  284    H    GLU  34           HN       GLU  34  -6.960   2.519   3.489
  285    HA   GLU  34           HA       GLU  34  -5.314   4.626   2.225
  286   1HB   GLU  34           HB2      GLU  34  -5.020   2.979   4.734
  287   2HB   GLU  34           HB1      GLU  34  -3.692   3.960   4.115
  288   1HG   GLU  34           HG2      GLU  34  -5.448   5.870   3.998
  289   2HG   GLU  34           HG1      GLU  34  -6.373   4.867   5.120
  290    H    PHE  35           HN       PHE  35  -3.075   2.475   3.392
  291    HA   PHE  35           HA       PHE  35  -2.954   0.687   1.082
  292   1HB   PHE  35           HB2      PHE  35  -0.428   2.007   1.031
  293   2HB   PHE  35           HB1      PHE  35  -1.643   1.949  -0.244
  294    HD1  PHE  35           HD2      PHE  35  -1.165   3.656   3.072
  295    HD2  PHE  35           HD1      PHE  35  -2.406   3.993  -1.025
  296    HE1  PHE  35           HE2      PHE  35  -1.677   6.055   3.427
  297    HE2  PHE  35           HE1      PHE  35  -2.925   6.388  -0.670
  298    HZ   PHE  35           HZ       PHE  35  -2.561   7.422   1.555
  299    HA   PRO  36           HA       PRO  36  -0.807  -1.384   4.422
  300   1HB   PRO  36           HB2      PRO  36  -0.593  -3.791   3.072
  301   2HB   PRO  36           HB1      PRO  36  -2.031  -3.271   3.949
  302   1HG   PRO  36           HG2      PRO  36  -1.597  -3.379   1.007
  303   2HG   PRO  36           HG1      PRO  36  -3.114  -3.424   1.920
  304   1HD   PRO  36           HD2      PRO  36  -2.066  -1.196   0.534
  305   2HD   PRO  36           HD1      PRO  36  -3.414  -1.178   1.696
  306    H    GLY  37           HN       GLY  37   1.300  -0.293   4.264
  307   1HA   GLY  37           HA2      GLY  37   3.281  -1.825   2.666
  308   2HA   GLY  37           HA1      GLY  37   3.202  -0.087   2.394
  309    H    GLY  38           HN       GLY  38   4.952  -2.324   4.005
  310   1HA   GLY  38           HA2      GLY  38   5.325  -0.644   6.432
  311   2HA   GLY  38           HA1      GLY  38   5.850  -2.307   6.268
  312    H    LYS  39           HN       LYS  39   6.459   0.925   5.006
  313    HA   LYS  39           HA       LYS  39   8.398   1.909   4.122
  314   1HB   LYS  39           HB2      LYS  39   8.742   2.026   6.513
  315   2HB   LYS  39           HB1      LYS  39   9.421   0.400   6.531
  316   1HG   LYS  39           HG2      LYS  39  11.409   1.514   6.377
  317   2HG   LYS  39           HG1      LYS  39  11.013   1.579   4.660
  318   1HD   LYS  39           HD2      LYS  39   9.788   3.741   5.151
  319   2HD   LYS  39           HD1      LYS  39  10.533   3.717   6.747
  320   1HE   LYS  39           HE2      LYS  39  12.591   3.209   4.838
  321   2HE   LYS  39           HE1      LYS  39  11.673   4.602   4.263
  322   1HZ   LYS  39           HZ1      LYS  39  12.000   4.878   7.018
  323   2HZ   LYS  39           HZ3      LYS  39  13.519   4.477   6.378
  324   3HZ   LYS  39           HZ2      LYS  39  12.677   5.830   5.785
  325    H    ILE  40           HN       ILE  40   9.541   1.452   2.345
  326    HA   ILE  40           HA       ILE  40  10.583  -1.272   1.880
  327    HB   ILE  40           HB       ILE  40  10.112  -0.591  -0.239
  328   1HG1  ILE  40          HG12      ILE  40  12.735  -0.426   0.070
  329   2HG1  ILE  40          HG11      ILE  40  11.990   0.090  -1.441
  330   1HG2  ILE  40          HG23      ILE  40   8.963   1.437   0.606
  331   2HG2  ILE  40          HG22      ILE  40  10.495   2.300   0.562
  332   3HG2  ILE  40          HG21      ILE  40   9.769   1.712  -0.931
  333   1HD1  ILE  40          HD12      ILE  40  12.107   2.196   0.617
  334   2HD1  ILE  40          HD11      ILE  40  13.689   1.628   0.083
  335   3HD1  ILE  40          HD13      ILE  40  12.540   2.269  -1.090
  336    H    GLU  41           HN       GLU  41  12.672  -1.838   2.379
  337    HA   GLU  41           HA       GLU  41  14.823   0.073   2.395
  338   1HB   GLU  41           HB2      GLU  41  15.083   0.590   4.642
  339   2HB   GLU  41           HB1      GLU  41  13.328   0.587   4.480
  340   1HG   GLU  41           HG2      GLU  41  13.656  -2.004   5.071
  341   2HG   GLU  41           HG1      GLU  41  15.106  -1.382   5.857
  342    H    MET  42           HN       MET  42  13.617  -3.122   3.077
  343    HA   MET  42           HA       MET  42  15.687  -4.551   4.152
  344   1HB   MET  42           HB2      MET  42  13.958  -5.162   1.758
  345   2HB   MET  42           HB1      MET  42  15.160  -6.321   2.327
  346   1HG   MET  42           HG2      MET  42  13.475  -5.185   4.463
  347   2HG   MET  42           HG1      MET  42  12.590  -6.151   3.281
  348   1HE   MET  42           HE2      MET  42  12.177  -7.058   5.703
  349   2HE   MET  42           HE1      MET  42  12.017  -8.459   4.646
  350   3HE   MET  42           HE3      MET  42  12.915  -8.591   6.165
  351    H    GLY  43           HN       GLY  43  15.542  -4.370   0.593
  352   1HA   GLY  43           HA2      GLY  43  18.510  -4.400   0.561
  353   2HA   GLY  43           HA1      GLY  43  17.464  -4.754  -0.819
  354    H    GLU  44           HN       GLU  44  17.936  -3.235  -2.303
  355    HA   GLU  44           HA       GLU  44  17.667  -0.377  -1.495
  356   1HB   GLU  44           HB2      GLU  44  19.535   0.206  -3.005
  357   2HB   GLU  44           HB1      GLU  44  20.077  -0.896  -1.737
  358   1HG   GLU  44           HG2      GLU  44  20.022  -2.777  -3.223
  359   2HG   GLU  44           HG1      GLU  44  19.178  -1.850  -4.464
  360    H    THR  45           HN       THR  45  16.444  -2.824  -3.276
  361    HA   THR  45           HA       THR  45  15.622  -1.025  -5.519
  362    HB   THR  45           HB       THR  45  15.685  -4.053  -5.510
  363    HG1  THR  45           HG1      THR  45  17.551  -2.247  -6.644
  364   1HG2  THR  45          HG22      THR  45  14.169  -2.892  -7.142
  365   2HG2  THR  45          HG21      THR  45  15.583  -2.074  -7.803
  366   3HG2  THR  45          HG23      THR  45  15.448  -3.828  -7.914
  367    HA   PRO  46           HA       PRO  46  11.536  -1.230  -3.871
  368   1HB   PRO  46           HB2      PRO  46  10.453  -1.471  -6.582
  369   2HB   PRO  46           HB1      PRO  46  10.316  -0.125  -5.441
  370   1HG   PRO  46           HG2      PRO  46  11.932  -0.178  -7.771
  371   2HG   PRO  46           HG1      PRO  46  11.989   1.031  -6.478
  372   1HD   PRO  46           HD2      PRO  46  13.945  -1.035  -7.099
  373   2HD   PRO  46           HD1      PRO  46  14.059   0.269  -5.899
  374    H    GLU  47           HN       GLU  47  12.944  -3.610  -5.960
  375    HA   GLU  47           HA       GLU  47  10.748  -5.527  -5.709
  376   1HB   GLU  47           HB2      GLU  47  13.337  -5.407  -7.086
  377   2HB   GLU  47           HB1      GLU  47  13.017  -6.985  -6.361
  378   1HG   GLU  47           HG2      GLU  47  11.312  -7.440  -7.795
  379   2HG   GLU  47           HG1      GLU  47  10.709  -5.782  -7.757
  380    H    GLN  48           HN       GLN  48  14.086  -6.386  -4.891
  381    HA   GLN  48           HA       GLN  48  13.525  -8.107  -2.799
