*HEADER    ANTIMICROBIAL PROTEIN                   08-JAN-19   6QEU              
*TITLE     GGA-AVBD11 (AVIAN BETA-DEFENSIN 11 FROM GALLUS GALLUS)                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GALLINACIN-11;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GAL-11,BETA-DEFENSIN 11,VITELLINE MEMBRANE OUTER LAYER      
*COMPND   5 PROTEIN 2,VITELLINE MEMBRANE OUTER LAYER PROTEIN II,VMOII            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   3 ORGANISM_COMMON: CHICKEN;                                            
*SOURCE   4 ORGANISM_TAXID: 9031;                                                
*SOURCE   5 TISSUE: EGG                                                          
*KEYWDS    NEW FOLD, DOUBLE BETA-DEFENSIN, DEFENSIN, AVIAN EGG, ANTIMICROBIAL    
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.MEUDAL,K.LOTH,A.F.DELMAS,C.LANDON                                   
*REVDAT   1   18-DEC-19 6QEU    0                                                
# Restraints file 1: 1_2.tbl
 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 28   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 38   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 26   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 40   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 24   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 16   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 37   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 14   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 39   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 79   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 55   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 77   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 57   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 26   and name  N   ))
   (( segid "   A" and resid 40   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 14   and name  N   ))
   (( segid "   A" and resid 39   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 40   and name  N   ))
   (( segid "   A" and resid 26   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 38   and name  N   ))
   (( segid "   A" and resid 28   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 79   and name  N   ))
   (( segid "   A" and resid 55   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 77   and name  N   ))
   (( segid "   A" and resid 57   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 16   and name  N   ))
   (( segid "   A" and resid 37   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 42   and name  N   ))
   (( segid "   A" and resid 24   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 28   and name  N   ))
   (( segid "   A" and resid 38   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 57   and name  N   ))
   (( segid "   A" and resid 77   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 55   and name  N   ))
   (( segid "   A" and resid 79   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 37   and name  N   ))
   (( segid "   A" and resid 16   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 39   and name  N   ))
   (( segid "   A" and resid 14   and name  O   ))
      3.200     0.684     0.727

# Restraints file 2: disu.tbl
assign (segid "   A" and resid 8 and name SG) (segid "   A" and not resid 8 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 15 and name SG) (segid "   A" and not resid 15 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 21 and name SG) (segid "   A" and not resid 21 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 31 and name SG) (segid "   A" and not resid 31 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 38 and name SG) (segid "   A" and not resid 38 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 39 and name SG) (segid "   A" and not resid 39 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 49 and name SG) (segid "   A" and not resid 49 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 56 and name SG) (segid "   A" and not resid 56 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 63 and name SG) (segid "   A" and not resid 63 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 71 and name SG) (segid "   A" and not resid 71 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 88 and name SG) (segid "   A" and not resid 88 and name SG) 2.02 0.1 0.1
assign (segid "   A" and resid 89 and name SG) (segid "   A" and not resid 89 and name SG) 2.02 0.1 0.1


# Restraints file 3: 1_1.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -73.41 36.59 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -15.03 34.97 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -76.73 33.27 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 -25.49 44.51 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -64.44 25.56 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 -44.23 25.77 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -64.74 25.26 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -40.97 29.03 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -64.99 25.01 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 -35.91 24.09 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -60.56 29.44 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -40.95 29.05 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -73.82 26.18 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -22.93 27.07 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -56.18 33.82 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -40.55 29.45 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -64.91 25.09 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -36.26 33.74 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -85.21 34.79 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00  -4.77 35.23 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00  69.18 29.18 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -78.99 101.01 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 151.67 51.67 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -81.75 68.25 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 134.42 44.42 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -64.34 25.66 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -71.70 28.30 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -24.43 45.57 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -94.79 25.21 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00  -4.87 35.13 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -74.23 35.77 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 153.37 53.37 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -62.12 27.88 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 151.61 31.61 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -58.26 21.74 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 144.36 34.36 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -125.15 44.85 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 138.13 28.13 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -78.40 71.60 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 132.93 42.93 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -68.50 101.50 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 137.78 47.78 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -82.95 87.05 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 158.29 48.29 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -57.84 32.16 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 -34.96 35.04 2

 ASSIGN  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -74.81 35.19 2

 ASSIGN  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00 -39.01 30.99 2

 ASSIGN  (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )
         (segid "   A" and resid 33   and name CA  ) (segid "   A" and resid 33   and name C   )  1.00 -57.06 32.94 2

 ASSIGN  (segid "   A" and resid 34   and name N   ) (segid "   A" and resid 34   and name CA  )
         (segid "   A" and resid 34   and name C   ) (segid "   A" and resid 35   and name N   )  1.00 -41.78 28.22 2

 ASSIGN  (segid "   A" and resid 34   and name C   ) (segid "   A" and resid 35   and name N   )
         (segid "   A" and resid 35   and name CA  ) (segid "   A" and resid 35   and name C   )  1.00 -55.43 34.57 2

 ASSIGN  (segid "   A" and resid 35   and name N   ) (segid "   A" and resid 35   and name CA  )
         (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )  1.00 -38.13 31.87 2

 ASSIGN  (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )
         (segid "   A" and resid 36   and name CA  ) (segid "   A" and resid 36   and name C   )  1.00 -130.64 49.36 2

 ASSIGN  (segid "   A" and resid 36   and name N   ) (segid "   A" and resid 36   and name CA  )
         (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )  1.00 155.97 55.97 2

 ASSIGN  (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )
         (segid "   A" and resid 37   and name CA  ) (segid "   A" and resid 37   and name C   )  1.00 -114.63 35.37 2

 ASSIGN  (segid "   A" and resid 37   and name N   ) (segid "   A" and resid 37   and name CA  )
         (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )  1.00 125.89 35.89 2

 ASSIGN  (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )
         (segid "   A" and resid 38   and name CA  ) (segid "   A" and resid 38   and name C   )  1.00 -116.79 33.21 2

 ASSIGN  (segid "   A" and resid 38   and name N   ) (segid "   A" and resid 38   and name CA  )
         (segid "   A" and resid 38   and name C   ) (segid "   A" and resid 39   and name N   )  1.00 127.97 27.97 2

 ASSIGN  (segid "   A" and resid 38   and name C   ) (segid "   A" and resid 39   and name N   )
         (segid "   A" and resid 39   and name CA  ) (segid "   A" and resid 39   and name C   )  1.00 -114.13 65.87 2

 ASSIGN  (segid "   A" and resid 39   and name N   ) (segid "   A" and resid 39   and name CA  )
         (segid "   A" and resid 39   and name C   ) (segid "   A" and resid 40   and name N   )  1.00 144.73 44.73 2

 ASSIGN  (segid "   A" and resid 39   and name C   ) (segid "   A" and resid 40   and name N   )
         (segid "   A" and resid 40   and name CA  ) (segid "   A" and resid 40   and name C   )  1.00 -119.98 40.02 2

 ASSIGN  (segid "   A" and resid 40   and name N   ) (segid "   A" and resid 40   and name CA  )
         (segid "   A" and resid 40   and name C   ) (segid "   A" and resid 41   and name N   )  1.00 130.68 30.68 2

 ASSIGN  (segid "   A" and resid 40   and name C   ) (segid "   A" and resid 41   and name N   )
         (segid "   A" and resid 41   and name CA  ) (segid "   A" and resid 41   and name C   )  1.00 -80.36 79.64 2

 ASSIGN  (segid "   A" and resid 41   and name N   ) (segid "   A" and resid 41   and name CA  )
         (segid "   A" and resid 41   and name C   ) (segid "   A" and resid 42   and name N   )  1.00 131.22 41.22 2

 ASSIGN  (segid "   A" and resid 41   and name C   ) (segid "   A" and resid 42   and name N   )
         (segid "   A" and resid 42   and name CA  ) (segid "   A" and resid 42   and name C   )  1.00 -74.05 95.95 2

 ASSIGN  (segid "   A" and resid 42   and name N   ) (segid "   A" and resid 42   and name CA  )
         (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )  1.00 138.43 48.43 2

 ASSIGN  (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )
         (segid "   A" and resid 43   and name CA  ) (segid "   A" and resid 43   and name C   )  1.00 -74.87 35.13 2

 ASSIGN  (segid "   A" and resid 43   and name N   ) (segid "   A" and resid 43   and name CA  )
         (segid "   A" and resid 43   and name C   ) (segid "   A" and resid 44   and name N   )  1.00 -38.09 31.91 2

 ASSIGN  (segid "   A" and resid 43   and name C   ) (segid "   A" and resid 44   and name N   )
         (segid "   A" and resid 44   and name CA  ) (segid "   A" and resid 44   and name C   )  1.00 -62.88 27.12 2

 ASSIGN  (segid "   A" and resid 44   and name N   ) (segid "   A" and resid 44   and name CA  )
         (segid "   A" and resid 44   and name C   ) (segid "   A" and resid 45   and name N   )  1.00 -29.13 40.87 2

 ASSIGN  (segid "   A" and resid 44   and name C   ) (segid "   A" and resid 45   and name N   )
         (segid "   A" and resid 45   and name CA  ) (segid "   A" and resid 45   and name C   )  1.00 -64.93 25.07 2

 ASSIGN  (segid "   A" and resid 45   and name N   ) (segid "   A" and resid 45   and name CA  )
         (segid "   A" and resid 45   and name C   ) (segid "   A" and resid 46   and name N   )  1.00 -40.15 29.85 2

 ASSIGN  (segid "   A" and resid 45   and name C   ) (segid "   A" and resid 46   and name N   )
         (segid "   A" and resid 46   and name CA  ) (segid "   A" and resid 46   and name C   )  1.00 -72.49 27.51 2

 ASSIGN  (segid "   A" and resid 46   and name N   ) (segid "   A" and resid 46   and name CA  )
         (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )  1.00 -37.09 32.91 2

 ASSIGN  (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )
         (segid "   A" and resid 47   and name CA  ) (segid "   A" and resid 47   and name C   )  1.00 -73.27 26.73 2

 ASSIGN  (segid "   A" and resid 47   and name N   ) (segid "   A" and resid 47   and name CA  )
         (segid "   A" and resid 47   and name C   ) (segid "   A" and resid 48   and name N   )  1.00 -38.10 31.90 2

 ASSIGN  (segid "   A" and resid 47   and name C   ) (segid "   A" and resid 48   and name N   )
         (segid "   A" and resid 48   and name CA  ) (segid "   A" and resid 48   and name C   )  1.00 -74.88 25.12 2

 ASSIGN  (segid "   A" and resid 48   and name N   ) (segid "   A" and resid 48   and name CA  )
         (segid "   A" and resid 48   and name C   ) (segid "   A" and resid 49   and name N   )  1.00 -34.42 35.58 2

 ASSIGN  (segid "   A" and resid 48   and name C   ) (segid "   A" and resid 49   and name N   )
         (segid "   A" and resid 49   and name CA  ) (segid "   A" and resid 49   and name C   )  1.00 -64.07 25.93 2

 ASSIGN  (segid "   A" and resid 49   and name N   ) (segid "   A" and resid 49   and name CA  )
         (segid "   A" and resid 49   and name C   ) (segid "   A" and resid 50   and name N   )  1.00 -36.14 23.86 2

 ASSIGN  (segid "   A" and resid 49   and name C   ) (segid "   A" and resid 50   and name N   )
         (segid "   A" and resid 50   and name CA  ) (segid "   A" and resid 50   and name C   )  1.00 -64.45 25.55 2

 ASSIGN  (segid "   A" and resid 50   and name N   ) (segid "   A" and resid 50   and name CA  )
         (segid "   A" and resid 50   and name C   ) (segid "   A" and resid 51   and name N   )  1.00 -43.07 26.93 2

 ASSIGN  (segid "   A" and resid 50   and name C   ) (segid "   A" and resid 51   and name N   )
         (segid "   A" and resid 51   and name CA  ) (segid "   A" and resid 51   and name C   )  1.00 -62.36 17.64 2

 ASSIGN  (segid "   A" and resid 51   and name N   ) (segid "   A" and resid 51   and name CA  )
         (segid "   A" and resid 51   and name C   ) (segid "   A" and resid 52   and name N   )  1.00 -28.18 31.82 2

 ASSIGN  (segid "   A" and resid 51   and name C   ) (segid "   A" and resid 52   and name N   )
         (segid "   A" and resid 52   and name CA  ) (segid "   A" and resid 52   and name C   )  1.00 -94.75 25.25 2

 ASSIGN  (segid "   A" and resid 52   and name N   ) (segid "   A" and resid 52   and name CA  )
         (segid "   A" and resid 52   and name C   ) (segid "   A" and resid 53   and name N   )  1.00   4.90 24.90 2

 ASSIGN  (segid "   A" and resid 53   and name C   ) (segid "   A" and resid 54   and name N   )
         (segid "   A" and resid 54   and name CA  ) (segid "   A" and resid 54   and name C   )  1.00 -72.62 47.38 2

 ASSIGN  (segid "   A" and resid 54   and name N   ) (segid "   A" and resid 54   and name CA  )
         (segid "   A" and resid 54   and name C   ) (segid "   A" and resid 55   and name N   )  1.00 154.10 44.10 2

 ASSIGN  (segid "   A" and resid 54   and name C   ) (segid "   A" and resid 55   and name N   )
         (segid "   A" and resid 55   and name CA  ) (segid "   A" and resid 55   and name C   )  1.00 -72.05 27.95 2

 ASSIGN  (segid "   A" and resid 55   and name N   ) (segid "   A" and resid 55   and name CA  )
         (segid "   A" and resid 55   and name C   ) (segid "   A" and resid 56   and name N   )  1.00 140.93 40.93 2

 ASSIGN  (segid "   A" and resid 55   and name C   ) (segid "   A" and resid 56   and name N   )
         (segid "   A" and resid 56   and name CA  ) (segid "   A" and resid 56   and name C   )  1.00 -97.74 82.26 2

 ASSIGN  (segid "   A" and resid 56   and name N   ) (segid "   A" and resid 56   and name CA  )
         (segid "   A" and resid 56   and name C   ) (segid "   A" and resid 57   and name N   )  1.00 140.50 50.50 2

 ASSIGN  (segid "   A" and resid 56   and name C   ) (segid "   A" and resid 57   and name N   )
         (segid "   A" and resid 57   and name CA  ) (segid "   A" and resid 57   and name C   )  1.00 -132.28 37.72 2

 ASSIGN  (segid "   A" and resid 57   and name N   ) (segid "   A" and resid 57   and name CA  )
         (segid "   A" and resid 57   and name C   ) (segid "   A" and resid 58   and name N   )  1.00 158.84 38.84 2

 ASSIGN  (segid "   A" and resid 57   and name C   ) (segid "   A" and resid 58   and name N   )
         (segid "   A" and resid 58   and name CA  ) (segid "   A" and resid 58   and name C   )  1.00 -75.13 84.87 2

 ASSIGN  (segid "   A" and resid 58   and name N   ) (segid "   A" and resid 58   and name CA  )
         (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )  1.00 146.59 56.59 2

 ASSIGN  (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )
         (segid "   A" and resid 59   and name CA  ) (segid "   A" and resid 59   and name C   )  1.00 -54.99 25.01 2

 ASSIGN  (segid "   A" and resid 59   and name N   ) (segid "   A" and resid 59   and name CA  )
         (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )  1.00 -31.30 28.70 2

 ASSIGN  (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )
         (segid "   A" and resid 60   and name CA  ) (segid "   A" and resid 60   and name C   )  1.00 -76.32 43.68 2

 ASSIGN  (segid "   A" and resid 60   and name N   ) (segid "   A" and resid 60   and name CA  )
         (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )  1.00 -14.30 25.70 2

 ASSIGN  (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )
         (segid "   A" and resid 61   and name CA  ) (segid "   A" and resid 61   and name C   )  1.00 -126.32 43.68 2

 ASSIGN  (segid "   A" and resid 61   and name N   ) (segid "   A" and resid 61   and name CA  )
         (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )  1.00 132.87 42.87 2

 ASSIGN  (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )
         (segid "   A" and resid 62   and name CA  ) (segid "   A" and resid 62   and name C   )  1.00 -112.94 47.06 2

 ASSIGN  (segid "   A" and resid 62   and name N   ) (segid "   A" and resid 62   and name CA  )
         (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )  1.00 124.12 34.12 2

 ASSIGN  (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )
         (segid "   A" and resid 63   and name CA  ) (segid "   A" and resid 63   and name C   )  1.00 -81.63 48.37 2

 ASSIGN  (segid "   A" and resid 63   and name N   ) (segid "   A" and resid 63   and name CA  )
         (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )  1.00 122.85 32.85 2

 ASSIGN  (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )
         (segid "   A" and resid 64   and name CA  ) (segid "   A" and resid 64   and name C   )  1.00 -85.04 64.96 2

 ASSIGN  (segid "   A" and resid 64   and name N   ) (segid "   A" and resid 64   and name CA  )
         (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )  1.00 135.14 45.14 2

 ASSIGN  (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )
         (segid "   A" and resid 65   and name CA  ) (segid "   A" and resid 65   and name C   )  1.00 -131.35 48.65 2

 ASSIGN  (segid "   A" and resid 65   and name N   ) (segid "   A" and resid 65   and name CA  )
         (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )  1.00 129.03 39.03 2

 ASSIGN  (segid "   A" and resid 69   and name C   ) (segid "   A" and resid 70   and name N   )
         (segid "   A" and resid 70   and name CA  ) (segid "   A" and resid 70   and name C   )  1.00 -69.20 40.80 2

 ASSIGN  (segid "   A" and resid 70   and name N   ) (segid "   A" and resid 70   and name CA  )
         (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )  1.00 137.88 37.88 2

 ASSIGN  (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )
         (segid "   A" and resid 71   and name CA  ) (segid "   A" and resid 71   and name C   )  1.00 -65.33 24.67 2

 ASSIGN  (segid "   A" and resid 71   and name N   ) (segid "   A" and resid 71   and name CA  )
         (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )  1.00 134.95 24.95 2

 ASSIGN  (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )
         (segid "   A" and resid 72   and name CA  ) (segid "   A" and resid 72   and name C   )  1.00 -55.00 25.00 2

 ASSIGN  (segid "   A" and resid 72   and name N   ) (segid "   A" and resid 72   and name CA  )
         (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )  1.00 -34.88 25.12 2

 ASSIGN  (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )
         (segid "   A" and resid 73   and name CA  ) (segid "   A" and resid 73   and name C   )  1.00 -66.13 23.87 2

 ASSIGN  (segid "   A" and resid 74   and name N   ) (segid "   A" and resid 74   and name CA  )
         (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )  1.00 -36.25 33.75 2

 ASSIGN  (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )
         (segid "   A" and resid 75   and name CA  ) (segid "   A" and resid 75   and name C   )  1.00 -72.05 37.95 2

 ASSIGN  (segid "   A" and resid 75   and name N   ) (segid "   A" and resid 75   and name CA  )
         (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )  1.00 -19.38 30.62 2

 ASSIGN  (segid "   A" and resid 76   and name N   ) (segid "   A" and resid 76   and name CA  )
         (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )  1.00 152.52 62.52 2

 ASSIGN  (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )
         (segid "   A" and resid 77   and name CA  ) (segid "   A" and resid 77   and name C   )  1.00 -67.44 52.56 2

 ASSIGN  (segid "   A" and resid 77   and name N   ) (segid "   A" and resid 77   and name CA  )
         (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )  1.00 134.79 34.79 2

 ASSIGN  (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )
         (segid "   A" and resid 78   and name CA  ) (segid "   A" and resid 78   and name C   )  1.00 -86.44 53.56 2

 ASSIGN  (segid "   A" and resid 78   and name N   ) (segid "   A" and resid 78   and name CA  )
         (segid "   A" and resid 78   and name C   ) (segid "   A" and resid 79   and name N   )  1.00 115.13 25.13 2

 ASSIGN  (segid "   A" and resid 78   and name C   ) (segid "   A" and resid 79   and name N   )
         (segid "   A" and resid 79   and name CA  ) (segid "   A" and resid 79   and name C   )  1.00 -76.03 53.97 2

 ASSIGN  (segid "   A" and resid 79   and name N   ) (segid "   A" and resid 79   and name CA  )
         (segid "   A" and resid 79   and name C   ) (segid "   A" and resid 80   and name N   )  1.00 130.93 40.93 2

 ASSIGN  (segid "   A" and resid 79   and name C   ) (segid "   A" and resid 80   and name N   )
         (segid "   A" and resid 80   and name CA  ) (segid "   A" and resid 80   and name C   )  1.00 -71.17 58.83 2

 ASSIGN  (segid "   A" and resid 80   and name N   ) (segid "   A" and resid 80   and name CA  )
         (segid "   A" and resid 80   and name C   ) (segid "   A" and resid 81   and name N   )  1.00 138.94 38.94 2