  382   1HB   GLN  48           HB2      GLN  48  15.822  -6.140  -2.998
  383   2HB   GLN  48           HB1      GLN  48  15.719  -7.409  -1.764
  384   1HG   GLN  48           HG2      GLN  48  16.177  -9.077  -3.255
  385   2HG   GLN  48           HG1      GLN  48  15.272  -8.302  -4.557
  386   1HE2  GLN  48          HE22      GLN  48  19.275  -7.707  -4.267
  387   2HE2  GLN  48          HE21      GLN  48  18.449  -8.700  -3.165
  388    H    ALA  49           HN       ALA  49  13.566  -4.611  -2.691
  389    HA   ALA  49           HA       ALA  49  13.394  -4.327   0.137
  390   1HB   ALA  49           HB3      ALA  49  12.487  -2.568  -2.142
  391   2HB   ALA  49           HB2      ALA  49  12.312  -2.098  -0.454
  392   3HB   ALA  49           HB1      ALA  49  13.918  -2.378  -1.127
  393    H    VAL  50           HN       VAL  50  10.730  -3.962  -2.240
  394    HA   VAL  50           HA       VAL  50   8.711  -4.130  -0.194
  395    HB   VAL  50           HB       VAL  50   8.615  -3.105  -2.582
  396   1HG1  VAL  50          HG13      VAL  50   7.743  -5.957  -3.137
  397   2HG1  VAL  50          HG12      VAL  50   7.572  -4.601  -4.249
  398   3HG1  VAL  50          HG11      VAL  50   9.177  -5.173  -3.798
  399   1HG2  VAL  50          HG22      VAL  50   6.658  -4.085  -0.761
  400   2HG2  VAL  50          HG21      VAL  50   6.507  -2.755  -1.909
  401   3HG2  VAL  50          HG23      VAL  50   6.072  -4.392  -2.396
  402    H    VAL  51           HN       VAL  51   9.776  -6.478  -2.621
  403    HA   VAL  51           HA       VAL  51   8.076  -8.610  -1.980
  404    HB   VAL  51           HB       VAL  51   9.786  -8.353  -3.896
  405   1HG1  VAL  51          HG13      VAL  51  11.717  -8.001  -2.361
  406   2HG1  VAL  51          HG12      VAL  51  11.549  -9.672  -1.821
  407   3HG1  VAL  51          HG11      VAL  51  11.974  -9.325  -3.498
  408   1HG2  VAL  51          HG23      VAL  51   8.379 -10.437  -3.166
  409   2HG2  VAL  51          HG22      VAL  51   9.699 -10.645  -4.317
  410   3HG2  VAL  51          HG21      VAL  51   9.934 -11.065  -2.621
  411    H    ARG  52           HN       ARG  52  11.253  -7.800  -0.566
  412    HA   ARG  52           HA       ARG  52  11.228 -10.048   1.263
  413   1HB   ARG  52           HB2      ARG  52  12.836  -7.474   1.241
  414   2HB   ARG  52           HB1      ARG  52  13.114  -8.787   2.369
  415   1HG   ARG  52           HG2      ARG  52  13.032 -10.039  -0.128
  416   2HG   ARG  52           HG1      ARG  52  13.958  -8.567  -0.403
  417   1HD   ARG  52           HD2      ARG  52  15.704  -9.291   0.828
  418   2HD   ARG  52           HD1      ARG  52  14.661  -9.922   2.101
  419    HE   ARG  52           HE       ARG  52  14.317 -11.727   0.038
  420   1HH1  ARG  52          HH21      ARG  52  16.604 -10.854   2.390
  421   2HH1  ARG  52          HH22      ARG  52  17.783 -12.029   1.908
  422   1HH2  ARG  52          HH11      ARG  52  16.007 -13.047  -0.892
  423   2HH2  ARG  52          HH12      ARG  52  17.444 -13.271   0.048
  424    H    GLU  53           HN       GLU  53  10.269  -6.671   1.339
  425    HA   GLU  53           HA       GLU  53   9.549  -6.586   4.136
  426   1HB   GLU  53           HB2      GLU  53   8.595  -4.930   1.787
  427   2HB   GLU  53           HB1      GLU  53   8.220  -4.580   3.474
  428   1HG   GLU  53           HG2      GLU  53  11.084  -5.004   2.948
  429   2HG   GLU  53           HG1      GLU  53  10.399  -3.604   2.121
  430    H    LEU  54           HN       LEU  54   8.276  -8.062   1.374
  431    HA   LEU  54           HA       LEU  54   5.472  -8.067   2.152
  432   1HB   LEU  54           HB2      LEU  54   7.113  -8.910  -0.105
  433   2HB   LEU  54           HB1      LEU  54   5.908 -10.127   0.302
  434    HG   LEU  54           HG       LEU  54   4.947  -8.573  -1.309
  435   1HD1  LEU  54          HD12      LEU  54   3.669  -9.348   0.856
  436   2HD1  LEU  54          HD11      LEU  54   3.785  -7.648   1.301
  437   3HD1  LEU  54          HD13      LEU  54   2.952  -8.114  -0.181
  438   1HD2  LEU  54          HD21      LEU  54   5.962  -6.515   0.662
  439   2HD2  LEU  54          HD23      LEU  54   6.300  -6.631  -1.065
  440   3HD2  LEU  54          HD22      LEU  54   4.702  -6.129  -0.509
  441    H    GLN  55           HN       GLN  55   7.864 -10.656   1.747
  442    HA   GLN  55           HA       GLN  55   6.415 -12.658   3.147
  443   1HB   GLN  55           HB2      GLN  55   9.051 -13.311   3.687
  444   2HB   GLN  55           HB1      GLN  55   8.170 -13.787   2.241
  445   1HG   GLN  55           HG2      GLN  55   9.128 -12.085   0.943
  446   2HG   GLN  55           HG1      GLN  55   9.555 -11.112   2.353
  447   1HE2  GLN  55          HE22      GLN  55  12.263 -13.663   0.878
  448   2HE2  GLN  55          HE21      GLN  55  10.864 -13.190   0.042
  449    H    GLU  56           HN       GLU  56   9.008 -10.504   4.377
  450    HA   GLU  56           HA       GLU  56   9.100 -11.427   7.010
  451   1HB   GLU  56           HB2      GLU  56   9.632  -9.019   7.641
  452   2HB   GLU  56           HB1      GLU  56  10.634  -9.713   6.370
  453   1HG   GLU  56           HG2      GLU  56  10.103  -7.771   5.321
  454   2HG   GLU  56           HG1      GLU  56   8.669  -8.674   4.848
  455    H    GLU  57           HN       GLU  57   6.476  -9.782   5.446
  456    HA   GLU  57           HA       GLU  57   5.243  -8.923   7.950
  457   1HB   GLU  57           HB2      GLU  57   4.585  -8.778   5.054
  458   2HB   GLU  57           HB1      GLU  57   3.214  -8.791   6.167
  459   1HG   GLU  57           HG2      GLU  57   3.663  -6.703   6.911
  460   2HG   GLU  57           HG1      GLU  57   5.382  -7.056   7.066
  461    H    VAL  58           HN       VAL  58   3.273 -10.629   5.650
  462    HA   VAL  58           HA       VAL  58   2.293 -12.388   7.753
  463    HB   VAL  58           HB       VAL  58   1.653 -12.266   4.802
  464   1HG1  VAL  58          HG13      VAL  58   0.986 -14.218   6.638
  465   2HG1  VAL  58          HG12      VAL  58  -0.399 -13.128   6.709
  466   3HG1  VAL  58          HG11      VAL  58   0.080 -13.849   5.171
  467   1HG2  VAL  58          HG22      VAL  58   0.394 -10.936   7.225
  468   2HG2  VAL  58          HG21      VAL  58   1.276 -10.124   5.932
  469   3HG2  VAL  58          HG23      VAL  58  -0.275 -10.892   5.593
  470    H    GLY  59           HN       GLY  59   3.153 -13.419   4.419
  471   1HA   GLY  59           HA2      GLY  59   5.375 -14.845   4.551
  472   2HA   GLY  59           HA1      GLY  59   4.428 -15.790   5.689
  473    H    ILE  60           HN       ILE  60   3.030 -14.387   2.719
  474    HA   ILE  60           HA       ILE  60   2.354 -17.154   1.888
  475    HB   ILE  60           HB       ILE  60   1.091 -16.007   0.030
  476   1HG1  ILE  60          HG12      ILE  60   0.959 -13.392   1.058
  477   2HG1  ILE  60          HG11      ILE  60   2.671 -13.800   0.996
  478   1HG2  ILE  60          HG23      ILE  60   0.535 -15.995   2.845
  479   2HG2  ILE  60          HG22      ILE  60  -0.144 -14.538   2.119
  480   3HG2  ILE  60          HG21      ILE  60  -0.597 -16.125   1.498
  481   1HD1  ILE  60          HD12      ILE  60   1.092 -14.603  -1.372
  482   2HD1  ILE  60          HD11      ILE  60   1.283 -12.866  -1.144
  483   3HD1  ILE  60          HD13      ILE  60   2.705 -13.899  -1.284
  484    H    THR  61           HN       THR  61   2.474 -16.500  -1.036
  485    HA   THR  61           HA       THR  61   5.407 -16.132  -1.337
  486    HB   THR  61           HB       THR  61   3.815 -18.537  -2.163
  487    HG1  THR  61           HG1      THR  61   5.159 -19.397  -0.836
  488   1HG2  THR  61          HG23      THR  61   5.784 -17.142  -3.816
  489   2HG2  THR  61          HG22      THR  61   6.306 -18.774  -3.409
  490   3HG2  THR  61          HG21      THR  61   4.768 -18.522  -4.227
  491    HA   PRO  62           HA       PRO  62   3.645 -15.294  -5.700
  492   1HB   PRO  62           HB2      PRO  62   0.837 -15.611  -5.862
  493   2HB   PRO  62           HB1      PRO  62   2.061 -16.662  -6.584
  494   1HG   PRO  62           HG2      PRO  62   0.380 -17.148  -4.230
  495   2HG   PRO  62           HG1      PRO  62   1.330 -18.303  -5.176
  496   1HD   PRO  62           HD2      PRO  62   1.988 -17.349  -2.605
  497   2HD   PRO  62           HD1      PRO  62   3.061 -18.218  -3.707
  498    H    GLN  63           HN       GLN  63   1.678 -13.746  -6.523
  499    HA   GLN  63           HA       GLN  63   0.044 -12.072  -5.360
  500   1HB   GLN  63           HB2      GLN  63   1.281 -10.245  -4.199
  501   2HB   GLN  63           HB1      GLN  63   1.387 -11.770  -3.334
  502   1HG   GLN  63           HG2      GLN  63   3.632 -11.939  -3.659
  503   2HG   GLN  63           HG1      GLN  63   3.535 -11.336  -5.313
  504   1HE2  GLN  63          HE22      GLN  63   3.323  -7.846  -3.924
  505   2HE2  GLN  63          HE21      GLN  63   2.268  -8.820  -4.824
  506    H    HIS  64           HN       HIS  64   3.010 -12.311  -7.120
  507    HA   HIS  64           HA       HIS  64   3.829 -11.092  -8.959
  508   1HB   HIS  64           HB2      HIS  64   1.429 -12.219  -9.527
  509   2HB   HIS  64           HB1      HIS  64   1.060 -10.530  -9.859
  510    HD1  HIS  64           HD1      HIS  64   4.591 -10.967 -10.527
  511    HD2  HIS  64           HD2      HIS  64   1.056 -11.835 -12.618
  512    HE1  HIS  64           HE1      HIS  64   5.228 -11.298 -12.966
  513    H    PHE  65           HN       PHE  65   4.328  -9.321  -7.300
  514    HA   PHE  65           HA       PHE  65   2.580  -7.054  -7.067
  515   1HB   PHE  65           HB2      PHE  65   4.793  -5.886  -6.406
  516   2HB   PHE  65           HB1      PHE  65   4.230  -7.223  -5.403
  517    HD1  PHE  65           HD1      PHE  65   6.551  -6.329  -8.173
  518    HD2  PHE  65           HD2      PHE  65   5.494  -9.229  -5.186
  519    HE1  PHE  65           HE1      PHE  65   8.655  -7.560  -8.623
  520    HE2  PHE  65           HE2      PHE  65   7.598 -10.460  -5.636
  521    HZ   PHE  65           HZ       PHE  65   9.179  -9.626  -7.354
  522    H    SER  66           HN       SER  66   2.500  -5.169  -8.245
  523    HA   SER  66           HA       SER  66   4.262  -4.964 -10.646
  524   1HB   SER  66           HB2      SER  66   1.340  -5.227 -10.520
  525   2HB   SER  66           HB1      SER  66   1.871  -3.820 -11.432
  526    HG   SER  66           HG       SER  66   3.154  -5.190 -12.689
  527    H    LEU  67           HN       LEU  67   5.047  -2.884 -10.946
  528    HA   LEU  67           HA       LEU  67   4.866  -0.978  -8.860
  529   1HB   LEU  67           HB2      LEU  67   6.536  -1.177 -10.887
  530   2HB   LEU  67           HB1      LEU  67   5.384  -0.124 -11.699
  531    HG   LEU  67           HG       LEU  67   7.339   1.011 -10.465
  532   1HD1  LEU  67          HD12      LEU  67   4.775   1.815 -11.010
  533   2HD1  LEU  67          HD11      LEU  67   4.881   2.127  -9.276
  534   3HD1  LEU  67          HD13      LEU  67   6.039   2.872 -10.379
  535   1HD2  LEU  67          HD21      LEU  67   6.977  -0.506  -8.416
  536   2HD2  LEU  67          HD23      LEU  67   7.239   1.209  -8.102
  537   3HD2  LEU  67          HD22      LEU  67   5.610   0.538  -8.033
  538    H    PHE  68           HN       PHE  68   3.480  -0.589 -12.110
  539    HA   PHE  68           HA       PHE  68   1.400   0.213 -12.793
  540   1HB   PHE  68           HB2      PHE  68  -0.206  -0.392 -11.343
  541   2HB   PHE  68           HB1      PHE  68   0.941  -0.440 -10.017
  542    HD1  PHE  68           HD2      PHE  68  -1.283   1.807 -11.976
  543    HD2  PHE  68           HD1      PHE  68   0.964   1.278  -8.354
  544    HE1  PHE  68           HE2      PHE  68  -2.335   3.841 -11.028
  545    HE2  PHE  68           HE1      PHE  68  -0.090   3.314  -7.404
  546    HZ   PHE  68           HZ       PHE  68  -1.740   4.593  -8.743
  547    H    GLU  69           HN       GLU  69   2.795   2.006 -10.048
  548    HA   GLU  69           HA       GLU  69   3.852   4.216 -11.117
  549   1HB   GLU  69           HB2      GLU  69   2.022   4.738 -12.584
  550   2HB   GLU  69           HB1      GLU  69   0.839   4.514 -11.296
  551   1HG   GLU  69           HG2      GLU  69   1.408   6.530 -10.246
  552   2HG   GLU  69           HG1      GLU  69   2.998   6.589 -11.010
  553    H    LYS  70           HN       LYS  70   4.341   5.716  -9.509
  554    HA   LYS  70           HA       LYS  70   2.835   5.400  -6.946
  555   1HB   LYS  70           HB2      LYS  70   5.073   5.627  -5.813
  556   2HB   LYS  70           HB1      LYS  70   4.870   4.135  -6.720
  557   1HG   LYS  70           HG2      LYS  70   6.037   5.191  -8.652
  558   2HG   LYS  70           HG1      LYS  70   6.324   6.620  -7.658
  559   1HD   LYS  70           HD2      LYS  70   7.165   3.897  -6.685
  560   2HD   LYS  70           HD1      LYS  70   8.194   4.808  -7.792
  561   1HE   LYS  70           HE2      LYS  70   7.249   6.543  -5.691
  562   2HE   LYS  70           HE1      LYS  70   8.007   5.114  -4.988
  563   1HZ   LYS  70           HZ1      LYS  70   9.600   5.884  -7.115
  564   2HZ   LYS  70           HZ3      LYS  70   9.224   7.313  -6.283
  565   3HZ   LYS  70           HZ2      LYS  70   9.954   6.019  -5.459
  566    H    LEU  71           HN       LEU  71   3.691   7.229  -5.364
  567    HA   LEU  71           HA       LEU  71   3.935   9.764  -6.927
  568   1HB   LEU  71           HB2      LEU  71   2.577  10.784  -4.985
  569   2HB   LEU  71           HB1      LEU  71   1.694   9.828  -6.171
  570    HG   LEU  71           HG       LEU  71   1.722   7.890  -4.695
  571   1HD1  LEU  71          HD13      LEU  71   3.574   9.629  -3.083
  572   2HD1  LEU  71          HD12      LEU  71   2.570   8.444  -2.250
  573   3HD1  LEU  71          HD11      LEU  71   3.721   7.916  -3.477
  574   1HD2  LEU  71          HD22      LEU  71   0.152  10.023  -4.371
  575   2HD2  LEU  71          HD21      LEU  71   0.062   8.646  -3.272
  576   3HD2  LEU  71          HD23      LEU  71   0.971  10.084  -2.810
  577    H    GLU  72           HN       GLU  72   4.749  11.567  -5.542