# Restraints file 4: ambig.tbl
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   67 and name  HB1) 3.477 1.511 1.511 weight 1.000 ! spec=Noesy-2013, no=3, id=2, vol=3.123780e+05
    or (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   67 and name  HB2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   41 and name   HN) 3.558 1.582 1.582 weight 1.000 ! spec=Noesy-2013, no=9, id=8, vol=3.028390e+05
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   80 and name   HN)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   27 and name   HN) 3.965 1.965 1.965 weight 1.000 ! spec=Noesy-2013, no=19, id=18, vol=1.253210e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   13 and name   HN)
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name   HN) 3.259 1.327 1.327 weight 1.000 ! spec=Noesy-2013, no=22, id=21, vol=4.898970e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   32 and name   HN) 3.581 1.603 1.603 weight 1.000 ! spec=Noesy-2013, no=30, id=29, vol=2.491830e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name   HN)
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   76 and name  HH2) 3.895 1.897 1.897 weight 1.000 ! spec=Noesy-2013, no=50, id=49, vol=1.338860e+05
    or (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name   HN)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name   HN) 2.497 0.779 0.779 weight 1.000 ! spec=Noesy-2013, no=79, id=78, vol=2.478065e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HN)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HN) 2.243 0.629 0.629 weight 1.000 ! spec=Noesy-2013, no=81, id=80, vol=4.660742e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name   HN)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name  HD2) 3.990 1.990 1.990 weight 1.000 ! spec=Noesy-2013, no=102, id=101, vol=1.356750e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   47 and name  HD2)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   46 and name  HE2) 4.062 2.063 2.063 weight 1.000 ! spec=Noesy-2013, no=104, id=103, vol=8.218000e+04
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   46 and name  HE1)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HE2)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HE1)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   67 and name HE22) 3.755 1.763 1.763 weight 1.000 ! spec=Noesy-2013, no=105, id=104, vol=1.925090e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   67 and name HE22)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   71 and name   HA) 3.974 1.974 1.974 weight 1.000 ! spec=Noesy-2013, no=155, id=154, vol=1.250400e+05
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   79 and name   HA)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name   HA) 2.217 0.614 0.614 weight 1.000 ! spec=Noesy-2013, no=173, id=172, vol=5.195501e+06
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name   HA)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HA2) 2.210 0.611 0.611 weight 1.000 ! spec=Noesy-2013, no=179, id=178, vol=5.332941e+06
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name   HA)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   37 and name   HA) 3.617 1.635 1.635 weight 1.000 ! spec=Noesy-2013, no=191, id=190, vol=2.970540e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   37 and name   HA)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   19 and name   HA) 3.780 1.786 1.786 weight 1.000 ! spec=Noesy-2013, no=192, id=191, vol=2.178120e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HA2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 1.864 1.864 4.136 weight 1.000 ! spec=Noesy-2013, no=202, id=201, vol=1.346510e+07
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   30 and name   HA) 3.400 1.445 1.445 weight 1.000 ! spec=Noesy-2013, no=208, id=207, vol=3.995820e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name   HA) 2.082 0.542 0.542 weight 1.000 ! spec=Noesy-2013, no=226, id=225, vol=7.475661e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name   HA)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HA) 2.287 0.654 0.654 weight 1.000 ! spec=Noesy-2013, no=230, id=229, vol=4.216237e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name   HA) 2.325 0.676 0.676 weight 1.000 ! spec=Noesy-2013, no=250, id=248, vol=3.747982e+06
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HB) 1.962 1.962 4.038 weight 1.000 ! spec=Noesy-2013, no=258, id=256, vol=1.054048e+07
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.302 0.663 0.663 weight 1.000 ! spec=Noesy-2013, no=260, id=258, vol=4.075415e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.087 2.087 3.913 weight 1.000 ! spec=Noesy-2013, no=263, id=261, vol=6.780961e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   41 and name   HA) 3.080 1.186 1.186 weight 1.000 ! spec=Noesy-2013, no=278, id=276, vol=7.322710e+05
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.836 1.005 1.005 weight 1.000 ! spec=Noesy-2013, no=284, id=282, vol=1.140140e+06
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   43 and name   HA) 3.345 1.398 1.398 weight 1.000 ! spec=Noesy-2013, no=289, id=287, vol=4.005220e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name   HB)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   48 and name   HA) 3.498 1.529 1.529 weight 1.000 ! spec=Noesy-2013, no=302, id=300, vol=3.160140e+05
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   48 and name   HA)
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   52 and name   HA)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   52 and name   HA)
assign (segid "   A" and resid   62 and name   HE) (segid "   A" and resid   62 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=Noesy-2013, no=305, id=303, vol=4.230980e+05
    or (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   42 and name   HB)
assign (segid "   A" and resid    3 and name   HE) (segid "   A" and resid    3 and name   HA) 3.544 1.570 1.570 weight 1.000 ! spec=Noesy-2013, no=314, id=312, vol=2.997910e+05
    or (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name  HB2) 3.438 3.438 2.562 weight 1.000 ! spec=Noesy-2013, no=346, id=344, vol=3.524280e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB2) 2.989 2.989 3.011 weight 1.000 ! spec=Noesy-2013, no=353, id=351, vol=7.740480e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB1) 2.021 0.511 0.511 weight 1.000 ! spec=Noesy-2013, no=354, id=352, vol=8.063013e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB2) 2.573 0.827 0.827 weight 1.000 ! spec=Noesy-2013, no=362, id=360, vol=2.008239e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name  HA1) 2.144 0.575 0.575 weight 1.000 ! spec=Noesy-2013, no=363, id=361, vol=6.162623e+06
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HA1)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HA1) 1.946 0.473 0.473 weight 1.000 ! spec=Noesy-2013, no=364, id=362, vol=1.078124e+07
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HA2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB1) 3.788 1.793 1.793 weight 1.000 ! spec=Noesy-2013, no=382, id=380, vol=1.807690e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name  HB2) 3.782 1.788 1.788 weight 1.000 ! spec=Noesy-2013, no=387, id=385, vol=2.124910e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   13 and name  HA1)
assign (segid "   A" and resid   17 and name   HE) (segid "   A" and resid   18 and name  HB1) 3.829 1.833 1.833 weight 1.000 ! spec=Noesy-2013, no=393, id=391, vol=1.502080e+05
    or (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   24 and name  HD2) 3.634 1.651 1.651 weight 1.000 ! spec=Noesy-2013, no=408, id=406, vol=2.564180e+05
    or (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   25 and name  HB2) 2.916 1.063 1.063 weight 1.000 ! spec=Noesy-2013, no=409, id=407, vol=9.587120e+05
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   24 and name  HD2)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   24 and name  HD2)
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   32 and name  HB2) 3.423 1.465 1.465 weight 1.000 ! spec=Noesy-2013, no=412, id=410, vol=3.584430e+05
    or (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid    3 and name   HE) (segid "   A" and resid    3 and name  HD2) 2.700 0.911 0.911 weight 1.000 ! spec=Noesy-2013, no=420, id=418, vol=1.590414e+06
    or (segid "   A" and resid    3 and name   HE) (segid "   A" and resid    3 and name  HD1)
assign (segid "   A" and resid   17 and name   HE) (segid "   A" and resid   17 and name  HD1) 2.195 0.602 0.602 weight 1.000 ! spec=Noesy-2013, no=421, id=419, vol=4.883456e+06
    or (segid "   A" and resid   17 and name   HE) (segid "   A" and resid   17 and name  HD2)
    or (segid "   A" and resid   75 and name   HE) (segid "   A" and resid   75 and name  HD1)
    or (segid "   A" and resid   75 and name   HE) (segid "   A" and resid   75 and name  HD2)
assign (segid "   A" and resid    7 and name   HE) (segid "   A" and resid    7 and name  HD2) 2.641 0.872 0.872 weight 1.000 ! spec=Noesy-2013, no=422, id=420, vol=1.767566e+06
    or (segid "   A" and resid    7 and name   HE) (segid "   A" and resid    7 and name  HD1)
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid    3 and name  HD2) 3.322 1.380 1.380 weight 1.000 ! spec=Noesy-2013, no=423, id=421, vol=4.365900e+05
    or (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid    3 and name  HD1)
assign (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   34 and name  HD2) 2.531 0.801 0.801 weight 1.000 ! spec=Noesy-2013, no=424, id=422, vol=2.226670e+06
    or (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    7 and name  HD2) 3.044 1.158 1.158 weight 1.000 ! spec=Noesy-2013, no=438, id=436, vol=7.637880e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name  HD2)
    or (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    7 and name  HD1)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name  HD1)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB1) 1.982 0.491 0.491 weight 1.000 ! spec=Noesy-2013, no=442, id=440, vol=9.732614e+06
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   46 and name  HB1) 2.983 1.112 1.112 weight 1.000 ! spec=Noesy-2013, no=445, id=443, vol=7.987160e+05
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   46 and name  HB1)
    or (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   49 and name  HB1)
assign (segid "   A" and resid   46 and name   HZ) (segid "   A" and resid   46 and name  HB1) 3.848 1.851 1.851 weight 1.000 ! spec=Noesy-2013, no=447, id=445, vol=3.475060e+05
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   58 and name  HB2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   36 and name  HE2) 3.747 1.755 1.755 weight 1.000 ! spec=Noesy-2013, no=453, id=451, vol=2.376540e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   36 and name  HE2)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HD1) 3.345 1.399 1.399 weight 1.000 ! spec=Noesy-2013, no=461, id=459, vol=4.511770e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HD1) 3.216 1.293 1.293 weight 1.000 ! spec=Noesy-2013, no=464, id=462, vol=7.486410e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   46 and name  HB2) 3.209 1.287 1.287 weight 1.000 ! spec=Noesy-2013, no=474, id=472, vol=5.687650e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HE2) 3.829 1.833 1.833 weight 1.000 ! spec=Noesy-2013, no=478, id=476, vol=1.761660e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HE1)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   25 and name  HB2) 3.799 1.804 1.804 weight 1.000 ! spec=Noesy-2013, no=481, id=479, vol=1.777430e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name  HD2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HD2) 3.738 1.747 1.747 weight 1.000 ! spec=Noesy-2013, no=483, id=481, vol=2.072430e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HD1)
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HD2) 3.430 1.470 1.470 weight 1.000 ! spec=Noesy-2013, no=490, id=488, vol=3.639370e+05
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HD1)
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HD2) 3.198 1.278 1.278 weight 1.000 ! spec=Noesy-2013, no=495, id=493, vol=5.464960e+05
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HD1)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.573 1.596 1.596 weight 1.000 ! spec=Noesy-2013, no=516, id=514, vol=2.849370e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   78 and name  HB1) 3.683 3.683 2.317 weight 1.000 ! spec=Noesy-2013, no=524, id=522, vol=2.460360e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   78 and name  HB1)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.324 0.675 0.675 weight 1.000 ! spec=Noesy-2013, no=527, id=525, vol=3.846657e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.618 0.857 0.857 weight 1.000 ! spec=Noesy-2013, no=528, id=526, vol=2.035475e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HB2) 2.635 0.868 0.868 weight 1.000 ! spec=Noesy-2013, no=533, id=531, vol=1.858729e+06
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name  HB2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HE2) 3.339 1.393 1.393 weight 1.000 ! spec=Noesy-2013, no=541, id=539, vol=4.650420e+05
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   36 and name  HE2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.228 0.621 0.621 weight 1.000 ! spec=Noesy-2013, no=550, id=548, vol=4.859326e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB1)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.779 3.779 2.221 weight 1.000 ! spec=Noesy-2013, no=552, id=550, vol=2.088930e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB2) 2.578 0.831 0.831 weight 1.000 ! spec=Noesy-2013, no=562, id=560, vol=2.033394e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name  HB2)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.814 0.990 0.990 weight 1.000 ! spec=Noesy-2013, no=566, id=564, vol=1.152623e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   21 and name  HB1)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.676 1.689 1.689 weight 1.000 ! spec=Noesy-2013, no=572, id=570, vol=2.200530e+05
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   45 and name  HB1)
assign (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   49 and name  HB2) 3.331 3.331 2.669 weight 1.000 ! spec=Noesy-2013, no=588, id=586, vol=4.332420e+05
    or (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   59 and name  HB2) 3.460 1.497 1.497 weight 1.000 ! spec=Noesy-2013, no=601, id=599, vol=3.335810e+05
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   59 and name  HB1)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name  HB2) 3.253 1.323 1.323 weight 1.000 ! spec=Noesy-2013, no=602, id=600, vol=4.813620e+05
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name  HB1)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    7 and name  HB1) 3.305 1.365 1.365 weight 1.000 ! spec=Noesy-2013, no=615, id=613, vol=4.862360e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   67 and name  HB2) 3.244 1.315 1.315 weight 1.000 ! spec=Noesy-2013, no=641, id=639, vol=5.163450e+05
    or (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   67 and name  HB1)
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    7 and name  HB1) 3.615 1.634 1.634 weight 1.000 ! spec=Noesy-2013, no=643, id=641, vol=2.956080e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   57 and name   HB) 3.327 1.383 1.383 weight 1.000 ! spec=Noesy-2013, no=647, id=645, vol=4.027120e+05
    or (segid "   A" and resid   50 and name HE21) (segid "   A" and resid   50 and name  HB2)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HB2) 2.417 0.730 0.730 weight 1.000 ! spec=Noesy-2013, no=651, id=649, vol=3.000360e+06
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name  HG2)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name  HG1)
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HB2) 2.770 0.959 0.959 weight 1.000 ! spec=Noesy-2013, no=655, id=653, vol=1.403147e+06
    or (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HB1)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   52 and name  HB1) 2.966 1.100 1.100 weight 1.000 ! spec=Noesy-2013, no=657, id=655, vol=8.962320e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name  HB1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.382 0.709 0.709 weight 1.000 ! spec=Noesy-2013, no=658, id=656, vol=3.374823e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HB2) 2.365 2.365 3.635 weight 1.000 ! spec=Noesy-2013, no=659, id=657, vol=3.458812e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB1)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   74 and name  HB1) 3.256 1.325 1.325 weight 1.000 ! spec=Noesy-2013, no=669, id=667, vol=5.201460e+05
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   74 and name  HB2)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   52 and name  HB2) 2.889 1.043 1.043 weight 1.000 ! spec=Noesy-2013, no=672, id=670, vol=1.042026e+06
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HD2) 3.688 1.700 1.700 weight 1.000 ! spec=Noesy-2013, no=677, id=675, vol=2.503720e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HD1)
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    3 and name  HB1) 3.346 1.399 1.399 weight 1.000 ! spec=Noesy-2013, no=680, id=678, vol=4.412450e+05
    or (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    2 and name  HG2) 3.280 3.280 2.720 weight 1.000 ! spec=Noesy-2013, no=682, id=680, vol=4.857440e+05
    or (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    3 and name  HG2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HG2) 3.801 1.806 1.806 weight 1.000 ! spec=Noesy-2013, no=683, id=681, vol=2.335690e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HG2)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HG1)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid   36 and name  HD1) 3.529 1.557 1.557 weight 1.000 ! spec=Noesy-2013, no=689, id=687, vol=3.165620e+05
    or (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   36 and name  HD2)
    or (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   36 and name  HD1)
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name  HD1) 3.611 1.630 1.630 weight 1.000 ! spec=Noesy-2013, no=693, id=691, vol=3.056460e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name  HG2)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.416 0.730 0.730 weight 1.000 ! spec=Noesy-2013, no=705, id=703, vol=2.916923e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB1)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.377 1.425 1.425 weight 1.000 ! spec=Noesy-2013, no=706, id=704, vol=3.962170e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name  HB1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.161 1.249 1.249 weight 1.000 ! spec=Noesy-2013, no=717, id=715, vol=6.641620e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.916 1.063 1.063 weight 1.000 ! spec=Noesy-2013, no=719, id=717, vol=9.903050e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.107 1.207 1.207 weight 1.000 ! spec=Noesy-2013, no=722, id=720, vol=6.983130e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HB1) 2.899 1.051 1.051 weight 1.000 ! spec=Noesy-2013, no=734, id=732, vol=1.006427e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   40 and name   HB) 3.377 1.426 1.426 weight 1.000 ! spec=Noesy-2013, no=736, id=734, vol=4.057530e+05
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   67 and name  HB1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   41 and name  HB1) 3.803 1.808 1.808 weight 1.000 ! spec=Noesy-2013, no=738, id=736, vol=1.954240e+05
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   57 and name   HB)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HB) 2.649 2.649 3.351 weight 1.000 ! spec=Noesy-2013, no=745, id=743, vol=1.676164e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HB1)
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   65 and name  HB2) 2.974 2.974 3.026 weight 1.000 ! spec=Noesy-2013, no=747, id=745, vol=9.944230e+05
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   65 and name  HB1)
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name  HB1) 2.565 0.823 0.823 weight 1.000 ! spec=Noesy-2013, no=751, id=749, vol=2.162665e+06
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name  HB2)
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HB2) 2.824 2.824 3.176 weight 1.000 ! spec=Noesy-2013, no=752, id=750, vol=1.298494e+06
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name  HG1)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB1) 1.978 0.489 0.489 weight 1.000 ! spec=Noesy-2013, no=756, id=754, vol=9.211629e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   67 and name  HB1) 3.461 1.498 1.498 weight 1.000 ! spec=Noesy-2013, no=758, id=756, vol=3.559410e+05
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   67 and name  HB2)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name  HB1) 2.066 0.534 0.534 weight 1.000 ! spec=Noesy-2013, no=760, id=758, vol=7.052257e+06
    or (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name  HB2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HD1) 2.446 0.748 0.748 weight 1.000 ! spec=Noesy-2013, no=762, id=760, vol=2.543411e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HD2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name  HG2) 3.711 1.722 1.722 weight 1.000 ! spec=Noesy-2013, no=763, id=761, vol=2.299420e+05
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   52 and name  HB2)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HD1) 2.777 0.964 0.964 weight 1.000 ! spec=Noesy-2013, no=766, id=764, vol=1.343339e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HD2)
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HB1) 2.178 0.593 0.593 weight 1.000 ! spec=Noesy-2013, no=768, id=766, vol=5.696978e+06
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HB2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HG2) 3.408 1.452 1.452 weight 1.000 ! spec=Noesy-2013, no=773, id=771, vol=4.011640e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HG1)
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name  HG1) 3.342 1.396 1.396 weight 1.000 ! spec=Noesy-2013, no=776, id=774, vol=4.524270e+05
    or (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name  HG2)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name  HG1) 3.501 1.533 1.533 weight 1.000 ! spec=Noesy-2013, no=778, id=776, vol=3.706420e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name  HG2)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   52 and name  HG1) 3.376 1.425 1.425 weight 1.000 ! spec=Noesy-2013, no=779, id=777, vol=4.227330e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name  HG1)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name  HB2) 2.599 0.844 0.844 weight 1.000 ! spec=Noesy-2013, no=783, id=781, vol=2.206694e+06
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name  HB1)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HG1) 2.554 0.815 0.815 weight 1.000 ! spec=Noesy-2013, no=786, id=784, vol=2.197434e+06
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HG2)
assign (segid "   A" and resid    3 and name   HE) (segid "   A" and resid    3 and name  HB1) 2.834 1.004 1.004 weight 1.000 ! spec=Noesy-2013, no=790, id=788, vol=1.140071e+06
    or (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   74 and name  HB1) 2.800 2.800 3.200 weight 1.000 ! spec=Noesy-2013, no=791, id=789, vol=1.106048e+06
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   74 and name  HB2)
assign (segid "   A" and resid   75 and name   HE) (segid "   A" and resid   75 and name  HG1) 2.819 0.994 0.994 weight 1.000 ! spec=Noesy-2013, no=793, id=791, vol=1.107045e+06
    or (segid "   A" and resid   17 and name   HE) (segid "   A" and resid   17 and name  HG1)
    or (segid "   A" and resid   17 and name   HE) (segid "   A" and resid   17 and name  HG2)
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   52 and name  HD1) 3.665 1.679 1.679 weight 1.000 ! spec=Noesy-2013, no=802, id=800, vol=2.435340e+05
    or (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   52 and name  HG2)
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   80 and name  HG2) 3.446 1.484 1.484 weight 1.000 ! spec=Noesy-2013, no=803, id=801, vol=3.321840e+05
    or (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   80 and name  HG1)
assign (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   68 and name  HB2) 3.622 1.640 1.640 weight 1.000 ! spec=Noesy-2013, no=804, id=802, vol=2.802380e+05
    or (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   68 and name   HG)
    or (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   68 and name  HB1)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   26 and name  HB1) 3.403 1.448 1.448 weight 1.000 ! spec=Noesy-2013, no=809, id=807, vol=3.937790e+05
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   80 and name  HG2) 3.390 1.437 1.437 weight 1.000 ! spec=Noesy-2013, no=811, id=809, vol=4.120230e+05
    or (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   80 and name  HG1)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   24 and name  HB1) 2.982 1.112 1.112 weight 1.000 ! spec=Noesy-2013, no=818, id=816, vol=8.439310e+05
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   43 and name HG22)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   43 and name HG23)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   43 and name HG22)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   43 and name HG23)
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   24 and name  HB1) 3.261 3.261 2.739 weight 1.000 ! spec=Noesy-2013, no=827, id=825, vol=4.924290e+05
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   43 and name HG22)
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   43 and name HG23)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   43 and name HG22)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   43 and name HG23)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HG21) 2.658 2.658 3.342 weight 1.000 ! spec=Noesy-2013, no=831, id=829, vol=1.682277e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HG23)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name HG22)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   30 and name HG21)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   30 and name HG23)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   30 and name HG22)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name HG22) 3.640 1.657 1.657 weight 1.000 ! spec=Noesy-2013, no=833, id=831, vol=2.535310e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name HG23)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   43 and name HG22)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   43 and name HG23)
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name HG22) 3.060 1.171 1.171 weight 1.000 ! spec=Noesy-2013, no=844, id=842, vol=7.101900e+05
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name HG23)
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name HG12)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG13) 2.585 0.835 0.835 weight 1.000 ! spec=Noesy-2013, no=853, id=851, vol=1.931906e+06
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG22)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG23)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   57 and name HG22) 2.986 1.115 1.115 weight 1.000 ! spec=Noesy-2013, no=866, id=864, vol=7.684020e+05
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   57 and name HG23)
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   57 and name HG12)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   40 and name HG12) 3.479 3.479 2.521 weight 1.000 ! spec=Noesy-2013, no=871, id=869, vol=3.302990e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   40 and name HG11)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   40 and name HG12)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   30 and name HG21) 3.058 1.169 1.169 weight 1.000 ! spec=Noesy-2013, no=883, id=881, vol=7.251280e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   30 and name HG23)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   30 and name HG22)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name HG21)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name HG23)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name HG22)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HG1) 2.778 0.964 0.964 weight 1.000 ! spec=Noesy-2013, no=888, id=886, vol=1.407897e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HG2)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HB2) 2.802 0.981 0.981 weight 1.000 ! spec=Noesy-2013, no=895, id=893, vol=1.259521e+06
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HB1)
assign (segid "   A" and resid   47 and name  HE1) (segid "   A" and resid   68 and name  HB1) 3.820 1.824 1.824 weight 1.000 ! spec=Noesy-2013, no=901, id=899, vol=1.980280e+05
    or (segid "   A" and resid   47 and name  HE1) (segid "   A" and resid   68 and name  HB2)
    or (segid "   A" and resid   47 and name  HE1) (segid "   A" and resid   68 and name   HG)
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   68 and name  HB1)
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name  HG2) 3.292 1.355 1.355 weight 1.000 ! spec=Noesy-2013, no=903, id=901, vol=4.922250e+05
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name  HG1)
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name  HG2) 2.764 2.764 3.236 weight 1.000 ! spec=Noesy-2013, no=905, id=903, vol=1.298716e+06
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name  HG1)
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name  HB2) 3.124 1.220 1.220 weight 1.000 ! spec=Noesy-2013, no=907, id=905, vol=6.895750e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   16 and name HG11)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HD2) 3.867 1.869 1.869 weight 1.000 ! spec=Noesy-2013, no=912, id=910, vol=1.630990e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HD1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HG2) 3.758 1.765 1.765 weight 1.000 ! spec=Noesy-2013, no=913, id=911, vol=2.128500e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HG1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   36 and name  HG1) 3.727 1.736 1.736 weight 1.000 ! spec=Noesy-2013, no=918, id=916, vol=2.168650e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   36 and name  HG2)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HG1) 3.210 1.288 1.288 weight 1.000 ! spec=Noesy-2013, no=919, id=917, vol=5.592510e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HG2)
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   59 and name  HG2) 3.254 3.254 2.746 weight 1.000 ! spec=Noesy-2013, no=938, id=936, vol=4.906020e+05
    or (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   59 and name  HG1)
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG13) 2.180 0.594 0.594 weight 1.000 ! spec=Noesy-2013, no=947, id=945, vol=5.608064e+06
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG22)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG23)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   16 and name HD13) 3.703 1.714 1.714 weight 1.000 ! spec=Noesy-2013, no=948, id=946, vol=2.399520e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name HG23)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name HG22)
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   57 and name HG22) 2.870 1.030 1.030 weight 1.000 ! spec=Noesy-2013, no=952, id=950, vol=1.159175e+06
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   57 and name HG23)
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   57 and name HG12)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   57 and name HG13) 2.714 0.921 0.921 weight 1.000 ! spec=Noesy-2013, no=958, id=956, vol=1.521577e+06
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   57 and name HG22)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   57 and name HG23)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   57 and name HG22) 3.169 1.256 1.256 weight 1.000 ! spec=Noesy-2013, no=959, id=957, vol=6.847310e+05
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   57 and name HG23)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   57 and name HG12)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name HG23) 3.199 1.279 1.279 weight 1.000 ! spec=Noesy-2013, no=967, id=965, vol=6.276400e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name HG22)
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   82 and name HD11)
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   82 and name HD13)
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   82 and name HD12)
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD11) 2.814 0.990 0.990 weight 1.000 ! spec=Noesy-2013, no=980, id=978, vol=1.210328e+06
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD13)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD12)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD21)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD23)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name HD22)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name   HA) 3.342 1.396 1.396 weight 1.000 ! spec=Noesy-2013, no=1000, id=998, vol=4.400450e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   14 and name  HB1) 3.121 1.218 1.218 weight 1.000 ! spec=Noesy-2013, no=1005, id=1003, vol=6.638250e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   22 and name  HB2) 4.098 2.099 2.099 weight 1.000 ! spec=Noesy-2013, no=1010, id=1008, vol=1.243060e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   41 and name  HB1)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   41 and name  HB1)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   26 and name  HB1) 3.028 1.146 1.146 weight 1.000 ! spec=Noesy-2013, no=1028, id=1026, vol=7.626160e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   27 and name  HB3)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   36 and name  HG1) 3.727 1.736 1.736 weight 1.000 ! spec=Noesy-2013, no=1033, id=1031, vol=2.286490e+05
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   36 and name  HG2)
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name HG22) 2.651 0.878 0.878 weight 1.000 ! spec=Noesy-2013, no=1036, id=1034, vol=1.763293e+06
    or (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name HG23)
    or (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name HG12)
assign (segid "   A" and resid   72 and name  HB1) (segid "   A" and resid   71 and name   HA) 3.754 1.762 1.762 weight 1.000 ! spec=Noesy-2013, no=1051, id=1049, vol=2.186840e+05
    or (segid "   A" and resid   67 and name  HG2) (segid "   A" and resid   79 and name   HA)
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   79 and name   HA) 3.036 1.152 1.152 weight 1.000 ! spec=Noesy-2013, no=1053, id=1051, vol=7.640650e+05
    or (segid "   A" and resid   65 and name  HB1) (segid "   A" and resid   79 and name   HA)
assign (segid "   A" and resid   72 and name  HB2) (segid "   A" and resid   71 and name   HA) 3.629 1.646 1.646 weight 1.000 ! spec=Noesy-2013, no=1055, id=1053, vol=2.671970e+05
    or (segid "   A" and resid   72 and name  HG1) (segid "   A" and resid   71 and name   HA)
assign (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   79 and name   HA) 3.203 1.282 1.282 weight 1.000 ! spec=Noesy-2013, no=1061, id=1059, vol=5.152420e+05
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   79 and name   HA)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   79 and name   HA)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   79 and name   HA)
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   79 and name   HA)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   79 and name   HA)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   24 and name   HA) 3.391 1.437 1.437 weight 1.000 ! spec=Noesy-2013, no=1068, id=1066, vol=3.740390e+05
    or (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   80 and name  HE2) (segid "   A" and resid   67 and name   HA) 3.334 1.389 1.389 weight 1.000 ! spec=Noesy-2013, no=1079, id=1077, vol=4.602320e+05
    or (segid "   A" and resid   80 and name  HE1) (segid "   A" and resid   67 and name   HA)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.087 0.544 0.544 weight 1.000 ! spec=Noesy-2013, no=1082, id=1080, vol=7.070685e+06
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   59 and name  HD1) (segid "   A" and resid   76 and name   HA) 2.495 0.778 0.778 weight 1.000 ! spec=Noesy-2013, no=1083, id=1081, vol=2.513461e+06
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HA) 2.402 0.721 0.721 weight 1.000 ! spec=Noesy-2013, no=1086, id=1084, vol=3.098830e+06
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   26 and name   HA) 2.677 0.896 0.896 weight 1.000 ! spec=Noesy-2013, no=1087, id=1085, vol=1.661753e+06
    or (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name   HA) 2.424 0.734 0.734 weight 1.000 ! spec=Noesy-2013, no=1102, id=1100, vol=3.162423e+06
    or (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   67 and name   HA)
assign (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name   HA) 2.710 0.918 0.918 weight 1.000 ! spec=Noesy-2013, no=1103, id=1101, vol=1.631017e+06
    or (segid "   A" and resid   67 and name  HG1) (segid "   A" and resid   67 and name   HA)
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   24 and name   HA) 2.386 0.712 0.712 weight 1.000 ! spec=Noesy-2013, no=1106, id=1104, vol=3.411103e+06
    or (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   25 and name   HA) 3.194 1.275 1.275 weight 1.000 ! spec=Noesy-2013, no=1107, id=1105, vol=6.104790e+05
    or (segid "   A" and resid   59 and name  HG2) (segid "   A" and resid   76 and name   HA)
    or (segid "   A" and resid   59 and name  HG1) (segid "   A" and resid   76 and name   HA)
assign (segid "   A" and resid   23 and name  HD1) (segid "   A" and resid   24 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=Noesy-2013, no=1111, id=1109, vol=7.827880e+05
    or (segid "   A" and resid   23 and name  HD2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   24 and name   HA) 3.198 1.278 1.278 weight 1.000 ! spec=Noesy-2013, no=1112, id=1110, vol=5.737130e+05
    or (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   67 and name   HA) 2.915 1.062 1.062 weight 1.000 ! spec=Noesy-2013, no=1115, id=1113, vol=1.010223e+06
    or (segid "   A" and resid   80 and name  HG1) (segid "   A" and resid   67 and name   HA)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   26 and name   HA) 3.308 1.368 1.368 weight 1.000 ! spec=Noesy-2013, no=1120, id=1118, vol=5.011930e+05
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HA) 2.107 0.555 0.555 weight 1.000 ! spec=Noesy-2013, no=1127, id=1125, vol=6.523540e+06
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   57 and name   HA)
assign (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   76 and name   HA) 2.908 1.057 1.057 weight 1.000 ! spec=Noesy-2013, no=1132, id=1130, vol=1.364187e+06
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   76 and name   HA)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   76 and name   HA)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   63 and name   HA)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   63 and name   HA)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   63 and name   HA)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   63 and name   HA)
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   63 and name   HA)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   63 and name   HA)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   17 and name   HA) 2.825 2.825 3.175 weight 1.000 ! spec=Noesy-2013, no=1138, id=1136, vol=1.259375e+06
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid    8 and name   HA) 3.064 3.064 2.936 weight 1.000 ! spec=Noesy-2013, no=1140, id=1138, vol=6.916340e+05
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   48 and name   HA)
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   48 and name   HA)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   41 and name   HA) 2.688 0.903 0.903 weight 1.000 ! spec=Noesy-2013, no=1141, id=1139, vol=1.626879e+06
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   62 and name   HA)
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   62 and name   HA)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   17 and name   HA) 3.225 3.225 2.775 weight 1.000 ! spec=Noesy-2013, no=1161, id=1159, vol=5.293260e+05
    or (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   23 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=Noesy-2013, no=1171, id=1169, vol=8.158150e+05
    or (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   52 and name  HG2) (segid "   A" and resid   52 and name   HA) 2.471 0.763 0.763 weight 1.000 ! spec=Noesy-2013, no=1172, id=1170, vol=2.801840e+06
    or (segid "   A" and resid   52 and name  HD1) (segid "   A" and resid   52 and name   HA)
assign (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name   HA) 2.666 0.889 0.889 weight 1.000 ! spec=Noesy-2013, no=1173, id=1171, vol=1.752959e+06
    or (segid "   A" and resid   80 and name  HG1) (segid "   A" and resid   80 and name   HA)
assign (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name   HA) 2.515 0.790 0.790 weight 1.000 ! spec=Noesy-2013, no=1176, id=1174, vol=2.637084e+06
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   33 and name   HA) 2.779 2.779 3.221 weight 1.000 ! spec=Noesy-2013, no=1178, id=1176, vol=1.423552e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   17 and name   HA) 3.464 1.500 1.500 weight 1.000 ! spec=Noesy-2013, no=1181, id=1179, vol=3.313720e+05
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.351 0.691 0.691 weight 1.000 ! spec=Noesy-2013, no=1182, id=1180, vol=3.830276e+06
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name   HA) 2.540 0.806 0.806 weight 1.000 ! spec=Noesy-2013, no=1184, id=1182, vol=2.281981e+06
    or (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   65 and name  HB1) (segid "   A" and resid   65 and name   HA) 2.356 0.694 0.694 weight 1.000 ! spec=Noesy-2013, no=1185, id=1183, vol=3.580031e+06
    or (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   65 and name   HA)
assign (segid "   A" and resid   75 and name  HB1) (segid "   A" and resid   59 and name   HA) 3.636 1.653 1.653 weight 1.000 ! spec=Noesy-2013, no=1190, id=1188, vol=2.983100e+05
    or (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   51 and name   HA)
assign (segid "   A" and resid   80 and name  HD1) (segid "   A" and resid   80 and name   HA) 2.988 1.116 1.116 weight 1.000 ! spec=Noesy-2013, no=1193, id=1191, vol=8.597080e+05
    or (segid "   A" and resid   80 and name  HD2) (segid "   A" and resid   80 and name   HA)
assign (segid "   A" and resid   62 and name  HB1) (segid "   A" and resid   62 and name   HA) 2.410 0.726 0.726 weight 1.000 ! spec=Noesy-2013, no=1198, id=1196, vol=3.228648e+06
    or (segid "   A" and resid   62 and name  HB2) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   68 and name   HA) 3.228 1.303 1.303 weight 1.000 ! spec=Noesy-2013, no=1202, id=1200, vol=5.947590e+05
    or (segid "   A" and resid   61 and name   HB) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid    3 and name  HG2) (segid "   A" and resid    3 and name   HA) 2.399 0.719 0.719 weight 1.000 ! spec=Noesy-2013, no=1208, id=1206, vol=3.297524e+06
    or (segid "   A" and resid    3 and name  HG1) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid   75 and name  HG2) (segid "   A" and resid   74 and name   HA) 3.121 3.121 2.879 weight 1.000 ! spec=Noesy-2013, no=1209, id=1207, vol=7.257730e+05
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   82 and name   HA)
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name   HA) 2.185 0.597 0.597 weight 1.000 ! spec=Noesy-2013, no=1213, id=1211, vol=5.690349e+06
    or (segid "   A" and resid   74 and name  HB2) (segid "   A" and resid   74 and name   HA)
assign (segid "   A" and resid   59 and name  HB1) (segid "   A" and resid   59 and name   HA) 2.259 0.638 0.638 weight 1.000 ! spec=Noesy-2013, no=1220, id=1218, vol=4.457623e+06
    or (segid "   A" and resid   59 and name  HB2) (segid "   A" and resid   59 and name   HA)
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.318 2.318 3.682 weight 1.000 ! spec=Noesy-2013, no=1227, id=1225, vol=3.732501e+06
    or (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name   HA) 2.558 0.818 0.818 weight 1.000 ! spec=Noesy-2013, no=1234, id=1232, vol=2.302964e+06
    or (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   78 and name  HB1) (segid "   A" and resid   70 and name   HA) 3.501 1.532 1.532 weight 1.000 ! spec=Noesy-2013, no=1248, id=1246, vol=3.087710e+05
    or (segid "   A" and resid   78 and name  HB1) (segid "   A" and resid   77 and name   HA)
assign (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   35 and name   HA) 2.451 0.751 0.751 weight 1.000 ! spec=Noesy-2013, no=1251, id=1249, vol=3.031732e+06
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   62 and name  HD1) (segid "   A" and resid   62 and name   HA) 3.127 1.222 1.222 weight 1.000 ! spec=Noesy-2013, no=1253, id=1251, vol=6.699630e+05
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid   53 and name  HA1) (segid "   A" and resid   51 and name   HA) 2.915 2.915 3.085 weight 1.000 ! spec=Noesy-2013, no=1261, id=1259, vol=9.948120e+05
    or (segid "   A" and resid   53 and name  HA1) (segid "   A" and resid   54 and name  HA1)
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA) 1.834 0.421 0.421 weight 1.000 ! spec=Noesy-2013, no=1267, id=1265, vol=1.279199e+07
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   75 and name  HD2) (segid "   A" and resid   75 and name   HA) 2.916 1.063 1.063 weight 1.000 ! spec=Noesy-2013, no=1271, id=1269, vol=9.579100e+05
    or (segid "   A" and resid   75 and name  HD1) (segid "   A" and resid   75 and name   HA)
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    3 and name   HA) 3.036 1.152 1.152 weight 1.000 ! spec=Noesy-2013, no=1272, id=1270, vol=7.860780e+05
    or (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    7 and name  HD1) 2.479 0.768 0.768 weight 1.000 ! spec=Noesy-2013, no=1288, id=1286, vol=2.674638e+06
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   25 and name  HB2) 2.511 0.788 0.788 weight 1.000 ! spec=Noesy-2013, no=1291, id=1289, vol=2.441056e+06
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   22 and name  HD2) 2.664 0.887 0.887 weight 1.000 ! spec=Noesy-2013, no=1295, id=1293, vol=1.671433e+06
    or (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   22 and name  HD1) 2.914 1.061 1.061 weight 1.000 ! spec=Noesy-2013, no=1296, id=1294, vol=9.951410e+05
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   79 and name  HB2) 2.001 0.500 0.500 weight 1.000 ! spec=Noesy-2013, no=1314, id=1312, vol=9.794381e+06
    or (segid "   A" and resid   63 and name  HB1) (segid "   A" and resid   63 and name  HB2)
assign (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   34 and name  HD1) 3.504 1.534 1.534 weight 1.000 ! spec=Noesy-2013, no=1315, id=1313, vol=4.124720e+05
    or (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   34 and name  HD2)
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name  HD1) 2.698 0.910 0.910 weight 1.000 ! spec=Noesy-2013, no=1329, id=1327, vol=1.641346e+06
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name  HD2)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HD2) 2.977 1.108 1.108 weight 1.000 ! spec=Noesy-2013, no=1330, id=1328, vol=9.966480e+05
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HD2) 2.761 0.953 0.953 weight 1.000 ! spec=Noesy-2013, no=1332, id=1330, vol=1.450007e+06