  578    HA   GLU  72           HA       GLU  72   6.376  10.693  -3.226
  579   1HB   GLU  72           HB2      GLU  72   7.671  10.802  -5.553
  580   2HB   GLU  72           HB1      GLU  72   7.661  12.534  -5.214
  581   1HG   GLU  72           HG2      GLU  72   8.628  12.049  -2.957
  582   2HG   GLU  72           HG1      GLU  72   8.757  10.347  -3.413
  583    H    TYR  73           HN       TYR  73   4.925  11.895  -1.938
  584    HA   TYR  73           HA       TYR  73   4.279  14.657  -2.606
  585   1HB   TYR  73           HB2      TYR  73   3.155  12.708  -0.948
  586   2HB   TYR  73           HB1      TYR  73   3.842  13.879   0.182
  587    HD1  TYR  73           HD2      TYR  73   3.324  16.386  -0.251
  588    HD2  TYR  73           HD1      TYR  73   1.116  13.151  -2.014
  589    HE1  TYR  73           HE2      TYR  73   1.431  17.923  -0.700
  590    HE2  TYR  73           HE1      TYR  73  -0.777  14.687  -2.464
  591    HH   TYR  73           HH       TYR  73  -1.070  17.705  -1.042
  592    H    GLU  74           HN       GLU  74   5.827  16.185  -2.392
  593    HA   GLU  74           HA       GLU  74   7.988  15.760  -0.446
  594   1HB   GLU  74           HB2      GLU  74   7.845  16.961  -2.988
  595   2HB   GLU  74           HB1      GLU  74   8.087  18.298  -1.863
  596   1HG   GLU  74           HG2      GLU  74  10.101  17.375  -1.020
  597   2HG   GLU  74           HG1      GLU  74   9.758  15.787  -1.709
  598    H    PHE  75           HN       PHE  75   8.369  17.218   1.273
  599    HA   PHE  75           HA       PHE  75   6.220  19.223   1.745
  600   1HB   PHE  75           HB2      PHE  75   6.923  16.841   3.322
  601   2HB   PHE  75           HB1      PHE  75   6.885  18.316   4.282
  602    HD1  PHE  75           HD2      PHE  75   4.762  19.815   2.682
  603    HD2  PHE  75           HD1      PHE  75   4.946  15.764   4.096
  604    HE1  PHE  75           HE2      PHE  75   2.289  19.713   2.706
  605    HE2  PHE  75           HE1      PHE  75   2.469  15.662   4.121
  606    HZ   PHE  75           HZ       PHE  75   1.141  17.637   3.425
  607    HA   PRO  76           HA       PRO  76   9.185  22.184   3.083
  608   1HB   PRO  76           HB2      PRO  76   8.623  21.988   5.944
  609   2HB   PRO  76           HB1      PRO  76   8.282  23.328   4.835
  610   1HG   PRO  76           HG2      PRO  76   6.405  21.442   5.918
  611   2HG   PRO  76           HG1      PRO  76   6.079  22.729   4.747
  612   1HD   PRO  76           HD2      PRO  76   6.062  19.923   4.261
  613   2HD   PRO  76           HD1      PRO  76   5.903  21.216   3.059
  614    H    ASP  77           HN       ASP  77   8.931  19.375   5.234
  615    HA   ASP  77           HA       ASP  77  11.820  18.886   4.953
  616   1HB   ASP  77           HB2      ASP  77  10.575  19.955   7.407
  617   2HB   ASP  77           HB1      ASP  77  11.549  18.506   7.663
  618    H    ARG  78           HN       ARG  78   9.703  17.481   3.901
  619    HA   ARG  78           HA       ARG  78   9.932  14.912   5.353
  620   1HB   ARG  78           HB2      ARG  78   7.517  16.580   5.188
  621   2HB   ARG  78           HB1      ARG  78   7.264  14.926   4.612
  622   1HG   ARG  78           HG2      ARG  78   6.953  14.493   6.833
  623   2HG   ARG  78           HG1      ARG  78   8.714  14.433   6.852
  624   1HD   ARG  78           HD2      ARG  78   8.779  16.201   8.236
  625   2HD   ARG  78           HD1      ARG  78   7.923  17.174   7.041
  626    HE   ARG  78           HE       ARG  78   6.755  16.555   9.424
  627   1HH1  ARG  78          HH21      ARG  78   5.314  17.467   6.820
  628   2HH1  ARG  78          HH22      ARG  78   4.023  16.314   6.772
  629   1HH2  ARG  78          HH11      ARG  78   5.473  14.195   9.103
  630   2HH2  ARG  78          HH12      ARG  78   4.112  14.462   8.064
  631    H    HIS  79           HN       HIS  79  11.140  14.135   3.536
  632    HA   HIS  79           HA       HIS  79   9.866  14.287   0.867
  633   1HB   HIS  79           HB2      HIS  79  12.558  13.446   1.912
  634   2HB   HIS  79           HB1      HIS  79  12.029  12.874   0.331
  635    HD1  HIS  79           HD1      HIS  79  13.140  15.939   2.181
  636    HD2  HIS  79           HD2      HIS  79  11.710  14.947  -1.639
  637    HE1  HIS  79           HE1      HIS  79  13.567  17.952   0.676
  638    H    ILE  80           HN       ILE  80   8.022  12.898   1.789
  639    HA   ILE  80           HA       ILE  80   8.727  10.102   2.321
  640    HB   ILE  80           HB       ILE  80   5.939  11.226   1.928
  641   1HG1  ILE  80          HG12      ILE  80   6.583  12.522   3.751
  642   2HG1  ILE  80          HG11      ILE  80   6.064  11.045   4.564
  643   1HG2  ILE  80          HG23      ILE  80   7.082   8.639   2.565
  644   2HG2  ILE  80          HG22      ILE  80   6.015   9.195   3.841
  645   3HG2  ILE  80          HG21      ILE  80   5.414   9.061   2.188
  646   1HD1  ILE  80          HD11      ILE  80   8.952  11.449   3.761
  647   2HD1  ILE  80          HD13      ILE  80   8.321  12.066   5.284
  648   3HD1  ILE  80          HD12      ILE  80   8.286  10.339   4.954
  649    H    THR  81           HN       THR  81   7.966   8.342   1.077
  650    HA   THR  81           HA       THR  81   7.150   8.896  -1.721
  651    HB   THR  81           HB       THR  81   9.160   6.749  -1.054
  652    HG1  THR  81           HG1      THR  81   9.706   9.439  -1.773
  653   1HG2  THR  81          HG22      THR  81   8.078   8.102  -3.483
  654   2HG2  THR  81          HG21      THR  81   9.754   7.556  -3.529
  655   3HG2  THR  81          HG23      THR  81   8.459   6.401  -3.220
  656    H    LEU  82           HN       LEU  82   5.961   7.030  -2.609
  657    HA   LEU  82           HA       LEU  82   5.291   4.951  -0.585
  658   1HB   LEU  82           HB2      LEU  82   3.628   7.076  -0.994
  659   2HB   LEU  82           HB1      LEU  82   3.006   5.927  -2.178
  660    HG   LEU  82           HG       LEU  82   3.464   4.380   0.099
  661   1HD1  LEU  82          HD12      LEU  82   3.009   7.158   0.827
  662   2HD1  LEU  82          HD11      LEU  82   1.724   6.117   1.442
  663   3HD1  LEU  82          HD13      LEU  82   3.405   5.786   1.862
  664   1HD2  LEU  82          HD21      LEU  82   1.002   5.646  -1.116
  665   2HD2  LEU  82          HD23      LEU  82   1.579   3.990  -1.303
  666   3HD2  LEU  82          HD22      LEU  82   0.897   4.517   0.235
  667    H    TRP  83           HN       TRP  83   6.753   3.750  -2.168
  668    HA   TRP  83           HA       TRP  83   6.145   3.337  -4.885
  669   1HB   TRP  83           HB2      TRP  83   7.016   1.251  -2.858
  670   2HB   TRP  83           HB1      TRP  83   7.092   1.050  -4.608
  671    HD1  TRP  83           HD1      TRP  83   8.689   2.976  -1.734
  672    HE1  TRP  83           HE1      TRP  83  10.918   4.032  -2.541
  673    HE3  TRP  83           HE3      TRP  83   8.362   1.932  -6.723
  674    HZ2  TRP  83           HZ2      TRP  83  12.331   4.378  -5.000
  675    HZ3  TRP  83           HZ3      TRP  83  10.163   2.640  -8.273
  676    HH2  TRP  83           HH2      TRP  83  12.144   3.860  -7.418
  677    H    PHE  84           HN       PHE  84   4.295   2.631  -5.884
  678    HA   PHE  84           HA       PHE  84   2.238   1.264  -4.216
  679   1HB   PHE  84           HB2      PHE  84   2.130   2.821  -6.799
  680   2HB   PHE  84           HB1      PHE  84   0.800   1.771  -6.312
  681    HD1  PHE  84           HD2      PHE  84   2.870   4.660  -5.210
  682    HD2  PHE  84           HD1      PHE  84  -0.758   2.435  -4.653
  683    HE1  PHE  84           HE2      PHE  84   2.026   6.419  -3.684
  684    HE2  PHE  84           HE1      PHE  84  -1.607   4.200  -3.130
  685    HZ   PHE  84           HZ       PHE  84  -0.214   6.194  -2.650
  686    H    TRP  85           HN       TRP  85   3.685  -0.772  -4.518
  687    HA   TRP  85           HA       TRP  85   3.687  -1.940  -7.195
  688   1HB   TRP  85           HB2      TRP  85   4.388  -2.950  -4.441
  689   2HB   TRP  85           HB1      TRP  85   4.290  -4.058  -5.810
  690    HD1  TRP  85           HD1      TRP  85   6.484  -1.477  -4.229
  691    HE1  TRP  85           HE1      TRP  85   8.650  -1.154  -5.621
  692    HE3  TRP  85           HE3      TRP  85   5.188  -4.105  -8.411
  693    HZ2  TRP  85           HZ2      TRP  85   9.653  -1.936  -8.191
  694    HZ3  TRP  85           HZ3      TRP  85   6.764  -4.299 -10.314
  695    HH2  TRP  85           HH2      TRP  85   8.993  -3.220 -10.208
  696    H    LEU  86           HN       LEU  86   1.339  -1.838  -7.710
  697    HA   LEU  86           HA       LEU  86  -0.522  -3.205  -5.950
  698   1HB   LEU  86           HB2      LEU  86  -0.725  -2.132  -8.752
  699   2HB   LEU  86           HB1      LEU  86  -1.978  -3.212  -8.134
  700    HG   LEU  86           HG       LEU  86  -2.750  -1.043  -7.632
  701   1HD1  LEU  86          HD11      LEU  86  -2.623  -2.769  -5.706
  702   2HD1  LEU  86          HD13      LEU  86  -1.348  -1.737  -5.061
  703   3HD1  LEU  86          HD12      LEU  86  -2.973  -1.091  -5.291
  704   1HD2  LEU  86          HD21      LEU  86  -0.150  -0.262  -7.854
  705   2HD2  LEU  86          HD23      LEU  86  -1.422   0.767  -7.196
  706   3HD2  LEU  86          HD22      LEU  86  -0.375  -0.145  -6.108
  707    H    VAL  87           HN       VAL  87  -0.750  -5.306  -5.745
  708    HA   VAL  87           HA       VAL  87   0.426  -7.070  -7.835
  709    HB   VAL  87           HB       VAL  87   1.091  -8.465  -6.167
  710   1HG1  VAL  87          HG13      VAL  87   0.267  -6.101  -4.461
  711   2HG1  VAL  87          HG12      VAL  87   1.347  -7.389  -3.938
  712   3HG1  VAL  87          HG11      VAL  87   1.823  -6.324  -5.259
  713   1HG2  VAL  87          HG21      VAL  87  -1.546  -7.914  -4.769
  714   2HG2  VAL  87          HG23      VAL  87  -1.161  -9.327  -5.752
  715   3HG2  VAL  87          HG22      VAL  87  -0.342  -9.075  -4.211
  716    H    GLU  88           HN       GLU  88  -0.925  -9.314  -7.883
  717    HA   GLU  88           HA       GLU  88  -3.808  -8.842  -7.565
  718   1HB   GLU  88           HB2      GLU  88  -2.606  -9.208 -10.319
  719   2HB   GLU  88           HB1      GLU  88  -4.330  -9.147  -9.951
  720   1HG   GLU  88           HG2      GLU  88  -3.944  -6.856  -8.946
  721   2HG   GLU  88           HG1      GLU  88  -2.299  -6.925  -9.581
  722    H    ARG  89           HN       ARG  89  -1.514 -10.994  -7.011
  723    HA   ARG  89           HA       ARG  89  -3.390 -13.208  -7.285
  724   1HB   ARG  89           HB2      ARG  89  -2.317 -14.554  -8.861
  725   2HB   ARG  89           HB1      ARG  89  -2.188 -12.948  -9.566
  726   1HG   ARG  89           HG2      ARG  89   0.025 -13.362  -9.731
  727   2HG   ARG  89           HG1      ARG  89   0.090 -13.136  -7.982
  728   1HD   ARG  89           HD2      ARG  89   0.977 -15.259  -8.073
  729   2HD   ARG  89           HD1      ARG  89  -0.728 -15.698  -8.041
  730    HE   ARG  89           HE       ARG  89  -0.158 -15.392 -10.743
  731   1HH1  ARG  89          HH21      ARG  89   2.541 -16.332  -9.370
  732   2HH1  ARG  89          HH22      ARG  89   2.481 -18.014  -9.780
  733   1HH2  ARG  89          HH11      ARG  89  -0.854 -17.936 -10.724
  734   2HH2  ARG  89          HH12      ARG  89   0.557 -18.922 -10.548
  735    H    TRP  90           HN       TRP  90  -2.732 -12.624  -4.893
  736    HA   TRP  90           HA       TRP  90  -0.182 -13.831  -4.068
  737   1HB   TRP  90           HB2      TRP  90  -0.901 -13.350  -1.786
  738   2HB   TRP  90           HB1      TRP  90  -1.210 -11.935  -2.794
  739    HD1  TRP  90           HD1      TRP  90  -3.185 -15.133  -1.823
  740    HE1  TRP  90           HE1      TRP  90  -5.625 -14.468  -1.318
  741    HE3  TRP  90           HE3      TRP  90  -2.897 -10.105  -2.678
  742    HZ2  TRP  90           HZ2      TRP  90  -7.221 -12.104  -1.267
  743    HZ3  TRP  90           HZ3      TRP  90  -4.899  -8.682  -2.380
  744    HH2  TRP  90           HH2      TRP  90  -7.055  -9.665  -1.682
  745    H    GLU  91           HN       GLU  91  -0.304 -15.644  -2.352
  746    HA   GLU  91           HA       GLU  91  -2.088 -17.751  -3.424
  747   1HB   GLU  91           HB2      GLU  91  -0.089 -18.818  -3.091
  748   2HB   GLU  91           HB1      GLU  91   0.438 -17.644  -1.895
  749   1HG   GLU  91           HG2      GLU  91  -0.476 -18.815  -0.125
  750   2HG   GLU  91           HG1      GLU  91  -1.772 -19.495  -1.108
  751    H    GLY  92           HN       GLY  92  -4.093 -17.879  -2.519
  752   1HA   GLY  92           HA2      GLY  92  -5.824 -17.681  -0.934
  753   2HA   GLY  92           HA1      GLY  92  -4.700 -18.584   0.073
  754    H    GLU  93           HN       GLU  93  -3.202 -17.302   1.422
  755    HA   GLU  93           HA       GLU  93  -4.558 -14.981   2.556
  756   1HB   GLU  93           HB2      GLU  93  -1.804 -15.844   3.369
  757   2HB   GLU  93           HB1      GLU  93  -3.132 -15.273   4.369
  758   1HG   GLU  93           HG2      GLU  93  -4.336 -17.459   3.590
  759   2HG   GLU  93           HG1      GLU  93  -2.705 -18.002   3.191
  760    HA   PRO  94           HA       PRO  94  -2.112 -11.979   0.370
  761   1HB   PRO  94           HB2      PRO  94  -2.652  -9.882   2.135
  762   2HB   PRO  94           HB1      PRO  94  -3.707 -10.377   0.801
  763   1HG   PRO  94           HG2      PRO  94  -4.112 -10.731   3.687
  764   2HG   PRO  94           HG1      PRO  94  -5.278 -10.915   2.371
  765   1HD   PRO  94           HD2      PRO  94  -3.964 -13.000   3.849
  766   2HD   PRO  94           HD1      PRO  94  -5.080 -13.182   2.479
  767    H    TRP  95           HN       TRP  95  -0.620  -9.918   1.527
  768    HA   TRP  95           HA       TRP  95   0.650 -10.545   3.961
  769   1HB   TRP  95           HB2      TRP  95   2.707 -11.597   3.340
  770   2HB   TRP  95           HB1      TRP  95   1.405 -12.550   2.636
  771    HD1  TRP  95           HD1      TRP  95   0.959 -10.276   0.237
  772    HE1  TRP  95           HE1      TRP  95   2.594 -10.376  -1.781
  773    HE3  TRP  95           HE3      TRP  95   4.758 -12.909   2.383