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HD2) 2.828 1.000 1.000 weight 1.000 ! spec=Noesy-2013, no=1334, id=1332, vol=1.472374e+06
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HD1)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name  HD2) 2.808 0.986 0.986 weight 1.000 ! spec=Noesy-2013, no=1335, id=1333, vol=1.238836e+06
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name  HD1)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HD1) 2.085 0.544 0.544 weight 1.000 ! spec=Noesy-2013, no=1336, id=1334, vol=7.467631e+06
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HD2)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HD1) 2.213 0.612 0.612 weight 1.000 ! spec=Noesy-2013, no=1337, id=1335, vol=5.236132e+06
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HD2) 2.089 0.545 0.545 weight 1.000 ! spec=Noesy-2013, no=1338, id=1336, vol=7.592909e+06
    or (segid "   A" and resid   75 and name  HG1) (segid "   A" and resid   75 and name  HD2)
    or (segid "   A" and resid   75 and name  HG1) (segid "   A" and resid   75 and name  HD1)
    or (segid "   A" and resid   75 and name  HG2) (segid "   A" and resid   75 and name  HD2)
    or (segid "   A" and resid   75 and name  HG2) (segid "   A" and resid   75 and name  HD1)
    or (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HD2)
    or (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HD1)
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HD2) 2.380 0.708 0.708 weight 1.000 ! spec=Noesy-2013, no=1339, id=1337, vol=3.597188e+06
    or (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   62 and name  HB1) (segid "   A" and resid   62 and name  HD2) 2.784 0.969 0.969 weight 1.000 ! spec=Noesy-2013, no=1340, id=1338, vol=1.317350e+06
    or (segid "   A" and resid   62 and name  HB2) (segid "   A" and resid   62 and name  HD1)
    or (segid "   A" and resid   62 and name  HB2) (segid "   A" and resid   62 and name  HD2)
    or (segid "   A" and resid   62 and name  HB1) (segid "   A" and resid   62 and name  HD1)
assign (segid "   A" and resid    3 and name  HG1) (segid "   A" and resid   32 and name  HB2) 2.932 2.932 3.068 weight 1.000 ! spec=Noesy-2013, no=1342, id=1340, vol=9.517830e+05
    or (segid "   A" and resid    3 and name  HG2) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid    1 and name   HG) (segid "   A" and resid    6 and name  HB2) 3.296 1.358 1.358 weight 1.000 ! spec=Noesy-2013, no=1345, id=1343, vol=4.661390e+05
    or (segid "   A" and resid    1 and name   HG) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    6 and name  HB1) 2.874 1.033 1.033 weight 1.000 ! spec=Noesy-2013, no=1351, id=1349, vol=1.043014e+06
    or (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    6 and name  HB2) 3.181 1.265 1.265 weight 1.000 ! spec=Noesy-2013, no=1355, id=1353, vol=5.063440e+05
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid   74 and name  HG2) (segid "   A" and resid   74 and name   HA) 2.598 0.844 0.844 weight 1.000 ! spec=Noesy-2013, no=1357, id=1355, vol=2.048148e+06
    or (segid "   A" and resid   74 and name  HG1) (segid "   A" and resid   74 and name   HA)
assign (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    6 and name  HB2) 2.879 1.036 1.036 weight 1.000 ! spec=Noesy-2013, no=1369, id=1367, vol=1.018934e+06
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   32 and name  HB1) 3.116 1.213 1.213 weight 1.000 ! spec=Noesy-2013, no=1378, id=1376, vol=6.526110e+05
    or (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   60 and name  HG2) (segid "   A" and resid   58 and name  HB1) 3.441 1.480 1.480 weight 1.000 ! spec=Noesy-2013, no=1380, id=1378, vol=3.737010e+05
    or (segid "   A" and resid   60 and name  HG1) (segid "   A" and resid   58 and name  HB1)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HD2) 2.638 0.870 0.870 weight 1.000 ! spec=Noesy-2013, no=1381, id=1379, vol=1.662552e+06
    or (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   78 and name  HB2)
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   78 and name  HB2)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   78 and name  HB2)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   34 and name  HD2) 2.716 0.922 0.922 weight 1.000 ! spec=Noesy-2013, no=1384, id=1382, vol=1.338657e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   34 and name  HD2)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   34 and name  HD2)
    or (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   34 and name  HD1)
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   34 and name  HD1)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   62 and name  HG2) (segid "   A" and resid   62 and name  HD2) 2.747 0.943 0.943 weight 1.000 ! spec=Noesy-2013, no=1388, id=1386, vol=1.439123e+06
    or (segid "   A" and resid   62 and name  HG2) (segid "   A" and resid   62 and name  HD1)
assign (segid "   A" and resid   62 and name  HG1) (segid "   A" and resid   62 and name  HD1) 2.563 0.821 0.821 weight 1.000 ! spec=Noesy-2013, no=1389, id=1387, vol=2.106544e+06
    or (segid "   A" and resid   62 and name  HG1) (segid "   A" and resid   62 and name  HD2)
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD2) 2.408 0.725 0.725 weight 1.000 ! spec=Noesy-2013, no=1390, id=1388, vol=3.202616e+06
    or (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   19 and name  HE2) 2.331 2.331 3.669 weight 1.000 ! spec=Noesy-2013, no=1392, id=1390, vol=3.761773e+06
    or (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   19 and name  HE1)
    or (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   19 and name  HE2)
    or (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   19 and name  HE1)
assign (segid "   A" and resid   80 and name  HD2) (segid "   A" and resid   80 and name  HE2) 2.180 0.594 0.594 weight 1.000 ! spec=Noesy-2013, no=1393, id=1391, vol=5.696588e+06
    or (segid "   A" and resid   80 and name  HD2) (segid "   A" and resid   80 and name  HE1)
    or (segid "   A" and resid   80 and name  HD1) (segid "   A" and resid   80 and name  HE2)
    or (segid "   A" and resid   80 and name  HD1) (segid "   A" and resid   80 and name  HE1)
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   74 and name  HE1) 2.907 2.907 3.093 weight 1.000 ! spec=Noesy-2013, no=1394, id=1392, vol=1.119860e+06
    or (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   74 and name  HE2)
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name  HE1) 3.053 1.165 1.165 weight 1.000 ! spec=Noesy-2013, no=1395, id=1393, vol=7.847480e+05
    or (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name  HE2)
assign (segid "   A" and resid   80 and name  HG1) (segid "   A" and resid   80 and name  HE1) 2.553 0.815 0.815 weight 1.000 ! spec=Noesy-2013, no=1396, id=1394, vol=2.222144e+06
    or (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name  HE2)
    or (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name  HE1)
assign (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   63 and name  HB2) 2.270 0.644 0.644 weight 1.000 ! spec=Noesy-2013, no=1402, id=1400, vol=4.343492e+06
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   63 and name  HB2)
assign (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   62 and name  HD1) 3.168 3.168 2.832 weight 1.000 ! spec=Noesy-2013, no=1403, id=1401, vol=5.968850e+05
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   62 and name  HD1)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   62 and name  HD1)
    or (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   62 and name  HD2)
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   62 and name  HD2)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   62 and name  HD2)
assign (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   55 and name  HB2) 2.991 1.118 1.118 weight 1.000 ! spec=Noesy-2013, no=1406, id=1404, vol=7.973300e+05
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   55 and name  HB2)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   55 and name  HB2)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   55 and name  HB2)
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   55 and name  HB2)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   55 and name  HB2)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   14 and name  HB2) 3.115 1.213 1.213 weight 1.000 ! spec=Noesy-2013, no=1411, id=1409, vol=6.012610e+05
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HE2) 2.658 0.883 0.883 weight 1.000 ! spec=Noesy-2013, no=1413, id=1411, vol=1.784407e+06
    or (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   36 and name  HE2)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HE1) 2.895 1.047 1.047 weight 1.000 ! spec=Noesy-2013, no=1414, id=1412, vol=1.151980e+06
    or (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   36 and name  HE1)
assign (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name  HE2) 2.803 0.982 0.982 weight 1.000 ! spec=Noesy-2013, no=1417, id=1415, vol=1.314114e+06
    or (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   36 and name  HE2)
assign (segid "   A" and resid   52 and name  HD2) (segid "   A" and resid   52 and name  HE1) 2.596 0.843 0.843 weight 1.000 ! spec=Noesy-2013, no=1418, id=1416, vol=2.016273e+06
    or (segid "   A" and resid   52 and name  HD1) (segid "   A" and resid   52 and name  HE1)
assign (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   36 and name  HE1) 3.159 1.247 1.247 weight 1.000 ! spec=Noesy-2013, no=1419, id=1417, vol=6.486550e+05
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   36 and name  HE1)
assign (segid "   A" and resid   80 and name  HD1) (segid "   A" and resid   52 and name  HE1) 3.316 1.375 1.375 weight 1.000 ! spec=Noesy-2013, no=1420, id=1418, vol=3.169020e+05
    or (segid "   A" and resid   80 and name  HD2) (segid "   A" and resid   52 and name  HE1)
assign (segid "   A" and resid   59 and name  HG2) (segid "   A" and resid   59 and name  HD1) 2.632 0.866 0.866 weight 1.000 ! spec=Noesy-2013, no=1422, id=1420, vol=1.872283e+06
    or (segid "   A" and resid   59 and name  HG1) (segid "   A" and resid   59 and name  HD1)
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   28 and name  HB1) 3.134 3.134 2.866 weight 1.000 ! spec=Noesy-2013, no=1424, id=1422, vol=6.399740e+05
    or (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   79 and name  HB1)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   28 and name  HB1) 3.419 3.419 2.581 weight 1.000 ! spec=Noesy-2013, no=1427, id=1425, vol=3.756480e+05
    or (segid "   A" and resid   26 and name  HB3) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   79 and name  HB1) 2.271 0.645 0.645 weight 1.000 ! spec=Noesy-2013, no=1430, id=1428, vol=4.245182e+06
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   79 and name  HB1)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   79 and name  HB1)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   79 and name  HB1)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   79 and name  HB1)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   79 and name  HB1)
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   49 and name  HB2) 2.187 2.187 3.813 weight 1.000 ! spec=Noesy-2013, no=1433, id=1431, vol=5.415260e+06
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   49 and name  HB2)
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name  HB1) 1.921 0.461 0.461 weight 1.000 ! spec=Noesy-2013, no=1436, id=1434, vol=1.305338e+07
    or (segid "   A" and resid   75 and name  HB1) (segid "   A" and resid   75 and name  HB2)
assign (segid "   A" and resid   59 and name  HG1) (segid "   A" and resid   59 and name  HB2) 1.884 0.444 0.444 weight 1.000 ! spec=Noesy-2013, no=1443, id=1441, vol=1.359917e+07
    or (segid "   A" and resid   59 and name  HG2) (segid "   A" and resid   59 and name  HB1)
    or (segid "   A" and resid   59 and name  HG2) (segid "   A" and resid   59 and name  HB2)
assign (segid "   A" and resid   75 and name  HG2) (segid "   A" and resid   75 and name  HB2) 2.611 0.852 0.852 weight 1.000 ! spec=Noesy-2013, no=1446, id=1444, vol=1.953366e+06
    or (segid "   A" and resid   75 and name  HG1) (segid "   A" and resid   75 and name  HB2)
assign (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   21 and name  HB1) 3.165 1.252 1.252 weight 1.000 ! spec=Noesy-2013, no=1449, id=1447, vol=6.094680e+05
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   36 and name  HD2) (segid "   A" and resid   15 and name  HB1) 3.410 1.454 1.454 weight 1.000 ! spec=Noesy-2013, no=1450, id=1448, vol=3.692880e+05
    or (segid "   A" and resid   36 and name  HD1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   15 and name  HB1) 3.197 1.278 1.278 weight 1.000 ! spec=Noesy-2013, no=1452, id=1450, vol=5.697240e+05
    or (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   65 and name  HB1) (segid "   A" and resid   65 and name  HG2) 2.571 0.826 0.826 weight 1.000 ! spec=Noesy-2013, no=1456, id=1454, vol=2.051256e+06
    or (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   65 and name  HG2)
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   67 and name  HG2) 2.390 0.714 0.714 weight 1.000 ! spec=Noesy-2013, no=1459, id=1457, vol=3.099214e+06
    or (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name  HG2)
assign (segid "   A" and resid   75 and name  HG1) (segid "   A" and resid   75 and name  HB1) 2.654 0.881 0.881 weight 1.000 ! spec=Noesy-2013, no=1462, id=1459, vol=1.601718e+06
    or (segid "   A" and resid   75 and name  HG2) (segid "   A" and resid   75 and name  HB1)
assign (segid "   A" and resid   52 and name  HD1) (segid "   A" and resid   52 and name  HB1) 2.769 0.958 0.958 weight 1.000 ! spec=Noesy-2013, no=1465, id=1462, vol=1.269282e+06
    or (segid "   A" and resid   52 and name  HG2) (segid "   A" and resid   52 and name  HB1)
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HB1) 2.407 0.724 0.724 weight 1.000 ! spec=Noesy-2013, no=1468, id=1465, vol=3.022059e+06
    or (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HB) 1.930 0.465 0.465 weight 1.000 ! spec=Noesy-2013, no=1481, id=1478, vol=1.098282e+07
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   57 and name   HB)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   16 and name   HB) 1.848 0.427 0.427 weight 1.000 ! spec=Noesy-2013, no=1485, id=1482, vol=1.378339e+07
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   16 and name   HB)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   16 and name   HB)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name   HB)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name   HB)
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name   HB)
assign (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   61 and name   HB) 2.096 0.549 0.549 weight 1.000 ! spec=Noesy-2013, no=1486, id=1483, vol=7.907588e+06
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   61 and name   HB)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   61 and name   HB)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   61 and name   HB)
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   61 and name   HB)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   61 and name   HB)
assign (segid "   A" and resid   82 and name HG12) (segid "   A" and resid   65 and name  HB2) 3.109 3.109 2.891 weight 1.000 ! spec=Noesy-2013, no=1491, id=1488, vol=6.793060e+05
    or (segid "   A" and resid   82 and name HG12) (segid "   A" and resid   65 and name  HB1)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HB1) 2.236 0.625 0.625 weight 1.000 ! spec=Noesy-2013, no=1497, id=1494, vol=5.070116e+06
    or (segid "   A" and resid   74 and name  HG2) (segid "   A" and resid   74 and name  HB1)
    or (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   36 and name  HB1)
    or (segid "   A" and resid   74 and name  HG1) (segid "   A" and resid   74 and name  HB2)
    or (segid "   A" and resid   74 and name  HG1) (segid "   A" and resid   74 and name  HB1)
assign (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   67 and name  HB2) 3.374 1.423 1.423 weight 1.000 ! spec=Noesy-2013, no=1498, id=1495, vol=3.618960e+05
    or (segid "   A" and resid   80 and name  HG1) (segid "   A" and resid   67 and name  HB2)
assign (segid "   A" and resid   80 and name  HG1) (segid "   A" and resid   80 and name  HB1) 2.731 0.932 0.932 weight 1.000 ! spec=Noesy-2013, no=1499, id=1496, vol=1.302724e+06
    or (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name  HB1)
assign (segid "   A" and resid   82 and name HG11) (segid "   A" and resid   82 and name   HB) 2.822 0.995 0.995 weight 1.000 ! spec=Noesy-2013, no=1500, id=1497, vol=1.221632e+06
    or (segid "   A" and resid   52 and name  HG1) (segid "   A" and resid   52 and name  HB2)
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HG2) 1.997 0.499 0.499 weight 1.000 ! spec=Noesy-2013, no=1502, id=1499, vol=7.120394e+06
    or (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name  HB1)
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name  HD1) 2.007 0.504 0.504 weight 1.000 ! spec=Noesy-2013, no=1504, id=1501, vol=9.541516e+06
    or (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name  HD2)
assign (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name  HD1) 2.220 0.616 0.616 weight 1.000 ! spec=Noesy-2013, no=1507, id=1504, vol=4.721202e+06
    or (segid "   A" and resid   80 and name  HG2) (segid "   A" and resid   80 and name  HD2)
    or (segid "   A" and resid   80 and name  HG1) (segid "   A" and resid   80 and name  HD1)
    or (segid "   A" and resid   80 and name  HG1) (segid "   A" and resid   80 and name  HD2)
assign (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HD2) 2.360 0.696 0.696 weight 1.000 ! spec=Noesy-2013, no=1510, id=1507, vol=3.441407e+06
    or (segid "   A" and resid   36 and name  HG2) (segid "   A" and resid   36 and name  HD1)
    or (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   36 and name  HD2)
    or (segid "   A" and resid   36 and name  HG1) (segid "   A" and resid   36 and name  HD1)
assign (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   70 and name  HB2) 2.197 0.603 0.603 weight 1.000 ! spec=Noesy-2013, no=1516, id=1513, vol=5.322294e+06
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   70 and name  HB2)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   70 and name  HB2)
    or (segid "   A" and resid   70 and name HD11) (segid "   A" and resid   70 and name  HB2)
    or (segid "   A" and resid   70 and name HD13) (segid "   A" and resid   70 and name  HB2)
    or (segid "   A" and resid   70 and name HD12) (segid "   A" and resid   70 and name  HB2)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   39 and name  HB1) 2.835 1.005 1.005 weight 1.000 ! spec=Noesy-2013, no=1518, id=1515, vol=1.028409e+06
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   19 and name  HB2)
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   19 and name  HB2)
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   70 and name   HG) 2.364 0.698 0.698 weight 1.000 ! spec=Noesy-2013, no=1523, id=1520, vol=3.198442e+06
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   70 and name   HG)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   70 and name   HG)
    or (segid "   A" and resid   70 and name HD11) (segid "   A" and resid   70 and name   HG)
    or (segid "   A" and resid   70 and name HD13) (segid "   A" and resid   70 and name   HG)
    or (segid "   A" and resid   70 and name HD12) (segid "   A" and resid   70 and name   HG)
assign (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name HG12) 1.748 0.382 0.382 weight 1.000 ! spec=Noesy-2013, no=1536, id=1533, vol=1.860949e+07
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name HG12)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name HG12)
    or (segid "   A" and resid   82 and name HD11) (segid "   A" and resid   82 and name HG12)
    or (segid "   A" and resid   82 and name HD13) (segid "   A" and resid   82 and name HG12)
    or (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   82 and name HG12)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name   HA) 2.252 0.634 0.634 weight 1.000 ! spec=Noesy-2013, no=1547, id=1544, vol=4.304497e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name   HB)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name  HG1) 3.437 1.477 1.477 weight 1.000 ! spec=Noesy-2013, no=1555, id=1552, vol=3.593470e+05
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name  HG2)
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   80 and name  HE1) 3.813 1.818 1.818 weight 1.000 ! spec=Noesy-2013, no=1556, id=1553, vol=1.756180e+05
    or (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   55 and name  HB2)
assign (segid "   A" and resid   62 and name   HE) (segid "   A" and resid   62 and name  HD2) 2.380 0.708 0.708 weight 1.000 ! spec=Noesy-2013, no=1557, id=1554, vol=2.983980e+06
    or (segid "   A" and resid   62 and name   HE) (segid "   A" and resid   62 and name  HD1)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name   HA) 2.518 2.518 3.482 weight 1.000 ! spec=Noesy-2013, no=1558, id=1555, vol=2.339825e+06
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   19 and name  HE2) (segid "   A" and resid   19 and name   HA) 3.617 1.635 1.635 weight 1.000 ! spec=Noesy-2013, no=1564, id=1561, vol=2.451350e+05
    or (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   29 and name  HA2)
    or (segid "   A" and resid   19 and name  HE1) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   80 and name   HA) 3.555 1.580 1.580 weight 1.000 ! spec=Noesy-2013, no=1565, id=1562, vol=2.652270e+05
    or (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    5 and name   HA) 3.929 1.930 1.930 weight 1.000 ! spec=Noesy-2013, no=1568, id=1565, vol=1.550330e+05
    or (segid "   A" and resid   59 and name  HD1) (segid "   A" and resid   75 and name   HA)
assign (segid "   A" and resid   66 and name  HG2) (segid "   A" and resid   79 and name  HB2) 3.751 1.759 1.759 weight 1.000 ! spec=Noesy-2013, no=1575, id=1572, vol=2.187010e+05
    or (segid "   A" and resid   59 and name  HB1) (segid "   A" and resid   76 and name  HB1)
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   76 and name  HB1)
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HE1) 3.499 1.530 1.530 weight 1.000 ! spec=Noesy-2013, no=1577, id=1574, vol=3.274090e+05
    or (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HE2)
assign (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   21 and name  HB1) 3.463 1.499 1.499 weight 1.000 ! spec=Noesy-2013, no=1588, id=1585, vol=3.344190e+05
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   21 and name  HB1) 3.692 1.704 1.704 weight 1.000 ! spec=Noesy-2013, no=1589, id=1586, vol=2.048780e+05
    or (segid "   A" and resid   20 and name HG13) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   20 and name HG11) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   20 and name HG13) (segid "   A" and resid   21 and name  HB2)
    or (segid "   A" and resid   20 and name HG11) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   15 and name  HB1) 3.512 1.541 1.541 weight 1.000 ! spec=Noesy-2013, no=1590, id=1587, vol=2.319030e+05
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   39 and name  HB2)
# Restraints file 5: unambig.tbl
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   67 and name  HG2) 3.051 1.163 1.163 weight 1.000 ! spec=Noesy-2013, no=1, id=0, vol=7.395530e+05
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   67 and name  HG1) 3.521 1.549 1.549 weight 1.000 ! spec=Noesy-2013, no=2, id=1, vol=2.934600e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   79 and name   HN) 3.590 1.611 1.611 weight 1.000 ! spec=Noesy-2013, no=4, id=3, vol=2.710780e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name   HN) 3.444 1.482 1.482 weight 1.000 ! spec=Noesy-2013, no=5, id=4, vol=3.631630e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   77 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=Noesy-2013, no=6, id=5, vol=1.258671e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name   HN) 3.552 1.578 1.578 weight 1.000 ! spec=Noesy-2013, no=7, id=6, vol=2.498660e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   37 and name   HN) 2.835 1.005 1.005 weight 1.000 ! spec=Noesy-2013, no=8, id=7, vol=1.121441e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 3.581 1.603 1.603 weight 1.000 ! spec=Noesy-2013, no=10, id=9, vol=2.601480e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name   HN) 2.632 0.866 0.866 weight 1.000 ! spec=Noesy-2013, no=11, id=10, vol=1.775551e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name   HN) 3.460 1.497 1.497 weight 1.000 ! spec=Noesy-2013, no=12, id=11, vol=3.421890e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HN) 3.521 1.549 1.549 weight 1.000 ! spec=Noesy-2013, no=13, id=12, vol=3.037010e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   55 and name   HN) 2.725 0.928 0.928 weight 1.000 ! spec=Noesy-2013, no=14, id=13, vol=1.449883e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name   HN) 3.499 1.530 1.530 weight 1.000 ! spec=Noesy-2013, no=15, id=14, vol=2.984370e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HN) 3.179 1.264 1.264 weight 1.000 ! spec=Noesy-2013, no=16, id=15, vol=5.356190e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.882 1.038 1.038 weight 1.000 ! spec=Noesy-2013, no=17, id=16, vol=1.018832e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   36 and name   HN) 3.735 1.744 1.744 weight 1.000 ! spec=Noesy-2013, no=18, id=17, vol=2.168650e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HN) 3.301 1.362 1.362 weight 1.000 ! spec=Noesy-2013, no=20, id=19, vol=4.378170e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   42 and name   HN) 3.337 1.392 1.392 weight 1.000 ! spec=Noesy-2013, no=21, id=20, vol=4.386460e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name   HN) 3.443 1.482 1.482 weight 1.000 ! spec=Noesy-2013, no=23, id=22, vol=3.407880e+05
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name   HN) 3.396 1.441 1.441 weight 1.000 ! spec=Noesy-2013, no=24, id=23, vol=3.809830e+05
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   67 and name   HN) 3.351 1.404 1.404 weight 1.000 ! spec=Noesy-2013, no=25, id=24, vol=4.162810e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   67 and name   HN) 3.835 1.838 1.838 weight 1.000 ! spec=Noesy-2013, no=26, id=25, vol=1.657650e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name   HN) 3.606 1.625 1.625 weight 1.000 ! spec=Noesy-2013, no=27, id=26, vol=2.508660e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HN) 3.536 1.563 1.563 weight 1.000 ! spec=Noesy-2013, no=28, id=27, vol=2.396260e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   27 and name   HN) 3.358 1.409 1.409 weight 1.000 ! spec=Noesy-2013, no=29, id=28, vol=3.851380e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name   HN) 2.367 2.367 3.633 weight 1.000 ! spec=Noesy-2013, no=31, id=30, vol=3.277192e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HN) 2.556 0.816 0.816 weight 1.000 ! spec=Noesy-2013, no=32, id=31, vol=2.074639e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   81 and name   HN) 2.562 2.562 3.438 weight 1.000 ! spec=Noesy-2013, no=33, id=32, vol=2.117254e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   51 and name   HN) 2.669 0.890 0.890 weight 1.000 ! spec=Noesy-2013, no=34, id=33, vol=1.615718e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 2.442 0.745 0.745 weight 1.000 ! spec=Noesy-2013, no=35, id=34, vol=2.630981e+06
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   76 and name   HN) 3.122 1.218 1.218 weight 1.000 ! spec=Noesy-2013, no=36, id=35, vol=6.870200e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name   HN) 3.548 1.573 1.573 weight 1.000 ! spec=Noesy-2013, no=37, id=36, vol=3.031190e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   65 and name   HN) 3.655 1.670 1.670 weight 1.000 ! spec=Noesy-2013, no=38, id=37, vol=2.569600e+05
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   65 and name   HN) 2.689 2.689 3.311 weight 1.000 ! spec=Noesy-2013, no=39, id=38, vol=1.627851e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   31 and name   HN) 3.763 1.770 1.770 weight 1.000 ! spec=Noesy-2013, no=40, id=39, vol=1.937700e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name   HN) 3.630 1.647 1.647 weight 1.000 ! spec=Noesy-2013, no=41, id=40, vol=2.387270e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name   HN) 3.091 1.194 1.194 weight 1.000 ! spec=Noesy-2013, no=42, id=41, vol=7.120730e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HN) 3.554 1.579 1.579 weight 1.000 ! spec=Noesy-2013, no=43, id=42, vol=2.952290e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   38 and name   HN) 3.345 1.398 1.398 weight 1.000 ! spec=Noesy-2013, no=44, id=43, vol=4.159300e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   74 and name   HN) 4.087 2.088 2.088 weight 1.000 ! spec=Noesy-2013, no=45, id=44, vol=1.120070e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   76 and name   HN) 3.443 1.482 1.482 weight 1.000 ! spec=Noesy-2013, no=46, id=45, vol=3.265400e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   76 and name  HZ2) 2.339 0.684 0.684 weight 1.000 ! spec=Noesy-2013, no=47, id=46, vol=3.273324e+06
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HZ2) 2.279 0.649 0.649 weight 1.000 ! spec=Noesy-2013, no=48, id=47, vol=3.617157e+06
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   76 and name  HD1) 2.106 0.554 0.554 weight 1.000 ! spec=Noesy-2013, no=49, id=48, vol=6.205109e+06
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HD1) 1.970 1.970 4.030 weight 1.000 ! spec=Noesy-2013, no=51, id=50, vol=8.598982e+06
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   76 and name  HE3) 3.200 1.280 1.280 weight 1.000 ! spec=Noesy-2013, no=52, id=51, vol=5.564620e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   58 and name   HN) 3.571 1.594 1.594 weight 1.000 ! spec=Noesy-2013, no=53, id=52, vol=2.862340e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HD2) 2.318 0.672 0.672 weight 1.000 ! spec=Noesy-2013, no=54, id=53, vol=3.644555e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HE1) 3.303 3.303 2.697 weight 1.000 ! spec=Noesy-2013, no=55, id=54, vol=4.474680e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   18 and name   HN) 3.885 1.886 1.886 weight 1.000 ! spec=Noesy-2013, no=56, id=55, vol=1.519420e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   18 and name   HN) 3.616 1.634 1.634 weight 1.000 ! spec=Noesy-2013, no=57, id=56, vol=2.554490e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name  HD1) 3.640 1.656 1.656 weight 1.000 ! spec=Noesy-2013, no=58, id=57, vol=2.459170e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name  HD1) 3.881 1.883 1.883 weight 1.000 ! spec=Noesy-2013, no=59, id=58, vol=1.627960e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HD1) 3.383 1.431 1.431 weight 1.000 ! spec=Noesy-2013, no=60, id=59, vol=3.883250e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HD2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HD2) 3.271 1.337 1.337 weight 1.000 ! spec=Noesy-2013, no=61, id=60, vol=4.828320e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HD2) 3.031 1.149 1.149 weight 1.000 ! spec=Noesy-2013, no=62, id=61, vol=7.974720e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name  HD2) 3.935 1.935 1.935 weight 1.000 ! spec=Noesy-2013, no=63, id=62, vol=1.365980e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   25 and name  HD2) 2.940 1.080 1.080 weight 1.000 ! spec=Noesy-2013, no=64, id=63, vol=8.838370e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HE3) 3.483 1.517 1.517 weight 1.000 ! spec=Noesy-2013, no=65, id=64, vol=3.334460e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HN) 3.126 1.222 1.222 weight 1.000 ! spec=Noesy-2013, no=66, id=65, vol=5.584060e+05
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   76 and name   HN) 3.965 1.965 1.965 weight 1.000 ! spec=Noesy-2013, no=67, id=66, vol=1.258680e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name   HN) 2.437 0.742 0.742 weight 1.000 ! spec=Noesy-2013, no=68, id=67, vol=2.738299e+06
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name   HN) 3.085 3.085 2.915 weight 1.000 ! spec=Noesy-2013, no=69, id=68, vol=6.787590e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    7 and name   HN) 3.718 1.728 1.728 weight 1.000 ! spec=Noesy-2013, no=70, id=69, vol=2.149890e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name   HN) 3.799 1.804 1.804 weight 1.000 ! spec=Noesy-2013, no=71, id=70, vol=1.984360e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HN) 2.955 1.091 1.091 weight 1.000 ! spec=Noesy-2013, no=72, id=71, vol=8.431280e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 2.545 0.810 0.810 weight 1.000 ! spec=Noesy-2013, no=73, id=72, vol=2.039761e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   25 and name  HE1) 3.145 1.237 1.237 weight 1.000 ! spec=Noesy-2013, no=74, id=73, vol=5.733990e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HD1) 3.617 1.636 1.636 weight 1.000 ! spec=Noesy-2013, no=75, id=74, vol=2.639520e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   52 and name   HN) 3.479 1.513 1.513 weight 1.000 ! spec=Noesy-2013, no=76, id=75, vol=3.369090e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   11 and name   HN) 3.397 1.443 1.443 weight 1.000 ! spec=Noesy-2013, no=77, id=76, vol=3.589910e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   25 and name  HE1) 4.159 2.163 2.163 weight 1.000 ! spec=Noesy-2013, no=78, id=77, vol=1.109890e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 2.263 0.640 0.640 weight 1.000 ! spec=Noesy-2013, no=80, id=79, vol=4.229869e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HN) 2.433 0.740 0.740 weight 1.000 ! spec=Noesy-2013, no=82, id=81, vol=2.652825e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HN) 2.469 0.762 0.762 weight 1.000 ! spec=Noesy-2013, no=83, id=82, vol=2.629223e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   38 and name   HN) 3.917 1.918 1.918 weight 1.000 ! spec=Noesy-2013, no=84, id=83, vol=1.459360e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name   HN) 3.183 3.183 2.817 weight 1.000 ! spec=Noesy-2013, no=85, id=84, vol=5.391350e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HN) 3.489 1.521 1.521 weight 1.000 ! spec=Noesy-2013, no=86, id=85, vol=2.868940e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HN) 2.628 0.863 0.863 weight 1.000 ! spec=Noesy-2013, no=87, id=86, vol=1.799325e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name   HN) 3.113 1.211 1.211 weight 1.000 ! spec=Noesy-2013, no=88, id=87, vol=6.406030e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HN) 2.532 0.801 0.801 weight 1.000 ! spec=Noesy-2013, no=89, id=88, vol=2.308739e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HN) 2.477 0.767 0.767 weight 1.000 ! spec=Noesy-2013, no=90, id=89, vol=2.480354e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   52 and name   HN) 2.703 0.913 0.913 weight 1.000 ! spec=Noesy-2013, no=91, id=90, vol=1.506837e+06
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name   HN) 2.216 0.614 0.614 weight 1.000 ! spec=Noesy-2013, no=92, id=91, vol=5.108743e+06
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name  HD2) 2.937 1.078 1.078 weight 1.000 ! spec=Noesy-2013, no=93, id=92, vol=8.968950e+05
assign (segid "   A" and resid   55 and name  HE1) (segid "   A" and resid   55 and name  HD2) 3.678 1.691 1.691 weight 1.000 ! spec=Noesy-2013, no=94, id=93, vol=2.812830e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   25 and name  HD2) 3.920 1.920 1.920 weight 1.000 ! spec=Noesy-2013, no=95, id=94, vol=1.261550e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   76 and name  HD1) 3.718 1.728 1.728 weight 1.000 ! spec=Noesy-2013, no=96, id=95, vol=1.893000e+05
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name   HN) 3.406 1.450 1.450 weight 1.000 ! spec=Noesy-2013, no=97, id=96, vol=3.295460e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HD2) 3.246 1.317 1.317 weight 1.000 ! spec=Noesy-2013, no=98, id=97, vol=4.762270e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid   11 and name  HD2) 3.646 1.661 1.661 weight 1.000 ! spec=Noesy-2013, no=99, id=98, vol=2.306540e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   25 and name  HD2) 3.735 1.744 1.744 weight 1.000 ! spec=Noesy-2013, no=100, id=99, vol=2.122500e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HD1) 3.252 1.322 1.322 weight 1.000 ! spec=Noesy-2013, no=101, id=100, vol=4.912310e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HD2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HD2) 4.104 2.105 2.105 weight 1.000 ! spec=Noesy-2013, no=103, id=102, vol=1.055330e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   55 and name  HD2) 3.933 1.933 1.933 weight 1.000 ! spec=Noesy-2013, no=106, id=105, vol=1.358410e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HD1) 2.775 0.962 0.962 weight 1.000 ! spec=Noesy-2013, no=107, id=106, vol=1.259674e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HD2)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name  HE3) 3.573 3.573 2.427 weight 1.000 ! spec=Noesy-2013, no=108, id=107, vol=2.820520e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HD1) 2.593 0.840 0.840 weight 1.000 ! spec=Noesy-2013, no=109, id=108, vol=1.939167e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HD1) 2.840 1.008 1.008 weight 1.000 ! spec=Noesy-2013, no=110, id=109, vol=1.183792e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name   HN) 2.334 0.681 0.681 weight 1.000 ! spec=Noesy-2013, no=111, id=110, vol=2.414173e+06
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   25 and name   HZ) 1.672 1.672 4.328 weight 1.000 ! spec=Noesy-2013, no=112, id=111, vol=2.383598e+07
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   25 and name   HZ)
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   33 and name  HZ3) 1.903 1.903 4.097 weight 1.000 ! spec=Noesy-2013, no=113, id=112, vol=1.088955e+07
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   76 and name  HH2) 1.853 1.853 4.147 weight 1.000 ! spec=Noesy-2013, no=114, id=113, vol=1.283212e+07
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HD2) 3.056 1.168 1.168 weight 1.000 ! spec=Noesy-2013, no=115, id=114, vol=6.548670e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HD1)
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   76 and name  HZ3) 2.641 2.641 3.359 weight 1.000 ! spec=Noesy-2013, no=116, id=115, vol=1.343599e+06
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   25 and name  HD2) 1.782 0.397 0.397 weight 1.000 ! spec=Noesy-2013, no=117, id=116, vol=1.756897e+07
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   25 and name  HD2) 2.430 2.430 3.570 weight 1.000 ! spec=Noesy-2013, no=118, id=117, vol=2.530188e+06
    or (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   25 and name  HD1)
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid   33 and name  HZ3) 1.912 0.457 0.457 weight 1.000 ! spec=Noesy-2013, no=119, id=118, vol=1.068833e+07
assign (segid "   A" and resid   76 and name  HH2) (segid "   A" and resid   76 and name  HZ3) 1.942 0.471 0.471 weight 1.000 ! spec=Noesy-2013, no=120, id=119, vol=1.001597e+07
assign (segid "   A" and resid   35 and name HE21) (segid "   A" and resid   35 and name HE22) 1.566 0.307 0.307 weight 1.000 ! spec=Noesy-2013, no=121, id=120, vol=3.554870e+07
assign (segid "   A" and resid   50 and name HE21) (segid "   A" and resid   50 and name HE22) 1.567 0.307 0.307 weight 1.000 ! spec=Noesy-2013, no=122, id=121, vol=3.517314e+07
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   14 and name  HD1) 2.654 0.880 0.880 weight 1.000 ! spec=Noesy-2013, no=123, id=122, vol=1.743966e+06
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   14 and name  HD2)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   14 and name  HD1)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   14 and name  HD1) 2.994 2.994 3.006 weight 1.000 ! spec=Noesy-2013, no=124, id=123, vol=8.129590e+05
    or (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid    7 and name   HE) (segid "   A" and resid   11 and name  HE2) 3.759 1.766 1.766 weight 1.000 ! spec=Noesy-2013, no=125, id=124, vol=1.988030e+05
    or (segid "   A" and resid    7 and name   HE) (segid "   A" and resid   11 and name  HE1)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   67 and name HE21) 3.969 1.969 1.969 weight 1.000 ! spec=Noesy-2013, no=126, id=125, vol=1.394020e+05
assign (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   46 and name  HD1) 1.602 1.602 4.398 weight 1.000 ! spec=Noesy-2013, no=127, id=126, vol=2.701693e+07
    or (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   46 and name  HD2)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   46 and name  HD1)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   46 and name  HD2)
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   76 and name  HE3) 2.150 0.578 0.578 weight 1.000 ! spec=Noesy-2013, no=128, id=127, vol=4.079115e+06
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   67 and name HE21) 1.958 0.479 0.479 weight 1.000 ! spec=Noesy-2013, no=129, id=128, vol=1.035722e+07
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   67 and name HE21) 2.553 2.553 3.447 weight 1.000 ! spec=Noesy-2013, no=130, id=129, vol=2.673554e+06
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   28 and name  HE2) 1.581 1.581 4.419 weight 1.000 ! spec=Noesy-2013, no=131, id=130, vol=3.145912e+07
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   28 and name  HE1)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name  HE2)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name  HE1)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   67 and name HE21) 3.408 1.452 1.452 weight 1.000 ! spec=Noesy-2013, no=132, id=131, vol=3.646580e+05
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HE1) 1.874 0.439 0.439 weight 1.000 ! spec=Noesy-2013, no=133, id=132, vol=1.382559e+07
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HE2)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HE1)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HE2)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   14 and name  HE1) 2.877 1.035 1.035 weight 1.000 ! spec=Noesy-2013, no=134, id=133, vol=9.873510e+05
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   14 and name  HE2)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   14 and name  HE1)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   14 and name  HE2)
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   14 and name  HE1) 3.020 1.140 1.140 weight 1.000 ! spec=Noesy-2013, no=135, id=134, vol=7.352150e+05
    or (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   14 and name  HE2)
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   14 and name  HE1) 2.837 1.006 1.006 weight 1.000 ! spec=Noesy-2013, no=136, id=135, vol=1.102806e+06
    or (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   14 and name  HE2)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   14 and name  HE1)
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   14 and name  HE2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HE1) 3.628 1.645 1.645 weight 1.000 ! spec=Noesy-2013, no=137, id=136, vol=2.408920e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HE2)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name  HE1) 3.992 1.992 1.992 weight 1.000 ! spec=Noesy-2013, no=138, id=137, vol=1.253350e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   14 and name  HE2)
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name   HA) 2.105 0.554 0.554 weight 1.000 ! spec=Noesy-2013, no=139, id=138, vol=7.040885e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=Noesy-2013, no=140, id=139, vol=1.321780e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   39 and name   HA) 2.797 0.978 0.978 weight 1.000 ! spec=Noesy-2013, no=141, id=140, vol=1.251886e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   15 and name   HA) 2.971 1.103 1.103 weight 1.000 ! spec=Noesy-2013, no=142, id=141, vol=8.909030e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 2.102 0.552 0.552 weight 1.000 ! spec=Noesy-2013, no=143, id=142, vol=7.013767e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   56 and name   HA) 2.989 1.117 1.117 weight 1.000 ! spec=Noesy-2013, no=144, id=143, vol=8.308690e+05
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name   HA) 2.686 0.902 0.902 weight 1.000 ! spec=Noesy-2013, no=145, id=144, vol=1.577401e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HA) 2.076 0.539 0.539 weight 1.000 ! spec=Noesy-2013, no=146, id=145, vol=7.450826e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   39 and name   HA) 3.004 1.128 1.128 weight 1.000 ! spec=Noesy-2013, no=147, id=146, vol=8.410750e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   15 and name   HA) 3.526 1.554 1.554 weight 1.000 ! spec=Noesy-2013, no=148, id=147, vol=3.094170e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   56 and name   HA) 3.410 1.454 1.454 weight 1.000 ! spec=Noesy-2013, no=149, id=148, vol=3.799440e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.781 0.966 0.966 weight 1.000 ! spec=Noesy-2013, no=150, id=149, vol=1.331535e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HA) 3.555 3.555 2.445 weight 1.000 ! spec=Noesy-2013, no=151, id=150, vol=3.782230e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   39 and name   HA) 3.701 1.712 1.712 weight 1.000 ! spec=Noesy-2013, no=152, id=151, vol=2.260570e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name   HA) 2.789 0.972 0.972 weight 1.000 ! spec=Noesy-2013, no=153, id=152, vol=1.274109e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   30 and name   HA) 3.994 1.994 1.994 weight 1.000 ! spec=Noesy-2013, no=154, id=153, vol=1.585460e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name   HA) 2.956 1.092 1.092 weight 1.000 ! spec=Noesy-2013, no=156, id=155, vol=9.245390e+05
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   79 and name   HA) 2.094 0.548 0.548 weight 1.000 ! spec=Noesy-2013, no=157, id=156, vol=6.865053e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   79 and name   HA) 3.809 1.814 1.814 weight 1.000 ! spec=Noesy-2013, no=158, id=157, vol=2.224190e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=Noesy-2013, no=159, id=158, vol=1.438719e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HA) 2.137 0.571 0.571 weight 1.000 ! spec=Noesy-2013, no=160, id=159, vol=6.214076e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=Noesy-2013, no=161, id=160, vol=2.492841e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HA) 3.081 1.186 1.186 weight 1.000 ! spec=Noesy-2013, no=162, id=161, vol=7.823970e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 2.676 0.895 0.895 weight 1.000 ! spec=Noesy-2013, no=163, id=162, vol=1.563336e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HA) 2.491 0.776 0.776 weight 1.000 ! spec=Noesy-2013, no=164, id=163, vol=2.386397e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.532 0.801 0.801 weight 1.000 ! spec=Noesy-2013, no=165, id=164, vol=2.285111e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 2.703 0.914 0.914 weight 1.000 ! spec=Noesy-2013, no=166, id=165, vol=1.541348e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name   HA) 2.080 0.541 0.541 weight 1.000 ! spec=Noesy-2013, no=167, id=166, vol=7.139477e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 2.166 0.586 0.586 weight 1.000 ! spec=Noesy-2013, no=168, id=167, vol=5.827995e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 2.772 0.961 0.961 weight 1.000 ! spec=Noesy-2013, no=169, id=168, vol=1.148444e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 3.638 1.654 1.654 weight 1.000 ! spec=Noesy-2013, no=170, id=169, vol=3.068060e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name   HA) 2.108 0.556 0.556 weight 1.000 ! spec=Noesy-2013, no=171, id=170, vol=6.586694e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name   HA) 2.321 0.673 0.673 weight 1.000 ! spec=Noesy-2013, no=172, id=171, vol=3.831173e+06