  774    HZ2  TRP  95           HZ2      TRP  95   5.197 -11.476  -2.348
  775    HZ3  TRP  95           HZ3      TRP  95   6.795 -13.467   1.092
  776    HH2  TRP  95           HH2      TRP  95   7.021 -12.753  -1.267
  777    H    GLY  96           HN       GLY  96  -0.130  -8.190   2.450
  778   1HA   GLY  96           HA2      GLY  96   2.543  -6.843   2.357
  779   2HA   GLY  96           HA1      GLY  96   1.225  -6.388   1.275
  780    H    LYS  97           HN       LYS  97  -0.161  -7.205   4.155
  781    HA   LYS  97           HA       LYS  97  -0.712  -4.424   4.805
  782   1HB   LYS  97           HB2      LYS  97  -2.200  -5.364   6.508
  783   2HB   LYS  97           HB1      LYS  97  -2.459  -6.136   4.944
  784   1HG   LYS  97           HG2      LYS  97  -1.849  -8.156   5.755
  785   2HG   LYS  97           HG1      LYS  97  -0.379  -7.496   6.448
  786   1HD   LYS  97           HD2      LYS  97  -1.652  -6.630   8.365
  787   2HD   LYS  97           HD1      LYS  97  -3.129  -7.307   7.683
  788   1HE   LYS  97           HE2      LYS  97  -0.917  -9.240   7.900
  789   2HE   LYS  97           HE1      LYS  97  -1.489  -8.627   9.452
  790   1HZ   LYS  97           HZ1      LYS  97  -3.723  -9.145   7.873
  791   2HZ   LYS  97           HZ3      LYS  97  -2.712 -10.501   7.754
  792   3HZ   LYS  97           HZ2      LYS  97  -3.227  -9.958   9.279
  793    H    GLU  98           HN       GLU  98   0.310  -3.210   6.246
  794    HA   GLU  98           HA       GLU  98   2.428  -4.360   7.923
  795   1HB   GLU  98           HB2      GLU  98   1.316  -1.545   7.711
  796   2HB   GLU  98           HB1      GLU  98   2.771  -2.002   8.597
  797   1HG   GLU  98           HG2      GLU  98   2.292  -2.018   5.628
  798   2HG   GLU  98           HG1      GLU  98   3.599  -1.263   6.530
  799    H    GLY  99           HN       GLY  99   1.481  -2.103   9.959
  800   1HA   GLY  99           HA2      GLY  99   0.195  -3.854  11.807
  801   2HA   GLY  99           HA1      GLY  99   0.185  -2.090  11.924
  802    H    GLN 100           HN       GLN 100  -0.903  -2.106   9.071
  803    HA   GLN 100           HA       GLN 100  -3.634  -1.642   9.579
  804   1HB   GLN 100           HB2      GLN 100  -1.883  -1.704   7.328
  805   2HB   GLN 100           HB1      GLN 100  -3.304  -2.664   6.917
  806   1HG   GLN 100           HG2      GLN 100  -4.458  -0.774   6.571
  807   2HG   GLN 100           HG1      GLN 100  -4.224  -0.337   8.264
  808   1HE2  GLN 100          HE22      GLN 100  -2.614   2.169   5.837
  809   2HE2  GLN 100          HE21      GLN 100  -4.130   1.410   5.776
  810    HA   PRO 101           HA       PRO 101  -5.405  -5.661   9.977
  811   1HB   PRO 101           HB2      PRO 101  -7.822  -4.909   8.624
  812   2HB   PRO 101           HB1      PRO 101  -7.563  -5.017  10.368
  813   1HG   PRO 101           HG2      PRO 101  -7.884  -2.631   8.789
  814   2HG   PRO 101           HG1      PRO 101  -7.589  -2.740  10.528
  815   1HD   PRO 101           HD2      PRO 101  -5.742  -1.915   8.458
  816   2HD   PRO 101           HD1      PRO 101  -5.471  -1.967  10.207
  817    H    GLY 102           HN       GLY 102  -5.714  -3.872   6.952
  818   1HA   GLY 102           HA2      GLY 102  -5.579  -4.546   4.726
  819   2HA   GLY 102           HA1      GLY 102  -4.578  -5.878   5.310
  820    H    GLU 103           HN       GLU 103  -7.444  -5.179   3.764
  821    HA   GLU 103           HA       GLU 103  -8.353  -7.974   4.169
  822   1HB   GLU 103           HB2      GLU 103 -10.717  -7.168   4.587
  823   2HB   GLU 103           HB1      GLU 103  -9.593  -6.877   5.912
  824   1HG   GLU 103           HG2      GLU 103  -9.241  -4.556   5.005
  825   2HG   GLU 103           HG1      GLU 103 -10.541  -4.861   3.851
  826    H    TRP 104           HN       TRP 104  -9.048  -8.816   2.202
  827    HA   TRP 104           HA       TRP 104  -8.856  -7.429  -0.219
  828   1HB   TRP 104           HB2      TRP 104 -11.113  -9.397   0.031
  829   2HB   TRP 104           HB1      TRP 104  -9.952  -9.194  -1.277
  830    HD1  TRP 104           HD1      TRP 104  -7.244  -9.459   0.151
  831    HE1  TRP 104           HE1      TRP 104  -6.484 -11.694   1.231
  832    HE3  TRP 104           HE3      TRP 104 -11.800 -11.670   0.792
  833    HZ2  TRP 104           HZ2      TRP 104  -7.700 -14.084   2.230
  834    HZ3  TRP 104           HZ3      TRP 104 -11.972 -13.924   1.807
  835    HH2  TRP 104           HH2      TRP 104  -9.930 -15.132   2.527
  836    H    MET 105           HN       MET 105 -10.089  -5.873  -1.190
  837    HA   MET 105           HA       MET 105 -12.706  -5.256   0.110
  838   1HB   MET 105           HB2      MET 105 -10.562  -3.649   0.247
  839   2HB   MET 105           HB1      MET 105 -11.185  -3.111  -1.320
  840   1HG   MET 105           HG2      MET 105 -12.928  -3.339   1.148
  841   2HG   MET 105           HG1      MET 105 -12.070  -1.858   0.722
  842   1HE   MET 105           HE1      MET 105 -14.794  -4.307   0.125
  843   2HE   MET 105           HE3      MET 105 -15.413  -2.835   0.887
  844   3HE   MET 105           HE2      MET 105 -16.004  -3.326  -0.699
  845    H    SER 106           HN       SER 106 -14.394  -5.497  -1.259
  846    HA   SER 106           HA       SER 106 -13.899  -5.868  -4.126
  847   1HB   SER 106           HB2      SER 106 -15.772  -6.883  -2.386
  848   2HB   SER 106           HB1      SER 106 -16.696  -5.635  -3.217
  849    HG   SER 106           HG       SER 106 -16.856  -7.371  -4.520
  850    H    LEU 107           HN       LEU 107 -13.140  -3.332  -3.402
  851    HA   LEU 107           HA       LEU 107 -15.257  -1.396  -3.800
  852   1HB   LEU 107           HB2      LEU 107 -13.645  -0.285  -2.665
  853   2HB   LEU 107           HB1      LEU 107 -12.421  -1.460  -3.110
  854    HG   LEU 107           HG       LEU 107 -11.946   0.864  -3.865
  855   1HD1  LEU 107          HD12      LEU 107 -11.774  -1.579  -5.328
  856   2HD1  LEU 107          HD11      LEU 107 -12.061  -0.269  -6.472
  857   3HD1  LEU 107          HD13      LEU 107 -10.682  -0.199  -5.376
  858   1HD2  LEU 107          HD21      LEU 107 -14.614   0.810  -4.672
  859   2HD2  LEU 107          HD23      LEU 107 -13.436   2.078  -5.010
  860   3HD2  LEU 107          HD22      LEU 107 -13.693   0.780  -6.176
  861    H    VAL 108           HN       VAL 108 -12.998  -3.158  -5.782
  862    HA   VAL 108           HA       VAL 108 -12.761  -3.355  -8.106
  863    HB   VAL 108           HB       VAL 108 -15.598  -2.292  -8.055
  864   1HG1  VAL 108          HG12      VAL 108 -13.816  -3.443 -10.149
  865   2HG1  VAL 108          HG11      VAL 108 -15.494  -3.983 -10.145
  866   3HG1  VAL 108          HG13      VAL 108 -15.120  -2.267 -10.308
  867   1HG2  VAL 108          HG22      VAL 108 -14.817  -4.451  -6.701
  868   2HG2  VAL 108          HG21      VAL 108 -16.325  -4.452  -7.616
  869   3HG2  VAL 108          HG23      VAL 108 -14.875  -5.188  -8.302
  870    H    GLY 109           HN       GLY 109 -11.566  -2.049  -9.398
  871   1HA   GLY 109           HA2      GLY 109 -10.639  -0.011 -10.172