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=Noesy-2013, no=174, id=173, vol=1.847184e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   13 and name  HA2) 3.709 1.719 1.719 weight 1.000 ! spec=Noesy-2013, no=175, id=174, vol=1.866230e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 2.093 2.093 3.907 weight 1.000 ! spec=Noesy-2013, no=176, id=175, vol=6.735235e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   36 and name   HA) 3.386 1.433 1.433 weight 1.000 ! spec=Noesy-2013, no=177, id=176, vol=3.436020e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 2.074 0.537 0.537 weight 1.000 ! spec=Noesy-2013, no=178, id=177, vol=7.407921e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.545 0.809 0.809 weight 1.000 ! spec=Noesy-2013, no=180, id=179, vol=2.102875e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name   HB) 2.524 0.797 0.797 weight 1.000 ! spec=Noesy-2013, no=181, id=180, vol=2.381222e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   65 and name   HA) 2.135 0.570 0.570 weight 1.000 ! spec=Noesy-2013, no=182, id=181, vol=6.361676e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name   HA) 2.295 0.658 0.658 weight 1.000 ! spec=Noesy-2013, no=183, id=182, vol=4.215849e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name   HA) 2.148 0.577 0.577 weight 1.000 ! spec=Noesy-2013, no=184, id=183, vol=6.019508e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   30 and name   HB) 3.289 1.352 1.352 weight 1.000 ! spec=Noesy-2013, no=185, id=184, vol=4.970880e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name   HA) 2.142 0.574 0.574 weight 1.000 ! spec=Noesy-2013, no=186, id=185, vol=5.911879e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HA) 3.767 1.774 1.774 weight 1.000 ! spec=Noesy-2013, no=187, id=186, vol=2.111730e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   54 and name  HA1) 3.735 1.744 1.744 weight 1.000 ! spec=Noesy-2013, no=188, id=187, vol=2.125680e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   17 and name   HA) 3.480 1.514 1.514 weight 1.000 ! spec=Noesy-2013, no=189, id=188, vol=2.896970e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   41 and name   HA) 3.718 1.728 1.728 weight 1.000 ! spec=Noesy-2013, no=190, id=189, vol=2.133000e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HA) 3.030 1.148 1.148 weight 1.000 ! spec=Noesy-2013, no=193, id=192, vol=8.178380e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   41 and name   HA) 2.903 2.903 3.097 weight 1.000 ! spec=Noesy-2013, no=194, id=193, vol=1.025946e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name   HA) 2.558 0.818 0.818 weight 1.000 ! spec=Noesy-2013, no=195, id=194, vol=2.020326e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 2.753 0.947 0.947 weight 1.000 ! spec=Noesy-2013, no=196, id=195, vol=1.354665e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=Noesy-2013, no=197, id=196, vol=1.375103e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name   HA) 2.765 0.955 0.955 weight 1.000 ! spec=Noesy-2013, no=198, id=197, vol=1.331838e+06
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name   HA) 2.031 0.515 0.515 weight 1.000 ! spec=Noesy-2013, no=199, id=198, vol=8.380346e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.528 0.799 0.799 weight 1.000 ! spec=Noesy-2013, no=200, id=199, vol=2.187304e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name   HA) 2.597 0.843 0.843 weight 1.000 ! spec=Noesy-2013, no=201, id=200, vol=2.024581e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.291 0.656 0.656 weight 1.000 ! spec=Noesy-2013, no=203, id=202, vol=3.727469e+06
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name  HA1) 2.421 0.733 0.733 weight 1.000 ! spec=Noesy-2013, no=204, id=203, vol=3.120269e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name   HA) 2.165 0.586 0.586 weight 1.000 ! spec=Noesy-2013, no=205, id=204, vol=5.902491e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   39 and name   HA) 3.504 1.535 1.535 weight 1.000 ! spec=Noesy-2013, no=206, id=205, vol=3.083710e+05
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   79 and name   HA) 3.828 1.831 1.831 weight 1.000 ! spec=Noesy-2013, no=207, id=206, vol=1.895900e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.784 0.969 0.969 weight 1.000 ! spec=Noesy-2013, no=209, id=208, vol=1.283266e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   79 and name   HA) 3.684 1.696 1.696 weight 1.000 ! spec=Noesy-2013, no=210, id=209, vol=2.495160e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.379 0.707 0.707 weight 1.000 ! spec=Noesy-2013, no=211, id=210, vol=3.285721e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   30 and name   HA) 2.397 0.718 0.718 weight 1.000 ! spec=Noesy-2013, no=212, id=211, vol=3.139128e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HA2) 2.686 0.902 0.902 weight 1.000 ! spec=Noesy-2013, no=213, id=212, vol=1.633588e+06
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name   HA) 2.635 0.868 0.868 weight 1.000 ! spec=Noesy-2013, no=214, id=213, vol=1.848276e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name   HA) 3.216 1.293 1.293 weight 1.000 ! spec=Noesy-2013, no=215, id=214, vol=5.724740e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   25 and name   HA) 2.755 0.949 0.949 weight 1.000 ! spec=Noesy-2013, no=216, id=215, vol=1.383898e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   24 and name   HA) 3.394 1.440 1.440 weight 1.000 ! spec=Noesy-2013, no=217, id=216, vol=4.272510e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HA) 1.997 0.499 0.499 weight 1.000 ! spec=Noesy-2013, no=218, id=217, vol=9.046023e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   28 and name   HA) 3.398 3.398 2.602 weight 1.000 ! spec=Noesy-2013, no=219, id=218, vol=3.913370e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HA) 3.188 3.188 2.812 weight 1.000 ! spec=Noesy-2013, no=220, id=219, vol=5.863580e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name   HA) 4.109 2.110 2.110 weight 1.000 ! spec=Noesy-2013, no=221, id=220, vol=1.429520e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 2.949 1.087 1.087 weight 1.000 ! spec=Noesy-2013, no=222, id=221, vol=9.216140e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name   HA) 2.732 0.933 0.933 weight 1.000 ! spec=Noesy-2013, no=223, id=222, vol=1.411168e+06
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   63 and name   HA) 3.399 1.444 1.444 weight 1.000 ! spec=Noesy-2013, no=224, id=223, vol=3.754270e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name   HA) 2.054 0.527 0.527 weight 1.000 ! spec=Noesy-2013, no=225, id=224, vol=8.062311e+06
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name   HA) 2.838 1.007 1.007 weight 1.000 ! spec=Noesy-2013, no=227, id=226, vol=1.199833e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HB) 2.344 0.687 0.687 weight 1.000 ! spec=Noesy-2013, no=228, id=227, vol=3.681843e+06
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name  HA1) 2.583 0.834 0.834 weight 1.000 ! spec=Noesy-2013, no=229, id=228, vol=2.132299e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name   HA) 2.964 1.098 1.098 weight 1.000 ! spec=Noesy-2013, no=231, id=230, vol=9.334520e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HB) 3.397 1.443 1.443 weight 1.000 ! spec=Noesy-2013, no=232, id=231, vol=3.813370e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HA) 2.478 2.478 3.522 weight 1.000 ! spec=Noesy-2013, no=233, id=232, vol=2.607167e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=Noesy-2013, no=234, id=233, vol=1.840694e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name   HA) 2.633 0.866 0.866 weight 1.000 ! spec=Noesy-2013, no=235, id=234, vol=1.912514e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 1.788 1.788 4.212 weight 1.000 ! spec=Noesy-2013, no=237, id=235, vol=1.623232e+07
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name   HA) 3.138 1.230 1.230 weight 1.000 ! spec=Noesy-2013, no=238, id=236, vol=5.676680e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.834 1.004 1.004 weight 1.000 ! spec=Noesy-2013, no=239, id=237, vol=1.179194e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name   HA) 3.350 1.402 1.402 weight 1.000 ! spec=Noesy-2013, no=240, id=238, vol=4.437810e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   80 and name   HA) 3.249 1.319 1.319 weight 1.000 ! spec=Noesy-2013, no=241, id=239, vol=4.834010e+05
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name   HA) 1.929 0.465 0.465 weight 1.000 ! spec=Noesy-2013, no=242, id=240, vol=1.079857e+07
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 2.085 0.543 0.543 weight 1.000 ! spec=Noesy-2013, no=243, id=241, vol=7.250346e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.486 0.772 0.772 weight 1.000 ! spec=Noesy-2013, no=244, id=242, vol=2.577019e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.106 2.106 3.894 weight 1.000 ! spec=Noesy-2013, no=245, id=243, vol=6.753961e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA) 2.342 0.686 0.686 weight 1.000 ! spec=Noesy-2013, no=246, id=244, vol=3.454663e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HA) 2.360 2.360 3.640 weight 1.000 ! spec=Noesy-2013, no=247, id=245, vol=3.628204e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HA2) 2.390 0.714 0.714 weight 1.000 ! spec=Noesy-2013, no=248, id=246, vol=3.166201e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name   HA) 2.044 0.522 0.522 weight 1.000 ! spec=Noesy-2013, no=249, id=247, vol=8.188949e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.511 0.788 0.788 weight 1.000 ! spec=Noesy-2013, no=251, id=249, vol=2.508148e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   41 and name   HA) 2.508 2.508 3.492 weight 1.000 ! spec=Noesy-2013, no=252, id=250, vol=2.369906e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   48 and name   HA) 3.436 1.476 1.476 weight 1.000 ! spec=Noesy-2013, no=253, id=251, vol=3.437410e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HA2) 2.190 0.600 0.600 weight 1.000 ! spec=Noesy-2013, no=254, id=252, vol=5.565135e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name   HA) 2.706 0.915 0.915 weight 1.000 ! spec=Noesy-2013, no=255, id=253, vol=1.542803e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HA) 2.275 2.275 3.725 weight 1.000 ! spec=Noesy-2013, no=256, id=254, vol=4.244115e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name   HA) 2.188 0.598 0.598 weight 1.000 ! spec=Noesy-2013, no=257, id=255, vol=5.399153e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA) 2.144 0.574 0.574 weight 1.000 ! spec=Noesy-2013, no=259, id=257, vol=6.187084e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name   HA) 2.910 1.059 1.059 weight 1.000 ! spec=Noesy-2013, no=261, id=259, vol=1.004676e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   59 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=Noesy-2013, no=262, id=260, vol=8.345380e+05
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   40 and name   HA) 3.096 1.198 1.198 weight 1.000 ! spec=Noesy-2013, no=264, id=262, vol=6.591130e+05
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.544 0.809 0.809 weight 1.000 ! spec=Noesy-2013, no=265, id=263, vol=2.182921e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HA) 3.145 3.145 2.855 weight 1.000 ! spec=Noesy-2013, no=266, id=264, vol=6.481130e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name   HA) 3.063 1.173 1.173 weight 1.000 ! spec=Noesy-2013, no=267, id=265, vol=7.321790e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name   HA) 2.561 0.820 0.820 weight 1.000 ! spec=Noesy-2013, no=268, id=266, vol=2.232765e+06
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   76 and name   HA) 2.576 0.830 0.830 weight 1.000 ! spec=Noesy-2013, no=269, id=267, vol=1.849884e+06
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name   HA) 2.118 0.561 0.561 weight 1.000 ! spec=Noesy-2013, no=270, id=268, vol=6.365177e+06
assign (segid "   A" and resid   76 and name  HH2) (segid "   A" and resid   57 and name   HA) 3.280 1.345 1.345 weight 1.000 ! spec=Noesy-2013, no=271, id=269, vol=4.331250e+05
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name   HA) 2.208 0.610 0.610 weight 1.000 ! spec=Noesy-2013, no=272, id=270, vol=5.190638e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   11 and name   HA) 3.280 1.345 1.345 weight 1.000 ! spec=Noesy-2013, no=273, id=271, vol=4.168590e+05
assign (segid "   A" and resid   12 and name  HD2) (segid "   A" and resid   12 and name   HA) 2.936 1.078 1.078 weight 1.000 ! spec=Noesy-2013, no=274, id=272, vol=8.732190e+05
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    8 and name   HA) 2.686 0.902 0.902 weight 1.000 ! spec=Noesy-2013, no=275, id=273, vol=1.593631e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid    7 and name   HE) (segid "   A" and resid    4 and name   HA) 3.710 1.721 1.721 weight 1.000 ! spec=Noesy-2013, no=276, id=274, vol=2.322680e+05
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   41 and name   HA) 3.533 1.560 1.560 weight 1.000 ! spec=Noesy-2013, no=277, id=275, vol=3.163090e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HB) 2.808 0.986 0.986 weight 1.000 ! spec=Noesy-2013, no=279, id=277, vol=1.219844e+06
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name   HA) 2.337 0.683 0.683 weight 1.000 ! spec=Noesy-2013, no=280, id=278, vol=3.594789e+06
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    2 and name   HA) 2.685 0.901 0.901 weight 1.000 ! spec=Noesy-2013, no=281, id=279, vol=1.500951e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name   HA) 2.422 0.734 0.734 weight 1.000 ! spec=Noesy-2013, no=282, id=280, vol=3.028080e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.387 2.387 3.613 weight 1.000 ! spec=Noesy-2013, no=283, id=281, vol=3.007549e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.990 1.118 1.118 weight 1.000 ! spec=Noesy-2013, no=285, id=283, vol=8.678800e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name   HB) 3.812 1.816 1.816 weight 1.000 ! spec=Noesy-2013, no=286, id=284, vol=1.953900e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   74 and name   HA) 2.945 1.084 1.084 weight 1.000 ! spec=Noesy-2013, no=287, id=285, vol=8.465310e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name   HA) 2.638 0.870 0.870 weight 1.000 ! spec=Noesy-2013, no=288, id=286, vol=1.731800e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name   HA) 3.175 1.260 1.260 weight 1.000 ! spec=Noesy-2013, no=290, id=288, vol=5.825460e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HB) 2.207 0.609 0.609 weight 1.000 ! spec=Noesy-2013, no=291, id=289, vol=4.772190e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.884 1.040 1.040 weight 1.000 ! spec=Noesy-2013, no=292, id=290, vol=1.187853e+06
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name   HA) 2.635 0.868 0.868 weight 1.000 ! spec=Noesy-2013, no=293, id=291, vol=1.709870e+06
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   40 and name   HA) 2.606 0.849 0.849 weight 1.000 ! spec=Noesy-2013, no=294, id=292, vol=1.969449e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   25 and name   HA) 2.672 0.892 0.892 weight 1.000 ! spec=Noesy-2013, no=295, id=293, vol=1.691478e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   28 and name   HA) 2.247 0.631 0.631 weight 1.000 ! spec=Noesy-2013, no=296, id=294, vol=4.495456e+06
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   11 and name   HA) 3.020 1.140 1.140 weight 1.000 ! spec=Noesy-2013, no=297, id=295, vol=7.607750e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   28 and name   HA) 3.103 1.203 1.203 weight 1.000 ! spec=Noesy-2013, no=298, id=296, vol=6.473900e+05
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name   HA) 2.421 0.733 0.733 weight 1.000 ! spec=Noesy-2013, no=299, id=297, vol=2.955509e+06
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name   HA)
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   81 and name   HA) 2.758 0.951 0.951 weight 1.000 ! spec=Noesy-2013, no=300, id=298, vol=1.278178e+06
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   23 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=Noesy-2013, no=301, id=299, vol=6.019940e+05
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   54 and name  HA1) 3.346 1.399 1.399 weight 1.000 ! spec=Noesy-2013, no=303, id=301, vol=4.105720e+05
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   80 and name   HA) 3.313 1.372 1.372 weight 1.000 ! spec=Noesy-2013, no=304, id=302, vol=4.690400e+05
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   41 and name   HA) 2.644 0.874 0.874 weight 1.000 ! spec=Noesy-2013, no=306, id=304, vol=1.780136e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   41 and name   HA)
assign (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   48 and name   HA) 3.363 1.414 1.414 weight 1.000 ! spec=Noesy-2013, no=307, id=305, vol=3.829810e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   50 and name   HA) 3.163 1.251 1.251 weight 1.000 ! spec=Noesy-2013, no=308, id=306, vol=5.895840e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   49 and name   HA) 3.295 1.357 1.357 weight 1.000 ! spec=Noesy-2013, no=309, id=307, vol=4.680590e+05
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   74 and name   HA) 3.416 3.416 2.584 weight 1.000 ! spec=Noesy-2013, no=310, id=308, vol=3.839790e+05
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid    2 and name   HA) 3.283 1.347 1.347 weight 1.000 ! spec=Noesy-2013, no=311, id=309, vol=4.677420e+05
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid    2 and name   HA) 3.260 3.260 2.740 weight 1.000 ! spec=Noesy-2013, no=312, id=310, vol=3.946910e+05
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   75 and name   HA) 3.363 1.414 1.414 weight 1.000 ! spec=Noesy-2013, no=313, id=311, vol=3.765540e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.828 1.000 1.000 weight 1.000 ! spec=Noesy-2013, no=315, id=313, vol=1.060382e+06
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name   HA) 2.266 0.642 0.642 weight 1.000 ! spec=Noesy-2013, no=316, id=314, vol=3.918405e+06
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name   HA) 1.909 0.455 0.455 weight 1.000 ! spec=Noesy-2013, no=317, id=315, vol=1.195999e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name   HA) 3.502 1.533 1.533 weight 1.000 ! spec=Noesy-2013, no=318, id=316, vol=2.920260e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.779 0.965 0.965 weight 1.000 ! spec=Noesy-2013, no=319, id=317, vol=1.243033e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    6 and name   HA) 2.842 1.010 1.010 weight 1.000 ! spec=Noesy-2013, no=320, id=318, vol=1.099701e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name   HA) 2.545 0.810 0.810 weight 1.000 ! spec=Noesy-2013, no=321, id=319, vol=2.080642e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name   HA) 2.951 1.088 1.088 weight 1.000 ! spec=Noesy-2013, no=322, id=320, vol=9.773950e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name   HA) 2.343 2.343 3.657 weight 1.000 ! spec=Noesy-2013, no=323, id=321, vol=3.633932e+06
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name   HA) 2.451 0.751 0.751 weight 1.000 ! spec=Noesy-2013, no=324, id=322, vol=2.810506e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   82 and name   HA) 3.148 1.239 1.239 weight 1.000 ! spec=Noesy-2013, no=325, id=323, vol=6.003420e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name   HB) 2.472 0.764 0.764 weight 1.000 ! spec=Noesy-2013, no=326, id=324, vol=2.646322e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HB) 2.352 0.691 0.691 weight 1.000 ! spec=Noesy-2013, no=327, id=325, vol=3.574536e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name   HB) 2.929 1.072 1.072 weight 1.000 ! spec=Noesy-2013, no=328, id=326, vol=9.533480e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   37 and name   HB) 2.990 1.117 1.117 weight 1.000 ! spec=Noesy-2013, no=329, id=327, vol=8.084300e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   77 and name   HB) 3.292 1.354 1.354 weight 1.000 ! spec=Noesy-2013, no=330, id=328, vol=4.779300e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   76 and name   HA) 3.774 1.781 1.781 weight 1.000 ! spec=Noesy-2013, no=331, id=329, vol=1.844820e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name   HA) 3.827 1.831 1.831 weight 1.000 ! spec=Noesy-2013, no=332, id=330, vol=1.717500e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid    2 and name   HA) 2.776 0.963 0.963 weight 1.000 ! spec=Noesy-2013, no=333, id=331, vol=1.138233e+06
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid    2 and name  HD1) 3.643 1.659 1.659 weight 1.000 ! spec=Noesy-2013, no=334, id=332, vol=2.236920e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   33 and name  HB1) 3.532 1.560 1.560 weight 1.000 ! spec=Noesy-2013, no=335, id=333, vol=2.858020e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HA1) 3.951 1.951 1.951 weight 1.000 ! spec=Noesy-2013, no=336, id=334, vol=1.755280e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name  HD2) 3.833 1.836 1.836 weight 1.000 ! spec=Noesy-2013, no=337, id=335, vol=1.838010e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   13 and name  HA1) 3.629 1.646 1.646 weight 1.000 ! spec=Noesy-2013, no=338, id=336, vol=2.890840e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.672 0.893 0.893 weight 1.000 ! spec=Noesy-2013, no=339, id=337, vol=1.682303e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name  HB2) 3.158 1.247 1.247 weight 1.000 ! spec=Noesy-2013, no=340, id=338, vol=6.209490e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   72 and name  HD1) 4.059 2.060 2.060 weight 1.000 ! spec=Noesy-2013, no=341, id=339, vol=1.467390e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   13 and name  HA1) 3.567 1.591 1.591 weight 1.000 ! spec=Noesy-2013, no=342, id=340, vol=2.926550e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HD1) 3.488 1.521 1.521 weight 1.000 ! spec=Noesy-2013, no=343, id=341, vol=3.225650e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HD2) 3.450 1.488 1.488 weight 1.000 ! spec=Noesy-2013, no=344, id=342, vol=3.389930e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 2.327 0.677 0.677 weight 1.000 ! spec=Noesy-2013, no=345, id=343, vol=3.534754e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name  HB1) 3.482 1.516 1.516 weight 1.000 ! spec=Noesy-2013, no=347, id=345, vol=3.423370e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name   HA) 2.588 0.837 0.837 weight 1.000 ! spec=Noesy-2013, no=348, id=346, vol=1.968953e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.937 1.078 1.078 weight 1.000 ! spec=Noesy-2013, no=349, id=347, vol=8.904930e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    5 and name   HA) 2.544 0.809 0.809 weight 1.000 ! spec=Noesy-2013, no=350, id=348, vol=2.124494e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.277 0.648 0.648 weight 1.000 ! spec=Noesy-2013, no=351, id=349, vol=4.158212e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name  HA2) 2.597 0.843 0.843 weight 1.000 ! spec=Noesy-2013, no=352, id=350, vol=2.015287e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HA1) 2.224 0.618 0.618 weight 1.000 ! spec=Noesy-2013, no=355, id=353, vol=4.755563e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name   HA) 3.104 1.205 1.205 weight 1.000 ! spec=Noesy-2013, no=356, id=354, vol=6.381620e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name   HA) 2.855 1.019 1.019 weight 1.000 ! spec=Noesy-2013, no=357, id=355, vol=1.093713e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name  HA2) 2.856 1.019 1.019 weight 1.000 ! spec=Noesy-2013, no=358, id=356, vol=1.117203e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=Noesy-2013, no=359, id=357, vol=1.882300e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HB) 3.309 1.369 1.369 weight 1.000 ! spec=Noesy-2013, no=360, id=358, vol=4.666470e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 3.076 1.183 1.183 weight 1.000 ! spec=Noesy-2013, no=361, id=359, vol=8.347680e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HA1) 2.350 0.690 0.690 weight 1.000 ! spec=Noesy-2013, no=365, id=363, vol=3.617848e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name  HA1) 2.471 0.763 0.763 weight 1.000 ! spec=Noesy-2013, no=366, id=364, vol=2.714508e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HA1) 2.395 0.717 0.717 weight 1.000 ! spec=Noesy-2013, no=367, id=365, vol=3.239052e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB1) 2.656 0.882 0.882 weight 1.000 ! spec=Noesy-2013, no=368, id=366, vol=1.766177e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.899 1.051 1.051 weight 1.000 ! spec=Noesy-2013, no=369, id=367, vol=1.121889e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HA1) 2.347 0.689 0.689 weight 1.000 ! spec=Noesy-2013, no=370, id=368, vol=3.643617e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HB1) 3.003 1.127 1.127 weight 1.000 ! spec=Noesy-2013, no=371, id=369, vol=8.116820e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HB2) 3.068 1.177 1.177 weight 1.000 ! spec=Noesy-2013, no=372, id=370, vol=6.954450e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name  HA1) 2.815 0.990 0.990 weight 1.000 ! spec=Noesy-2013, no=373, id=371, vol=1.229677e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB1) 2.820 0.994 0.994 weight 1.000 ! spec=Noesy-2013, no=374, id=372, vol=1.137470e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB2) 2.861 1.023 1.023 weight 1.000 ! spec=Noesy-2013, no=375, id=373, vol=1.065486e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name   HA) 2.527 2.527 3.473 weight 1.000 ! spec=Noesy-2013, no=376, id=374, vol=2.340037e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   71 and name  HB2) 3.530 1.557 1.557 weight 1.000 ! spec=Noesy-2013, no=377, id=375, vol=3.234560e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.785 0.969 0.969 weight 1.000 ! spec=Noesy-2013, no=378, id=376, vol=1.306390e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.417 0.730 0.730 weight 1.000 ! spec=Noesy-2013, no=379, id=377, vol=2.740952e+06
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    2 and name  HD1) 3.701 3.701 2.299 weight 1.000 ! spec=Noesy-2013, no=380, id=378, vol=2.065030e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HA1) 2.461 0.757 0.757 weight 1.000 ! spec=Noesy-2013, no=381, id=379, vol=2.703927e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   53 and name  HA1) 3.412 1.455 1.455 weight 1.000 ! spec=Noesy-2013, no=383, id=381, vol=3.701430e+05
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   10 and name  HA1) 3.391 1.437 1.437 weight 1.000 ! spec=Noesy-2013, no=384, id=382, vol=4.031220e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HA1)
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   33 and name  HB1) 2.572 2.572 3.428 weight 1.000 ! spec=Noesy-2013, no=385, id=383, vol=2.046285e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.631 1.648 1.648 weight 1.000 ! spec=Noesy-2013, no=386, id=384, vol=2.604740e+05
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   33 and name  HB1) 2.250 0.633 0.633 weight 1.000 ! spec=Noesy-2013, no=388, id=386, vol=3.963397e+06
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   72 and name  HD2) 3.958 1.958 1.958 weight 1.000 ! spec=Noesy-2013, no=389, id=387, vol=1.627220e+05
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   29 and name  HA1) 3.625 1.642 1.642 weight 1.000 ! spec=Noesy-2013, no=390, id=388, vol=2.459120e+05
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   29 and name  HA1)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name  HD1) 3.540 1.566 1.566 weight 1.000 ! spec=Noesy-2013, no=391, id=389, vol=2.947160e+05
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   44 and name  HB1) 3.602 1.622 1.622 weight 1.000 ! spec=Noesy-2013, no=392, id=390, vol=2.591180e+05
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   44 and name  HB1)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name  HD2) 3.120 1.217 1.217 weight 1.000 ! spec=Noesy-2013, no=394, id=392, vol=6.544000e+05
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   71 and name  HB2) 3.385 1.432 1.432 weight 1.000 ! spec=Noesy-2013, no=395, id=393, vol=3.858400e+05
assign (segid "   A" and resid   35 and name HE22) (segid "   A" and resid   33 and name  HB1) 3.778 1.784 1.784 weight 1.000 ! spec=Noesy-2013, no=396, id=394, vol=1.896820e+05
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name  HA1) 3.257 1.326 1.326 weight 1.000 ! spec=Noesy-2013, no=397, id=395, vol=5.021830e+05
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name  HA1)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   10 and name  HA1) 3.781 1.787 1.787 weight 1.000 ! spec=Noesy-2013, no=398, id=396, vol=1.999210e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   10 and name  HA1)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    7 and name   HA) 3.764 1.771 1.771 weight 1.000 ! spec=Noesy-2013, no=399, id=397, vol=2.048720e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   25 and name  HB2) 2.287 0.654 0.654 weight 1.000 ! spec=Noesy-2013, no=400, id=398, vol=4.074228e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   56 and name  HB1) 2.641 0.872 0.872 weight 1.000 ! spec=Noesy-2013, no=401, id=399, vol=1.803331e+06
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   24 and name  HD1) 2.573 0.828 0.828 weight 1.000 ! spec=Noesy-2013, no=402, id=400, vol=1.971108e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   24 and name  HD1)
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   56 and name  HB1) 2.984 1.113 1.113 weight 1.000 ! spec=Noesy-2013, no=403, id=401, vol=8.038410e+05
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name  HB1) 2.437 0.743 0.743 weight 1.000 ! spec=Noesy-2013, no=404, id=402, vol=2.894061e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   76 and name  HH2) (segid "   A" and resid   58 and name  HB1) 3.441 1.480 1.480 weight 1.000 ! spec=Noesy-2013, no=405, id=403, vol=3.821780e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB1) 2.785 0.969 0.969 weight 1.000 ! spec=Noesy-2013, no=406, id=404, vol=1.230823e+06
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   58 and name  HB1) 3.277 1.342 1.342 weight 1.000 ! spec=Noesy-2013, no=407, id=405, vol=5.989080e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   58 and name  HB1) 3.276 1.341 1.341 weight 1.000 ! spec=Noesy-2013, no=410, id=408, vol=4.579520e+05
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   58 and name  HB1) 2.850 1.015 1.015 weight 1.000 ! spec=Noesy-2013, no=411, id=409, vol=1.112203e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.656 0.882 0.882 weight 1.000 ! spec=Noesy-2013, no=413, id=411, vol=1.707344e+06
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   24 and name  HD1) 2.797 0.978 0.978 weight 1.000 ! spec=Noesy-2013, no=414, id=412, vol=1.209617e+06
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   24 and name  HD1)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    2 and name  HD2) 3.607 1.627 1.627 weight 1.000 ! spec=Noesy-2013, no=415, id=413, vol=2.563310e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name  HD2) 2.881 1.038 1.038 weight 1.000 ! spec=Noesy-2013, no=416, id=414, vol=1.073859e+06
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   59 and name  HD2) 3.562 1.586 1.586 weight 1.000 ! spec=Noesy-2013, no=417, id=415, vol=3.167670e+05
assign (segid "   A" and resid   33 and name  HE3) (segid "   A" and resid   33 and name  HB2) 2.517 0.792 0.792 weight 1.000 ! spec=Noesy-2013, no=418, id=416, vol=2.291811e+06
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   59 and name  HD2) 2.840 1.008 1.008 weight 1.000 ! spec=Noesy-2013, no=419, id=417, vol=1.018467e+06
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   54 and name  HA2) 3.579 1.601 1.601 weight 1.000 ! spec=Noesy-2013, no=425, id=423, vol=2.635060e+05
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   56 and name  HB2) 2.741 0.939 0.939 weight 1.000 ! spec=Noesy-2013, no=426, id=424, vol=1.358822e+06
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   76 and name  HB1) 2.916 2.916 3.084 weight 1.000 ! spec=Noesy-2013, no=427, id=425, vol=9.529710e+05
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   56 and name  HB2) 2.398 0.719 0.719 weight 1.000 ! spec=Noesy-2013, no=428, id=426, vol=3.245397e+06
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   76 and name  HB1) 2.535 0.803 0.803 weight 1.000 ! spec=Noesy-2013, no=429, id=427, vol=2.356433e+06
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name  HB2) 2.369 0.702 0.702 weight 1.000 ! spec=Noesy-2013, no=430, id=428, vol=3.362191e+06
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name  HB2)
assign (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   46 and name  HB2) 3.113 1.211 1.211 weight 1.000 ! spec=Noesy-2013, no=431, id=429, vol=5.879070e+05
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   46 and name  HB2)
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    8 and name  HB1) 3.622 3.622 2.378 weight 1.000 ! spec=Noesy-2013, no=432, id=430, vol=2.396310e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HB1) 3.121 1.218 1.218 weight 1.000 ! spec=Noesy-2013, no=433, id=431, vol=6.254430e+05
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   76 and name  HB2) 2.829 1.000 1.000 weight 1.000 ! spec=Noesy-2013, no=434, id=432, vol=1.141463e+06
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   76 and name  HB1) 2.928 1.072 1.072 weight 1.000 ! spec=Noesy-2013, no=435, id=433, vol=9.216810e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.432 1.473 1.473 weight 1.000 ! spec=Noesy-2013, no=436, id=434, vol=3.358870e+05
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid   11 and name  HB1) 3.360 1.412 1.412 weight 1.000 ! spec=Noesy-2013, no=437, id=435, vol=4.015760e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   54 and name  HA2) 3.423 1.465 1.465 weight 1.000 ! spec=Noesy-2013, no=439, id=437, vol=3.420610e+05
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   28 and name  HB2) 3.159 1.248 1.248 weight 1.000 ! spec=Noesy-2013, no=440, id=438, vol=5.938250e+05
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   46 and name  HB1) 3.567 1.591 1.591 weight 1.000 ! spec=Noesy-2013, no=441, id=439, vol=3.056740e+05
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   55 and name  HB2) 2.915 1.062 1.062 weight 1.000 ! spec=Noesy-2013, no=443, id=441, vol=9.070780e+05
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid   11 and name  HB2) 2.392 0.715 0.715 weight 1.000 ! spec=Noesy-2013, no=444, id=442, vol=3.282471e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name  HB1) 2.353 0.692 0.692 weight 1.000 ! spec=Noesy-2013, no=446, id=444, vol=3.502022e+06
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   46 and name  HB1)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   28 and name  HB2) 2.266 0.642 0.642 weight 1.000 ! spec=Noesy-2013, no=448, id=446, vol=4.293838e+06
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name  HB2) 2.843 1.010 1.010 weight 1.000 ! spec=Noesy-2013, no=449, id=447, vol=1.162027e+06
assign (segid "   A" and resid   76 and name  HH2) (segid "   A" and resid   58 and name  HB2) 3.150 1.240 1.240 weight 1.000 ! spec=Noesy-2013, no=450, id=448, vol=6.199640e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB2) 2.489 0.774 0.774 weight 1.000 ! spec=Noesy-2013, no=451, id=449, vol=2.448253e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.423 0.734 0.734 weight 1.000 ! spec=Noesy-2013, no=452, id=450, vol=3.010879e+06
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   58 and name  HB2) 3.476 1.511 1.511 weight 1.000 ! spec=Noesy-2013, no=454, id=452, vol=3.212260e+05
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   58 and name  HB2) 2.896 1.048 1.048 weight 1.000 ! spec=Noesy-2013, no=455, id=453, vol=1.015580e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   58 and name  HB2) 3.582 1.604 1.604 weight 1.000 ! spec=Noesy-2013, no=456, id=454, vol=2.794260e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   78 and name  HB2) 3.681 1.694 1.694 weight 1.000 ! spec=Noesy-2013, no=457, id=455, vol=2.453490e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB2) 2.434 0.741 0.741 weight 1.000 ! spec=Noesy-2013, no=458, id=456, vol=2.878887e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.641 1.657 1.657 weight 1.000 ! spec=Noesy-2013, no=459, id=457, vol=2.324060e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.540 1.567 1.567 weight 1.000 ! spec=Noesy-2013, no=460, id=458, vol=3.014850e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    2 and name  HD2) 2.475 2.475 3.525 weight 1.000 ! spec=Noesy-2013, no=462, id=460, vol=2.703100e+06
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name  HA2) 2.261 0.639 0.639 weight 1.000 ! spec=Noesy-2013, no=463, id=461, vol=4.565524e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name  HB2) 2.579 0.831 0.831 weight 1.000 ! spec=Noesy-2013, no=465, id=463, vol=2.123066e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name  HB1) 2.778 0.965 0.965 weight 1.000 ! spec=Noesy-2013, no=466, id=464, vol=1.432476e+06
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   79 and name  HB2) 3.314 1.373 1.373 weight 1.000 ! spec=Noesy-2013, no=467, id=465, vol=4.555830e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.910 1.911 1.911 weight 1.000 ! spec=Noesy-2013, no=468, id=466, vol=1.601250e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   79 and name  HB2) 3.288 3.288 2.712 weight 1.000 ! spec=Noesy-2013, no=469, id=467, vol=4.614440e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.818 1.822 1.822 weight 1.000 ! spec=Noesy-2013, no=470, id=468, vol=1.947570e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB2) 2.683 0.900 0.900 weight 1.000 ! spec=Noesy-2013, no=471, id=469, vol=1.592284e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name  HB2) 2.593 0.840 0.840 weight 1.000 ! spec=Noesy-2013, no=472, id=470, vol=1.995696e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.415 1.458 1.458 weight 1.000 ! spec=Noesy-2013, no=473, id=471, vol=3.867580e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.483 1.517 1.517 weight 1.000 ! spec=Noesy-2013, no=475, id=473, vol=3.226890e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   78 and name  HB1) 3.654 1.669 1.669 weight 1.000 ! spec=Noesy-2013, no=476, id=474, vol=2.600160e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB2) 2.567 0.824 0.824 weight 1.000 ! spec=Noesy-2013, no=477, id=475, vol=2.104044e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   71 and name  HB1) 3.594 1.614 1.614 weight 1.000 ! spec=Noesy-2013, no=479, id=477, vol=2.681110e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   78 and name  HB2) 3.647 1.662 1.662 weight 1.000 ! spec=Noesy-2013, no=480, id=478, vol=2.911230e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   25 and name  HB2) 3.551 3.551 2.449 weight 1.000 ! spec=Noesy-2013, no=482, id=480, vol=2.817680e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HD2) 4.142 2.145 2.145 weight 1.000 ! spec=Noesy-2013, no=484, id=482, vol=1.547810e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name  HA2) 2.360 0.696 0.696 weight 1.000 ! spec=Noesy-2013, no=485, id=483, vol=3.544803e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.487 0.773 0.773 weight 1.000 ! spec=Noesy-2013, no=486, id=484, vol=2.422879e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.798 0.979 0.979 weight 1.000 ! spec=Noesy-2013, no=487, id=485, vol=1.206390e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   79 and name  HB2) 3.501 1.533 1.533 weight 1.000 ! spec=Noesy-2013, no=488, id=486, vol=3.352440e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   78 and name  HB1) 3.747 1.755 1.755 weight 1.000 ! spec=Noesy-2013, no=489, id=487, vol=2.418810e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.343 0.686 0.686 weight 1.000 ! spec=Noesy-2013, no=491, id=489, vol=3.364929e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB2) 2.826 0.998 0.998 weight 1.000 ! spec=Noesy-2013, no=492, id=490, vol=1.247294e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.271 0.645 0.645 weight 1.000 ! spec=Noesy-2013, no=493, id=491, vol=4.077700e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HB1) 2.794 0.976 0.976 weight 1.000 ! spec=Noesy-2013, no=494, id=492, vol=1.262856e+06
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB2) 2.456 0.754 0.754 weight 1.000 ! spec=Noesy-2013, no=496, id=494, vol=2.757792e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HB1) 2.725 0.928 0.928 weight 1.000 ! spec=Noesy-2013, no=497, id=495, vol=1.576854e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   79 and name  HB2) 2.818 0.993 0.993 weight 1.000 ! spec=Noesy-2013, no=498, id=496, vol=1.224268e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HB2) 2.422 0.734 0.734 weight 1.000 ! spec=Noesy-2013, no=499, id=497, vol=3.000179e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB1) 2.438 0.743 0.743 weight 1.000 ! spec=Noesy-2013, no=500, id=498, vol=2.805467e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name  HB2) 3.288 1.351 1.351 weight 1.000 ! spec=Noesy-2013, no=501, id=499, vol=4.861090e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.307 0.665 0.665 weight 1.000 ! spec=Noesy-2013, no=502, id=500, vol=3.883177e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HD1) 3.041 3.041 2.959 weight 1.000 ! spec=Noesy-2013, no=503, id=501, vol=7.346340e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name  HB1) 3.323 1.381 1.381 weight 1.000 ! spec=Noesy-2013, no=504, id=502, vol=4.567320e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HB2) 2.603 0.847 0.847 weight 1.000 ! spec=Noesy-2013, no=505, id=503, vol=1.989977e+06
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name  HB2) 3.110 1.209 1.209 weight 1.000 ! spec=Noesy-2013, no=506, id=504, vol=7.235510e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   76 and name  HB1) 3.393 1.439 1.439 weight 1.000 ! spec=Noesy-2013, no=507, id=505, vol=4.281230e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   58 and name  HB1) 3.230 1.304 1.304 weight 1.000 ! spec=Noesy-2013, no=508, id=506, vol=5.004790e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid   32 and name  HB2) 4.055 2.056 2.056 weight 1.000 ! spec=Noesy-2013, no=509, id=507, vol=1.272410e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   59 and name  HD2) 3.001 1.125 1.125 weight 1.000 ! spec=Noesy-2013, no=510, id=508, vol=7.487860e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   76 and name  HB2) 3.998 1.998 1.998 weight 1.000 ! spec=Noesy-2013, no=511, id=509, vol=1.273420e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   76 and name  HB1) 4.180 2.184 2.184 weight 1.000 ! spec=Noesy-2013, no=512, id=510, vol=8.920300e+04
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   58 and name  HB2) 3.570 1.594 1.594 weight 1.000 ! spec=Noesy-2013, no=513, id=511, vol=2.483430e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   59 and name  HD1) 2.994 1.121 1.121 weight 1.000 ! spec=Noesy-2013, no=514, id=512, vol=7.552720e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.499 1.530 1.530 weight 1.000 ! spec=Noesy-2013, no=515, id=513, vol=3.171360e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   38 and name  HB2) 3.467 1.503 1.503 weight 1.000 ! spec=Noesy-2013, no=517, id=515, vol=3.296120e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.527 0.798 0.798 weight 1.000 ! spec=Noesy-2013, no=518, id=516, vol=2.334828e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name  HB1) 3.259 1.327 1.327 weight 1.000 ! spec=Noesy-2013, no=519, id=517, vol=5.165880e+05
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HB1) 2.502 0.782 0.782 weight 1.000 ! spec=Noesy-2013, no=520, id=518, vol=2.528360e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   28 and name  HB2) 3.577 1.600 1.600 weight 1.000 ! spec=Noesy-2013, no=521, id=519, vol=3.012580e+05
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name  HB2) 2.822 0.995 0.995 weight 1.000 ! spec=Noesy-2013, no=522, id=520, vol=1.298636e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name  HB1) 2.826 0.998 0.998 weight 1.000 ! spec=Noesy-2013, no=523, id=521, vol=1.222894e+06
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name  HB2) 2.673 0.893 0.893 weight 1.000 ! spec=Noesy-2013, no=525, id=523, vol=1.669287e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.441 0.745 0.745 weight 1.000 ! spec=Noesy-2013, no=526, id=524, vol=2.949069e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HB1) 2.427 0.736 0.736 weight 1.000 ! spec=Noesy-2013, no=529, id=527, vol=2.998275e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HB2) 2.364 0.699 0.699 weight 1.000 ! spec=Noesy-2013, no=530, id=528, vol=3.474981e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name  HB1) 3.473 1.508 1.508 weight 1.000 ! spec=Noesy-2013, no=531, id=529, vol=4.209440e+05
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB1) 2.722 0.926 0.926 weight 1.000 ! spec=Noesy-2013, no=532, id=530, vol=1.518707e+06