  872   2HA   GLY 109           HA1      GLY 109 -12.317   0.323 -10.623
  873    H    LEU 110           HN       LEU 110  -9.966   0.630  -7.991
  874    HA   LEU 110           HA       LEU 110 -11.507   1.799  -6.035
  875   1HB   LEU 110           HB2      LEU 110  -8.744   1.655  -6.590
  876   2HB   LEU 110           HB1      LEU 110  -9.097   3.368  -6.281
  877    HG   LEU 110           HG       LEU 110 -10.368   1.348  -4.501
  878   1HD1  LEU 110          HD12      LEU 110  -7.442   1.924  -4.629
  879   2HD1  LEU 110          HD11      LEU 110  -8.198   1.697  -3.051
  880   3HD1  LEU 110          HD13      LEU 110  -8.272   0.412  -4.258
  881   1HD2  LEU 110          HD21      LEU 110  -9.552   4.201  -4.466
  882   2HD2  LEU 110          HD23      LEU 110 -11.002   3.438  -3.814
  883   3HD2  LEU 110          HD22      LEU 110  -9.481   3.342  -2.928
  884    H    ASN 111           HN       ASN 111 -11.407   4.357  -5.485
  885    HA   ASN 111           HA       ASN 111 -11.947   5.855  -8.011
  886   1HB   ASN 111           HB2      ASN 111 -13.948   4.741  -6.401
  887   2HB   ASN 111           HB1      ASN 111 -13.966   6.470  -6.039
  888   1HD2  ASN 111          HD22      ASN 111 -16.024   6.693  -8.943
  889   2HD2  ASN 111          HD21      ASN 111 -16.006   6.735  -7.247
  890    H    ALA 112           HN       ALA 112 -10.583   5.918  -4.919
  891    HA   ALA 112           HA       ALA 112  -9.413   7.722  -3.910
  892   1HB   ALA 112           HB2      ALA 112  -9.487   8.762  -6.282
  893   2HB   ALA 112           HB1      ALA 112 -10.881   9.664  -5.686
  894   3HB   ALA 112           HB3      ALA 112  -9.309   9.853  -4.910
  895    H    ASP 113           HN       ASP 113 -12.841   7.994  -4.711
  896    HA   ASP 113           HA       ASP 113 -13.708   9.765  -2.702
  897   1HB   ASP 113           HB2      ASP 113 -14.890   8.165  -4.626
  898   2HB   ASP 113           HB1      ASP 113 -15.420   7.405  -3.131
  899    H    ASP 114           HN       ASP 114 -12.530   6.519  -2.599
  900    HA   ASP 114           HA       ASP 114 -13.266   6.259   0.278
  901   1HB   ASP 114           HB2      ASP 114 -12.894   4.384  -1.970
  902   2HB   ASP 114           HB1      ASP 114 -12.153   3.863  -0.455
  903    H    PHE 115           HN       PHE 115 -10.691   6.862  -1.897
  904    HA   PHE 115           HA       PHE 115  -8.593   6.088   0.029
  905   1HB   PHE 115           HB2      PHE 115  -8.738   6.483  -2.807
  906   2HB   PHE 115           HB1      PHE 115  -7.531   7.584  -2.148
  907    HD1  PHE 115           HD2      PHE 115  -6.071   6.415  -0.182
  908    HD2  PHE 115           HD1      PHE 115  -7.976   4.403  -3.443
  909    HE1  PHE 115           HE2      PHE 115  -4.524   4.512   0.084
  910    HE2  PHE 115           HE1      PHE 115  -6.420   2.497  -3.192
  911    HZ   PHE 115           HZ       PHE 115  -4.683   2.549  -1.422
  912    HA   PRO 116           HA       PRO 116  -8.867  10.079   2.018
  913   1HB   PRO 116           HB2      PRO 116  -6.046   9.639   2.702
  914   2HB   PRO 116           HB1      PRO 116  -7.438   9.798   3.775
  915   1HG   PRO 116           HG2      PRO 116  -6.072   7.400   3.151
  916   2HG   PRO 116           HG1      PRO 116  -7.630   7.527   3.979
  917   1HD   PRO 116           HD2      PRO 116  -7.108   6.541   1.310
  918   2HD   PRO 116           HD1      PRO 116  -8.660   6.615   2.165
  919    HA   PRO 117           HA       PRO 117  -7.209  12.733  -1.065
  920   1HB   PRO 117           HB2      PRO 117  -6.736  14.876   0.802
  921   2HB   PRO 117           HB1      PRO 117  -8.078  14.695  -0.336
  922   1HG   PRO 117           HG2      PRO 117  -8.157  14.399   2.527
  923   2HG   PRO 117           HG1      PRO 117  -9.489  14.201   1.382
  924   1HD   PRO 117           HD2      PRO 117  -8.095  12.142   2.844
  925   2HD   PRO 117           HD1      PRO 117  -9.434  11.948   1.695
  926    H    ALA 118           HN       ALA 118  -5.465  12.320   1.986
  927    HA   ALA 118           HA       ALA 118  -3.061  13.608   1.559
  928   1HB   ALA 118           HB1      ALA 118  -3.922  11.603   3.259
  929   2HB   ALA 118           HB3      ALA 118  -2.629  10.816   2.356
  930   3HB   ALA 118           HB2      ALA 118  -2.303  12.302   3.249
  931    H    ASN 119           HN       ASN 119  -3.620  10.239   0.478
  932    HA   ASN 119           HA       ASN 119  -1.400  10.499  -1.449
  933   1HB   ASN 119           HB2      ASN 119  -3.162   8.249  -0.475
  934   2HB   ASN 119           HB1      ASN 119  -2.162   8.047  -1.919
  935   1HD2  ASN 119          HD22      ASN 119   0.417   7.109   0.339
  936   2HD2  ASN 119          HD21      ASN 119  -0.621   6.587  -0.894
  937    H    GLU 120           HN       GLU 120  -3.283  12.260  -2.139
  938    HA   GLU 120           HA       GLU 120  -5.367  11.298  -3.863
  939   1HB   GLU 120           HB2      GLU 120  -4.232  13.848  -3.020
  940   2HB   GLU 120           HB1      GLU 120  -4.803  13.874  -4.689
  941   1HG   GLU 120           HG2      GLU 120  -6.669  12.473  -2.943
  942   2HG   GLU 120           HG1      GLU 120  -6.390  14.128  -2.401
  943    HA   PRO 121           HA       PRO 121  -2.179  12.729  -7.324
  944   1HB   PRO 121           HB2      PRO 121   0.315  11.593  -6.363
  945   2HB   PRO 121           HB1      PRO 121  -0.016  13.239  -6.915
  946   1HG   PRO 121           HG2      PRO 121   0.410  12.413  -4.234
  947   2HG   PRO 121           HG1      PRO 121  -0.164  13.998  -4.768
  948   1HD   PRO 121           HD2      PRO 121  -1.649  11.897  -3.432
  949   2HD   PRO 121           HD1      PRO 121  -2.190  13.539  -3.833
  950    H    VAL 122           HN       VAL 122  -1.352   9.721  -5.552
  951    HA   VAL 122           HA       VAL 122  -1.242   8.307  -8.130
  952    HB   VAL 122           HB       VAL 122  -0.530   7.714  -5.312
  953   1HG1  VAL 122          HG13      VAL 122  -1.617   5.697  -7.244
  954   2HG1  VAL 122          HG12      VAL 122  -0.268   5.229  -6.208
  955   3HG1  VAL 122          HG11      VAL 122  -1.789   5.762  -5.490
  956   1HG2  VAL 122          HG23      VAL 122   1.032   8.424  -7.207
  957   2HG2  VAL 122          HG22      VAL 122   1.514   6.982  -6.314
  958   3HG2  VAL 122          HG21      VAL 122   0.757   6.824  -7.898
  959    H    ILE 123           HN       ILE 123  -3.441   8.757  -5.440
  960    HA   ILE 123           HA       ILE 123  -5.158   6.527  -6.074
  961    HB   ILE 123           HB       ILE 123  -5.332   8.982  -4.385
  962   1HG1  ILE 123          HG12      ILE 123  -5.824   7.375  -2.682
  963   2HG1  ILE 123          HG11      ILE 123  -6.267   6.155  -3.875
  964   1HG2  ILE 123          HG22      ILE 123  -7.772   7.424  -5.305
  965   2HG2  ILE 123          HG21      ILE 123  -7.759   8.566  -3.961
  966   3HG2  ILE 123          HG23      ILE 123  -7.453   9.133  -5.602
  967   1HD1  ILE 123          HD11      ILE 123  -3.512   7.272  -4.052
  968   2HD1  ILE 123          HD13      ILE 123  -3.853   6.190  -2.701
  969   3HD1  ILE 123          HD12      ILE 123  -4.085   5.632  -4.358