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   79 and name  HB1) 3.391 1.438 1.438 weight 1.000 ! spec=Noesy-2013, no=534, id=532, vol=4.064120e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.869 1.029 1.029 weight 1.000 ! spec=Noesy-2013, no=535, id=533, vol=1.085639e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   41 and name  HB2) 3.534 1.561 1.561 weight 1.000 ! spec=Noesy-2013, no=536, id=534, vol=3.076480e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   49 and name  HB1) 4.178 2.182 2.182 weight 1.000 ! spec=Noesy-2013, no=537, id=535, vol=1.574560e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.242 1.314 1.314 weight 1.000 ! spec=Noesy-2013, no=538, id=536, vol=5.199480e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.042 1.157 1.157 weight 1.000 ! spec=Noesy-2013, no=539, id=537, vol=8.029110e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB2) 3.449 1.487 1.487 weight 1.000 ! spec=Noesy-2013, no=540, id=538, vol=3.671810e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   79 and name  HB1) 3.706 1.717 1.717 weight 1.000 ! spec=Noesy-2013, no=542, id=540, vol=2.225080e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.632 2.632 3.368 weight 1.000 ! spec=Noesy-2013, no=543, id=541, vol=1.743821e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.784 3.784 2.216 weight 1.000 ! spec=Noesy-2013, no=544, id=542, vol=1.948820e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   25 and name  HB1) 3.186 1.269 1.269 weight 1.000 ! spec=Noesy-2013, no=545, id=543, vol=5.803590e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.486 0.773 0.773 weight 1.000 ! spec=Noesy-2013, no=546, id=544, vol=2.579183e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 2.567 0.824 0.824 weight 1.000 ! spec=Noesy-2013, no=547, id=545, vol=2.091316e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HB1) 2.568 0.825 0.825 weight 1.000 ! spec=Noesy-2013, no=548, id=546, vol=2.155034e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   59 and name  HD1) 3.706 1.717 1.717 weight 1.000 ! spec=Noesy-2013, no=549, id=547, vol=2.511080e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HG1) 3.390 1.436 1.436 weight 1.000 ! spec=Noesy-2013, no=551, id=549, vol=3.809900e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   63 and name  HB1) 3.522 1.551 1.551 weight 1.000 ! spec=Noesy-2013, no=553, id=551, vol=2.985730e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HB2) 3.124 1.220 1.220 weight 1.000 ! spec=Noesy-2013, no=554, id=552, vol=6.874600e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.110 1.209 1.209 weight 1.000 ! spec=Noesy-2013, no=555, id=553, vol=6.477530e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   52 and name  HE2) 3.642 1.658 1.658 weight 1.000 ! spec=Noesy-2013, no=556, id=554, vol=2.978510e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   52 and name  HE2) 3.315 1.374 1.374 weight 1.000 ! spec=Noesy-2013, no=557, id=555, vol=4.551000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.625 1.642 1.642 weight 1.000 ! spec=Noesy-2013, no=558, id=556, vol=2.518020e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB1) 2.539 2.539 3.461 weight 1.000 ! spec=Noesy-2013, no=559, id=557, vol=2.238186e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name  HB1) 2.810 0.987 0.987 weight 1.000 ! spec=Noesy-2013, no=560, id=558, vol=1.222638e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   79 and name  HB1) 3.695 1.707 1.707 weight 1.000 ! spec=Noesy-2013, no=561, id=559, vol=2.478580e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name  HB1) 3.977 1.977 1.977 weight 1.000 ! spec=Noesy-2013, no=563, id=561, vol=1.433980e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HG1) 2.485 0.772 0.772 weight 1.000 ! spec=Noesy-2013, no=564, id=562, vol=2.551555e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   59 and name  HD1) 3.736 1.745 1.745 weight 1.000 ! spec=Noesy-2013, no=565, id=563, vol=2.466970e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.657 0.882 0.882 weight 1.000 ! spec=Noesy-2013, no=567, id=565, vol=1.699294e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.670 2.670 3.330 weight 1.000 ! spec=Noesy-2013, no=568, id=566, vol=1.646593e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.442 1.481 1.481 weight 1.000 ! spec=Noesy-2013, no=569, id=567, vol=4.264130e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name  HB2) 3.755 1.762 1.762 weight 1.000 ! spec=Noesy-2013, no=570, id=568, vol=2.028890e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HG2) 3.357 1.408 1.408 weight 1.000 ! spec=Noesy-2013, no=571, id=569, vol=4.326870e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.497 1.528 1.528 weight 1.000 ! spec=Noesy-2013, no=573, id=571, vol=3.309880e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name  HG1) 3.710 1.721 1.721 weight 1.000 ! spec=Noesy-2013, no=574, id=572, vol=2.348850e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB1) 2.529 0.799 0.799 weight 1.000 ! spec=Noesy-2013, no=575, id=573, vol=2.285324e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HG2) 2.601 0.846 0.846 weight 1.000 ! spec=Noesy-2013, no=576, id=574, vol=1.913994e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.734 1.743 1.743 weight 1.000 ! spec=Noesy-2013, no=577, id=575, vol=2.122530e+05
assign (segid "   A" and resid   35 and name HE21) (segid "   A" and resid   35 and name  HG1) 2.840 1.008 1.008 weight 1.000 ! spec=Noesy-2013, no=578, id=576, vol=1.030316e+06
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name  HD1) 3.399 1.444 1.444 weight 1.000 ! spec=Noesy-2013, no=579, id=577, vol=3.816690e+05
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   41 and name  HB2) 2.911 1.060 1.060 weight 1.000 ! spec=Noesy-2013, no=580, id=578, vol=1.008525e+06
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   41 and name  HB2)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   59 and name  HD1) 2.581 0.833 0.833 weight 1.000 ! spec=Noesy-2013, no=581, id=579, vol=1.905944e+06
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   41 and name  HB2) 3.311 1.370 1.370 weight 1.000 ! spec=Noesy-2013, no=582, id=580, vol=4.502220e+05
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   35 and name  HG1) 3.499 1.531 1.531 weight 1.000 ! spec=Noesy-2013, no=583, id=581, vol=3.315550e+05
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   79 and name  HB1) 3.737 1.745 1.745 weight 1.000 ! spec=Noesy-2013, no=584, id=582, vol=2.220140e+05
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   25 and name  HB1) 2.305 0.664 0.664 weight 1.000 ! spec=Noesy-2013, no=585, id=583, vol=3.909231e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   28 and name  HB1) 2.341 0.685 0.685 weight 1.000 ! spec=Noesy-2013, no=586, id=584, vol=3.506850e+06
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   35 and name HE22) (segid "   A" and resid   35 and name  HG1) 3.149 1.240 1.240 weight 1.000 ! spec=Noesy-2013, no=587, id=585, vol=5.531150e+05
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   28 and name  HB1) 3.209 1.287 1.287 weight 1.000 ! spec=Noesy-2013, no=589, id=587, vol=5.175210e+05
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   39 and name  HB2) 2.663 0.886 0.886 weight 1.000 ! spec=Noesy-2013, no=590, id=588, vol=1.687046e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   35 and name HE22) (segid "   A" and resid   35 and name  HG2) 3.290 1.353 1.353 weight 1.000 ! spec=Noesy-2013, no=591, id=589, vol=4.282930e+05
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   39 and name  HB2) 3.207 3.207 2.793 weight 1.000 ! spec=Noesy-2013, no=592, id=590, vol=5.987910e+05
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   50 and name  HG1) 3.189 1.271 1.271 weight 1.000 ! spec=Noesy-2013, no=593, id=591, vol=5.940620e+05
assign (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   50 and name  HG2) 3.291 1.354 1.354 weight 1.000 ! spec=Noesy-2013, no=594, id=592, vol=4.137550e+05
assign (segid "   A" and resid   75 and name   HE) (segid "   A" and resid   75 and name  HB2) 3.457 1.494 1.494 weight 1.000 ! spec=Noesy-2013, no=595, id=593, vol=3.692480e+05
assign (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   34 and name  HB1) 3.503 1.534 1.534 weight 1.000 ! spec=Noesy-2013, no=596, id=594, vol=3.257480e+05
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   75 and name  HB2) 2.901 1.052 1.052 weight 1.000 ! spec=Noesy-2013, no=597, id=595, vol=9.096860e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB2) 3.525 1.553 1.553 weight 1.000 ! spec=Noesy-2013, no=598, id=596, vol=3.338250e+05
assign (segid "   A" and resid   50 and name HE21) (segid "   A" and resid   50 and name  HG1) 2.662 0.886 0.886 weight 1.000 ! spec=Noesy-2013, no=599, id=597, vol=1.546947e+06
assign (segid "   A" and resid   50 and name HE21) (segid "   A" and resid   50 and name  HG2) 2.886 1.041 1.041 weight 1.000 ! spec=Noesy-2013, no=600, id=598, vol=9.052180e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   63 and name  HB1) 3.799 1.804 1.804 weight 1.000 ! spec=Noesy-2013, no=603, id=601, vol=1.807420e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB1) 2.688 0.903 0.903 weight 1.000 ! spec=Noesy-2013, no=604, id=602, vol=1.606494e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name  HB2) 3.448 1.486 1.486 weight 1.000 ! spec=Noesy-2013, no=605, id=603, vol=3.803370e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB2) 2.580 0.832 0.832 weight 1.000 ! spec=Noesy-2013, no=606, id=604, vol=2.041670e+06
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HG1) 3.698 1.710 1.710 weight 1.000 ! spec=Noesy-2013, no=607, id=605, vol=2.268330e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HG2) 3.826 1.830 1.830 weight 1.000 ! spec=Noesy-2013, no=608, id=606, vol=2.007160e+05
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   58 and name   HA) 3.205 1.284 1.284 weight 1.000 ! spec=Noesy-2013, no=609, id=607, vol=5.531740e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   58 and name   HA) 3.702 1.713 1.713 weight 1.000 ! spec=Noesy-2013, no=610, id=608, vol=2.241400e+05
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   22 and name  HG2) 3.621 1.639 1.639 weight 1.000 ! spec=Noesy-2013, no=611, id=609, vol=2.640950e+05
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   35 and name HE22) (segid "   A" and resid   35 and name  HB2) 3.719 1.729 1.729 weight 1.000 ! spec=Noesy-2013, no=612, id=610, vol=1.993320e+05
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   67 and name  HG2) 3.232 1.306 1.306 weight 1.000 ! spec=Noesy-2013, no=613, id=611, vol=4.973350e+05
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   52 and name  HB1) 3.023 1.143 1.143 weight 1.000 ! spec=Noesy-2013, no=614, id=612, vol=7.440060e+05
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name   HB) 3.174 3.174 2.826 weight 1.000 ! spec=Noesy-2013, no=616, id=614, vol=5.975190e+05
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name   HB)
assign (segid "   A" and resid   35 and name HE22) (segid "   A" and resid   35 and name  HB1) 3.713 1.723 1.723 weight 1.000 ! spec=Noesy-2013, no=617, id=615, vol=2.083690e+05
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   40 and name   HB) 3.499 1.530 1.530 weight 1.000 ! spec=Noesy-2013, no=618, id=616, vol=3.276540e+05
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   40 and name   HB)
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    7 and name  HG2) 2.825 0.998 0.998 weight 1.000 ! spec=Noesy-2013, no=619, id=617, vol=1.194467e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name  HG2)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   39 and name  HB1) 3.082 1.187 1.187 weight 1.000 ! spec=Noesy-2013, no=620, id=618, vol=8.020170e+05
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   67 and name HE21) (segid "   A" and resid   52 and name  HB2) 3.112 1.211 1.211 weight 1.000 ! spec=Noesy-2013, no=621, id=619, vol=6.263570e+05
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   58 and name   HA) 3.501 1.532 1.532 weight 1.000 ! spec=Noesy-2013, no=622, id=620, vol=3.235690e+05
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   58 and name   HA) 3.652 1.668 1.668 weight 1.000 ! spec=Noesy-2013, no=623, id=621, vol=2.413270e+05
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name  HG2) 2.771 0.960 0.960 weight 1.000 ! spec=Noesy-2013, no=624, id=622, vol=1.310292e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   76 and name  HH2) (segid "   A" and resid   58 and name   HA) 3.717 1.727 1.727 weight 1.000 ! spec=Noesy-2013, no=625, id=623, vol=2.228750e+05
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   58 and name   HA) 3.013 1.134 1.134 weight 1.000 ! spec=Noesy-2013, no=626, id=624, vol=7.461440e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name   HA) 2.871 1.030 1.030 weight 1.000 ! spec=Noesy-2013, no=627, id=625, vol=1.055088e+06
assign (segid "   A" and resid   75 and name   HE) (segid "   A" and resid   75 and name  HB1) 3.406 1.450 1.450 weight 1.000 ! spec=Noesy-2013, no=628, id=626, vol=3.818160e+05
assign (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   34 and name  HB2) 3.374 1.423 1.423 weight 1.000 ! spec=Noesy-2013, no=629, id=627, vol=3.823630e+05
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   75 and name  HB1) 3.279 1.344 1.344 weight 1.000 ! spec=Noesy-2013, no=630, id=628, vol=4.143800e+05
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   41 and name  HB1) 3.054 1.166 1.166 weight 1.000 ! spec=Noesy-2013, no=631, id=629, vol=7.330610e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name   HB) 2.428 0.737 0.737 weight 1.000 ! spec=Noesy-2013, no=632, id=630, vol=3.016253e+06
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   57 and name   HB) 3.625 1.643 1.643 weight 1.000 ! spec=Noesy-2013, no=633, id=631, vol=2.570470e+05
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   40 and name   HB) 2.990 1.118 1.118 weight 1.000 ! spec=Noesy-2013, no=634, id=632, vol=8.003610e+05
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   40 and name   HB)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   40 and name   HB) 3.614 1.632 1.632 weight 1.000 ! spec=Noesy-2013, no=635, id=633, vol=2.763370e+05
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   40 and name   HB)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   39 and name  HB1) 2.851 1.016 1.016 weight 1.000 ! spec=Noesy-2013, no=636, id=634, vol=1.134418e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   22 and name  HB2) 2.712 0.919 0.919 weight 1.000 ! spec=Noesy-2013, no=637, id=635, vol=1.497031e+06
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   57 and name   HB) 3.693 1.705 1.705 weight 1.000 ! spec=Noesy-2013, no=638, id=636, vol=2.420310e+05
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   52 and name  HB1) 3.364 1.415 1.415 weight 1.000 ! spec=Noesy-2013, no=639, id=637, vol=4.098290e+05
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid    3 and name  HB2) 3.013 1.135 1.135 weight 1.000 ! spec=Noesy-2013, no=640, id=638, vol=8.611360e+05
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   67 and name  HG1) 3.169 1.255 1.255 weight 1.000 ! spec=Noesy-2013, no=642, id=640, vol=6.301810e+05
assign (segid "   A" and resid   33 and name  HH2) (segid "   A" and resid    3 and name  HB2) 2.970 1.103 1.103 weight 1.000 ! spec=Noesy-2013, no=644, id=642, vol=9.094000e+05
assign (segid "   A" and resid   25 and name  HE1) (segid "   A" and resid   41 and name  HB1) 2.718 0.923 0.923 weight 1.000 ! spec=Noesy-2013, no=645, id=643, vol=1.498876e+06
    or (segid "   A" and resid   25 and name  HE2) (segid "   A" and resid   41 and name  HB1)
assign (segid "   A" and resid   50 and name HE21) (segid "   A" and resid   50 and name  HB1) 3.312 1.371 1.371 weight 1.000 ! spec=Noesy-2013, no=646, id=644, vol=4.068390e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.866 2.866 3.134 weight 1.000 ! spec=Noesy-2013, no=648, id=646, vol=9.561590e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name   HB) 2.503 0.783 0.783 weight 1.000 ! spec=Noesy-2013, no=649, id=647, vol=2.256930e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.611 1.630 1.630 weight 1.000 ! spec=Noesy-2013, no=650, id=648, vol=2.833230e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.204 1.283 1.283 weight 1.000 ! spec=Noesy-2013, no=652, id=650, vol=5.702200e+05
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name   HB) 2.209 0.610 0.610 weight 1.000 ! spec=Noesy-2013, no=653, id=651, vol=5.296132e+06
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    3 and name  HB2) 3.461 1.498 1.498 weight 1.000 ! spec=Noesy-2013, no=654, id=652, vol=3.914510e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HB) 2.287 0.654 0.654 weight 1.000 ! spec=Noesy-2013, no=656, id=654, vol=4.358414e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name  HB1) 3.300 1.362 1.362 weight 1.000 ! spec=Noesy-2013, no=660, id=658, vol=4.908170e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   58 and name   HA) 3.781 1.787 1.787 weight 1.000 ! spec=Noesy-2013, no=661, id=659, vol=2.083750e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HG2) 3.378 1.427 1.427 weight 1.000 ! spec=Noesy-2013, no=662, id=660, vol=3.948290e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HG1) 3.491 1.523 1.523 weight 1.000 ! spec=Noesy-2013, no=663, id=661, vol=3.460390e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name  HB2) 3.005 1.128 1.128 weight 1.000 ! spec=Noesy-2013, no=664, id=662, vol=7.997680e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HB) 2.510 2.510 3.490 weight 1.000 ! spec=Noesy-2013, no=665, id=663, vol=2.359388e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HB2) 2.860 1.022 1.022 weight 1.000 ! spec=Noesy-2013, no=666, id=664, vol=1.150016e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HB1) 2.978 2.978 3.022 weight 1.000 ! spec=Noesy-2013, no=667, id=665, vol=9.349820e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name  HB1) 2.997 1.123 1.123 weight 1.000 ! spec=Noesy-2013, no=668, id=666, vol=9.180600e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   36 and name  HB1) 3.502 1.533 1.533 weight 1.000 ! spec=Noesy-2013, no=670, id=668, vol=3.157940e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG2) 3.228 1.303 1.303 weight 1.000 ! spec=Noesy-2013, no=671, id=669, vol=5.384350e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name  HB1) 2.946 1.085 1.085 weight 1.000 ! spec=Noesy-2013, no=673, id=671, vol=9.567250e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG1) 3.213 3.213 2.787 weight 1.000 ! spec=Noesy-2013, no=674, id=672, vol=5.501690e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HG1) 3.482 1.515 1.515 weight 1.000 ! spec=Noesy-2013, no=675, id=673, vol=3.346730e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name  HB2) 3.178 1.263 1.263 weight 1.000 ! spec=Noesy-2013, no=676, id=674, vol=5.806510e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.918 1.065 1.065 weight 1.000 ! spec=Noesy-2013, no=678, id=676, vol=1.032964e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name  HB2) 3.348 1.401 1.401 weight 1.000 ! spec=Noesy-2013, no=679, id=677, vol=4.052950e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.687 0.903 0.903 weight 1.000 ! spec=Noesy-2013, no=681, id=679, vol=1.426301e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1) 2.961 1.096 1.096 weight 1.000 ! spec=Noesy-2013, no=684, id=682, vol=9.244120e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HB1) 2.354 0.693 0.693 weight 1.000 ! spec=Noesy-2013, no=685, id=683, vol=3.497885e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG11) 2.642 0.872 0.872 weight 1.000 ! spec=Noesy-2013, no=686, id=684, vol=1.618366e+06
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    2 and name  HB1) 3.596 1.617 1.617 weight 1.000 ! spec=Noesy-2013, no=687, id=685, vol=2.639890e+05
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name  HB1) 3.106 1.206 1.206 weight 1.000 ! spec=Noesy-2013, no=688, id=686, vol=6.499010e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG1) 3.731 1.740 1.740 weight 1.000 ! spec=Noesy-2013, no=690, id=688, vol=2.098870e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG2) 3.607 1.626 1.626 weight 1.000 ! spec=Noesy-2013, no=691, id=689, vol=2.509550e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HG2) 3.243 1.315 1.315 weight 1.000 ! spec=Noesy-2013, no=692, id=690, vol=5.494170e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name   HB) 2.667 0.889 0.889 weight 1.000 ! spec=Noesy-2013, no=694, id=692, vol=1.723847e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name  HB2) 3.318 1.376 1.376 weight 1.000 ! spec=Noesy-2013, no=695, id=693, vol=4.728310e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name  HB1) 3.218 1.294 1.294 weight 1.000 ! spec=Noesy-2013, no=696, id=694, vol=5.704300e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB2) 3.148 1.239 1.239 weight 1.000 ! spec=Noesy-2013, no=697, id=695, vol=6.466770e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HG2) 3.445 3.445 2.555 weight 1.000 ! spec=Noesy-2013, no=698, id=696, vol=3.611380e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   24 and name  HG2) 3.795 1.800 1.800 weight 1.000 ! spec=Noesy-2013, no=699, id=697, vol=1.833930e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HG1) 3.307 1.367 1.367 weight 1.000 ! spec=Noesy-2013, no=700, id=698, vol=4.963810e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name   HB) 3.914 1.915 1.915 weight 1.000 ! spec=Noesy-2013, no=701, id=699, vol=1.709470e+05
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name  HG2) 3.638 1.654 1.654 weight 1.000 ! spec=Noesy-2013, no=702, id=700, vol=2.775330e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB1) 2.916 1.063 1.063 weight 1.000 ! spec=Noesy-2013, no=703, id=701, vol=1.028126e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name   HB) 3.560 1.585 1.585 weight 1.000 ! spec=Noesy-2013, no=704, id=702, vol=2.809720e+05
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name  HB1) 2.652 0.879 0.879 weight 1.000 ! spec=Noesy-2013, no=707, id=705, vol=1.752892e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB1) 2.965 1.099 1.099 weight 1.000 ! spec=Noesy-2013, no=708, id=706, vol=9.208000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HG2) 3.431 1.472 1.472 weight 1.000 ! spec=Noesy-2013, no=709, id=707, vol=3.523500e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.652 0.879 0.879 weight 1.000 ! spec=Noesy-2013, no=710, id=708, vol=1.597748e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HG2) 3.072 1.180 1.180 weight 1.000 ! spec=Noesy-2013, no=711, id=709, vol=6.900700e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HB2) 3.487 1.520 1.520 weight 1.000 ! spec=Noesy-2013, no=712, id=710, vol=3.532250e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name  HG2) 3.059 1.170 1.170 weight 1.000 ! spec=Noesy-2013, no=713, id=711, vol=7.541670e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   58 and name   HA) 3.334 1.389 1.389 weight 1.000 ! spec=Noesy-2013, no=714, id=712, vol=4.735380e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   15 and name  HB1) 3.754 1.761 1.761 weight 1.000 ! spec=Noesy-2013, no=715, id=713, vol=1.990610e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.048 1.161 1.161 weight 1.000 ! spec=Noesy-2013, no=716, id=714, vol=8.066470e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.996 1.122 1.122 weight 1.000 ! spec=Noesy-2013, no=718, id=716, vol=8.461870e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.489 1.521 1.521 weight 1.000 ! spec=Noesy-2013, no=720, id=718, vol=3.048440e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB1) 3.375 1.424 1.424 weight 1.000 ! spec=Noesy-2013, no=721, id=719, vol=3.893180e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.842 1.009 1.009 weight 1.000 ! spec=Noesy-2013, no=723, id=721, vol=1.193208e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.767 1.774 1.774 weight 1.000 ! spec=Noesy-2013, no=724, id=722, vol=1.998240e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HG2) 3.500 3.500 2.500 weight 1.000 ! spec=Noesy-2013, no=725, id=723, vol=3.145700e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1) 3.781 1.787 1.787 weight 1.000 ! spec=Noesy-2013, no=726, id=724, vol=2.161250e+05
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   66 and name  HG1) 3.831 1.834 1.834 weight 1.000 ! spec=Noesy-2013, no=727, id=725, vol=1.743810e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB2) 3.556 1.581 1.581 weight 1.000 ! spec=Noesy-2013, no=728, id=726, vol=3.088240e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name   HB) 3.025 1.144 1.144 weight 1.000 ! spec=Noesy-2013, no=729, id=727, vol=8.053110e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HG1) 3.540 1.567 1.567 weight 1.000 ! spec=Noesy-2013, no=730, id=728, vol=2.792390e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name  HB2) 3.854 1.857 1.857 weight 1.000 ! spec=Noesy-2013, no=731, id=729, vol=1.675920e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HB) 2.943 1.083 1.083 weight 1.000 ! spec=Noesy-2013, no=732, id=730, vol=9.445410e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   36 and name  HB1) 2.966 1.099 1.099 weight 1.000 ! spec=Noesy-2013, no=733, id=731, vol=9.028900e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.603 0.847 0.847 weight 1.000 ! spec=Noesy-2013, no=735, id=733, vol=1.951797e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HB) 2.580 0.832 0.832 weight 1.000 ! spec=Noesy-2013, no=737, id=735, vol=2.042106e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name  HB1) 2.965 1.099 1.099 weight 1.000 ! spec=Noesy-2013, no=739, id=737, vol=9.129600e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HB1) 2.443 0.746 0.746 weight 1.000 ! spec=Noesy-2013, no=740, id=738, vol=2.769858e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HB1) 2.461 0.757 0.757 weight 1.000 ! spec=Noesy-2013, no=741, id=739, vol=2.665966e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HB2) 2.626 0.862 0.862 weight 1.000 ! spec=Noesy-2013, no=742, id=740, vol=1.802422e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.594 0.841 0.841 weight 1.000 ! spec=Noesy-2013, no=743, id=741, vol=1.945711e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HB) 2.356 0.694 0.694 weight 1.000 ! spec=Noesy-2013, no=744, id=742, vol=3.338149e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   67 and name  HB2) 2.545 0.810 0.810 weight 1.000 ! spec=Noesy-2013, no=746, id=744, vol=2.188485e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HB1) 2.543 0.808 0.808 weight 1.000 ! spec=Noesy-2013, no=748, id=746, vol=2.280340e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name  HB1) 2.519 0.793 0.793 weight 1.000 ! spec=Noesy-2013, no=749, id=747, vol=2.247539e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2) 2.871 1.031 1.031 weight 1.000 ! spec=Noesy-2013, no=750, id=748, vol=1.068582e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.570 2.570 3.430 weight 1.000 ! spec=Noesy-2013, no=753, id=751, vol=1.984439e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1) 2.657 0.883 0.883 weight 1.000 ! spec=Noesy-2013, no=754, id=752, vol=1.702583e+06
assign (segid "   A" and resid   12 and name  HE1) (segid "   A" and resid    7 and name  HG2) 3.542 1.568 1.568 weight 1.000 ! spec=Noesy-2013, no=755, id=753, vol=3.172390e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.199 1.279 1.279 weight 1.000 ! spec=Noesy-2013, no=757, id=755, vol=5.864110e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.368 0.701 0.701 weight 1.000 ! spec=Noesy-2013, no=759, id=757, vol=3.358606e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   80 and name  HB2) 3.622 1.640 1.640 weight 1.000 ! spec=Noesy-2013, no=761, id=759, vol=2.734830e+05
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name  HB2) 2.625 0.862 0.862 weight 1.000 ! spec=Noesy-2013, no=764, id=762, vol=1.817941e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name  HB1) 2.623 0.860 0.860 weight 1.000 ! spec=Noesy-2013, no=765, id=763, vol=1.874735e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    1 and name  HB1) 3.051 1.164 1.164 weight 1.000 ! spec=Noesy-2013, no=767, id=765, vol=8.029010e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HG1) 3.053 1.165 1.165 weight 1.000 ! spec=Noesy-2013, no=769, id=767, vol=6.892600e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG1) 2.676 0.895 0.895 weight 1.000 ! spec=Noesy-2013, no=770, id=768, vol=1.721941e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG2) 2.828 0.999 0.999 weight 1.000 ! spec=Noesy-2013, no=771, id=769, vol=1.143327e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB1) 2.961 1.096 1.096 weight 1.000 ! spec=Noesy-2013, no=772, id=770, vol=8.955940e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name HG21) 3.742 1.750 1.750 weight 1.000 ! spec=Noesy-2013, no=774, id=772, vol=2.441700e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name HG23)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    5 and name HG21) 3.110 1.209 1.209 weight 1.000 ! spec=Noesy-2013, no=775, id=773, vol=6.151630e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    5 and name HG23)
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name HG11) 2.863 1.024 1.024 weight 1.000 ! spec=Noesy-2013, no=777, id=775, vol=1.176138e+06
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   48 and name HG21) 3.563 1.587 1.587 weight 1.000 ! spec=Noesy-2013, no=780, id=778, vol=2.971790e+05
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   48 and name HG23)
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   48 and name HG22)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.472 1.507 1.507 weight 1.000 ! spec=Noesy-2013, no=781, id=779, vol=3.295340e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name  HB3) 2.997 1.123 1.123 weight 1.000 ! spec=Noesy-2013, no=782, id=780, vol=8.135040e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB3) 1.782 0.397 0.397 weight 1.000 ! spec=Noesy-2013, no=784, id=782, vol=1.701401e+07
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   33 and name  HZ2) (segid "   A" and resid    2 and name  HG1) 3.287 1.350 1.350 weight 1.000 ! spec=Noesy-2013, no=785, id=783, vol=5.145120e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG21) 3.272 1.338 1.338 weight 1.000 ! spec=Noesy-2013, no=787, id=785, vol=4.951270e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name HG23)
assign (segid "   A" and resid   75 and name   HE) (segid "   A" and resid   74 and name  HB1) 3.343 1.397 1.397 weight 1.000 ! spec=Noesy-2013, no=788, id=786, vol=4.574090e+05
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   72 and name  HB2) 3.358 1.410 1.410 weight 1.000 ! spec=Noesy-2013, no=789, id=787, vol=4.629790e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name  HB2) 2.451 0.751 0.751 weight 1.000 ! spec=Noesy-2013, no=792, id=790, vol=2.830102e+06
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    7 and name  HG2) 3.226 1.301 1.301 weight 1.000 ! spec=Noesy-2013, no=794, id=792, vol=5.502830e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name  HG2)
assign (segid "   A" and resid   11 and name  HD2) (segid "   A" and resid    7 and name  HG1) 2.920 1.066 1.066 weight 1.000 ! spec=Noesy-2013, no=795, id=793, vol=9.615890e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name  HG1)
assign (segid "   A" and resid   33 and name  HZ3) (segid "   A" and resid    3 and name  HB1) 2.952 1.089 1.089 weight 1.000 ! spec=Noesy-2013, no=796, id=794, vol=8.946920e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name  HG2) 2.810 0.987 0.987 weight 1.000 ! spec=Noesy-2013, no=797, id=795, vol=1.289733e+06
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid    2 and name  HB1) 3.240 1.312 1.312 weight 1.000 ! spec=Noesy-2013, no=798, id=796, vol=4.498450e+05
assign (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   34 and name  HG2) 3.653 1.668 1.668 weight 1.000 ! spec=Noesy-2013, no=799, id=797, vol=2.408700e+05
assign (segid "   A" and resid   62 and name   HE) (segid "   A" and resid   62 and name  HG1) 3.350 1.403 1.403 weight 1.000 ! spec=Noesy-2013, no=800, id=798, vol=4.162160e+05
assign (segid "   A" and resid   11 and name  HE2) (segid "   A" and resid    7 and name  HG1) 2.898 1.050 1.050 weight 1.000 ! spec=Noesy-2013, no=801, id=799, vol=1.018350e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name  HG1)
assign (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   48 and name HG21) 3.503 1.534 1.534 weight 1.000 ! spec=Noesy-2013, no=805, id=803, vol=3.050140e+05
    or (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   48 and name HG23)
    or (segid "   A" and resid   50 and name HE22) (segid "   A" and resid   48 and name HG22)
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   26 and name  HB1) 3.244 1.316 1.316 weight 1.000 ! spec=Noesy-2013, no=806, id=804, vol=4.991340e+05
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   26 and name  HB1) 3.598 1.618 1.618 weight 1.000 ! spec=Noesy-2013, no=807, id=805, vol=2.666790e+05
    or (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   26 and name  HB1) 3.013 1.135 1.135 weight 1.000 ! spec=Noesy-2013, no=808, id=806, vol=7.562850e+05
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   48 and name HG21) 3.473 1.508 1.508 weight 1.000 ! spec=Noesy-2013, no=810, id=808, vol=3.375160e+05
    or (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   48 and name HG23)
    or (segid "   A" and resid   67 and name HE22) (segid "   A" and resid   48 and name HG22)
assign (segid "   A" and resid   62 and name   HE) (segid "   A" and resid   62 and name  HG2) 3.379 1.427 1.427 weight 1.000 ! spec=Noesy-2013, no=812, id=810, vol=3.914910e+05
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid    2 and name  HG1) 2.876 1.034 1.034 weight 1.000 ! spec=Noesy-2013, no=813, id=811, vol=9.131520e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name  HG1) 2.797 0.978 0.978 weight 1.000 ! spec=Noesy-2013, no=814, id=812, vol=1.285109e+06
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   42 and name HG23) 3.286 1.350 1.350 weight 1.000 ! spec=Noesy-2013, no=815, id=813, vol=4.586750e+05
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   42 and name HG23)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   42 and name HG23) 3.715 1.725 1.725 weight 1.000 ! spec=Noesy-2013, no=816, id=814, vol=2.155430e+05
    or (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   48 and name HG21) 3.637 1.653 1.653 weight 1.000 ! spec=Noesy-2013, no=817, id=815, vol=2.428460e+05
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   48 and name HG23)
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   48 and name HG22)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   48 and name HG21)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   48 and name HG23)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   48 and name HG22)
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   42 and name HG23) 3.345 1.399 1.399 weight 1.000 ! spec=Noesy-2013, no=819, id=817, vol=3.897270e+05
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   42 and name HG23)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   42 and name HG23) 3.231 1.305 1.305 weight 1.000 ! spec=Noesy-2013, no=820, id=818, vol=5.124360e+05
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   42 and name HG23)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   42 and name HG23) 3.689 1.701 1.701 weight 1.000 ! spec=Noesy-2013, no=821, id=819, vol=2.159250e+05
    or (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   42 and name HG23)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   43 and name HG22) 3.767 1.774 1.774 weight 1.000 ! spec=Noesy-2013, no=822, id=820, vol=1.752230e+05
    or (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   46 and name  HE2) (segid "   A" and resid   43 and name HG23)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   43 and name HG22)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   46 and name  HE1) (segid "   A" and resid   43 and name HG23)
assign (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   30 and name HG21) 3.688 1.700 1.700 weight 1.000 ! spec=Noesy-2013, no=823, id=821, vol=2.144170e+05
    or (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   30 and name HG23)
    or (segid "   A" and resid   34 and name   HE) (segid "   A" and resid   30 and name HG22)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HG12) 3.366 1.416 1.416 weight 1.000 ! spec=Noesy-2013, no=824, id=822, vol=4.130810e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HG11) 3.338 1.393 1.393 weight 1.000 ! spec=Noesy-2013, no=825, id=823, vol=4.185380e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   61 and name HG11) 3.570 1.594 1.594 weight 1.000 ! spec=Noesy-2013, no=826, id=824, vol=3.094520e+05
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HG12) 2.863 1.025 1.025 weight 1.000 ! spec=Noesy-2013, no=828, id=826, vol=1.135262e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HG11) 2.620 0.858 0.858 weight 1.000 ! spec=Noesy-2013, no=829, id=827, vol=1.850096e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG23) 2.367 0.700 0.700 weight 1.000 ! spec=Noesy-2013, no=830, id=828, vol=3.421996e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name HG22) 2.770 0.959 0.959 weight 1.000 ! spec=Noesy-2013, no=832, id=830, vol=1.327255e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name HG23)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name HG12) 3.787 1.792 1.792 weight 1.000 ! spec=Noesy-2013, no=834, id=832, vol=1.995710e+05
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   73 and name   HG) 3.795 1.800 1.800 weight 1.000 ! spec=Noesy-2013, no=835, id=833, vol=1.857550e+05
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name HG23) 2.345 0.687 0.687 weight 1.000 ! spec=Noesy-2013, no=836, id=834, vol=3.464268e+06
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name HG21)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name HD13) 3.297 1.359 1.359 weight 1.000 ! spec=Noesy-2013, no=837, id=835, vol=4.244460e+05
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name HD13)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   16 and name HD12)
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   40 and name HG12) 3.048 1.161 1.161 weight 1.000 ! spec=Noesy-2013, no=838, id=836, vol=7.506160e+05
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   40 and name HG11)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   40 and name HG12)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   40 and name HG12) 3.442 1.481 1.481 weight 1.000 ! spec=Noesy-2013, no=839, id=837, vol=3.669060e+05
    or (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   28 and name   HZ) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   68 and name HD22) 3.651 1.666 1.666 weight 1.000 ! spec=Noesy-2013, no=840, id=838, vol=2.341750e+05
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   28 and name  HE2) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   28 and name  HE1) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   40 and name HG12) 2.467 0.761 0.761 weight 1.000 ! spec=Noesy-2013, no=841, id=839, vol=2.657722e+06
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   28 and name  HD1) (segid "   A" and resid   40 and name HG11)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   40 and name HG12)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   40 and name HG12) 2.633 2.633 3.367 weight 1.000 ! spec=Noesy-2013, no=842, id=840, vol=1.808074e+06
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   40 and name HG11)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   40 and name HG12)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   61 and name HD13) 3.579 3.579 2.421 weight 1.000 ! spec=Noesy-2013, no=843, id=841, vol=2.996950e+05
    or (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   61 and name HD11)
    or (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   61 and name HD12)
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name  HB1) 3.376 1.424 1.424 weight 1.000 ! spec=Noesy-2013, no=845, id=843, vol=4.354770e+05
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name   HG) 3.295 1.357 1.357 weight 1.000 ! spec=Noesy-2013, no=846, id=844, vol=4.952990e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HG22) 3.582 1.604 1.604 weight 1.000 ! spec=Noesy-2013, no=847, id=845, vol=2.541130e+05
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HG21)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HG23)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HD13) 3.129 1.224 1.224 weight 1.000 ! spec=Noesy-2013, no=848, id=846, vol=6.011270e+05
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HD11)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   61 and name HD12)
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name HD13) 3.590 1.611 1.611 weight 1.000 ! spec=Noesy-2013, no=849, id=847, vol=2.803380e+05
    or (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name HD12)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name HD13) 3.299 1.360 1.360 weight 1.000 ! spec=Noesy-2013, no=850, id=848, vol=4.081720e+05
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name HD12)
assign (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   40 and name HG23) 3.918 1.919 1.919 weight 1.000 ! spec=Noesy-2013, no=851, id=849, vol=1.571880e+05
    or (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   25 and name   HZ) (segid "   A" and resid   40 and name HG22)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name  HB1) 2.639 0.871 0.871 weight 1.000 ! spec=Noesy-2013, no=852, id=850, vol=1.663105e+06
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name   HG) 3.519 1.547 1.547 weight 1.000 ! spec=Noesy-2013, no=854, id=852, vol=2.902600e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name HG13) 3.699 1.710 1.710 weight 1.000 ! spec=Noesy-2013, no=855, id=853, vol=2.340430e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name HG11)
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name HG12)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG12) 2.965 1.099 1.099 weight 1.000 ! spec=Noesy-2013, no=856, id=854, vol=8.218370e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   40 and name HG23) 3.625 1.643 1.643 weight 1.000 ! spec=Noesy-2013, no=857, id=855, vol=2.677640e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   40 and name HG22)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2) 3.411 1.454 1.454 weight 1.000 ! spec=Noesy-2013, no=858, id=856, vol=3.910230e+05
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name  HB1) 3.615 1.634 1.634 weight 1.000 ! spec=Noesy-2013, no=859, id=857, vol=2.514710e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name HG23) 2.692 0.906 0.906 weight 1.000 ! spec=Noesy-2013, no=860, id=858, vol=1.394924e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name HG22)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HD13) 2.602 0.847 0.847 weight 1.000 ! spec=Noesy-2013, no=861, id=859, vol=1.743118e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HD12)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   61 and name HD13) 3.652 1.667 1.667 weight 1.000 ! spec=Noesy-2013, no=862, id=860, vol=2.244080e+05
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   61 and name HD11)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   61 and name HD12)
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name HD13) 3.408 1.452 1.452 weight 1.000 ! spec=Noesy-2013, no=863, id=861, vol=3.705120e+05
    or (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name HD12)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HD13) 2.965 1.099 1.099 weight 1.000 ! spec=Noesy-2013, no=864, id=862, vol=8.608590e+05
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HD11)
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HD12)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HG22) 2.776 0.963 0.963 weight 1.000 ! spec=Noesy-2013, no=865, id=863, vol=1.273855e+06
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HG21)
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name HG23)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HG23) 2.372 0.703 0.703 weight 1.000 ! spec=Noesy-2013, no=867, id=865, vol=3.515897e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HG22)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   16 and name HD13) 3.539 1.566 1.566 weight 1.000 ! spec=Noesy-2013, no=868, id=866, vol=2.452720e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   16 and name HD12)
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name HD23) 3.653 1.668 1.668 weight 1.000 ! spec=Noesy-2013, no=869, id=867, vol=2.585230e+05
    or (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name HD21)
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name HG12) 2.907 1.056 1.056 weight 1.000 ! spec=Noesy-2013, no=870, id=868, vol=1.021161e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name HG23) 2.978 1.109 1.109 weight 1.000 ! spec=Noesy-2013, no=872, id=870, vol=8.920600e+05
    or (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name HG22)
    or (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name HG21)
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name HD22) 3.305 1.365 1.365 weight 1.000 ! spec=Noesy-2013, no=873, id=871, vol=4.584380e+05
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name HD12) 3.565 1.589 1.589 weight 1.000 ! spec=Noesy-2013, no=874, id=872, vol=3.247890e+05
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name HD11)
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name HD13)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   73 and name  HB1) 3.698 1.710 1.710 weight 1.000 ! spec=Noesy-2013, no=875, id=873, vol=2.393880e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG13) 2.759 0.951 0.951 weight 1.000 ! spec=Noesy-2013, no=876, id=874, vol=1.332137e+06
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG11)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG12)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG23) 2.927 1.071 1.071 weight 1.000 ! spec=Noesy-2013, no=877, id=875, vol=9.826800e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name HG21)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HG21) 2.524 0.796 0.796 weight 1.000 ! spec=Noesy-2013, no=878, id=876, vol=2.293240e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HG23)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HG22)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name HG13) 3.140 1.232 1.232 weight 1.000 ! spec=Noesy-2013, no=879, id=877, vol=5.686110e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name HG11)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name HG12)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    9 and name HG13) 3.310 1.370 1.370 weight 1.000 ! spec=Noesy-2013, no=880, id=878, vol=4.164690e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    9 and name HG11)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    9 and name HG12)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    1 and name HD13) 2.913 1.061 1.061 weight 1.000 ! spec=Noesy-2013, no=881, id=879, vol=9.150690e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    1 and name HD12)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    1 and name HD11)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG23) 2.436 0.742 0.742 weight 1.000 ! spec=Noesy-2013, no=882, id=880, vol=2.820196e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB2) 2.847 1.013 1.013 weight 1.000 ! spec=Noesy-2013, no=884, id=882, vol=1.217708e+06
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   24 and name  HB1) 3.310 1.369 1.369 weight 1.000 ! spec=Noesy-2013, no=885, id=883, vol=4.579340e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    5 and name HG21) 3.256 1.325 1.325 weight 1.000 ! spec=Noesy-2013, no=886, id=884, vol=4.713530e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    5 and name HG23)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HG21) 2.582 0.833 0.833 weight 1.000 ! spec=Noesy-2013, no=887, id=885, vol=1.918748e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name HG23)
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name HG11) 3.359 1.410 1.410 weight 1.000 ! spec=Noesy-2013, no=889, id=887, vol=4.091090e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   77 and name HG22) 3.470 1.505 1.505 weight 1.000 ! spec=Noesy-2013, no=890, id=888, vol=3.500220e+05
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name HG22) 2.441 0.745 0.745 weight 1.000 ! spec=Noesy-2013, no=891, id=889, vol=2.690109e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name HG21)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name HG23)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name HG23) 3.314 1.372 1.372 weight 1.000 ! spec=Noesy-2013, no=892, id=890, vol=3.710150e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   37 and name HG23) 2.992 1.119 1.119 weight 1.000 ! spec=Noesy-2013, no=893, id=891, vol=7.584640e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HG2) 2.882 1.038 1.038 weight 1.000 ! spec=Noesy-2013, no=894, id=892, vol=1.049058e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name  HB2) 2.339 0.684 0.684 weight 1.000 ! spec=Noesy-2013, no=896, id=894, vol=3.866627e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name  HB2) 2.920 1.066 1.066 weight 1.000 ! spec=Noesy-2013, no=897, id=895, vol=9.364870e+05
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HG1) 3.180 1.264 1.264 weight 1.000 ! spec=Noesy-2013, no=898, id=896, vol=5.824690e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HG11) 2.924 1.069 1.069 weight 1.000 ! spec=Noesy-2013, no=899, id=897, vol=9.452550e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   27 and name  HB3) 2.809 0.986 0.986 weight 1.000 ! spec=Noesy-2013, no=900, id=898, vol=1.129169e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name HG21) 3.042 1.157 1.157 weight 1.000 ! spec=Noesy-2013, no=902, id=900, vol=7.858890e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name HG23)
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name HG22)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HG2) 2.942 2.942 3.058 weight 1.000 ! spec=Noesy-2013, no=904, id=902, vol=8.938200e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name   HG) 3.000 1.125 1.125 weight 1.000 ! spec=Noesy-2013, no=906, id=904, vol=8.548150e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.547 3.547 2.453 weight 1.000 ! spec=Noesy-2013, no=908, id=906, vol=2.847530e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.365 1.416 1.416 weight 1.000 ! spec=Noesy-2013, no=909, id=907, vol=4.121420e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HG1) 3.616 1.634 1.634 weight 1.000 ! spec=Noesy-2013, no=910, id=908, vol=2.891090e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG11) 2.724 0.928 0.928 weight 1.000 ! spec=Noesy-2013, no=911, id=909, vol=1.492015e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HG2) 3.472 1.507 1.507 weight 1.000 ! spec=Noesy-2013, no=914, id=912, vol=3.633700e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.047 1.160 1.160 weight 1.000 ! spec=Noesy-2013, no=915, id=913, vol=7.384910e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.261 0.639 0.639 weight 1.000 ! spec=Noesy-2013, no=916, id=914, vol=4.407724e+06
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB3) 2.376 2.376 3.624 weight 1.000 ! spec=Noesy-2013, no=917, id=915, vol=3.252888e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG22) 2.901 1.052 1.052 weight 1.000 ! spec=Noesy-2013, no=920, id=918, vol=1.006270e+06
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   77 and name HG22) 3.728 1.737 1.737 weight 1.000 ! spec=Noesy-2013, no=921, id=919, vol=2.181160e+05
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   77 and name HG22) 3.342 1.397 1.397 weight 1.000 ! spec=Noesy-2013, no=922, id=920, vol=4.458460e+05
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   37 and name HG23) 3.396 1.442 1.442 weight 1.000 ! spec=Noesy-2013, no=923, id=921, vol=3.886310e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG23) 2.869 1.029 1.029 weight 1.000 ! spec=Noesy-2013, no=924, id=922, vol=1.092765e+06
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name HG22) 2.485 0.772 0.772 weight 1.000 ! spec=Noesy-2013, no=925, id=923, vol=2.463435e+06
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   42 and name HG23) 2.932 1.075 1.075 weight 1.000 ! spec=Noesy-2013, no=926, id=924, vol=8.691570e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name HG23) 3.435 1.475 1.475 weight 1.000 ! spec=Noesy-2013, no=927, id=925, vol=3.431440e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   77 and name HG22) 3.478 1.512 1.512 weight 1.000 ! spec=Noesy-2013, no=928, id=926, vol=3.188890e+05
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   36 and name  HB2) 3.677 1.690 1.690 weight 1.000 ! spec=Noesy-2013, no=929, id=927, vol=2.682000e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   37 and name HG23) 2.677 0.896 0.896 weight 1.000 ! spec=Noesy-2013, no=930, id=928, vol=1.596230e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   30 and name HG21) 3.509 1.539 1.539 weight 1.000 ! spec=Noesy-2013, no=931, id=929, vol=3.224920e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   30 and name HG23)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   30 and name HG22)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB1) 3.310 1.369 1.369 weight 1.000 ! spec=Noesy-2013, no=932, id=930, vol=4.491180e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name HG23) 3.421 1.463 1.463 weight 1.000 ! spec=Noesy-2013, no=933, id=931, vol=3.863260e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG12) 2.554 0.815 0.815 weight 1.000 ! spec=Noesy-2013, no=934, id=932, vol=2.212152e+06
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   77 and name HG22) 3.641 1.657 1.657 weight 1.000 ! spec=Noesy-2013, no=935, id=933, vol=2.639110e+05
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   77 and name HG21)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   77 and name HG23)
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   75 and name  HB2) 3.796 1.801 1.801 weight 1.000 ! spec=Noesy-2013, no=936, id=934, vol=1.905970e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   58 and name   HA) 3.229 1.303 1.303 weight 1.000 ! spec=Noesy-2013, no=937, id=935, vol=4.944960e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid    2 and name  HG2) 3.105 1.205 1.205 weight 1.000 ! spec=Noesy-2013, no=939, id=937, vol=5.983460e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid    2 and name  HB1) 3.374 1.423 1.423 weight 1.000 ! spec=Noesy-2013, no=940, id=938, vol=3.736820e+05
assign (segid "   A" and resid   33 and name  HE1) (segid "   A" and resid    2 and name  HG1) 2.775 0.963 0.963 weight 1.000 ! spec=Noesy-2013, no=941, id=939, vol=1.160392e+06
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name   HG) 4.000 2.000 2.000 weight 1.000 ! spec=Noesy-2013, no=942, id=940, vol=1.319120e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name  HB1) 3.005 1.129 1.129 weight 1.000 ! spec=Noesy-2013, no=943, id=941, vol=7.772650e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name HD13) 3.312 1.371 1.371 weight 1.000 ! spec=Noesy-2013, no=944, id=942, vol=3.952550e+05
    or (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name HD12)
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name  HB2) 3.319 1.377 1.377 weight 1.000 ! spec=Noesy-2013, no=945, id=943, vol=4.298340e+05
assign (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name HD23) 2.731 0.932 0.932 weight 1.000 ! spec=Noesy-2013, no=946, id=944, vol=1.333175e+06
    or (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   76 and name  HE1) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG23) 2.511 0.788 0.788 weight 1.000 ! spec=Noesy-2013, no=949, id=947, vol=2.342712e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG21)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD13) 2.980 1.110 1.110 weight 1.000 ! spec=Noesy-2013, no=950, id=948, vol=8.174020e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD12)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name HG12) 2.492 0.776 0.776 weight 1.000 ! spec=Noesy-2013, no=951, id=949, vol=2.629621e+06
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   16 and name HG12) 3.652 1.667 1.667 weight 1.000 ! spec=Noesy-2013, no=953, id=951, vol=2.831300e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name HD21) 2.923 1.068 1.068 weight 1.000 ! spec=Noesy-2013, no=954, id=952, vol=1.002688e+06
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name HD23)
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name HD22)
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name HD13) 3.447 1.486 1.486 weight 1.000 ! spec=Noesy-2013, no=955, id=953, vol=3.277760e+05
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name HD11)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name HG23) 2.553 0.815 0.815 weight 1.000 ! spec=Noesy-2013, no=956, id=954, vol=2.165162e+06
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name HG22)
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name HD23) 3.070 1.178 1.178 weight 1.000 ! spec=Noesy-2013, no=957, id=955, vol=7.994480e+05
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name HD21)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   61 and name HG22) 3.349 1.402 1.402 weight 1.000 ! spec=Noesy-2013, no=960, id=958, vol=4.270390e+05
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   61 and name HG21)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   61 and name HG23)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HD13) 3.100 1.201 1.201 weight 1.000 ! spec=Noesy-2013, no=961, id=959, vol=6.165650e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HD12)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HG23) 2.674 0.894 0.894 weight 1.000 ! spec=Noesy-2013, no=962, id=960, vol=1.572550e+06
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HG21)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name HG12) 3.187 1.269 1.269 weight 1.000 ! spec=Noesy-2013, no=963, id=961, vol=5.671960e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   16 and name HD13) 3.461 1.497 1.497 weight 1.000 ! spec=Noesy-2013, no=964, id=962, vol=3.187610e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   16 and name HD12)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HG12) 2.422 2.422 3.578 weight 1.000 ! spec=Noesy-2013, no=965, id=963, vol=2.872677e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HG13)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HG11)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name HG12) 3.096 3.096 2.904 weight 1.000 ! spec=Noesy-2013, no=966, id=964, vol=7.104460e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   55 and name  HE1) (segid "   A" and resid   82 and name HD11) 3.585 1.606 1.606 weight 1.000 ! spec=Noesy-2013, no=968, id=966, vol=2.840960e+05
    or (segid "   A" and resid   55 and name  HE1) (segid "   A" and resid   82 and name HD13)
    or (segid "   A" and resid   55 and name  HE1) (segid "   A" and resid   82 and name HD12)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name HG23) 2.910 1.058 1.058 weight 1.000 ! spec=Noesy-2013, no=969, id=967, vol=9.388090e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name HG21)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG13) 2.148 0.577 0.577 weight 1.000 ! spec=Noesy-2013, no=970, id=968, vol=5.718570e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG11)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG12)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG23) 2.656 2.656 3.344 weight 1.000 ! spec=Noesy-2013, no=971, id=969, vol=1.669058e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name HG21)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name   HG) 3.248 1.319 1.319 weight 1.000 ! spec=Noesy-2013, no=972, id=970, vol=4.811880e+05
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name  HB1) 2.543 0.809 0.809 weight 1.000 ! spec=Noesy-2013, no=973, id=971, vol=2.116345e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name HG23) 2.850 1.015 1.015 weight 1.000 ! spec=Noesy-2013, no=974, id=972, vol=1.242734e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name HG22)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name HD13) 2.544 0.809 0.809 weight 1.000 ! spec=Noesy-2013, no=975, id=973, vol=1.962886e+06
    or (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name HD12)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name  HB2) 3.068 1.177 1.177 weight 1.000 ! spec=Noesy-2013, no=976, id=974, vol=6.916960e+05
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name HD23) 3.396 1.442 1.442 weight 1.000 ! spec=Noesy-2013, no=977, id=975, vol=3.768840e+05
    or (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name HD13) 2.840 2.840 3.160 weight 1.000 ! spec=Noesy-2013, no=978, id=976, vol=1.065276e+06
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name HD11)
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name HD12)
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name HG22) 2.279 0.649 0.649 weight 1.000 ! spec=Noesy-2013, no=979, id=977, vol=4.062888e+06
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name HG21)
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name HG23)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   40 and name HG12) 3.195 3.195 2.805 weight 1.000 ! spec=Noesy-2013, no=981, id=979, vol=5.600580e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   40 and name HG23) 3.291 1.354 1.354 weight 1.000 ! spec=Noesy-2013, no=982, id=980, vol=5.402350e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   40 and name HG22)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name HG23) 3.781 1.787 1.787 weight 1.000 ! spec=Noesy-2013, no=983, id=981, vol=2.029820e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name HG21)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name HG13) 3.683 1.696 1.696 weight 1.000 ! spec=Noesy-2013, no=984, id=982, vol=2.406000e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name HG11)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid    9 and name HG12)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   73 and name  HB2) 3.811 1.816 1.816 weight 1.000 ! spec=Noesy-2013, no=985, id=983, vol=1.924120e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   73 and name HD23) 4.094 2.095 2.095 weight 1.000 ! spec=Noesy-2013, no=986, id=984, vol=1.145680e+05
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name HD23) 2.576 0.830 0.830 weight 1.000 ! spec=Noesy-2013, no=987, id=985, vol=2.077921e+06
    or (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   76 and name  HZ2) (segid "   A" and resid   73 and name  HB2) 4.202 2.208 2.208 weight 1.000 ! spec=Noesy-2013, no=988, id=986, vol=1.232630e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name HG23) 3.837 1.841 1.841 weight 1.000 ! spec=Noesy-2013, no=989, id=987, vol=1.790140e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name HG22)
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name HG21)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name  HB2) 2.854 1.018 1.018 weight 1.000 ! spec=Noesy-2013, no=990, id=988, vol=1.034847e+06
assign (segid "   A" and resid   75 and name   HE) (segid "   A" and resid   73 and name  HB2) 3.522 1.551 1.551 weight 1.000 ! spec=Noesy-2013, no=991, id=989, vol=3.395820e+05
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name  HB2) 3.516 1.545 1.545 weight 1.000 ! spec=Noesy-2013, no=992, id=990, vol=3.445410e+05
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   73 and name  HB2) 3.954 1.954 1.954 weight 1.000 ! spec=Noesy-2013, no=993, id=991, vol=1.427160e+05
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   68 and name HD22) 4.109 2.110 2.110 weight 1.000 ! spec=Noesy-2013, no=994, id=992, vol=1.453270e+05
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   68 and name HD23)
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   82 and name HD11) 3.811 1.815 1.815 weight 1.000 ! spec=Noesy-2013, no=995, id=993, vol=2.016780e+05
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   82 and name HD13)
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   82 and name HD12)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name HD23) 3.027 1.145 1.145 weight 1.000 ! spec=Noesy-2013, no=996, id=994, vol=6.948900e+05
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name HD23) 3.051 1.164 1.164 weight 1.000 ! spec=Noesy-2013, no=997, id=995, vol=7.554170e+05
    or (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   73 and name   HN) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   73 and name HD23) 3.386 1.433 1.433 weight 1.000 ! spec=Noesy-2013, no=998, id=996, vol=3.848430e+05
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   73 and name HD23) 3.319 1.377 1.377 weight 1.000 ! spec=Noesy-2013, no=999, id=997, vol=4.201150e+05
    or (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   73 and name HD21)
    or (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   73 and name HD22)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   39 and name   HA) 4.194 2.198 2.198 weight 1.000 ! spec=Noesy-2013, no=1001, id=999, vol=1.236570e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   22 and name  HD1) 3.744 1.752 1.752 weight 1.000 ! spec=Noesy-2013, no=1002, id=1000, vol=2.015560e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   22 and name  HD2) 3.594 1.614 1.614 weight 1.000 ! spec=Noesy-2013, no=1003, id=1001, vol=2.648490e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   25 and name  HB2) 3.704 1.715 1.715 weight 1.000 ! spec=Noesy-2013, no=1004, id=1002, vol=2.319170e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   25 and name  HB1) 3.554 1.579 1.579 weight 1.000 ! spec=Noesy-2013, no=1006, id=1004, vol=2.799090e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   39 and name  HB2) 3.163 1.251 1.251 weight 1.000 ! spec=Noesy-2013, no=1007, id=1005, vol=6.070390e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   22 and name  HG2) 3.886 1.888 1.888 weight 1.000 ! spec=Noesy-2013, no=1008, id=1006, vol=1.556500e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   22 and name  HG1) 4.099 2.100 2.100 weight 1.000 ! spec=Noesy-2013, no=1009, id=1007, vol=1.312460e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name   HB) 3.095 1.197 1.197 weight 1.000 ! spec=Noesy-2013, no=1011, id=1009, vol=6.893050e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name   HB)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   39 and name  HB1) 3.117 1.214 1.214 weight 1.000 ! spec=Noesy-2013, no=1012, id=1010, vol=6.565280e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HG11) 3.738 1.747 1.747 weight 1.000 ! spec=Noesy-2013, no=1013, id=1011, vol=2.026620e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HG11)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HG12) 3.932 1.932 1.932 weight 1.000 ! spec=Noesy-2013, no=1014, id=1012, vol=1.447950e+05
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HG12)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HG23) 2.282 0.651 0.651 weight 1.000 ! spec=Noesy-2013, no=1015, id=1013, vol=4.075978e+06
    or (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HG21)
assign (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HD13) 2.992 1.119 1.119 weight 1.000 ! spec=Noesy-2013, no=1016, id=1014, vol=7.532760e+05
    or (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   14 and name  HE1) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HD13)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   14 and name  HE2) (segid "   A" and resid   16 and name HD12)
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   56 and name  HB1) 2.927 1.071 1.071 weight 1.000 ! spec=Noesy-2013, no=1017, id=1015, vol=1.018915e+06
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   56 and name  HB2) 2.711 0.919 0.919 weight 1.000 ! spec=Noesy-2013, no=1018, id=1016, vol=1.612300e+06
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   78 and name  HB1) 3.660 1.675 1.675 weight 1.000 ! spec=Noesy-2013, no=1019, id=1017, vol=2.562850e+05
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   76 and name  HB1) 3.972 1.972 1.972 weight 1.000 ! spec=Noesy-2013, no=1020, id=1018, vol=1.807880e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB2) 2.691 0.905 0.905 weight 1.000 ! spec=Noesy-2013, no=1021, id=1019, vol=1.649320e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB1) 2.571 0.826 0.826 weight 1.000 ! spec=Noesy-2013, no=1022, id=1020, vol=2.118739e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB2) 2.640 0.871 0.871 weight 1.000 ! spec=Noesy-2013, no=1023, id=1021, vol=1.778082e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   25 and name  HB1) 3.229 1.303 1.303 weight 1.000 ! spec=Noesy-2013, no=1024, id=1022, vol=5.362480e+05
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   79 and name  HB1) 3.844 1.847 1.847 weight 1.000 ! spec=Noesy-2013, no=1025, id=1023, vol=1.985410e+05
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name   HB) 3.705 3.705 2.295 weight 1.000 ! spec=Noesy-2013, no=1026, id=1024, vol=2.411270e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name   HB) 3.730 3.730 2.270 weight 1.000 ! spec=Noesy-2013, no=1027, id=1025, vol=2.132650e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name   HB) 3.362 1.413 1.413 weight 1.000 ! spec=Noesy-2013, no=1029, id=1027, vol=4.120040e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB1) 2.856 1.020 1.020 weight 1.000 ! spec=Noesy-2013, no=1030, id=1028, vol=1.106159e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   36 and name  HB1) 3.435 1.475 1.475 weight 1.000 ! spec=Noesy-2013, no=1031, id=1029, vol=3.567690e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG11) 3.669 1.683 1.683 weight 1.000 ! spec=Noesy-2013, no=1032, id=1030, vol=2.431650e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   36 and name  HB2) 3.460 3.460 2.540 weight 1.000 ! spec=Noesy-2013, no=1034, id=1032, vol=3.637410e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG12) 3.380 1.428 1.428 weight 1.000 ! spec=Noesy-2013, no=1035, id=1033, vol=4.079870e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name HG12) 3.090 1.193 1.193 weight 1.000 ! spec=Noesy-2013, no=1037, id=1035, vol=7.215850e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name HG13)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name HG11)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   37 and name HG23) 3.160 1.248 1.248 weight 1.000 ! spec=Noesy-2013, no=1038, id=1036, vol=5.933220e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   37 and name HG21)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   37 and name HG22)
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   79 and name   HA) 3.650 1.666 1.666 weight 1.000 ! spec=Noesy-2013, no=1039, id=1037, vol=2.684680e+05
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   30 and name   HA) 3.183 3.183 2.817 weight 1.000 ! spec=Noesy-2013, no=1040, id=1038, vol=5.400430e+05
assign (segid "   A" and resid   72 and name  HD2) (segid "   A" and resid   71 and name   HA) 2.412 0.727 0.727 weight 1.000 ! spec=Noesy-2013, no=1041, id=1039, vol=2.991999e+06
assign (segid "   A" and resid   72 and name  HD1) (segid "   A" and resid   71 and name   HA) 2.419 0.731 0.731 weight 1.000 ! spec=Noesy-2013, no=1042, id=1040, vol=3.080294e+06
assign (segid "   A" and resid   71 and name  HB2) (segid "   A" and resid   71 and name   HA) 2.991 1.118 1.118 weight 1.000 ! spec=Noesy-2013, no=1043, id=1041, vol=1.007400e+06
assign (segid "   A" and resid   56 and name  HB2) (segid "   A" and resid   71 and name   HA) 3.762 1.769 1.769 weight 1.000 ! spec=Noesy-2013, no=1044, id=1042, vol=2.411050e+05
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   79 and name   HA) 2.649 0.877 0.877 weight 1.000 ! spec=Noesy-2013, no=1045, id=1043, vol=1.798088e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   30 and name   HA) 3.371 1.421 1.421 weight 1.000 ! spec=Noesy-2013, no=1046, id=1044, vol=3.841240e+05
assign (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   71 and name   HA) 3.041 1.156 1.156 weight 1.000 ! spec=Noesy-2013, no=1047, id=1045, vol=7.769660e+05
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   79 and name   HA) 2.759 0.951 0.951 weight 1.000 ! spec=Noesy-2013, no=1048, id=1046, vol=1.471276e+06
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   30 and name   HA) 3.425 1.466 1.466 weight 1.000 ! spec=Noesy-2013, no=1049, id=1047, vol=4.165530e+05
assign (segid "   A" and resid   66 and name  HG1) (segid "   A" and resid   79 and name   HA) 4.159 2.162 2.162 weight 1.000 ! spec=Noesy-2013, no=1050, id=1048, vol=1.448550e+05
assign (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   79 and name   HA) 3.750 1.758 1.758 weight 1.000 ! spec=Noesy-2013, no=1052, id=1050, vol=2.385460e+05
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   79 and name   HA) 3.480 1.513 1.513 weight 1.000 ! spec=Noesy-2013, no=1054, id=1052, vol=3.396120e+05
assign (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   79 and name   HA) 3.468 1.503 1.503 weight 1.000 ! spec=Noesy-2013, no=1056, id=1054, vol=3.503560e+05
assign (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   79 and name   HA) 3.562 1.586 1.586 weight 1.000 ! spec=Noesy-2013, no=1057, id=1055, vol=2.897630e+05
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   79 and name   HA) 2.959 1.095 1.095 weight 1.000 ! spec=Noesy-2013, no=1058, id=1056, vol=8.163860e+05
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   79 and name   HA)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   79 and name   HA)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   30 and name   HA) 2.118 0.561 0.561 weight 1.000 ! spec=Noesy-2013, no=1059, id=1057, vol=6.025043e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   30 and name   HA) 2.890 1.044 1.044 weight 1.000 ! spec=Noesy-2013, no=1060, id=1058, vol=1.478906e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   71 and name   HA) 4.109 2.110 2.110 weight 1.000 ! spec=Noesy-2013, no=1062, id=1060, vol=1.630280e+05
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   71 and name   HA)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   71 and name   HA)
assign (segid "   A" and resid   13 and name  HA1) (segid "   A" and resid   13 and name  HA2) 2.211 0.611 0.611 weight 1.000 ! spec=Noesy-2013, no=1063, id=1061, vol=5.856932e+06
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   21 and name   HA) 2.306 0.665 0.665 weight 1.000 ! spec=Noesy-2013, no=1064, id=1062, vol=3.973933e+06
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   21 and name   HA) 2.298 0.660 0.660 weight 1.000 ! spec=Noesy-2013, no=1065, id=1063, vol=4.183087e+06
assign (segid "   A" and resid   13 and name  HA1) (segid "   A" and resid   40 and name   HA) 3.092 1.195 1.195 weight 1.000 ! spec=Noesy-2013, no=1066, id=1064, vol=7.791120e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HA) 2.649 0.877 0.877 weight 1.000 ! spec=Noesy-2013, no=1067, id=1065, vol=1.786814e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HA) 2.717 0.922 0.922 weight 1.000 ! spec=Noesy-2013, no=1069, id=1067, vol=1.745762e+06
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name   HB) 2.266 0.642 0.642 weight 1.000 ! spec=Noesy-2013, no=1070, id=1068, vol=4.670917e+06
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   25 and name   HA) 2.282 0.651 0.651 weight 1.000 ! spec=Noesy-2013, no=1071, id=1069, vol=4.645388e+06
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   63 and name   HA) 2.749 2.749 3.251 weight 1.000 ! spec=Noesy-2013, no=1072, id=1070, vol=1.438341e+06
assign (segid "   A" and resid   77 and name   HB) (segid "   A" and resid   76 and name   HA) 3.002 3.002 2.998 weight 1.000 ! spec=Noesy-2013, no=1073, id=1071, vol=8.861530e+05
assign (segid "   A" and resid   59 and name  HD2) (segid "   A" and resid   76 and name   HA) 3.146 1.237 1.237 weight 1.000 ! spec=Noesy-2013, no=1074, id=1072, vol=6.582960e+05
assign (segid "   A" and resid   63 and name  HB2) (segid "   A" and resid   63 and name   HA) 2.443 0.746 0.746 weight 1.000 ! spec=Noesy-2013, no=1075, id=1073, vol=3.011897e+06
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   76 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=Noesy-2013, no=1076, id=1074, vol=1.901835e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name   HA) 2.905 1.055 1.055 weight 1.000 ! spec=Noesy-2013, no=1077, id=1075, vol=1.131026e+06
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name   HA) 2.656 0.882 0.882 weight 1.000 ! spec=Noesy-2013, no=1078, id=1076, vol=1.830712e+06
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name   HA) 2.652 0.879 0.879 weight 1.000 ! spec=Noesy-2013, no=1080, id=1078, vol=1.801136e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HA) 2.701 0.912 0.912 weight 1.000 ! spec=Noesy-2013, no=1081, id=1079, vol=1.631417e+06
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=Noesy-2013, no=1084, id=1082, vol=2.741175e+06
assign (segid "   A" and resid   63 and name  HB1) (segid "   A" and resid   63 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=Noesy-2013, no=1085, id=1083, vol=1.096909e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   38 and name   HA) 3.385 1.432 1.432 weight 1.000 ! spec=Noesy-2013, no=1088, id=1086, vol=4.190040e+05
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name   HA) 2.794 0.976 0.976 weight 1.000 ! spec=Noesy-2013, no=1089, id=1087, vol=1.454335e+06
assign (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name   HA) 2.473 2.473 3.527 weight 1.000 ! spec=Noesy-2013, no=1090, id=1088, vol=2.681323e+06
assign (segid "   A" and resid   66 and name  HG2) (segid "   A" and resid   66 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=Noesy-2013, no=1091, id=1089, vol=9.001590e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA) 2.393 0.716 0.716 weight 1.000 ! spec=Noesy-2013, no=1092, id=1090, vol=3.309637e+06
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name   HA) 2.621 2.621 3.379 weight 1.000 ! spec=Noesy-2013, no=1093, id=1091, vol=1.935807e+06
assign (segid "   A" and resid   66 and name  HG1) (segid "   A" and resid   66 and name   HA) 2.839 1.008 1.008 weight 1.000 ! spec=Noesy-2013, no=1094, id=1092, vol=1.130491e+06
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   76 and name   HA) 2.861 1.023 1.023 weight 1.000 ! spec=Noesy-2013, no=1095, id=1093, vol=1.197953e+06
assign (segid "   A" and resid   67 and name  HG2) (segid "   A" and resid   67 and name   HA) 3.142 1.234 1.234 weight 1.000 ! spec=Noesy-2013, no=1096, id=1094, vol=6.590070e+05
assign (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   66 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=Noesy-2013, no=1097, id=1095, vol=1.907535e+06
assign (segid "   A" and resid   57 and name   HB) (segid "   A" and resid   57 and name   HA) 2.370 0.702 0.702 weight 1.000 ! spec=Noesy-2013, no=1098, id=1096, vol=3.477388e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 2.418 0.731 0.731 weight 1.000 ! spec=Noesy-2013, no=1099, id=1097, vol=3.003255e+06
assign (segid "   A" and resid   81 and name  HB2) (segid "   A" and resid   81 and name   HA) 2.682 0.899 0.899 weight 1.000 ! spec=Noesy-2013, no=1100, id=1098, vol=1.690774e+06
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name   HA) 2.384 0.711 0.711 weight 1.000 ! spec=Noesy-2013, no=1101, id=1099, vol=3.353611e+06
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   40 and name   HA) 2.646 0.875 0.875 weight 1.000 ! spec=Noesy-2013, no=1104, id=1102, vol=1.942472e+06
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name   HA) 2.603 2.603 3.397 weight 1.000 ! spec=Noesy-2013, no=1105, id=1103, vol=1.974780e+06
assign (segid "   A" and resid   16 and name HG11) (segid "   A" and resid   16 and name   HA) 3.057 1.168 1.168 weight 1.000 ! spec=Noesy-2013, no=1108, id=1106, vol=7.328760e+05
assign (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   67 and name   HA) 3.020 1.140 1.140 weight 1.000 ! spec=Noesy-2013, no=1109, id=1107, vol=8.373930e+05
assign (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   63 and name   HA) 3.288 1.351 1.351 weight 1.000 ! spec=Noesy-2013, no=1110, id=1108, vol=4.822910e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 1.901 0.452 0.452 weight 1.000 ! spec=Noesy-2013, no=1113, id=1111, vol=1.200460e+07
    or (segid "   A" and resid   26 and name  HB3) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   48 and name HG21) (segid "   A" and resid   48 and name   HB) 2.062 0.531 0.531 weight 1.000 ! spec=Noesy-2013, no=1114, id=1112, vol=7.306949e+06
    or (segid "   A" and resid   48 and name HG23) (segid "   A" and resid   48 and name   HB)
    or (segid "   A" and resid   48 and name HG22) (segid "   A" and resid   48 and name   HB)
assign (segid "   A" and resid   68 and name   HG) (segid "   A" and resid   47 and name   HA) 2.922 1.067 1.067 weight 1.000 ! spec=Noesy-2013, no=1116, id=1114, vol=8.943390e+05
assign (segid "   A" and resid   61 and name HG12) (segid "   A" and resid   57 and name   HA) 3.379 1.427 1.427 weight 1.000 ! spec=Noesy-2013, no=1117, id=1115, vol=4.121490e+05
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   66 and name   HA) 2.781 0.967 0.967 weight 1.000 ! spec=Noesy-2013, no=1118, id=1116, vol=1.301126e+06
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   66 and name   HA)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   66 and name   HA)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   25 and name   HA) 3.086 1.190 1.190 weight 1.000 ! spec=Noesy-2013, no=1119, id=1117, vol=6.885160e+05
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   38 and name   HA) 3.161 1.249 1.249 weight 1.000 ! spec=Noesy-2013, no=1121, id=1119, vol=5.646870e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   27 and name   HA) 3.230 1.304 1.304 weight 1.000 ! spec=Noesy-2013, no=1122, id=1120, vol=5.520090e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   16 and name   HA) 3.224 1.300 1.300 weight 1.000 ! spec=Noesy-2013, no=1123, id=1121, vol=5.517420e+05
assign (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   16 and name   HA) 2.143 0.574 0.574 weight 1.000 ! spec=Noesy-2013, no=1124, id=1122, vol=5.761083e+06
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   13 and name  HA2) 3.025 3.025 2.975 weight 1.000 ! spec=Noesy-2013, no=1125, id=1123, vol=7.783480e+05
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   13 and name  HA2)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   13 and name  HA2)
assign (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   13 and name  HA2) 2.634 0.867 0.867 weight 1.000 ! spec=Noesy-2013, no=1126, id=1124, vol=1.723771e+06
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   13 and name  HA2)
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   13 and name  HA2)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   40 and name   HA) 2.411 0.727 0.727 weight 1.000 ! spec=Noesy-2013, no=1128, id=1126, vol=2.918681e+06
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   40 and name   HA)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   40 and name   HA)
assign (segid "   A" and resid   82 and name HG23) (segid "   A" and resid   63 and name   HA) 2.998 1.123 1.123 weight 1.000 ! spec=Noesy-2013, no=1129, id=1127, vol=7.832590e+05
    or (segid "   A" and resid   82 and name HG22) (segid "   A" and resid   63 and name   HA)
    or (segid "   A" and resid   82 and name HG21) (segid "   A" and resid   63 and name   HA)
assign (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   21 and name   HA) 2.206 0.608 0.608 weight 1.000 ! spec=Noesy-2013, no=1130, id=1128, vol=5.334782e+06
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   57 and name   HA) 3.272 1.338 1.338 weight 1.000 ! spec=Noesy-2013, no=1131, id=1129, vol=4.826480e+05
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   57 and name   HA)
assign (segid "   A" and resid   73 and name HD23) (segid "   A" and resid   73 and name   HA) 3.246 1.317 1.317 weight 1.000 ! spec=Noesy-2013, no=1133, id=1131, vol=5.069480e+05
    or (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name   HA)
    or (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name   HA)
assign (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name   HA) 3.421 1.463 1.463 weight 1.000 ! spec=Noesy-2013, no=1134, id=1132, vol=3.853820e+05
assign (segid "   A" and resid   73 and name HD13) (segid "   A" and resid   73 and name   HA) 2.070 0.536 0.536 weight 1.000 ! spec=Noesy-2013, no=1135, id=1133, vol=7.182739e+06
    or (segid "   A" and resid   73 and name HD11) (segid "   A" and resid   73 and name   HA)
    or (segid "   A" and resid   73 and name HD12) (segid "   A" and resid   73 and name   HA)
assign (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   70 and name   HA) 2.177 0.592 0.592 weight 1.000 ! spec=Noesy-2013, no=1136, id=1134, vol=5.520975e+06
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   70 and name   HA)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   70 and name   HA)
assign (segid "   A" and resid   73 and name  HB1) (segid "   A" and resid   73 and name   HA) 2.748 0.944 0.944 weight 1.000 ! spec=Noesy-2013, no=1137, id=1135, vol=1.449880e+06
assign (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   12 and name   HA) 3.277 1.343 1.343 weight 1.000 ! spec=Noesy-2013, no=1139, id=1137, vol=4.437570e+05
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   12 and name   HA)
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   68 and name   HA) 2.770 0.959 0.959 weight 1.000 ! spec=Noesy-2013, no=1142, id=1140, vol=1.277004e+06
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   68 and name   HA)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   68 and name HD22) (segid "   A" and resid   68 and name   HA) 2.352 0.692 0.692 weight 1.000 ! spec=Noesy-2013, no=1143, id=1141, vol=3.326656e+06
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid   68 and name   HA)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   62 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=Noesy-2013, no=1144, id=1142, vol=9.382670e+05
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   62 and name   HA)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   62 and name   HA)
assign (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name   HA) 2.193 0.601 0.601 weight 1.000 ! spec=Noesy-2013, no=1145, id=1143, vol=4.966824e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   64 and name   HA) 2.086 0.544 0.544 weight 1.000 ! spec=Noesy-2013, no=1146, id=1144, vol=6.681145e+06
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   64 and name   HA)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   64 and name   HA)
assign (segid "   A" and resid    1 and name HD21) (segid "   A" and resid    1 and name   HA) 2.325 0.676 0.676 weight 1.000 ! spec=Noesy-2013, no=1147, id=1145, vol=3.761344e+06
    or (segid "   A" and resid    1 and name HD23) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    1 and name HD22) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name   HA) 2.158 0.582 0.582 weight 1.000 ! spec=Noesy-2013, no=1148, id=1146, vol=5.590044e+06
    or (segid "   A" and resid   20 and name HG13) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   20 and name HG11) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   64 and name   HA) 2.627 0.863 0.863 weight 1.000 ! spec=Noesy-2013, no=1149, id=1147, vol=1.520013e+06
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   64 and name   HA)
    or (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   64 and name   HA)
assign (segid "   A" and resid   73 and name   HG) (segid "   A" and resid   73 and name   HA) 2.908 1.057 1.057 weight 1.000 ! spec=Noesy-2013, no=1150, id=1148, vol=1.042625e+06
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   17 and name   HA) 2.997 2.997 3.003 weight 1.000 ! spec=Noesy-2013, no=1151, id=1149, vol=8.933560e+05
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   30 and name   HB) 2.101 0.552 0.552 weight 1.000 ! spec=Noesy-2013, no=1152, id=1150, vol=6.313181e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   30 and name   HB)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   30 and name   HB)
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   17 and name   HA) 2.995 1.121 1.121 weight 1.000 ! spec=Noesy-2013, no=1153, id=1151, vol=8.171810e+05
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   77 and name   HA) 2.205 0.608 0.608 weight 1.000 ! spec=Noesy-2013, no=1154, id=1152, vol=4.818714e+06
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   77 and name   HA)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   77 and name   HA)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   42 and name   HA) 1.951 0.476 0.476 weight 1.000 ! spec=Noesy-2013, no=1155, id=1153, vol=1.009193e+07
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   42 and name   HA)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   37 and name   HA) 2.229 0.621 0.621 weight 1.000 ! spec=Noesy-2013, no=1156, id=1154, vol=4.513273e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   37 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   37 and name   HA)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   29 and name  HA2) 2.827 0.999 0.999 weight 1.000 ! spec=Noesy-2013, no=1157, id=1155, vol=1.139587e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   29 and name  HA2)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   29 and name  HA2)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   42 and name   HB) 2.093 0.548 0.548 weight 1.000 ! spec=Noesy-2013, no=1158, id=1156, vol=6.629056e+06
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   42 and name   HB)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   19 and name   HA) 2.698 0.910 0.910 weight 1.000 ! spec=Noesy-2013, no=1159, id=1157, vol=1.681606e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   37 and name   HA) 2.570 0.826 0.826 weight 1.000 ! spec=Noesy-2013, no=1160, id=1158, vol=2.086533e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   37 and name   HA)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   37 and name   HA)
assign (segid "   A" and resid   48 and name HG21) (segid "   A" and resid   48 and name   HA) 2.200 0.605 0.605 weight 1.000 ! spec=Noesy-2013, no=1162, id=1160, vol=4.908851e+06
    or (segid "   A" and resid   48 and name HG23) (segid "   A" and resid   48 and name   HA)
    or (segid "   A" and resid   48 and name HG22) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid   43 and name HG22) (segid "   A" and resid   43 and name   HB) 1.831 0.419 0.419 weight 1.000 ! spec=Noesy-2013, no=1163, id=1161, vol=1.464160e+07
    or (segid "   A" and resid   43 and name HG21) (segid "   A" and resid   43 and name   HB)
    or (segid "   A" and resid   43 and name HG23) (segid "   A" and resid   43 and name   HB)
assign (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    5 and name   HB) 3.108 1.208 1.208 weight 1.000 ! spec=Noesy-2013, no=1164, id=1162, vol=6.695800e+05
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    5 and name   HB)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    5 and name   HB)
assign (segid "   A" and resid   82 and name HG23) (segid "   A" and resid   82 and name   HA) 2.437 0.742 0.742 weight 1.000 ! spec=Noesy-2013, no=1165, id=1163, vol=2.673271e+06
    or (segid "   A" and resid   82 and name HG22) (segid "   A" and resid   82 and name   HA)
    or (segid "   A" and resid   82 and name HG21) (segid "   A" and resid   82 and name   HA)
assign (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   61 and name   HA) 2.132 0.568 0.568 weight 1.000 ! spec=Noesy-2013, no=1166, id=1164, vol=6.188379e+06
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   61 and name   HA)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   61 and name   HA)
assign (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   37 and name   HB) 2.832 1.003 1.003 weight 1.000 ! spec=Noesy-2013, no=1167, id=1165, vol=1.340158e+06
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name   HA) 2.869 1.029 1.029 weight 1.000 ! spec=Noesy-2013, no=1168, id=1166, vol=1.137101e+06
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name   HA) 2.720 0.925 0.925 weight 1.000 ! spec=Noesy-2013, no=1169, id=1167, vol=1.533817e+06
assign (segid "   A" and resid   70 and name   HG) (segid "   A" and resid   70 and name   HA) 2.644 0.874 0.874 weight 1.000 ! spec=Noesy-2013, no=1170, id=1168, vol=1.831388e+06
assign (segid "   A" and resid   52 and name  HG1) (segid "   A" and resid   52 and name   HA) 2.821 0.994 0.994 weight 1.000 ! spec=Noesy-2013, no=1174, id=1172, vol=1.322983e+06
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HA) 2.595 0.842 0.842 weight 1.000 ! spec=Noesy-2013, no=1175, id=1173, vol=2.166231e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   42 and name   HB) 2.470 0.762 0.762 weight 1.000 ! spec=Noesy-2013, no=1177, id=1175, vol=2.805435e+06
    or (segid "   A" and resid   26 and name  HB3) (segid "   A" and resid   42 and name   HB)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   42 and name   HB)
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name   HA) 2.967 1.100 1.100 weight 1.000 ! spec=Noesy-2013, no=1179, id=1177, vol=8.909550e+05
assign (segid "   A" and resid   16 and name HG11) (segid "   A" and resid   18 and name   HA) 3.423 1.464 1.464 weight 1.000 ! spec=Noesy-2013, no=1180, id=1178, vol=3.714430e+05
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HA) 2.366 0.700 0.700 weight 1.000 ! spec=Noesy-2013, no=1183, id=1181, vol=3.434563e+06
assign (segid "   A" and resid   81 and name  HB1) (segid "   A" and resid   81 and name   HA) 2.601 0.845 0.845 weight 1.000 ! spec=Noesy-2013, no=1186, id=1184, vol=2.097766e+06
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HA) 2.577 0.830 0.830 weight 1.000 ! spec=Noesy-2013, no=1187, id=1185, vol=1.858563e+06
assign (segid "   A" and resid   67 and name  HG1) (segid "   A" and resid   54 and name  HA1) 2.753 2.753 3.247 weight 1.000 ! spec=Noesy-2013, no=1188, id=1186, vol=1.345162e+06
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   52 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=Noesy-2013, no=1189, id=1187, vol=1.892200e+06
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   80 and name   HA) 3.074 1.181 1.181 weight 1.000 ! spec=Noesy-2013, no=1191, id=1189, vol=7.001870e+05
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    8 and name   HA) 2.793 0.975 0.975 weight 1.000 ! spec=Noesy-2013, no=1192, id=1190, vol=1.371267e+06
assign (segid "   A" and resid    1 and name   HG) (segid "   A" and resid    1 and name   HA) 2.605 0.848 0.848 weight 1.000 ! spec=Noesy-2013, no=1194, id=1192, vol=2.076081e+06
assign (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   64 and name   HA) 2.500 0.781 0.781 weight 1.000 ! spec=Noesy-2013, no=1195, id=1193, vol=2.641399e+06
assign (segid "   A" and resid   62 and name  HG1) (segid "   A" and resid   62 and name   HA) 2.678 0.896 0.896 weight 1.000 ! spec=Noesy-2013, no=1196, id=1194, vol=1.836608e+06
assign (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   64 and name   HA) 2.426 0.736 0.736 weight 1.000 ! spec=Noesy-2013, no=1197, id=1195, vol=3.018229e+06
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.577 0.830 0.830 weight 1.000 ! spec=Noesy-2013, no=1199, id=1197, vol=2.093034e+06
assign (segid "   A" and resid   72 and name  HB2) (segid "   A" and resid   72 and name   HA) 3.116 1.213 1.213 weight 1.000 ! spec=Noesy-2013, no=1200, id=1198, vol=6.711320e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA) 2.219 0.616 0.616 weight 1.000 ! spec=Noesy-2013, no=1201, id=1199, vol=5.129622e+06
assign (segid "   A" and resid   72 and name  HG2) (segid "   A" and resid   72 and name   HA) 3.137 1.230 1.230 weight 1.000 ! spec=Noesy-2013, no=1203, id=1201, vol=5.175910e+05
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    5 and name   HB) 3.106 1.206 1.206 weight 1.000 ! spec=Noesy-2013, no=1204, id=1202, vol=6.961040e+05
assign (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   60 and name   HA) 2.639 0.870 0.870 weight 1.000 ! spec=Noesy-2013, no=1205, id=1203, vol=1.829888e+06
assign (segid "   A" and resid   62 and name  HG1) (segid "   A" and resid   60 and name   HA) 2.658 2.658 3.342 weight 1.000 ! spec=Noesy-2013, no=1206, id=1204, vol=1.785560e+06
assign (segid "   A" and resid   16 and name HG11) (segid "   A" and resid   37 and name   HB) 2.740 0.938 0.938 weight 1.000 ! spec=Noesy-2013, no=1207, id=1205, vol=1.461669e+06
assign (segid "   A" and resid   82 and name   HB) (segid "   A" and resid   82 and name   HA) 2.597 0.843 0.843 weight 1.000 ! spec=Noesy-2013, no=1210, id=1208, vol=1.991593e+06
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=Noesy-2013, no=1211, id=1209, vol=1.079089e+06
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name   HA) 2.361 0.697 0.697 weight 1.000 ! spec=Noesy-2013, no=1212, id=1210, vol=3.392820e+06
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name   HA) 2.882 1.038 1.038 weight 1.000 ! spec=Noesy-2013, no=1214, id=1212, vol=1.065485e+06
assign (segid "   A" and resid   57 and name   HB) (segid "   A" and resid   62 and name   HA) 2.754 2.754 3.246 weight 1.000 ! spec=Noesy-2013, no=1215, id=1213, vol=1.386437e+06
assign (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   50 and name   HA) 2.621 0.858 0.858 weight 1.000 ! spec=Noesy-2013, no=1216, id=1214, vol=1.881528e+06
assign (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   50 and name   HA) 2.571 0.826 0.826 weight 1.000 ! spec=Noesy-2013, no=1217, id=1215, vol=2.204802e+06
assign (segid "   A" and resid   72 and name  HB1) (segid "   A" and resid   72 and name   HA) 2.500 0.781 0.781 weight 1.000 ! spec=Noesy-2013, no=1218, id=1216, vol=2.565756e+06
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name   HA) 2.618 0.857 0.857 weight 1.000 ! spec=Noesy-2013, no=1219, id=1217, vol=1.938319e+06
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   45 and name   HA) 2.710 0.918 0.918 weight 1.000 ! spec=Noesy-2013, no=1221, id=1219, vol=1.488125e+06