  970    H    ALA 124           HN       ALA 124  -4.606   9.650  -7.397
  971    HA   ALA 124           HA       ALA 124  -7.048  10.138  -8.760
  972   1HB   ALA 124           HB3      ALA 124  -4.295  11.079  -8.850
  973   2HB   ALA 124           HB2      ALA 124  -4.982  10.956 -10.469
  974   3HB   ALA 124           HB1      ALA 124  -5.777  11.948  -9.247
  975    H    LYS 125           HN       LYS 125  -4.407   7.989  -9.260
  976    HA   LYS 125           HA       LYS 125  -5.131   7.238 -11.982
  977   1HB   LYS 125           HB2      LYS 125  -3.269   5.809 -10.078
  978   2HB   LYS 125           HB1      LYS 125  -3.264   5.739 -11.843
  979   1HG   LYS 125           HG2      LYS 125  -2.577   8.099 -10.080
  980   2HG   LYS 125           HG1      LYS 125  -1.535   7.273 -11.242
  981   1HD   LYS 125           HD2      LYS 125  -4.056   8.776 -11.993
  982   2HD   LYS 125           HD1      LYS 125  -2.433   9.458 -12.085
  983   1HE   LYS 125           HE2      LYS 125  -3.098   6.854 -13.450
  984   2HE   LYS 125           HE1      LYS 125  -3.416   8.401 -14.235
  985   1HZ   LYS 125           HZ2      LYS 125  -0.810   8.271 -13.058
  986   2HZ   LYS 125           HZ1      LYS 125  -1.043   7.071 -14.238
  987   3HZ   LYS 125           HZ3      LYS 125  -1.263   8.705 -14.636
  988    H    LEU 126           HN       LEU 126  -5.537   5.715  -8.741
  989    HA   LEU 126           HA       LEU 126  -6.652   3.286  -9.813
  990   1HB   LEU 126           HB2      LEU 126  -7.223   4.580  -7.125
  991   2HB   LEU 126           HB1      LEU 126  -7.641   2.927  -7.580
  992    HG   LEU 126           HG       LEU 126  -5.594   2.210  -6.978
  993   1HD1  LEU 126          HD13      LEU 126  -4.885   3.030  -9.306
  994   2HD1  LEU 126          HD12      LEU 126  -4.223   4.443  -8.488
  995   3HD1  LEU 126          HD11      LEU 126  -3.600   2.837  -8.116
  996   1HD2  LEU 126          HD22      LEU 126  -5.966   4.556  -5.619
  997   2HD2  LEU 126          HD21      LEU 126  -4.640   3.432  -5.321
  998   3HD2  LEU 126          HD23      LEU 126  -4.391   4.830  -6.366
  999    H    LYS 127           HN       LYS 127  -7.857   6.475  -9.253
 1000    HA   LYS 127           HA       LYS 127 -10.638   6.100  -9.206
 1001   1HB   LYS 127           HB2      LYS 127  -9.215   8.152 -10.919
 1002   2HB   LYS 127           HB1      LYS 127 -10.793   8.316 -10.129
 1003   1HG   LYS 127           HG2      LYS 127  -9.165   7.719  -7.999
 1004   2HG   LYS 127           HG1      LYS 127  -8.094   8.679  -9.018
 1005   1HD   LYS 127           HD2      LYS 127 -10.848   9.498  -8.056
 1006   2HD   LYS 127           HD1      LYS 127  -9.309  10.169  -7.514
 1007   1HE   LYS 127           HE2      LYS 127  -8.857  11.080  -9.707
 1008   2HE   LYS 127           HE1      LYS 127 -10.258  10.256 -10.390
 1009   1HZ   LYS 127           HZ1      LYS 127 -10.515  12.188  -8.166
 1010   2HZ   LYS 127           HZ3      LYS 127 -10.528  12.687  -9.787
 1011   3HZ   LYS 127           HZ2      LYS 127 -11.724  11.621  -9.217
 1012    H    ARG 128           HN       ARG 128  -8.317   5.973 -11.802
 1013    HA   ARG 128           HA       ARG 128 -10.318   5.443 -13.869
 1014   1HB   ARG 128           HB2      ARG 128  -7.435   4.892 -14.359
 1015   2HB   ARG 128           HB1      ARG 128  -8.596   5.759 -15.356
 1016   1HG   ARG 128           HG2      ARG 128  -8.335   7.368 -13.090
 1017   2HG   ARG 128           HG1      ARG 128  -6.688   6.809 -13.408
 1018   1HD   ARG 128           HD2      ARG 128  -8.104   7.555 -15.854
 1019   2HD   ARG 128           HD1      ARG 128  -7.989   8.896 -14.715
 1020    HE   ARG 128           HE       ARG 128  -5.428   7.843 -14.751
 1021   1HH1  ARG 128          HH11      ARG 128  -6.097   7.005 -17.564
 1022   2HH1  ARG 128          HH12      ARG 128  -5.597   8.390 -18.476
 1023   1HH2  ARG 128          HH21      ARG 128  -5.470  10.486 -15.717
 1024   2HH2  ARG 128          HH22      ARG 128  -5.242  10.362 -17.429
 1025    H    LEU 129           HN       LEU 129  -8.182   3.651 -11.749
 1026    HA   LEU 129           HA       LEU 129  -7.811   1.210 -12.937
 1027   1HB   LEU 129           HB2      LEU 129  -7.984   2.119 -10.243
 1028   2HB   LEU 129           HB1      LEU 129  -8.881   0.608 -10.361
 1029    HG   LEU 129           HG       LEU 129  -6.940  -0.448 -11.477
 1030   1HD1  LEU 129          HD13      LEU 129  -6.062   1.703 -12.438
 1031   2HD1  LEU 129          HD12      LEU 129  -5.494   2.134 -10.825
 1032   3HD1  LEU 129          HD11      LEU 129  -4.827   0.724 -11.648
 1033   1HD2  LEU 129          HD21      LEU 129  -7.257  -0.347  -8.927
 1034   2HD2  LEU 129          HD23      LEU 129  -5.636  -0.728  -9.505
 1035   3HD2  LEU 129          HD22      LEU 129  -6.009   0.898  -8.935
 1036   3HOG  APC 130           H5T      ATP 130   5.090   2.922   7.587
 1037   1H3A  APC 130           H3P      ATP 130   7.317   2.801   7.768
 1038   2H3A  APC 130          H3P'      ATP 130   6.741   3.077   9.428
 1039   1H5*  APC 130           H5'      ATP 130   7.881   4.512   7.434
 1040   2H5*  APC 130          H5''      ATP 130   9.217   5.676   7.504
 1041    H4*  APC 130           H4'      ATP 130   8.009   6.651   9.558
 1042    H3*  APC 130           H3'      ATP 130   6.095   4.609   8.663
 1043   *HO3  APC 130          H3''      ATP 130   6.100   6.288  11.014
 1044    H2*  APC 130          H2''      ATP 130   4.427   5.941   8.012
 1045   *HO2  APC 130           H2'      ATP 130   3.492   7.205   9.454
 1046    H1*  APC 130           H1'      ATP 130   5.674   8.545   8.313
 1047    H8   APC 130           H8       ATP 130   5.504   5.693   5.685
 1048    H2   APC 130           H2       ATP 130   3.685  11.811   5.917
 1049   1HN6  APC 130           H61      ATP 130   2.984   8.029   2.319
 1050   2HN6  APC 130           H62      ATP 130   2.421   9.679   2.175
 1051   1HN1  CON 131          H1N1      ATP 130   6.546   0.561  13.907
 1052   2HN1  CON 131          H2N1      ATP 130   7.190  -0.513  12.970
 1053   3HN1  CON 131          H3N1      ATP 130   5.876  -0.842  13.748
 1054   1HN2  CON 131          H1N2      ATP 130   3.236   1.338  13.153
 1055   2HN2  CON 131          H2N2      ATP 130   2.762   0.102  12.327
 1056   3HN2  CON 131          H3N2      ATP 130   3.628  -0.108  13.611
 1057   1HN3  CON 131          H1N3      ATP 130   5.031   3.155  11.778
 1058   2HN3  CON 131          H2N3      ATP 130   6.460   2.773  12.279
 1059   3HN3  CON 131          H3N3      ATP 130   5.234   2.643  13.240
 1060   1HN4  CON 131          H1N4      ATP 130   5.705  -1.925  11.182
 1061   2HN4  CON 131          H2N4      ATP 130   4.185  -1.795  11.515
 1062   3HN4  CON 131          H3N4      ATP 130   4.701  -1.412  10.094
 1063   1HO1  MO2 132          H1O1      MG  131   9.180  -2.110   7.017
 1064   2HO1  MO2 132          H2O1      MG  131   8.877  -2.775   8.338
 1065   1HO2  MO2 132          H1O2      MG  131   6.886  -4.533   9.222
 1066   2HO2  MO2 132          H2O2      MG  131   6.852  -5.867   8.511
   
  No H/Q in entry =        1066