assign (segid "   A" and resid   81 and name  HG1) (segid "   A" and resid   81 and name   HA) 2.811 0.987 0.987 weight 1.000 ! spec=Noesy-2013, no=1222, id=1220, vol=1.256018e+06
assign (segid "   A" and resid   65 and name  HG1) (segid "   A" and resid   65 and name   HA) 2.810 2.810 3.190 weight 1.000 ! spec=Noesy-2013, no=1223, id=1221, vol=1.255637e+06
assign (segid "   A" and resid   65 and name  HG2) (segid "   A" and resid   65 and name   HA) 3.036 1.152 1.152 weight 1.000 ! spec=Noesy-2013, no=1224, id=1222, vol=9.767800e+05
assign (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   51 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=Noesy-2013, no=1225, id=1223, vol=2.714073e+06
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   54 and name  HA1) 2.569 0.825 0.825 weight 1.000 ! spec=Noesy-2013, no=1226, id=1224, vol=1.957932e+06
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name   HA) 2.479 0.768 0.768 weight 1.000 ! spec=Noesy-2013, no=1228, id=1226, vol=2.637993e+06
assign (segid "   A" and resid   50 and name  HG1) (segid "   A" and resid   50 and name   HA) 2.887 2.887 3.113 weight 1.000 ! spec=Noesy-2013, no=1229, id=1227, vol=1.057607e+06
assign (segid "   A" and resid   50 and name  HG2) (segid "   A" and resid   50 and name   HA) 2.862 1.024 1.024 weight 1.000 ! spec=Noesy-2013, no=1230, id=1228, vol=1.111847e+06
assign (segid "   A" and resid   81 and name  HG2) (segid "   A" and resid   53 and name  HA2) 3.447 1.485 1.485 weight 1.000 ! spec=Noesy-2013, no=1231, id=1229, vol=3.475090e+05
assign (segid "   A" and resid   61 and name   HB) (segid "   A" and resid   61 and name   HA) 2.846 1.013 1.013 weight 1.000 ! spec=Noesy-2013, no=1232, id=1230, vol=1.180768e+06
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name   HA) 2.596 0.843 0.843 weight 1.000 ! spec=Noesy-2013, no=1233, id=1231, vol=2.080426e+06
assign (segid "   A" and resid   75 and name  HB1) (segid "   A" and resid   75 and name   HA) 2.618 0.857 0.857 weight 1.000 ! spec=Noesy-2013, no=1235, id=1233, vol=1.991581e+06
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    6 and name   HA) 2.759 0.951 0.951 weight 1.000 ! spec=Noesy-2013, no=1236, id=1234, vol=1.463083e+06
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name   HA) 2.921 1.066 1.066 weight 1.000 ! spec=Noesy-2013, no=1237, id=1235, vol=9.951710e+05
assign (segid "   A" and resid   52 and name  HE2) (segid "   A" and resid   29 and name  HA2) 2.347 0.689 0.689 weight 1.000 ! spec=Noesy-2013, no=1238, id=1236, vol=3.505189e+06
assign (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   35 and name   HA) 2.772 0.960 0.960 weight 1.000 ! spec=Noesy-2013, no=1239, id=1237, vol=1.461131e+06
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   29 and name  HA2) 2.972 2.972 3.028 weight 1.000 ! spec=Noesy-2013, no=1240, id=1238, vol=9.770040e+05
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name   HA) 2.918 1.064 1.064 weight 1.000 ! spec=Noesy-2013, no=1241, id=1239, vol=1.067648e+06
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name   HA) 2.800 0.980 0.980 weight 1.000 ! spec=Noesy-2013, no=1242, id=1240, vol=1.172894e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    8 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=Noesy-2013, no=1243, id=1241, vol=8.534980e+05
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   54 and name  HA1) 2.781 2.781 3.219 weight 1.000 ! spec=Noesy-2013, no=1244, id=1242, vol=1.328566e+06
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HA) 2.535 0.803 0.803 weight 1.000 ! spec=Noesy-2013, no=1245, id=1243, vol=2.238661e+06
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name   HA) 2.615 0.855 0.855 weight 1.000 ! spec=Noesy-2013, no=1246, id=1244, vol=1.913000e+06
assign (segid "   A" and resid   46 and name  HB2) (segid "   A" and resid   46 and name   HA) 2.501 0.782 0.782 weight 1.000 ! spec=Noesy-2013, no=1247, id=1245, vol=2.337433e+06
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HA) 2.642 0.873 0.873 weight 1.000 ! spec=Noesy-2013, no=1249, id=1247, vol=1.670347e+06
assign (segid "   A" and resid   54 and name  HA2) (segid "   A" and resid   54 and name  HA1) 2.349 0.690 0.690 weight 1.000 ! spec=Noesy-2013, no=1250, id=1248, vol=4.539456e+06
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HA) 2.918 1.064 1.064 weight 1.000 ! spec=Noesy-2013, no=1252, id=1250, vol=1.322219e+06
assign (segid "   A" and resid   63 and name  HB2) (segid "   A" and resid   62 and name   HA) 3.449 1.487 1.487 weight 1.000 ! spec=Noesy-2013, no=1254, id=1252, vol=3.735300e+05
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    5 and name   HB) 2.813 0.989 0.989 weight 1.000 ! spec=Noesy-2013, no=1255, id=1253, vol=1.227218e+06
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   37 and name   HA) 3.573 1.596 1.596 weight 1.000 ! spec=Noesy-2013, no=1256, id=1254, vol=3.213750e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   23 and name   HA) 3.371 1.420 1.420 weight 1.000 ! spec=Noesy-2013, no=1257, id=1255, vol=3.670090e+05
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HA) 2.504 0.784 0.784 weight 1.000 ! spec=Noesy-2013, no=1258, id=1256, vol=2.348055e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=Noesy-2013, no=1259, id=1257, vol=1.885349e+06
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   30 and name   HB) 2.448 0.749 0.749 weight 1.000 ! spec=Noesy-2013, no=1260, id=1258, vol=2.861191e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name   HB) 2.057 2.057 3.943 weight 1.000 ! spec=Noesy-2013, no=1262, id=1260, vol=7.479512e+06
assign (segid "   A" and resid   37 and name   HB) (segid "   A" and resid   37 and name   HA) 2.220 2.220 3.780 weight 1.000 ! spec=Noesy-2013, no=1263, id=1261, vol=5.041466e+06
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   19 and name   HA) 2.080 2.080 3.920 weight 1.000 ! spec=Noesy-2013, no=1264, id=1262, vol=7.790210e+06
assign (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   20 and name   HA) 2.160 2.160 3.840 weight 1.000 ! spec=Noesy-2013, no=1265, id=1263, vol=5.591796e+06
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    1 and name   HA) 2.225 0.619 0.619 weight 1.000 ! spec=Noesy-2013, no=1266, id=1264, vol=5.325364e+06
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA) 2.062 2.062 3.938 weight 1.000 ! spec=Noesy-2013, no=1268, id=1266, vol=7.804010e+06
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=Noesy-2013, no=1269, id=1267, vol=1.171504e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HA) 2.756 0.949 0.949 weight 1.000 ! spec=Noesy-2013, no=1270, id=1268, vol=1.418937e+06
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    5 and name   HA) 2.922 2.922 3.078 weight 1.000 ! spec=Noesy-2013, no=1273, id=1271, vol=9.571220e+05
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    5 and name   HA) 2.772 0.961 0.961 weight 1.000 ! spec=Noesy-2013, no=1274, id=1272, vol=1.235860e+06
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    5 and name   HA) 2.699 0.911 0.911 weight 1.000 ! spec=Noesy-2013, no=1275, id=1273, vol=1.564718e+06
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HD1) 2.128 0.566 0.566 weight 1.000 ! spec=Noesy-2013, no=1276, id=1274, vol=6.674383e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name  HB1) 2.523 0.796 0.796 weight 1.000 ! spec=Noesy-2013, no=1277, id=1275, vol=2.296133e+06
assign (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   24 and name  HD2) 1.935 0.468 0.468 weight 1.000 ! spec=Noesy-2013, no=1278, id=1276, vol=1.097723e+07
assign (segid "   A" and resid   56 and name  HB2) (segid "   A" and resid   56 and name  HB1) 2.282 0.651 0.651 weight 1.000 ! spec=Noesy-2013, no=1279, id=1277, vol=3.967360e+06
assign (segid "   A" and resid   78 and name  HB1) (segid "   A" and resid   78 and name  HB2) 2.409 0.725 0.725 weight 1.000 ! spec=Noesy-2013, no=1280, id=1278, vol=3.543283e+06
assign (segid "   A" and resid   76 and name  HB1) (segid "   A" and resid   71 and name  HB2) 2.985 1.114 1.114 weight 1.000 ! spec=Noesy-2013, no=1281, id=1279, vol=8.780100e+05
assign (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   72 and name  HD2) 3.330 1.386 1.386 weight 1.000 ! spec=Noesy-2013, no=1282, id=1280, vol=4.408650e+05
assign (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   71 and name  HB2) 2.347 0.688 0.688 weight 1.000 ! spec=Noesy-2013, no=1283, id=1281, vol=3.782396e+06
assign (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   58 and name  HB1) 2.225 0.619 0.619 weight 1.000 ! spec=Noesy-2013, no=1284, id=1282, vol=5.092381e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HB1) 2.131 0.568 0.568 weight 1.000 ! spec=Noesy-2013, no=1285, id=1283, vol=6.496111e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HB2) 2.285 0.653 0.653 weight 1.000 ! spec=Noesy-2013, no=1286, id=1284, vol=4.878441e+06
assign (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   47 and name  HB2) 2.303 0.663 0.663 weight 1.000 ! spec=Noesy-2013, no=1287, id=1285, vol=3.561290e+06
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name  HB1) 2.150 0.578 0.578 weight 1.000 ! spec=Noesy-2013, no=1289, id=1287, vol=5.798959e+06
assign (segid "   A" and resid   59 and name  HD1) (segid "   A" and resid   59 and name  HD2) 2.198 0.604 0.604 weight 1.000 ! spec=Noesy-2013, no=1290, id=1288, vol=5.540694e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   25 and name  HB2) 2.869 1.029 1.029 weight 1.000 ! spec=Noesy-2013, no=1292, id=1290, vol=1.260619e+06
assign (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name  HD2) 3.095 1.197 1.197 weight 1.000 ! spec=Noesy-2013, no=1293, id=1291, vol=7.170580e+05
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   34 and name   HA) 3.146 3.146 2.854 weight 1.000 ! spec=Noesy-2013, no=1294, id=1292, vol=6.544870e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HD2) 2.906 1.056 1.056 weight 1.000 ! spec=Noesy-2013, no=1297, id=1295, vol=1.030640e+06
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HD2) 2.751 0.946 0.946 weight 1.000 ! spec=Noesy-2013, no=1298, id=1296, vol=1.435999e+06
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HD1) 2.851 1.016 1.016 weight 1.000 ! spec=Noesy-2013, no=1299, id=1297, vol=1.110636e+06
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HD1) 2.753 0.948 0.948 weight 1.000 ! spec=Noesy-2013, no=1300, id=1298, vol=1.395778e+06
assign (segid "   A" and resid   72 and name  HB1) (segid "   A" and resid   72 and name  HD1) 3.329 1.385 1.385 weight 1.000 ! spec=Noesy-2013, no=1301, id=1299, vol=4.759610e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name   HA) 2.499 0.781 0.781 weight 1.000 ! spec=Noesy-2013, no=1302, id=1300, vol=2.531997e+06
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD1) 2.521 0.795 0.795 weight 1.000 ! spec=Noesy-2013, no=1303, id=1301, vol=2.367129e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HD1) 2.931 1.074 1.074 weight 1.000 ! spec=Noesy-2013, no=1304, id=1302, vol=1.014750e+06
assign (segid "   A" and resid   72 and name  HG2) (segid "   A" and resid   72 and name  HD2) 2.669 0.890 0.890 weight 1.000 ! spec=Noesy-2013, no=1305, id=1303, vol=1.694991e+06
assign (segid "   A" and resid   72 and name  HG2) (segid "   A" and resid   72 and name  HD1) 2.596 0.842 0.842 weight 1.000 ! spec=Noesy-2013, no=1306, id=1304, vol=2.010894e+06
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD2) 2.632 0.866 0.866 weight 1.000 ! spec=Noesy-2013, no=1307, id=1305, vol=1.810089e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HD2) 2.953 1.090 1.090 weight 1.000 ! spec=Noesy-2013, no=1308, id=1306, vol=9.404950e+05
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HA) 2.718 0.924 0.924 weight 1.000 ! spec=Noesy-2013, no=1309, id=1307, vol=1.531266e+06
assign (segid "   A" and resid   72 and name  HG1) (segid "   A" and resid   72 and name  HD1) 2.954 1.091 1.091 weight 1.000 ! spec=Noesy-2013, no=1310, id=1308, vol=9.492080e+05
assign (segid "   A" and resid   72 and name  HG1) (segid "   A" and resid   72 and name  HD2) 2.795 0.976 0.976 weight 1.000 ! spec=Noesy-2013, no=1311, id=1309, vol=1.296278e+06
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name  HB2) 1.944 0.472 0.472 weight 1.000 ! spec=Noesy-2013, no=1312, id=1310, vol=1.119097e+07
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    8 and name  HB1) 3.577 1.599 1.599 weight 1.000 ! spec=Noesy-2013, no=1313, id=1311, vol=3.459050e+05
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid    8 and name  HB1) 3.771 1.778 1.778 weight 1.000 ! spec=Noesy-2013, no=1316, id=1314, vol=2.347970e+05
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid    8 and name  HB2) 3.514 3.514 2.486 weight 1.000 ! spec=Noesy-2013, no=1317, id=1315, vol=4.413250e+05
assign (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   51 and name  HB2) 2.410 0.726 0.726 weight 1.000 ! spec=Noesy-2013, no=1318, id=1316, vol=4.299424e+06
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name  HB2) 2.105 0.554 0.554 weight 1.000 ! spec=Noesy-2013, no=1319, id=1317, vol=8.235814e+06
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HB1) 2.476 0.766 0.766 weight 1.000 ! spec=Noesy-2013, no=1320, id=1318, vol=2.679212e+06
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HB2) 2.381 0.709 0.709 weight 1.000 ! spec=Noesy-2013, no=1321, id=1319, vol=4.186028e+06
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name  HB2) 2.199 0.605 0.605 weight 1.000 ! spec=Noesy-2013, no=1322, id=1320, vol=6.141397e+06
assign (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   35 and name  HG1) 1.933 0.467 0.467 weight 1.000 ! spec=Noesy-2013, no=1323, id=1321, vol=1.190493e+07
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   45 and name  HB2) 2.039 0.520 0.520 weight 1.000 ! spec=Noesy-2013, no=1324, id=1322, vol=8.254403e+06
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name  HG1) 2.731 0.932 0.932 weight 1.000 ! spec=Noesy-2013, no=1325, id=1323, vol=1.559085e+06
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   59 and name  HD1) 2.554 0.816 0.816 weight 1.000 ! spec=Noesy-2013, no=1326, id=1324, vol=2.197815e+06
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HB2) 2.862 1.024 1.024 weight 1.000 ! spec=Noesy-2013, no=1327, id=1325, vol=1.085221e+06
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HB1) 2.532 0.801 0.801 weight 1.000 ! spec=Noesy-2013, no=1328, id=1326, vol=2.311850e+06
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   59 and name  HD2) 2.593 0.840 0.840 weight 1.000 ! spec=Noesy-2013, no=1331, id=1329, vol=1.994280e+06
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name  HD2) 3.048 1.161 1.161 weight 1.000 ! spec=Noesy-2013, no=1333, id=1331, vol=7.524760e+05
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name  HD2) 2.419 0.731 0.731 weight 1.000 ! spec=Noesy-2013, no=1341, id=1339, vol=3.001265e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid   32 and name  HB2) 3.418 1.460 1.460 weight 1.000 ! spec=Noesy-2013, no=1343, id=1341, vol=3.919510e+05
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name   HA) 3.084 1.189 1.189 weight 1.000 ! spec=Noesy-2013, no=1344, id=1342, vol=7.253550e+05
assign (segid "   A" and resid    1 and name   HG) (segid "   A" and resid    2 and name  HD1) 3.165 1.252 1.252 weight 1.000 ! spec=Noesy-2013, no=1346, id=1344, vol=6.568340e+05
assign (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid    2 and name  HD1) 2.773 0.961 0.961 weight 1.000 ! spec=Noesy-2013, no=1347, id=1345, vol=1.333230e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HD1) 3.039 1.154 1.154 weight 1.000 ! spec=Noesy-2013, no=1348, id=1346, vol=7.828260e+05
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   69 and name  HA1) 3.268 1.335 1.335 weight 1.000 ! spec=Noesy-2013, no=1349, id=1347, vol=5.449810e+05
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    2 and name  HD1) 3.021 1.141 1.141 weight 1.000 ! spec=Noesy-2013, no=1350, id=1348, vol=8.314440e+05
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    6 and name   HA) 3.653 1.668 1.668 weight 1.000 ! spec=Noesy-2013, no=1352, id=1350, vol=2.962420e+05
assign (segid "   A" and resid    2 and name  HG1) (segid "   A" and resid    2 and name  HD1) 3.048 1.161 1.161 weight 1.000 ! spec=Noesy-2013, no=1353, id=1351, vol=7.703230e+05
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    2 and name  HD1) 3.165 1.252 1.252 weight 1.000 ! spec=Noesy-2013, no=1354, id=1352, vol=5.707680e+05
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    2 and name  HD1)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   52 and name  HG1) (segid "   A" and resid   49 and name   HA) 2.806 0.984 0.984 weight 1.000 ! spec=Noesy-2013, no=1356, id=1354, vol=1.227012e+06
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    5 and name   HB) 2.099 0.551 0.551 weight 1.000 ! spec=Noesy-2013, no=1358, id=1356, vol=6.494535e+06
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    5 and name   HB)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    5 and name   HB)
assign (segid "   A" and resid   61 and name HG12) (segid "   A" and resid   61 and name   HA) 2.899 1.051 1.051 weight 1.000 ! spec=Noesy-2013, no=1359, id=1357, vol=1.025478e+06
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    5 and name   HA) 2.155 0.581 0.581 weight 1.000 ! spec=Noesy-2013, no=1360, id=1358, vol=5.523238e+06
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   77 and name   HB) 2.058 0.530 0.530 weight 1.000 ! spec=Noesy-2013, no=1361, id=1359, vol=7.230291e+06
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   77 and name   HB)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   77 and name   HB)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   37 and name   HB) 2.070 0.536 0.536 weight 1.000 ! spec=Noesy-2013, no=1362, id=1360, vol=7.123972e+06
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   61 and name   HA) 2.234 0.624 0.624 weight 1.000 ! spec=Noesy-2013, no=1363, id=1361, vol=4.661629e+06
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   61 and name   HA)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   61 and name   HA)
assign (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    6 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=Noesy-2013, no=1364, id=1362, vol=1.654867e+06
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    9 and name HG23) (segid "   A" and resid    6 and name   HA) 3.232 1.306 1.306 weight 1.000 ! spec=Noesy-2013, no=1365, id=1363, vol=5.725200e+05
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    9 and name HG21) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    9 and name HG13) (segid "   A" and resid    6 and name   HA) 2.366 0.700 0.700 weight 1.000 ! spec=Noesy-2013, no=1366, id=1364, vol=3.247563e+06
    or (segid "   A" and resid    9 and name HG11) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    9 and name HG12) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   37 and name   HB) 3.050 1.162 1.162 weight 1.000 ! spec=Noesy-2013, no=1367, id=1365, vol=8.623940e+05
assign (segid "   A" and resid    9 and name HG13) (segid "   A" and resid    9 and name   HA) 2.032 2.032 3.968 weight 1.000 ! spec=Noesy-2013, no=1368, id=1366, vol=7.920001e+06
    or (segid "   A" and resid    9 and name HG11) (segid "   A" and resid    9 and name   HA)
    or (segid "   A" and resid    9 and name HG12) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid    9 and name HG23) (segid "   A" and resid    9 and name   HA) 2.118 0.561 0.561 weight 1.000 ! spec=Noesy-2013, no=1370, id=1368, vol=6.285499e+06
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid    9 and name   HA)
    or (segid "   A" and resid    9 and name HG21) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   29 and name  HA1) 2.619 0.858 0.858 weight 1.000 ! spec=Noesy-2013, no=1371, id=1369, vol=1.692094e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   29 and name  HA1)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   29 and name  HA1)
assign (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   18 and name  HB1) 2.701 0.912 0.912 weight 1.000 ! spec=Noesy-2013, no=1372, id=1370, vol=1.467940e+06
    or (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   18 and name  HB1)
assign (segid "   A" and resid    1 and name HD21) (segid "   A" and resid    2 and name  HD1) 2.840 1.008 1.008 weight 1.000 ! spec=Noesy-2013, no=1373, id=1371, vol=1.139775e+06
    or (segid "   A" and resid    1 and name HD23) (segid "   A" and resid    2 and name  HD1)
    or (segid "   A" and resid    1 and name HD22) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   22 and name  HD2) 2.874 1.033 1.033 weight 1.000 ! spec=Noesy-2013, no=1374, id=1372, vol=9.849910e+05
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   22 and name  HD2)
assign (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   13 and name  HA1) 2.851 1.016 1.016 weight 1.000 ! spec=Noesy-2013, no=1375, id=1373, vol=1.073348e+06
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   13 and name  HA1)
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   13 and name  HA1)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   13 and name  HA1) 2.768 0.958 0.958 weight 1.000 ! spec=Noesy-2013, no=1376, id=1374, vol=1.295853e+06
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   13 and name  HA1)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   13 and name  HA1)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   34 and name   HA) 2.235 0.624 0.624 weight 1.000 ! spec=Noesy-2013, no=1377, id=1375, vol=4.366220e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   34 and name   HA)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name   HA) 3.039 1.154 1.154 weight 1.000 ! spec=Noesy-2013, no=1379, id=1377, vol=8.007240e+05
assign (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   11 and name  HB1) 2.725 2.725 3.275 weight 1.000 ! spec=Noesy-2013, no=1382, id=1380, vol=1.416583e+06
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   11 and name  HB1)
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HD1) 2.813 2.813 3.187 weight 1.000 ! spec=Noesy-2013, no=1383, id=1381, vol=1.243335e+06
assign (segid "   A" and resid    1 and name HD21) (segid "   A" and resid    2 and name  HD2) 2.801 0.981 0.981 weight 1.000 ! spec=Noesy-2013, no=1385, id=1383, vol=1.296380e+06
    or (segid "   A" and resid    1 and name HD23) (segid "   A" and resid    2 and name  HD2)
    or (segid "   A" and resid    1 and name HD22) (segid "   A" and resid    2 and name  HD2)
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    2 and name  HD2) 2.462 0.758 0.758 weight 1.000 ! spec=Noesy-2013, no=1386, id=1384, vol=2.533599e+06
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    2 and name  HD2)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    2 and name  HD2)
assign (segid "   A" and resid    2 and name  HG1) (segid "   A" and resid    2 and name  HD2) 3.067 1.176 1.176 weight 1.000 ! spec=Noesy-2013, no=1387, id=1385, vol=7.841470e+05
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HD2) 3.124 1.220 1.220 weight 1.000 ! spec=Noesy-2013, no=1391, id=1389, vol=6.824470e+05
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    8 and name  HB1) 3.205 1.284 1.284 weight 1.000 ! spec=Noesy-2013, no=1397, id=1395, vol=4.988160e+05
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    8 and name  HB1)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    8 and name  HB2) 3.328 1.385 1.385 weight 1.000 ! spec=Noesy-2013, no=1398, id=1396, vol=5.453530e+05
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   38 and name  HB2) 3.300 1.361 1.361 weight 1.000 ! spec=Noesy-2013, no=1399, id=1397, vol=4.580800e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   38 and name  HB2)
assign (segid "   A" and resid   82 and name HG12) (segid "   A" and resid   63 and name  HB2) 2.983 1.112 1.112 weight 1.000 ! spec=Noesy-2013, no=1400, id=1398, vol=8.326550e+05
assign (segid "   A" and resid   70 and name HD21) (segid "   A" and resid   76 and name  HB2) 2.947 1.085 1.085 weight 1.000 ! spec=Noesy-2013, no=1401, id=1399, vol=9.343330e+05
    or (segid "   A" and resid   70 and name HD23) (segid "   A" and resid   76 and name  HB2)
    or (segid "   A" and resid   70 and name HD22) (segid "   A" and resid   76 and name  HB2)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   46 and name  HB2) 3.323 1.380 1.380 weight 1.000 ! spec=Noesy-2013, no=1404, id=1402, vol=3.820870e+05
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   46 and name  HB2)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   46 and name  HB2)
assign (segid "   A" and resid    9 and name HG13) (segid "   A" and resid    8 and name  HB2) 3.468 1.504 1.504 weight 1.000 ! spec=Noesy-2013, no=1405, id=1403, vol=3.167810e+05
    or (segid "   A" and resid    9 and name HG11) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid    9 and name HG12) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   28 and name  HB2) 2.840 2.840 3.160 weight 1.000 ! spec=Noesy-2013, no=1407, id=1405, vol=1.155376e+06
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   28 and name  HB2) 2.547 0.811 0.811 weight 1.000 ! spec=Noesy-2013, no=1408, id=1406, vol=2.188983e+06
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   46 and name  HB1) 2.828 1.000 1.000 weight 1.000 ! spec=Noesy-2013, no=1409, id=1407, vol=1.144962e+06
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   46 and name  HB1)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   46 and name  HB1)
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid   36 and name  HE2) 2.856 1.019 1.019 weight 1.000 ! spec=Noesy-2013, no=1410, id=1408, vol=1.119305e+06
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   58 and name  HB2) 3.140 1.232 1.232 weight 1.000 ! spec=Noesy-2013, no=1412, id=1410, vol=6.192720e+05
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   58 and name  HB2)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   58 and name  HB2)
assign (segid "   A" and resid   52 and name  HG1) (segid "   A" and resid   52 and name  HE1) 3.358 1.409 1.409 weight 1.000 ! spec=Noesy-2013, no=1415, id=1413, vol=4.230970e+05
assign (segid "   A" and resid   61 and name HG11) (segid "   A" and resid   58 and name  HB2) 3.311 1.371 1.371 weight 1.000 ! spec=Noesy-2013, no=1416, id=1414, vol=4.922620e+05
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   28 and name  HB2) 3.192 1.274 1.274 weight 1.000 ! spec=Noesy-2013, no=1421, id=1419, vol=5.837460e+05
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   25 and name  HB1) 3.013 1.135 1.135 weight 1.000 ! spec=Noesy-2013, no=1423, id=1421, vol=8.575420e+05
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   79 and name  HB1) 2.640 2.640 3.360 weight 1.000 ! spec=Noesy-2013, no=1425, id=1423, vol=1.673793e+06
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   79 and name  HB1)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   79 and name  HB1)
assign (segid "   A" and resid   52 and name  HG1) (segid "   A" and resid   52 and name  HE2) 3.358 1.409 1.409 weight 1.000 ! spec=Noesy-2013, no=1426, id=1424, vol=4.266720e+05
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   28 and name  HB1) 2.507 2.507 3.493 weight 1.000 ! spec=Noesy-2013, no=1428, id=1426, vol=2.341649e+06
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   82 and name HD11) (segid "   A" and resid   79 and name  HB1) 2.863 1.025 1.025 weight 1.000 ! spec=Noesy-2013, no=1429, id=1427, vol=1.083731e+06
    or (segid "   A" and resid   82 and name HD13) (segid "   A" and resid   79 and name  HB1)
    or (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   79 and name  HB1)
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   52 and name  HE1) 3.184 1.267 1.267 weight 1.000 ! spec=Noesy-2013, no=1431, id=1429, vol=5.783440e+05
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HG1) 2.809 0.986 0.986 weight 1.000 ! spec=Noesy-2013, no=1432, id=1430, vol=1.248932e+06
assign (segid "   A" and resid   50 and name  HG2) (segid "   A" and resid   50 and name  HG1) 1.712 0.366 0.366 weight 1.000 ! spec=Noesy-2013, no=1434, id=1432, vol=2.347875e+07
assign (segid "   A" and resid   35 and name  HB2) (segid "   A" and resid   35 and name  HG2) 2.814 0.990 0.990 weight 1.000 ! spec=Noesy-2013, no=1435, id=1433, vol=1.000401e+06
assign (segid "   A" and resid   66 and name  HG1) (segid "   A" and resid   66 and name  HG2) 1.816 0.412 0.412 weight 1.000 ! spec=Noesy-2013, no=1437, id=1435, vol=1.718243e+07
assign (segid "   A" and resid   65 and name  HG2) (segid "   A" and resid   65 and name  HG1) 1.925 0.463 0.463 weight 1.000 ! spec=Noesy-2013, no=1438, id=1436, vol=1.125115e+07
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name  HG2) 3.016 1.137 1.137 weight 1.000 ! spec=Noesy-2013, no=1439, id=1437, vol=7.751190e+05
assign (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   50 and name  HG1) 2.767 0.957 0.957 weight 1.000 ! spec=Noesy-2013, no=1440, id=1438, vol=1.253555e+06
assign (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   50 and name  HG2) 3.155 1.244 1.244 weight 1.000 ! spec=Noesy-2013, no=1441, id=1439, vol=6.518810e+05
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name  HG2) 2.159 0.582 0.582 weight 1.000 ! spec=Noesy-2013, no=1442, id=1440, vol=6.189320e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name  HB2) 2.364 0.699 0.699 weight 1.000 ! spec=Noesy-2013, no=1444, id=1442, vol=3.475838e+06
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   15 and name  HB1) 3.286 1.349 1.349 weight 1.000 ! spec=Noesy-2013, no=1445, id=1443, vol=5.098830e+05
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HB1) 3.329 1.385 1.385 weight 1.000 ! spec=Noesy-2013, no=1447, id=1445, vol=4.393060e+05
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HB1) 2.987 1.115 1.115 weight 1.000 ! spec=Noesy-2013, no=1448, id=1446, vol=8.902830e+05
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid   15 and name  HB1) 3.343 1.397 1.397 weight 1.000 ! spec=Noesy-2013, no=1451, id=1449, vol=4.436590e+05
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HG2) 2.537 0.804 0.804 weight 1.000 ! spec=Noesy-2013, no=1453, id=1451, vol=2.308704e+06
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   66 and name  HG1) 2.656 0.882 0.882 weight 1.000 ! spec=Noesy-2013, no=1454, id=1452, vol=1.528437e+06
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   66 and name  HG1)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   66 and name  HG1)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   34 and name  HB1) 3.002 1.126 1.126 weight 1.000 ! spec=Noesy-2013, no=1455, id=1453, vol=7.624530e+05
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   67 and name  HG1) (segid "   A" and resid   67 and name  HG2) 2.157 0.582 0.582 weight 1.000 ! spec=Noesy-2013, no=1457, id=1455, vol=5.884100e+06
assign (segid "   A" and resid   81 and name  HB1) (segid "   A" and resid   81 and name  HB2) 1.989 0.495 0.495 weight 1.000 ! spec=Noesy-2013, no=1458, id=1456, vol=1.026894e+07
assign (segid "   A" and resid   72 and name  HB2) (segid "   A" and resid   72 and name  HB1) 2.821 0.995 0.995 weight 1.000 ! spec=Noesy-2013, no=1461, id=1458, vol=1.353326e+06
assign (segid "   A" and resid   34 and name  HG1) (segid "   A" and resid   34 and name  HB2) 3.292 1.354 1.354 weight 1.000 ! spec=Noesy-2013, no=1463, id=1460, vol=4.300990e+05
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HB2) 2.996 1.122 1.122 weight 1.000 ! spec=Noesy-2013, no=1464, id=1461, vol=8.237880e+05
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name  HB1) 2.898 1.049 1.049 weight 1.000 ! spec=Noesy-2013, no=1466, id=1463, vol=8.826150e+05
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name  HB1) 2.784 0.969 0.969 weight 1.000 ! spec=Noesy-2013, no=1467, id=1464, vol=1.284182e+06
assign (segid "   A" and resid   16 and name HG11) (segid "   A" and resid   16 and name   HB) 2.996 1.122 1.122 weight 1.000 ! spec=Noesy-2013, no=1469, id=1466, vol=7.443990e+05
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HB1) 1.943 0.472 0.472 weight 1.000 ! spec=Noesy-2013, no=1470, id=1467, vol=1.149637e+07
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HB1) 1.892 0.447 0.447 weight 1.000 ! spec=Noesy-2013, no=1471, id=1468, vol=1.376980e+07
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HB2) 1.894 0.448 0.448 weight 1.000 ! spec=Noesy-2013, no=1472, id=1469, vol=1.260011e+07
assign (segid "   A" and resid    5 and name HG21) (segid "   A" and resid    9 and name   HB) 3.345 1.399 1.399 weight 1.000 ! spec=Noesy-2013, no=1473, id=1470, vol=3.967520e+05
    or (segid "   A" and resid    5 and name HG22) (segid "   A" and resid    9 and name   HB)
    or (segid "   A" and resid    5 and name HG23) (segid "   A" and resid    9 and name   HB)
assign (segid "   A" and resid   52 and name  HG1) (segid "   A" and resid   52 and name  HB1) 2.986 1.114 1.114 weight 1.000 ! spec=Noesy-2013, no=1474, id=1471, vol=8.479640e+05
assign (segid "   A" and resid   61 and name HG12) (segid "   A" and resid   57 and name   HB) 3.085 1.190 1.190 weight 1.000 ! spec=Noesy-2013, no=1475, id=1472, vol=6.968760e+05
assign (segid "   A" and resid   61 and name HG11) (segid "   A" and resid   57 and name   HB) 3.342 1.396 1.396 weight 1.000 ! spec=Noesy-2013, no=1476, id=1473, vol=3.878060e+05
assign (segid "   A" and resid   77 and name HG22) (segid "   A" and resid   66 and name  HB1) 3.460 1.496 1.496 weight 1.000 ! spec=Noesy-2013, no=1477, id=1474, vol=2.585510e+05
    or (segid "   A" and resid   77 and name HG21) (segid "   A" and resid   66 and name  HB1)
    or (segid "   A" and resid   77 and name HG23) (segid "   A" and resid   66 and name  HB1)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   34 and name  HB2) 2.599 0.844 0.844 weight 1.000 ! spec=Noesy-2013, no=1478, id=1475, vol=1.782293e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   34 and name  HB2)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid    9 and name HG13) (segid "   A" and resid    9 and name   HB) 2.046 0.523 0.523 weight 1.000 ! spec=Noesy-2013, no=1479, id=1476, vol=7.598837e+06
    or (segid "   A" and resid    9 and name HG11) (segid "   A" and resid    9 and name   HB)
    or (segid "   A" and resid    9 and name HG12) (segid "   A" and resid    9 and name   HB)
assign (segid "   A" and resid    9 and name HG23) (segid "   A" and resid    9 and name   HB) 2.071 0.536 0.536 weight 1.000 ! spec=Noesy-2013, no=1480, id=1477, vol=7.213556e+06
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid    9 and name   HB)
    or (segid "   A" and resid    9 and name HG21) (segid "   A" and resid    9 and name   HB)
assign (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   57 and name   HB) 2.500 0.781 0.781 weight 1.000 ! spec=Noesy-2013, no=1482, id=1479, vol=2.275027e+06
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   57 and name   HB)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   57 and name   HB) 2.828 1.000 1.000 weight 1.000 ! spec=Noesy-2013, no=1483, id=1480, vol=1.126334e+06
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   57 and name   HB)
assign (segid "   A" and resid   20 and name HG12) (segid "   A" and resid   20 and name   HB) 1.870 0.437 0.437 weight 1.000 ! spec=Noesy-2013, no=1484, id=1481, vol=1.174910e+07
    or (segid "   A" and resid   20 and name HG13) (segid "   A" and resid   20 and name   HB)
    or (segid "   A" and resid   20 and name HG11) (segid "   A" and resid   20 and name   HB)
assign (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   61 and name   HB) 1.950 0.475 0.475 weight 1.000 ! spec=Noesy-2013, no=1487, id=1484, vol=1.098397e+07
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   61 and name   HB)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   61 and name   HB)
assign (segid "   A" and resid   40 and name HG12) (segid "   A" and resid   40 and name   HB) 2.235 0.624 0.624 weight 1.000 ! spec=Noesy-2013, no=1488, id=1485, vol=4.606731e+06
    or (segid "   A" and resid   40 and name HG13) (segid "   A" and resid   40 and name   HB)
    or (segid "   A" and resid   40 and name HG11) (segid "   A" and resid   40 and name   HB)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   61 and name   HB) 2.574 0.828 0.828 weight 1.000 ! spec=Noesy-2013, no=1489, id=1486, vol=1.980194e+06
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   61 and name   HB)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   61 and name   HB)
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   16 and name   HB) 3.072 1.180 1.180 weight 1.000 ! spec=Noesy-2013, no=1490, id=1487, vol=7.379040e+05
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   19 and name  HB1) 3.454 1.492 1.492 weight 1.000 ! spec=Noesy-2013, no=1492, id=1489, vol=3.080820e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   19 and name  HB1)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   40 and name   HB) 3.223 1.299 1.299 weight 1.000 ! spec=Noesy-2013, no=1493, id=1490, vol=4.841520e+05
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   40 and name   HB)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   40 and name   HB)
assign (segid "   A" and resid   61 and name HG11) (segid "   A" and resid   61 and name   HB) 2.760 0.952 0.952 weight 1.000 ! spec=Noesy-2013, no=1494, id=1491, vol=1.346600e+06
assign (segid "   A" and resid   61 and name HG12) (segid "   A" and resid   61 and name   HB) 2.602 0.846 0.846 weight 1.000 ! spec=Noesy-2013, no=1495, id=1492, vol=1.978782e+06
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HB2) 2.185 0.597 0.597 weight 1.000 ! spec=Noesy-2013, no=1496, id=1493, vol=5.778081e+06
assign (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   60 and name  HB2) 2.091 0.546 0.546 weight 1.000 ! spec=Noesy-2013, no=1501, id=1498, vol=7.625897e+06
assign (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   64 and name  HB1) 1.989 0.494 0.494 weight 1.000 ! spec=Noesy-2013, no=1503, id=1500, vol=8.696724e+06
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name   HG) 1.888 0.446 0.446 weight 1.000 ! spec=Noesy-2013, no=1505, id=1502, vol=1.497761e+07
assign (segid "   A" and resid   34 and name  HG2) (segid "   A" and resid   34 and name  HG1) 1.890 0.446 0.446 weight 1.000 ! spec=Noesy-2013, no=1506, id=1503, vol=1.433597e+07
assign (segid "   A" and resid    2 and name  HG1) (segid "   A" and resid    2 and name  HG2) 2.987 1.115 1.115 weight 1.000 ! spec=Noesy-2013, no=1508, id=1505, vol=6.661070e+05
assign (segid "   A" and resid   52 and name  HG1) (segid "   A" and resid   52 and name  HG2) 2.199 0.604 0.604 weight 1.000 ! spec=Noesy-2013, no=1509, id=1506, vol=4.766411e+06
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   34 and name  HG2) 3.153 1.243 1.243 weight 1.000 ! spec=Noesy-2013, no=1511, id=1508, vol=4.695730e+05
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   34 and name  HG2)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   34 and name  HG2)
assign (segid "   A" and resid   30 and name HG21) (segid "   A" and resid   34 and name  HG1) 2.543 0.808 0.808 weight 1.000 ! spec=Noesy-2013, no=1512, id=1509, vol=2.007662e+06
    or (segid "   A" and resid   30 and name HG23) (segid "   A" and resid   34 and name  HG1)
    or (segid "   A" and resid   30 and name HG22) (segid "   A" and resid   34 and name  HG1)
assign (segid "   A" and resid   16 and name HG12) (segid "   A" and resid   16 and name HG11) 2.253 0.635 0.635 weight 1.000 ! spec=Noesy-2013, no=1513, id=1510, vol=4.803198e+06
assign (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   64 and name  HB2) 2.575 0.829 0.829 weight 1.000 ! spec=Noesy-2013, no=1514, id=1511, vol=1.698813e+06
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   64 and name  HB2)
    or (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   64 and name   HG) 1.998 0.499 0.499 weight 1.000 ! spec=Noesy-2013, no=1515, id=1512, vol=9.308702e+06
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   64 and name   HG)
    or (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   64 and name   HG)
assign (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name HG11) 2.126 0.565 0.565 weight 1.000 ! spec=Noesy-2013, no=1517, id=1514, vol=6.364810e+06
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name HG11)
assign (segid "   A" and resid   82 and name HG23) (segid "   A" and resid   82 and name   HB) 2.307 0.665 0.665 weight 1.000 ! spec=Noesy-2013, no=1519, id=1516, vol=3.726042e+06
    or (segid "   A" and resid   82 and name HG22) (segid "   A" and resid   82 and name   HB)
    or (segid "   A" and resid   82 and name HG21) (segid "   A" and resid   82 and name   HB)
assign (segid "   A" and resid   82 and name HD11) (segid "   A" and resid   82 and name   HB) 2.587 0.837 0.837 weight 1.000 ! spec=Noesy-2013, no=1520, id=1517, vol=1.812107e+06
    or (segid "   A" and resid   82 and name HD13) (segid "   A" and resid   82 and name   HB)
    or (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   82 and name   HB)
assign (segid "   A" and resid   73 and name   HG) (segid "   A" and resid   72 and name  HB2) 3.053 3.053 2.947 weight 1.000 ! spec=Noesy-2013, no=1521, id=1518, vol=7.467950e+05
assign (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    1 and name  HB1) 2.577 0.830 0.830 weight 1.000 ! spec=Noesy-2013, no=1522, id=1519, vol=1.857858e+06
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    1 and name  HB1)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    1 and name  HB1)
assign (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   68 and name   HG) 2.284 0.652 0.652 weight 1.000 ! spec=Noesy-2013, no=1524, id=1521, vol=4.307542e+06
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   68 and name   HG)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   68 and name   HG)
assign (segid "   A" and resid   68 and name HD22) (segid "   A" and resid   26 and name  HB1) 2.563 0.821 0.821 weight 1.000 ! spec=Noesy-2013, no=1525, id=1522, vol=2.289169e+06
    or (segid "   A" and resid   68 and name HD22) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   68 and name HD22) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   68 and name HD21) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   68 and name HD23) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   27 and name  HB3) 1.966 0.483 0.483 weight 1.000 ! spec=Noesy-2013, no=1526, id=1523, vol=9.712978e+06
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   27 and name  HB2)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   27 and name  HB3)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   27 and name  HB2)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   27 and name  HB3)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   27 and name  HB1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   26 and name  HB1) 2.224 0.618 0.618 weight 1.000 ! spec=Noesy-2013, no=1527, id=1524, vol=4.986364e+06
    or (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   26 and name  HB1)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   82 and name HG12) (segid "   A" and resid   82 and name HG11) 2.281 0.651 0.651 weight 1.000 ! spec=Noesy-2013, no=1528, id=1525, vol=4.236707e+06
assign (segid "   A" and resid    9 and name HG13) (segid "   A" and resid    5 and name HG21) 2.386 2.386 3.614 weight 1.000 ! spec=Noesy-2013, no=1529, id=1526, vol=2.709855e+06
    or (segid "   A" and resid    9 and name HG13) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    9 and name HG13) (segid "   A" and resid    5 and name HG23)
    or (segid "   A" and resid    9 and name HG11) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    9 and name HG11) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    9 and name HG11) (segid "   A" and resid    5 and name HG23)
    or (segid "   A" and resid    9 and name HG12) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    9 and name HG12) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    9 and name HG12) (segid "   A" and resid    5 and name HG23)
assign (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    5 and name HG21) 2.433 0.740 0.740 weight 1.000 ! spec=Noesy-2013, no=1530, id=1527, vol=2.348527e+06
    or (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    1 and name HD13) (segid "   A" and resid    5 and name HG23)
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    1 and name HD12) (segid "   A" and resid    5 and name HG23)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    5 and name HG21)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    5 and name HG22)
    or (segid "   A" and resid    1 and name HD11) (segid "   A" and resid    5 and name HG23)
assign (segid "   A" and resid   82 and name HD11) (segid "   A" and resid   82 and name HG11) 2.044 0.522 0.522 weight 1.000 ! spec=Noesy-2013, no=1531, id=1528, vol=7.326580e+06
    or (segid "   A" and resid   82 and name HD13) (segid "   A" and resid   82 and name HG11)
    or (segid "   A" and resid   82 and name HD12) (segid "   A" and resid   82 and name HG11)
assign (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   61 and name HG12) 2.576 0.829 0.829 weight 1.000 ! spec=Noesy-2013, no=1532, id=1529, vol=1.803142e+06
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   61 and name HG12)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   61 and name HG12)
assign (segid "   A" and resid   61 and name HG22) (segid "   A" and resid   61 and name HG11) 2.933 1.076 1.076 weight 1.000 ! spec=Noesy-2013, no=1533, id=1530, vol=7.113750e+05
    or (segid "   A" and resid   61 and name HG21) (segid "   A" and resid   61 and name HG11)
    or (segid "   A" and resid   61 and name HG23) (segid "   A" and resid   61 and name HG11)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   61 and name HG12) 2.233 0.623 0.623 weight 1.000 ! spec=Noesy-2013, no=1534, id=1531, vol=4.759874e+06
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   61 and name HG12)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   61 and name HG12)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   61 and name HG11) 2.161 0.584 0.584 weight 1.000 ! spec=Noesy-2013, no=1535, id=1532, vol=5.641294e+06
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   61 and name HG11)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   61 and name HG11)
assign (segid "   A" and resid   73 and name HD13) (segid "   A" and resid   73 and name   HG) 2.165 0.586 0.586 weight 1.000 ! spec=Noesy-2013, no=1537, id=1534, vol=5.220525e+06
    or (segid "   A" and resid   73 and name HD11) (segid "   A" and resid   73 and name   HG)
    or (segid "   A" and resid   73 and name HD12) (segid "   A" and resid   73 and name   HG)
assign (segid "   A" and resid   73 and name HD13) (segid "   A" and resid   73 and name  HB1) 2.607 0.850 0.850 weight 1.000 ! spec=Noesy-2013, no=1538, id=1535, vol=1.733031e+06
    or (segid "   A" and resid   73 and name HD11) (segid "   A" and resid   73 and name  HB1)
    or (segid "   A" and resid   73 and name HD12) (segid "   A" and resid   73 and name  HB1)
assign (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name  HB1) 2.670 0.891 0.891 weight 1.000 ! spec=Noesy-2013, no=1539, id=1536, vol=1.786312e+06
assign (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name   HG) 3.415 1.457 1.457 weight 1.000 ! spec=Noesy-2013, no=1540, id=1537, vol=4.043530e+05
assign (segid "   A" and resid   73 and name HD23) (segid "   A" and resid   73 and name   HG) 2.474 0.765 0.765 weight 1.000 ! spec=Noesy-2013, no=1541, id=1538, vol=2.645521e+06
    or (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name   HG)
    or (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name   HG)
assign (segid "   A" and resid   73 and name HD23) (segid "   A" and resid   73 and name  HB1) 2.687 0.902 0.902 weight 1.000 ! spec=Noesy-2013, no=1542, id=1539, vol=1.615084e+06
    or (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name  HB1)
    or (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name  HB1)
assign (segid "   A" and resid   73 and name HD23) (segid "   A" and resid   73 and name HD13) 2.198 0.604 0.604 weight 1.000 ! spec=Noesy-2013, no=1543, id=1540, vol=5.178057e+06
    or (segid "   A" and resid   73 and name HD23) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   73 and name HD23) (segid "   A" and resid   73 and name HD12)
    or (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name HD13)
    or (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name HD12)
    or (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name HD13)
    or (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name HD12)
assign (segid "   A" and resid   73 and name HD23) (segid "   A" and resid   73 and name  HB2) 2.942 1.082 1.082 weight 1.000 ! spec=Noesy-2013, no=1544, id=1541, vol=9.482050e+05
    or (segid "   A" and resid   73 and name HD21) (segid "   A" and resid   73 and name  HB2)
    or (segid "   A" and resid   73 and name HD22) (segid "   A" and resid   73 and name  HB2)
assign (segid "   A" and resid   59 and name  HB2) (segid "   A" and resid   60 and name   HA) 3.864 1.866 1.866 weight 1.000 ! spec=Noesy-2013, no=1545, id=1542, vol=1.928760e+05
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   49 and name   HA) 3.556 1.580 1.580 weight 1.000 ! spec=Noesy-2013, no=1546, id=1543, vol=2.814240e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   77 and name   HA) 3.785 1.790 1.790 weight 1.000 ! spec=Noesy-2013, no=1548, id=1545, vol=1.989820e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   41 and name  HB1) 3.383 3.383 2.617 weight 1.000 ! spec=Noesy-2013, no=1549, id=1546, vol=3.832400e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   24 and name  HG1) 3.401 1.446 1.446 weight 1.000 ! spec=Noesy-2013, no=1550, id=1547, vol=4.091230e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.621 0.859 0.859 weight 1.000 ! spec=Noesy-2013, no=1551, id=1548, vol=1.671794e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HB) 2.231 0.622 0.622 weight 1.000 ! spec=Noesy-2013, no=1552, id=1549, vol=4.596954e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name  HG2) 3.486 1.519 1.519 weight 1.000 ! spec=Noesy-2013, no=1553, id=1550, vol=3.601740e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HB1) 2.736 2.736 3.264 weight 1.000 ! spec=Noesy-2013, no=1554, id=1551, vol=1.449285e+06
assign (segid "   A" and resid   76 and name  HZ3) (segid "   A" and resid   56 and name   HA) 3.638 1.655 1.655 weight 1.000 ! spec=Noesy-2013, no=1559, id=1556, vol=2.398940e+05
assign (segid "   A" and resid   76 and name  HE3) (segid "   A" and resid   56 and name   HA) 3.133 1.227 1.227 weight 1.000 ! spec=Noesy-2013, no=1560, id=1557, vol=6.213130e+05
assign (segid "   A" and resid   25 and name  HD2) (segid "   A" and resid   39 and name   HA) 3.264 1.331 1.331 weight 1.000 ! spec=Noesy-2013, no=1561, id=1558, vol=4.725200e+05
    or (segid "   A" and resid   25 and name  HD1) (segid "   A" and resid   39 and name   HA)
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   31 and name   HA) 3.657 1.672 1.672 weight 1.000 ! spec=Noesy-2013, no=1562, id=1559, vol=2.361650e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    8 and name   HA) 3.808 1.813 1.813 weight 1.000 ! spec=Noesy-2013, no=1563, id=1560, vol=1.928130e+05
assign (segid "   A" and resid   63 and name  HB2) (segid "   A" and resid   82 and name   HA) 3.691 1.703 1.703 weight 1.000 ! spec=Noesy-2013, no=1566, id=1563, vol=2.335440e+05
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   69 and name  HA2) 3.906 1.907 1.907 weight 1.000 ! spec=Noesy-2013, no=1567, id=1564, vol=1.704530e+05
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   69 and name  HA2) 3.831 1.834 1.834 weight 1.000 ! spec=Noesy-2013, no=1569, id=1566, vol=1.947490e+05
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   77 and name   HB) 3.756 1.763 1.763 weight 1.000 ! spec=Noesy-2013, no=1570, id=1567, vol=1.894660e+05
assign (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   72 and name  HD1) 3.746 1.754 1.754 weight 1.000 ! spec=Noesy-2013, no=1571, id=1568, vol=2.041770e+05
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   22 and name  HD2) 3.717 1.727 1.727 weight 1.000 ! spec=Noesy-2013, no=1572, id=1569, vol=2.051530e+05
assign (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   12 and name  HB1) 3.906 1.907 1.907 weight 1.000 ! spec=Noesy-2013, no=1573, id=1570, vol=1.768540e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   32 and name  HB1) 3.601 1.621 1.621 weight 1.000 ! spec=Noesy-2013, no=1574, id=1571, vol=2.789560e+05
assign (segid "   A" and resid   66 and name  HG1) (segid "   A" and resid   79 and name  HB2) 3.573 3.573 2.427 weight 1.000 ! spec=Noesy-2013, no=1576, id=1573, vol=2.820870e+05
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name  HE2) 3.613 1.632 1.632 weight 1.000 ! spec=Noesy-2013, no=1578, id=1575, vol=2.950910e+05
assign (segid "   A" and resid   52 and name  HB2) (segid "   A" and resid   52 and name  HE1) 3.505 1.536 1.536 weight 1.000 ! spec=Noesy-2013, no=1579, id=1576, vol=3.261350e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HB1) 1.990 0.495 0.495 weight 1.000 ! spec=Noesy-2013, no=1580, id=1577, vol=1.016606e+07
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HG2) 2.129 0.566 0.566 weight 1.000 ! spec=Noesy-2013, no=1581, id=1578, vol=6.627298e+06
assign (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name HD13) 3.680 1.693 1.693 weight 1.000 ! spec=Noesy-2013, no=1582, id=1579, vol=2.264270e+05
    or (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name HD11)
    or (segid "   A" and resid   73 and name  HB2) (segid "   A" and resid   73 and name HD12)
assign (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   64 and name   HG) 2.647 0.876 0.876 weight 1.000 ! spec=Noesy-2013, no=1583, id=1580, vol=1.297272e+06
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   64 and name   HG)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   64 and name   HG)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   60 and name  HB2) 3.641 1.657 1.657 weight 1.000 ! spec=Noesy-2013, no=1584, id=1581, vol=2.032330e+05
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   60 and name  HB2)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   60 and name  HB2)
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   15 and name  HB1) 3.749 1.757 1.757 weight 1.000 ! spec=Noesy-2013, no=1585, id=1582, vol=2.311890e+05
assign (segid "   A" and resid   37 and name HG23) (segid "   A" and resid   38 and name  HB1) 3.686 1.698 1.698 weight 1.000 ! spec=Noesy-2013, no=1586, id=1583, vol=2.121980e+05
    or (segid "   A" and resid   37 and name HG21) (segid "   A" and resid   38 and name  HB1)
    or (segid "   A" and resid   37 and name HG22) (segid "   A" and resid   38 and name  HB1)
assign (segid "   A" and resid   42 and name HG23) (segid "   A" and resid   28 and name  HB1) 3.688 1.701 1.701 weight 1.000 ! spec=Noesy-2013, no=1587, id=1584, vol=2.282370e+05
    or (segid "   A" and resid   42 and name HG22) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   42 and name HG21) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   73 and name HD13) (segid "   A" and resid   72 and name  HB1) 3.690 1.702 1.702 weight 1.000 ! spec=Noesy-2013, no=1591, id=1588, vol=2.173920e+05
    or (segid "   A" and resid   73 and name HD11) (segid "   A" and resid   72 and name  HB1)
    or (segid "   A" and resid   73 and name HD12) (segid "   A" and resid   72 and name  HB1)
assign (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name  HE1) 3.544 1.570 1.570 weight 1.000 ! spec=Noesy-2013, no=1592, id=1589, vol=2.865430e+05
assign (segid "   A" and resid   61 and name HG12) (segid "   A" and resid   58 and name  HB2) 3.492 1.524 1.524 weight 1.000 ! spec=Noesy-2013, no=1593, id=1590, vol=3.457870e+05
assign (segid "   A" and resid    9 and name HG23) (segid "   A" and resid    8 and name  HB1) 3.576 3.576 2.424 weight 1.000 ! spec=Noesy-2013, no=1594, id=1591, vol=2.604110e+05
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid    8 and name  HB1)
    or (segid "   A" and resid    9 and name HG21) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   47 and name  HB2) 3.944 1.944 1.944 weight 1.000 ! spec=Noesy-2013, no=1595, id=1592, vol=1.596650e+05
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   47 and name  HB2)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   47 and name  HB2)
assign (segid "   A" and resid   61 and name HD13) (segid "   A" and resid   58 and name  HB1) 3.734 1.743 1.743 weight 1.000 ! spec=Noesy-2013, no=1596, id=1593, vol=2.085710e+05
    or (segid "   A" and resid   61 and name HD11) (segid "   A" and resid   58 and name  HB1)
    or (segid "   A" and resid   61 and name HD12) (segid "   A" and resid   58 and name  HB1)
assign (segid "   A" and resid    9 and name HG23) (segid "   A" and resid   14 and name   HA) 3.666 1.680 1.680 weight 1.000 ! spec=Noesy-2013, no=1597, id=1594, vol=2.477850e+05
    or (segid "   A" and resid    9 and name HG22) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid    9 and name HG21) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   82 and name HG12) (segid "   A" and resid   82 and name   HA) 3.490 1.523 1.523 weight 1.000 ! spec=Noesy-2013, no=1598, id=1595, vol=3.264310e+05
assign (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   37 and name   HB) 3.629 1.646 1.646 weight 1.000 ! spec=Noesy-2013, no=1599, id=1596, vol=2.545030e+05
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   37 and name   HB)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   37 and name   HB)
assign (segid "   A" and resid    1 and name   HG) (segid "   A" and resid    5 and name   HB) 3.338 1.393 1.393 weight 1.000 ! spec=Noesy-2013, no=1600, id=1597, vol=4.638200e+05
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name   HA) 2.686 2.686 3.314 weight 1.000 ! spec=Noesy-2013, no=1601, id=1598, vol=1.665725e+06
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   30 and name   HB) 3.604 1.623 1.623 weight 1.000 ! spec=Noesy-2013, no=1602, id=1599, vol=2.722790e+05
assign (segid "   A" and resid   65 and name  HG1) (segid "   A" and resid   59 and name   HA) 3.627 3.627 2.373 weight 1.000 ! spec=Noesy-2013, no=1603, id=1600, vol=2.622770e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   23 and name   HA) 3.817 1.821 1.821 weight 1.000 ! spec=Noesy-2013, no=1604, id=1601, vol=1.781880e+05
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   29 and name  HA2) 3.703 1.714 1.714 weight 1.000 ! spec=Noesy-2013, no=1605, id=1602, vol=2.509020e+05
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid    8 and name   HA) 3.893 3.893 2.107 weight 1.000 ! spec=Noesy-2013, no=1606, id=1603, vol=1.488510e+05
assign (segid "   A" and resid   50 and name  HG1) (segid "   A" and resid   51 and name   HA) 3.707 1.717 1.717 weight 1.000 ! spec=Noesy-2013, no=1607, id=1604, vol=1.924250e+05
assign (segid "   A" and resid   50 and name  HG2) (segid "   A" and resid   51 and name   HA) 3.517 1.546 1.546 weight 1.000 ! spec=Noesy-2013, no=1608, id=1605, vol=3.238860e+05
assign (segid "   A" and resid   36 and name  HE1) (segid "   A" and resid   17 and name   HA) 3.764 1.771 1.771 weight 1.000 ! spec=Noesy-2013, no=1609, id=1606, vol=1.917940e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   68 and name   HA) 3.684 1.696 1.696 weight 1.000 ! spec=Noesy-2013, no=1610, id=1607, vol=2.445920e+05
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H1       LEU   1 -18.963   3.737  -3.158
    2    H2   LEU   1           H2       LEU   1 -19.078   4.939  -2.073
    3    H3   LEU   1           H3       LEU   1 -19.382   3.409  -1.619
    4    HA   LEU   1           HA       LEU   1 -17.238   4.097  -0.826
    5    HB2  LEU   1           HB2      LEU   1 -17.862   1.731  -1.896
    6    HB3  LEU   1           HB3      LEU   1 -16.665   2.226  -3.070
    7    HG   LEU   1           HG       LEU   1 -14.979   2.399  -1.341
    8   HD11  LEU   1          HD11      LEU   1 -16.366   3.029   0.546
    9   HD12  LEU   1          HD12      LEU   1 -15.449   1.576   0.926
   10   HD13  LEU   1          HD13      LEU   1 -17.157   1.455   0.515
   11   HD21  LEU   1          HD21      LEU   1 -14.810   0.004  -0.798
   12   HD22  LEU   1          HD22      LEU   1 -15.217   0.291  -2.488
   13   HD23  LEU   1          HD23      LEU   1 -16.469  -0.216  -1.355
   14    HA   PRO   2           HA       PRO   2 -14.970   7.017  -3.283
   15    HB2  PRO   2           HB2      PRO   2 -12.551   5.610  -2.261
   16    HB3  PRO   2           HB3      PRO   2 -12.959   7.329  -2.224
   17    HG2  PRO   2           HG2      PRO   2 -13.153   5.862  -0.020
   18    HG3  PRO   2           HG3      PRO   2 -14.386   7.090  -0.404
   19    HD2  PRO   2           HD2      PRO   2 -14.508   4.116  -0.701
   20    HD3  PRO   2           HD3      PRO   2 -15.767   5.242  -0.169
   21    H    ARG   3           H        ARG   3 -13.748   7.171  -5.153
   22    HA   ARG   3           HA       ARG   3 -14.543   5.434  -7.100
   23    HB2  ARG   3           HB2      ARG   3 -13.739   7.770  -7.406
   24    HB3  ARG   3           HB3      ARG   3 -12.089   7.189  -7.233
   25    HG2  ARG   3           HG2      ARG   3 -12.457   5.730  -9.211
   26    HG3  ARG   3           HG3      ARG   3 -14.040   6.488  -9.414
   27    HD2  ARG   3           HD2      ARG   3 -12.917   8.688  -9.573
   28    HD3  ARG   3           HD3      ARG   3 -11.361   7.866  -9.488
   29    HE   ARG   3           HE       ARG   3 -13.200   7.093 -11.619
   30   HH11  ARG   3          HH11      ARG   3 -10.275   8.750 -10.636
   31   HH12  ARG   3          HH12      ARG   3  -9.688   8.940 -12.257
   32   HH21  ARG   3          HH21      ARG   3 -12.429   7.331 -13.749
   33   HH22  ARG   3          HH22      ARG   3 -10.915   8.133 -14.029
   34    H    ASP   4           H        ASP   4 -11.427   5.358  -5.424
   35    HA   ASP   4           HA       ASP   4 -10.614   3.113  -7.159
   36    HB2  ASP   4           HB2      ASP   4  -8.901   5.003  -5.546
   37    HB3  ASP   4           HB3      ASP   4  -8.299   3.670  -6.522
   38    H    THR   5           H        THR   5 -11.957   3.486  -4.206
   39    HA   THR   5           HA       THR   5 -10.156   2.046  -2.554
   40    HB   THR   5           HB       THR   5 -13.137   2.421  -2.251
   41    HG1  THR   5           HG1      THR   5 -11.713   3.749  -0.448
   42   HG21  THR   5          HG21      THR   5 -12.335   0.464  -1.004
   43   HG22  THR   5          HG22      THR   5 -12.784   1.777   0.088
   44   HG23  THR   5          HG23      THR   5 -11.083   1.456  -0.256
   45    H    SER   6           H        SER   6 -13.162   0.999  -4.195
   46    HA   SER   6           HA       SER   6 -13.014  -1.681  -3.407
   47    HB2  SER   6           HB2      SER   6 -15.020  -0.603  -4.384
   48    HB3  SER   6           HB3      SER   6 -14.224  -0.602  -5.955
   49    HG   SER   6           HG       SER   6 -14.962  -2.544  -6.174
   50    H    ARG   7           H        ARG   7 -11.746   0.012  -6.203
   51    HA   ARG   7           HA       ARG   7 -10.494  -2.038  -7.594
   52    HB2  ARG   7           HB2      ARG   7 -10.461   0.023  -8.661
   53    HB3  ARG   7           HB3      ARG   7 -10.001   0.885  -7.203
   54    HG2  ARG   7           HG2      ARG   7  -7.772  -0.541  -7.559
   55    HG3  ARG   7           HG3      ARG   7  -8.318  -0.441  -9.237
   56    HD2  ARG   7           HD2      ARG   7  -8.437   1.987  -9.060
   57    HD3  ARG   7           HD3      ARG   7  -7.950   1.895  -7.365
   58    HE   ARG   7           HE       ARG   7  -6.004   0.620  -8.906
   59   HH11  ARG   7          HH11      ARG   7  -7.295   3.855  -8.526
   60   HH12  ARG   7          HH12      ARG   7  -5.771   4.626  -8.829
   61   HH21  ARG   7          HH21      ARG   7  -4.005   1.643  -9.329
   62   HH22  ARG   7          HH22      ARG   7  -3.905   3.376  -9.293
   63    H    CYS   8           H        CYS   8  -9.259  -0.038  -4.954
   64    HA   CYS   8           HA       CYS   8  -6.635  -1.085  -5.017
   65    HB2  CYS   8           HB2      CYS   8  -7.533   1.144  -4.080
   66    HB3  CYS   8           HB3      CYS   8  -7.870   0.215  -2.626
   67    H    VAL   9           H        VAL   9  -9.533  -2.014  -3.294
   68    HA   VAL   9           HA       VAL   9  -8.546  -3.467  -1.174
   69    HB   VAL   9           HB       VAL   9 -10.925  -4.160  -2.903
   70   HG11  VAL   9          HG11      VAL   9 -10.261  -6.082  -1.562
   71   HG12  VAL   9          HG12      VAL   9 -11.764  -5.391  -0.952
   72   HG13  VAL   9          HG13      VAL   9 -10.244  -5.082  -0.111
   73   HG21  VAL   9          HG21      VAL   9 -10.714  -2.568  -0.360
   74   HG22  VAL   9          HG22      VAL   9 -12.215  -2.999  -1.180
   75   HG23  VAL   9          HG23      VAL   9 -11.050  -1.937  -1.971
   76    H    GLY  10           H        GLY  10  -8.877  -4.504  -4.531
   77    HA2  GLY  10           HA2      GLY  10  -7.828  -7.142  -3.946
   78    HA3  GLY  10           HA3      GLY  10  -8.236  -6.509  -5.533
   79    H    TYR  11           H        TYR  11  -6.498  -4.079  -4.750
   80    HA   TYR  11           HA       TYR  11  -4.107  -5.246  -5.954
   81    HB2  TYR  11           HB2      TYR  11  -5.148  -2.445  -5.723
   82    HB3  TYR  11           HB3      TYR  11  -3.481  -2.774  -6.182
   83    HD1  TYR  11           HD1      TYR  11  -6.598  -2.075  -7.463
   84    HD2  TYR  11           HD2      TYR  11  -3.343  -4.737  -8.053
   85    HE1  TYR  11           HE1      TYR  11  -7.324  -2.432  -9.782
   86    HE2  TYR  11           HE2      TYR  11  -4.053  -5.105 -10.368
   87    HH   TYR  11           HH       TYR  11  -6.333  -3.142 -11.927
   88    H    HIS  12           H        HIS  12  -4.710  -2.729  -3.495
   89    HA   HIS  12           HA       HIS  12  -2.163  -3.535  -2.251
   90    HB2  HIS  12           HB2      HIS  12  -3.103  -0.691  -2.116
   91    HB3  HIS  12           HB3      HIS  12  -1.467  -1.331  -1.999
   92    HD1  HIS  12           HD1      HIS  12  -3.551   0.496  -4.212
   93    HD2  HIS  12           HD2      HIS  12  -0.620  -2.407  -4.695
   94    HE1  HIS  12           HE1      HIS  12  -2.841   0.653  -6.615
   95    HE2  HIS  12           HE2      HIS  12  -0.837  -0.874  -6.774
   96    H    GLY  13           H        GLY  13  -5.195  -3.952  -1.755
   97    HA2  GLY  13           HA2      GLY  13  -5.900  -4.831   0.344
   98    HA3  GLY  13           HA3      GLY  13  -4.855  -3.672   1.146
   99    H    TYR  14           H        TYR  14  -6.880  -3.414   2.431
  100    HA   TYR  14           HA       TYR  14  -9.120  -2.111   1.168
  101    HB2  TYR  14           HB2      TYR  14 -10.000  -1.911   3.480
  102    HB3  TYR  14           HB3      TYR  14  -9.544  -3.559   3.072
  103    HD1  TYR  14           HD1      TYR  14  -7.876  -4.707   4.314
  104    HD2  TYR  14           HD2      TYR  14  -8.532  -0.558   4.975
  105    HE1  TYR  14           HE1      TYR  14  -6.482  -4.812   6.336
  106    HE2  TYR  14           HE2      TYR  14  -7.137  -0.653   6.995
  107    HH   TYR  14           HH       TYR  14  -6.379  -2.275   8.615
  108    H    CYS  15           H        CYS  15  -9.861  -0.012   2.637
  109    HA   CYS  15           HA       CYS  15  -7.514   1.741   2.662
  110    HB2  CYS  15           HB2      CYS  15  -8.681   1.774   0.430
  111    HB3  CYS  15           HB3      CYS  15 -10.056   2.499   1.251
  112    H    ILE  16           H        ILE  16  -7.453   2.423   4.640
  113    HA   ILE  16           HA       ILE  16  -9.904   3.217   6.031
  114    HB   ILE  16           HB       ILE  16  -8.539   3.321   8.081
  115   HG12  ILE  16          HG12      ILE  16  -6.344   2.292   6.280
  116   HG13  ILE  16          HG13      ILE  16  -6.352   3.794   7.187
  117   HG21  ILE  16          HG21      ILE  16  -8.209   0.875   8.318
  118   HG22  ILE  16          HG22      ILE  16  -8.509   0.715   6.586
  119   HG23  ILE  16          HG23      ILE  16  -9.775   1.330   7.647
  120   HD11  ILE  16          HD11      ILE  16  -6.294   1.027   8.369
  121   HD12  ILE  16          HD12      ILE  16  -6.297   2.540   9.277
  122   HD13  ILE  16          HD13      ILE  16  -4.928   2.136   8.240
  123    H    ARG  17           H        ARG  17  -9.110   5.175   7.690
  124    HA   ARG  17           HA       ARG  17  -8.822   7.348   5.852
  125    HB2  ARG  17           HB2      ARG  17 -10.268   7.588   7.777
  126    HB3  ARG  17           HB3      ARG  17  -8.928   7.278   8.873
  127    HG2  ARG  17           HG2      ARG  17  -7.846   9.353   8.085
  128    HG3  ARG  17           HG3      ARG  17  -9.260   9.672   7.076
  129    HD2  ARG  17           HD2      ARG  17  -9.277   9.371  10.076
  130    HD3  ARG  17           HD3      ARG  17  -9.337  10.901   9.202
  131    HE   ARG  17           HE       ARG  17 -11.441   9.589   8.181
  132   HH11  ARG  17          HH11      ARG  17 -10.421  10.162  11.478
  133   HH12  ARG  17          HH12      ARG  17 -12.034  10.131  12.117
  134   HH21  ARG  17          HH21      ARG  17 -13.563   9.547   9.017
  135   HH22  ARG  17          HH22      ARG  17 -13.819   9.773  10.718
  136    H    SER  18           H        SER  18  -6.709   5.902   8.342
  137    HA   SER  18           HA       SER  18  -4.626   7.807   7.507
  138    HB2  SER  18           HB2      SER  18  -5.289   6.888  10.308
  139    HB3  SER  18           HB3      SER  18  -3.917   7.910   9.880
  140    HG   SER  18           HG       SER  18  -5.457   9.433   9.058
  141    H    LYS  19           H        LYS  19  -2.428   7.072   8.481
  142    HA   LYS  19           HA       LYS  19  -1.879   4.546   7.231
  143    HB2  LYS  19           HB2      LYS  19  -0.053   6.502   8.630
  144    HB3  LYS  19           HB3      LYS  19   0.469   5.137   7.656
  145    HG2  LYS  19           HG2      LYS  19   0.667   7.055   6.342
  146    HG3  LYS  19           HG3      LYS  19  -0.713   6.184   5.714
  147    HD2  LYS  19           HD2      LYS  19  -2.172   7.724   7.009
  148    HD3  LYS  19           HD3      LYS  19  -0.736   8.626   7.489
  149    HE2  LYS  19           HE2      LYS  19  -1.674   8.193   4.661
  150    HE3  LYS  19           HE3      LYS  19  -1.918   9.662   5.603
  151    HZ1  LYS  19           HZ1      LYS  19   0.491   9.859   5.731
  152    HZ2  LYS  19           HZ2      LYS  19  -0.030   9.901   4.193
  153    HZ3  LYS  19           HZ3      LYS  19   0.666   8.554   4.772
  154    H    VAL  20           H        VAL  20  -3.313   4.790   9.792
  155    HA   VAL  20           HA       VAL  20  -1.663   3.622  11.840
  156    HB   VAL  20           HB       VAL  20  -4.666   3.625  11.892
  157   HG11  VAL  20          HG11      VAL  20  -3.520   2.489  13.710
  158   HG12  VAL  20          HG12      VAL  20  -4.327   3.945  14.295
  159   HG13  VAL  20          HG13      VAL  20  -2.581   3.944  14.045
  160   HG21  VAL  20          HG21      VAL  20  -4.611   5.895  12.809
  161   HG22  VAL  20          HG22      VAL  20  -4.018   5.843  11.150
  162   HG23  VAL  20          HG23      VAL  20  -2.879   5.977  12.490
  163    H    CYS  21           H        CYS  21  -1.737   2.162   9.379
  164    HA   CYS  21           HA       CYS  21  -3.460  -0.027   9.351
  165    HB2  CYS  21           HB2      CYS  21  -0.600   0.089   8.382
  166    HB3  CYS  21           HB3      CYS  21  -1.851  -1.023   7.829
  167    HA   PRO  22           HA       PRO  22  -1.877  -2.509  12.728
  168    HB2  PRO  22           HB2      PRO  22  -3.223  -4.779  12.121
  169    HB3  PRO  22           HB3      PRO  22  -4.010  -3.381  12.863
  170    HG2  PRO  22           HG2      PRO  22  -3.980  -4.239   9.998
  171    HG3  PRO  22           HG3      PRO  22  -5.330  -3.624  10.970
  172    HD2  PRO  22           HD2      PRO  22  -3.945  -2.079   9.216
  173    HD3  PRO  22           HD3      PRO  22  -4.699  -1.432  10.686
  174    H    LYS  23           H        LYS  23  -1.134  -5.041  12.714
  175    HA   LYS  23           HA       LYS  23   0.666  -5.267  10.409
  176    HB2  LYS  23           HB2      LYS  23   2.210  -4.881  12.022
  177    HB3  LYS  23           HB3      LYS  23   1.146  -5.404  13.315
  178    HG2  LYS  23           HG2      LYS  23   2.293  -7.450  11.487
  179    HG3  LYS  23           HG3      LYS  23   3.319  -6.729  12.729
  180    HD2  LYS  23           HD2      LYS  23   1.754  -7.398  14.453
  181    HD3  LYS  23           HD3      LYS  23   0.646  -8.033  13.235
  182    HE2  LYS  23           HE2      LYS  23   1.919  -9.834  14.279
  183    HE3  LYS  23           HE3      LYS  23   2.334  -9.683  12.571
  184    HZ1  LYS  23           HZ1      LYS  23   4.282  -9.954  13.928
  185    HZ2  LYS  23           HZ2      LYS  23   3.920  -8.634  14.804
  186    HZ3  LYS  23           HZ3      LYS  23   4.302  -8.481  13.231
  187    HA   PRO  24           HA       PRO  24   1.891  -6.463   9.492
  188    HB2  PRO  24           HB2      PRO  24   2.220  -8.129   7.441
  189    HB3  PRO  24           HB3      PRO  24   2.786  -8.566   9.059
  190    HG2  PRO  24           HG2      PRO  24   0.339  -9.460   7.599
  191    HG3  PRO  24           HG3      PRO  24   1.426 -10.395   8.639
  192    HD2  PRO  24           HD2      PRO  24  -1.013  -9.286   9.418
  193    HD3  PRO  24           HD3      PRO  24   0.271  -9.817  10.519
  194    H    PHE  25           H        PHE  25   0.766  -4.648   8.788
  195    HA   PHE  25           HA       PHE  25  -0.366  -4.872   6.109
  196    HB2  PHE  25           HB2      PHE  25  -1.758  -3.604   8.468
  197    HB3  PHE  25           HB3      PHE  25  -2.154  -3.181   6.807
  198    HD1  PHE  25           HD1      PHE  25  -3.588  -4.507   5.550
  199    HD2  PHE  25           HD2      PHE  25  -2.017  -5.987   9.213
  200    HE1  PHE  25           HE1      PHE  25  -5.123  -6.425   5.425
  201    HE2  PHE  25           HE2      PHE  25  -3.560  -7.905   9.101
  202    HZ   PHE  25           HZ       PHE  25  -5.105  -8.120   7.197
  203    H    ALA  26           H        ALA  26   0.221  -3.252   4.809
  204    HA   ALA  26           HA       ALA  26   1.958  -1.221   6.045
  205    HB1  ALA  26           HB1      ALA  26   1.993  -2.142   3.177
  206    HB2  ALA  26           HB2      ALA  26   3.007  -2.838   4.442
  207    HB3  ALA  26           HB3      ALA  26   3.188  -1.138   3.997
  208    H    ALA  27           H        ALA  27   1.392   0.860   5.911
  209    HA   ALA  27           HA       ALA  27  -0.846   1.865   4.590
  210    HB1  ALA  27           HB1      ALA  27   0.261   3.063   6.398
  211    HB2  ALA  27           HB2      ALA  27   0.204   4.068   4.949
  212    HB3  ALA  27           HB3      ALA  27   1.704   3.263   5.405
  213    H    PHE  28           H        PHE  28  -0.909   1.109   2.516
  214    HA   PHE  28           HA       PHE  28   1.357   1.513   0.752
  215    HB2  PHE  28           HB2      PHE  28  -0.756  -0.374   0.953
  216    HB3  PHE  28           HB3      PHE  28  -0.964   0.463  -0.573
  217    HD1  PHE  28           HD1      PHE  28   1.341   0.791  -1.899
  218    HD2  PHE  28           HD2      PHE  28   0.498  -2.263   0.936
  219    HE1  PHE  28           HE1      PHE  28   3.084  -0.622  -2.908
  220    HE2  PHE  28           HE2      PHE  28   2.235  -3.682  -0.065
  221    HZ   PHE  28           HZ       PHE  28   3.536  -2.860  -1.988
  222    H    GLY  29           H        GLY  29   1.358   3.731   0.661
  223    HA2  GLY  29           HA2      GLY  29   0.777   5.826  -0.054
  224    HA3  GLY  29           HA3      GLY  29   0.226   4.979  -1.482
  225    H    THR  30           H        THR  30  -1.619   5.790  -2.023
  226    HA   THR  30           HA       THR  30  -3.774   5.843  -0.035
  227    HB   THR  30           HB       THR  30  -4.646   7.925  -1.099
  228    HG1  THR  30           HG1      THR  30  -2.715   7.354  -2.888
  229   HG21  THR  30          HG21      THR  30  -1.860   8.037   0.059
  230   HG22  THR  30          HG22      THR  30  -3.392   8.246   0.911
  231   HG23  THR  30          HG23      THR  30  -2.845   9.468  -0.235
  232    H    CYS  31           H        CYS  31  -5.834   5.271  -0.918
  233    HA   CYS  31           HA       CYS  31  -5.594   3.685  -3.321
  234    HB2  CYS  31           HB2      CYS  31  -7.933   3.012  -2.830
  235    HB3  CYS  31           HB3      CYS  31  -6.843   2.752  -1.473
  236    H    SER  32           H        SER  32  -8.146   5.979  -2.372
  237    HA   SER  32           HA       SER  32  -8.257   6.851  -5.176
  238    HB2  SER  32           HB2      SER  32 -10.292   5.702  -4.062
  239    HB3  SER  32           HB3      SER  32 -10.479   7.211  -3.172
  240    HG   SER  32           HG       SER  32 -10.200   7.283  -5.971
  241    H    TRP  33           H        TRP  33  -9.286   8.187  -2.046
  242    HA   TRP  33           HA       TRP  33  -8.230  10.785  -2.820
  243    HB2  TRP  33           HB2      TRP  33  -9.458  10.180  -0.141
  244    HB3  TRP  33           HB3      TRP  33  -9.450  11.692  -1.032
  245    HD1  TRP  33           HD1      TRP  33 -11.979   9.837   0.197
  246    HE1  TRP  33           HE1      TRP  33 -13.996   9.489  -1.361
  247    HE3  TRP  33           HE3      TRP  33  -9.758  10.944  -4.268
  248    HZ2  TRP  33           HZ2      TRP  33 -14.565   9.661  -4.107
  249    HZ3  TRP  33           HZ3      TRP  33 -11.123  10.828  -6.317
  250    HH2  TRP  33           HH2      TRP  33 -13.466  10.204  -6.237
  251    H    ARG  34           H        ARG  34  -6.584  11.830  -1.667
  252    HA   ARG  34           HA       ARG  34  -4.578  10.193  -0.511
  253    HB2  ARG  34           HB2      ARG  34  -4.190  12.379  -1.679
  254    HB3  ARG  34           HB3      ARG  34  -4.895  13.193  -0.292
  255    HG2  ARG  34           HG2      ARG  34  -2.620  11.346   0.135
  256    HG3  ARG  34           HG3      ARG  34  -2.315  12.935  -0.545
  257    HD2  ARG  34           HD2      ARG  34  -3.347  13.979   1.391
  258    HD3  ARG  34           HD3      ARG  34  -3.739  12.393   2.055
  259    HE   ARG  34           HE       ARG  34  -0.928  12.935   1.519
  260   HH11  ARG  34          HH11      ARG  34  -3.501  12.816   3.887
  261   HH12  ARG  34          HH12      ARG  34  -2.422  12.679   5.236
  262   HH21  ARG  34          HH21      ARG  34   0.490  12.747   3.277
  263   HH22  ARG  34          HH22      ARG  34  -0.144  12.632   4.889
  264    H    GLN  35           H        GLN  35  -7.232  11.961   0.645
  265    HA   GLN  35           HA       GLN  35  -6.842  12.271   3.334
  266    HB2  GLN  35           HB2      GLN  35  -9.419  11.331   2.070
  267    HB3  GLN  35           HB3      GLN  35  -9.245  12.214   3.581
  268    HG2  GLN  35           HG2      GLN  35  -8.270  14.089   2.277
  269    HG3  GLN  35           HG3      GLN  35  -8.685  13.217   0.810
  270   HE21  GLN  35          HE21      GLN  35 -10.820  13.057   0.182
  271   HE22  GLN  35          HE22      GLN  35 -12.077  14.007   0.894
  272    H    LYS  36           H        LYS  36  -7.383   9.290   1.618
  273    HA   LYS  36           HA       LYS  36  -7.376   7.859   4.196
  274    HB2  LYS  36           HB2      LYS  36  -8.409   5.974   2.796
  275    HB3  LYS  36           HB3      LYS  36  -9.427   7.341   3.204
  276    HG2  LYS  36           HG2      LYS  36  -8.752   8.299   0.945
  277    HG3  LYS  36           HG3      LYS  36  -8.127   6.687   0.601
  278    HD2  LYS  36           HD2      LYS  36 -10.338   6.927  -0.310
  279    HD3  LYS  36           HD3      LYS  36 -10.346   5.755   1.007
  280    HE2  LYS  36           HE2      LYS  36 -11.034   8.602   1.569
  281    HE3  LYS  36           HE3      LYS  36 -12.231   7.565   0.794
  282    HZ1  LYS  36           HZ1      LYS  36 -11.929   6.045   2.686
  283    HZ2  LYS  36           HZ2      LYS  36 -12.539   7.484   3.119
  284    HZ3  LYS  36           HZ3      LYS  36 -10.983   7.150   3.417
  285    H    THR  37           H        THR  37  -6.462   5.629   4.041
  286    HA   THR  37           HA       THR  37  -4.042   5.604   2.348
  287    HB   THR  37           HB       THR  37  -4.292   4.586   5.193
  288    HG1  THR  37           HG1      THR  37  -4.226   7.003   4.641
  289   HG21  THR  37          HG21      THR  37  -1.859   4.891   3.422
  290   HG22  THR  37          HG22      THR  37  -2.636   3.365   3.843
  291   HG23  THR  37          HG23      THR  37  -1.859   4.332   5.095
  292    H    CYS  38           H        CYS  38  -3.538   3.642   1.374
  293    HA   CYS  38           HA       CYS  38  -5.596   1.583   1.543
  294    HB2  CYS  38           HB2      CYS  38  -4.518   2.498  -0.631
  295    HB3  CYS  38           HB3      CYS  38  -3.132   1.508  -0.195
  296    H    CYS  39           H        CYS  39  -5.182  -0.497   2.363
  297    HA   CYS  39           HA       CYS  39  -2.544  -0.935   3.564
  298    HB2  CYS  39           HB2      CYS  39  -5.155  -1.111   5.075
  299    HB3  CYS  39           HB3      CYS  39  -3.579  -1.582   5.699
  300    H    VAL  40           H        VAL  40  -1.881  -2.842   2.858
  301    HA   VAL  40           HA       VAL  40  -3.891  -4.982   2.588
  302    HB   VAL  40           HB       VAL  40  -2.836  -4.110   0.450
  303   HG11  VAL  40          HG11      VAL  40  -0.560  -3.881   1.218
  304   HG12  VAL  40          HG12      VAL  40  -0.655  -4.950  -0.181
  305   HG13  VAL  40          HG13      VAL  40  -0.444  -5.626   1.436
  306   HG21  VAL  40          HG21      VAL  40  -2.608  -7.044   1.071
  307   HG22  VAL  40          HG22      VAL  40  -2.653  -6.335  -0.549
  308   HG23  VAL  40          HG23      VAL  40  -4.049  -6.190   0.518
  309    H    ASP  41           H        ASP  41  -3.305  -7.075   3.213
  310    HA   ASP  41           HA       ASP  41  -1.623  -7.281   5.479
  311    HB2  ASP  41           HB2      ASP  41  -3.542  -8.747   5.177
  312    HB3  ASP  41           HB3      ASP  41  -2.833  -9.414   3.718
  313    H    THR  42           H        THR  42   0.411  -6.660   4.985
  314    HA   THR  42           HA       THR  42   1.689  -7.615   2.591
  315    HB   THR  42           HB       THR  42   3.574  -6.119   3.403
  316    HG1  THR  42           HG1      THR  42   2.388  -6.290   5.666
  317   HG21  THR  42          HG21      THR  42   2.268  -4.028   2.968
  318   HG22  THR  42          HG22      THR  42   0.797  -4.990   3.029
  319   HG23  THR  42          HG23      THR  42   1.999  -5.292   1.777
  320    H    THR  43           H        THR  43   1.877  -9.833   3.041
  321    HA   THR  43           HA       THR  43   3.852 -10.524   5.102
  322    HB   THR  43           HB       THR  43   2.861 -12.905   4.583
  323    HG1  THR  43           HG1      THR  43   0.472 -11.481   4.179
  324   HG21  THR  43          HG21      THR  43   1.366 -10.815   6.151
  325   HG22  THR  43          HG22      THR  43   2.733 -11.764   6.733
  326   HG23  THR  43          HG23      THR  43   1.208 -12.558   6.347
  327    H    SER  44           H        SER  44   2.793 -12.118   2.089
  328    HA   SER  44           HA       SER  44   5.528 -13.075   1.791
  329    HB2  SER  44           HB2      SER  44   3.014 -13.905   0.344
  330    HB3  SER  44           HB3      SER  44   4.572 -14.728   0.272
  331    HG   SER  44           HG       SER  44   2.831 -15.449   1.858
  332    H    ASP  45           H        ASP  45   3.136 -12.186  -0.714
  333    HA   ASP  45           HA       ASP  45   5.343 -11.433  -2.456
  334    HB2  ASP  45           HB2      ASP  45   3.684 -11.467  -4.254
  335    HB3  ASP  45           HB3      ASP  45   3.632 -12.963  -3.329
  336    H    PHE  46           H        PHE  46   3.485  -9.965  -0.292
  337    HA   PHE  46           HA       PHE  46   2.412  -7.735  -1.634
  338    HB2  PHE  46           HB2      PHE  46   2.902  -8.245   1.287
  339    HB3  PHE  46           HB3      PHE  46   1.928  -6.923   0.642
  340    HD1  PHE  46           HD1      PHE  46   2.151 -10.544   1.127
  341    HD2  PHE  46           HD2      PHE  46  -0.246  -7.327  -0.287
  342    HE1  PHE  46           HE1      PHE  46   0.210 -12.042   1.033
  343    HE2  PHE  46           HE2      PHE  46  -2.201  -8.821  -0.380
  344    HZ   PHE  46           HZ       PHE  46  -1.974 -11.183   0.280
  345    H    HIS  47           H        HIS  47   5.571  -8.349  -1.042
  346    HA   HIS  47           HA       HIS  47   6.803  -5.960  -0.375
  347    HB2  HIS  47           HB2      HIS  47   7.643  -7.888  -2.554
  348    HB3  HIS  47           HB3      HIS  47   8.668  -6.651  -1.848
  349    HD1  HIS  47           HD1      HIS  47   8.713  -7.033   1.023
  350    HD2  HIS  47           HD2      HIS  47   8.207 -10.280  -1.519
  351    HE1  HIS  47           HE1      HIS  47   9.409  -9.044   2.351
  352    HE2  HIS  47           HE2      HIS  47   9.274 -10.965   0.734
  353    H    THR  48           H        THR  48   4.460  -6.065  -2.491
  354    HA   THR  48           HA       THR  48   4.917  -5.169  -4.974
  355    HB   THR  48           HB       THR  48   2.747  -4.194  -3.174
  356    HG1  THR  48           HG1      THR  48   1.956  -6.388  -4.369
  357   HG21  THR  48          HG21      THR  48   2.782  -4.809  -6.127
  358   HG22  THR  48          HG22      THR  48   2.620  -3.217  -5.377
  359   HG23  THR  48          HG23      THR  48   1.335  -4.415  -5.198
  360    H    CYS  49           H        CYS  49   6.095  -3.382  -2.479
  361    HA   CYS  49           HA       CYS  49   5.465  -0.779  -2.599
  362    HB2  CYS  49           HB2      CYS  49   7.386  -0.464  -1.488
  363    HB3  CYS  49           HB3      CYS  49   7.581  -2.202  -1.623
  364    H    GLN  50           H        GLN  50   7.376  -2.400  -5.135
  365    HA   GLN  50           HA       GLN  50   8.154  -0.075  -6.483
  366    HB2  GLN  50           HB2      GLN  50   8.563  -1.562  -8.423
  367    HB3  GLN  50           HB3      GLN  50   9.301  -2.118  -6.936
  368    HG2  GLN  50           HG2      GLN  50   6.659  -3.177  -7.875
  369    HG3  GLN  50           HG3      GLN  50   8.186  -3.839  -8.453
  370   HE21  GLN  50          HE21      GLN  50   6.125  -5.151  -6.916
  371   HE22  GLN  50          HE22      GLN  50   6.879  -5.684  -5.448
  372    H    ASP  51           H        ASP  51   5.094  -1.672  -6.416
  373    HA   ASP  51           HA       ASP  51   4.041  -0.754  -8.884
  374    HB2  ASP  51           HB2      ASP  51   2.950  -2.505  -7.530
  375    HB3  ASP  51           HB3      ASP  51   2.588  -1.317  -6.281
  376    H    LYS  52           H        LYS  52   4.365   0.659  -5.724
  377    HA   LYS  52           HA       LYS  52   2.862   3.044  -6.421
  378    HB2  LYS  52           HB2      LYS  52   4.472   2.358  -3.958
  379    HB3  LYS  52           HB3      LYS  52   3.475   3.788  -4.140
  380    HG2  LYS  52           HG2      LYS  52   2.472   0.958  -4.217
  381    HG3  LYS  52           HG3      LYS  52   2.408   2.029  -2.818
  382    HD2  LYS  52           HD2      LYS  52   1.155   2.788  -5.438
  383    HD3  LYS  52           HD3      LYS  52   0.297   1.802  -4.258
  384    HE2  LYS  52           HE2      LYS  52  -0.403   3.965  -3.773
  385    HE3  LYS  52           HE3      LYS  52   0.862   3.658  -2.590
  386    HZ1  LYS  52           HZ1      LYS  52   2.317   5.045  -3.732
  387    HZ2  LYS  52           HZ2      LYS  52   0.906   5.853  -3.778
  388    HZ3  LYS  52           HZ3      LYS  52   1.419   5.054  -5.094
  389    H    GLY  53           H        GLY  53   5.732   1.969  -7.335
  390    HA2  GLY  53           HA2      GLY  53   7.636   2.996  -8.129
  391    HA3  GLY  53           HA3      GLY  53   6.925   4.548  -7.699
  392    H    GLY  54           H        GLY  54   7.621   1.712  -5.693
  393    HA2  GLY  54           HA2      GLY  54   8.634   3.139  -3.520
  394    HA3  GLY  54           HA3      GLY  54   8.961   1.442  -3.848
  395    H    HIS  55           H        HIS  55  10.441   4.205  -3.215
  396    HA   HIS  55           HA       HIS  55  12.436   4.185  -5.326
  397    HB2  HIS  55           HB2      HIS  55  11.996   5.964  -2.931
  398    HB3  HIS  55           HB3      HIS  55  13.413   6.102  -3.963
  399    HD1  HIS  55           HD1      HIS  55  13.188   7.656  -5.880
  400    HD2  HIS  55           HD2      HIS  55   9.490   6.366  -4.472
  401    HE1  HIS  55           HE1      HIS  55  11.479   8.993  -7.147
  402    HE2  HIS  55           HE2      HIS  55   9.260   8.050  -6.431
  403    H    CYS  56           H        CYS  56  14.760   4.427  -4.584
  404    HA   CYS  56           HA       CYS  56  15.313   2.543  -2.402
  405    HB2  CYS  56           HB2      CYS  56  16.581   2.676  -5.141
  406    HB3  CYS  56           HB3      CYS  56  17.292   1.793  -3.792
  407    H    VAL  57           H        VAL  57  16.438   3.493  -0.855
  408    HA   VAL  57           HA       VAL  57  18.170   5.736  -1.635
  409    HB   VAL  57           HB       VAL  57  17.637   6.875   0.428
  410   HG11  VAL  57          HG11      VAL  57  16.236   7.309  -1.499
  411   HG12  VAL  57          HG12      VAL  57  15.313   7.450  -0.002
  412   HG13  VAL  57          HG13      VAL  57  15.144   6.013  -1.011
  413   HG21  VAL  57          HG21      VAL  57  15.877   6.072   1.943
  414   HG22  VAL  57          HG22      VAL  57  17.266   4.986   1.899
  415   HG23  VAL  57          HG23      VAL  57  15.792   4.568   1.024
  416    H    SER  58           H        SER  58  20.149   5.778  -0.898
  417    HA   SER  58           HA       SER  58  21.266   3.467   0.316
  418    HB2  SER  58           HB2      SER  58  23.271   5.274   0.237
  419    HB3  SER  58           HB3      SER  58  22.751   4.368  -1.167
  420    HG   SER  58           HG       SER  58  22.905   6.671  -1.493
  421    HA   PRO  59           HA       PRO  59  21.053   4.324   4.573
  422    HB2  PRO  59           HB2      PRO  59  23.697   3.932   5.355
  423    HB3  PRO  59           HB3      PRO  59  22.464   2.682   5.189
  424    HG2  PRO  59           HG2      PRO  59  24.624   3.477   3.302
  425    HG3  PRO  59           HG3      PRO  59  23.960   1.871   3.640
  426    HD2  PRO  59           HD2      PRO  59  23.329   3.218   1.403
  427    HD3  PRO  59           HD3      PRO  59  22.151   2.184   2.233
  428    H    LYS  60           H        LYS  60  22.903   6.387   2.619
  429    HA   LYS  60           HA       LYS  60  23.463   8.207   4.849
  430    HB2  LYS  60           HB2      LYS  60  24.773   9.517   3.288
  431    HB3  LYS  60           HB3      LYS  60  25.271   7.835   3.204
  432    HG2  LYS  60           HG2      LYS  60  24.219   7.521   1.119
  433    HG3  LYS  60           HG3      LYS  60  23.305   9.021   1.268
  434    HD2  LYS  60           HD2      LYS  60  25.131   9.305  -0.307
  435    HD3  LYS  60           HD3      LYS  60  25.401  10.297   1.124
  436    HE2  LYS  60           HE2      LYS  60  27.475   9.264   0.501
  437    HE3  LYS  60           HE3      LYS  60  26.910   8.526   1.998
  438    HZ1  LYS  60           HZ1      LYS  60  27.663   6.848   0.518
  439    HZ2  LYS  60           HZ2      LYS  60  26.716   7.373  -0.692
  440    HZ3  LYS  60           HZ3      LYS  60  26.046   6.709   0.629
  441    H    ILE  61           H        ILE  61  21.007   7.577   2.668
  442    HA   ILE  61           HA       ILE  61  20.300  10.314   2.041
  443    HB   ILE  61           HB       ILE  61  18.698   7.784   1.634
  444   HG12  ILE  61          HG12      ILE  61  20.960   7.880   0.513
  445   HG13  ILE  61          HG13      ILE  61  19.588   7.631  -0.558
  446   HG21  ILE  61          HG21      ILE  61  17.472   9.087  -0.042
  447   HG22  ILE  61          HG22      ILE  61  18.414  10.513   0.387
  448   HG23  ILE  61          HG23      ILE  61  17.327   9.789   1.569
  449   HD11  ILE  61          HD11      ILE  61  21.162   9.158  -1.539
  450   HD12  ILE  61          HD12      ILE  61  21.087  10.203  -0.119
  451   HD13  ILE  61          HD13      ILE  61  19.669  10.013  -1.151
  452    H    ARG  62           H        ARG  62  18.671  11.489   2.939
  453    HA   ARG  62           HA       ARG  62  17.469  10.357   5.369
  454    HB2  ARG  62           HB2      ARG  62  17.938  13.230   4.559
  455    HB3  ARG  62           HB3      ARG  62  16.958  12.767   5.943
  456    HG2  ARG  62           HG2      ARG  62  19.042  13.256   6.854
  457    HG3  ARG  62           HG3      ARG  62  19.011  11.495   6.752
  458    HD2  ARG  62           HD2      ARG  62  21.160  12.315   6.004
  459    HD3  ARG  62           HD3      ARG  62  20.283  11.621   4.642
  460    HE   ARG  62           HE       ARG  62  19.892  14.447   4.891
  461   HH11  ARG  62          HH11      ARG  62  22.034  11.978   3.619
  462   HH12  ARG  62          HH12      ARG  62  22.739  13.032   2.430
  463   HH21  ARG  62          HH21      ARG  62  20.823  15.825   3.329
  464   HH22  ARG  62          HH22      ARG  62  22.049  15.216   2.265
  465    H    CYS  63           H        CYS  63  15.858   9.268   4.388
  466    HA   CYS  63           HA       CYS  63  13.688  10.878   3.247
  467    HB2  CYS  63           HB2      CYS  63  14.797   9.817   1.375
  468    HB3  CYS  63           HB3      CYS  63  14.782   8.264   2.197
  469    H    LEU  64           H        LEU  64  11.564  10.009   3.607
  470    HA   LEU  64           HA       LEU  64  11.351   8.415   5.978
  471    HB2  LEU  64           HB2      LEU  64   9.371   9.540   4.050
  472    HB3  LEU  64           HB3      LEU  64   8.869   8.351   5.236
  473    HG   LEU  64           HG       LEU  64   9.798   9.870   7.015
  474   HD11  LEU  64          HD11      LEU  64  10.123  12.214   6.463
  475   HD12  LEU  64          HD12      LEU  64   9.883  11.856   4.753
  476   HD13  LEU  64          HD13      LEU  64  11.277  11.192   5.606
  477   HD21  LEU  64          HD21      LEU  64   7.434   9.699   6.575
  478   HD22  LEU  64          HD22      LEU  64   7.560  10.911   5.300
  479   HD23  LEU  64          HD23      LEU  64   7.867  11.358   6.979
  480    H    GLU  65           H        GLU  65  12.442   6.592   5.489
  481    HA   GLU  65           HA       GLU  65  11.802   5.081   3.125
  482    HB2  GLU  65           HB2      GLU  65  13.624   3.507   4.076
  483    HB3  GLU  65           HB3      GLU  65  14.079   5.061   3.407
  484    HG2  GLU  65           HG2      GLU  65  15.349   4.671   5.378
  485    HG3  GLU  65           HG3      GLU  65  14.209   5.963   5.712
  486    H    GLU  66           H        GLU  66  11.805   2.659   3.358
  487    HA   GLU  66           HA       GLU  66  11.015   0.701   4.176
  488    HB2  GLU  66           HB2      GLU  66   9.733   2.263   6.416
  489    HB3  GLU  66           HB3      GLU  66   9.733   0.509   6.253
  490    HG2  GLU  66           HG2      GLU  66  12.375   1.045   6.052
  491    HG3  GLU  66           HG3      GLU  66  11.849   2.328   7.140
  492    H    GLN  67           H        GLN  67  10.059   1.072   2.133
  493    HA   GLN  67           HA       GLN  67   7.169   1.438   2.161
  494    HB2  GLN  67           HB2      GLN  67   9.098   1.964   0.286
  495    HB3  GLN  67           HB3      GLN  67   8.503   0.414  -0.268
  496    HG2  GLN  67           HG2      GLN  67   6.723   2.776   0.256
  497    HG3  GLN  67           HG3      GLN  67   7.461   2.451  -1.304
  498   HE21  GLN  67          HE21      GLN  67   5.599   2.159  -2.406
  499   HE22  GLN  67          HE22      GLN  67   4.535   0.811  -2.155
  500    H    LEU  68           H        LEU  68   9.157  -1.005   0.544
  501    HA   LEU  68           HA       LEU  68   8.545  -3.207   2.147
  502    HB2  LEU  68           HB2      LEU  68   6.513  -2.500   0.160
  503    HB3  LEU  68           HB3      LEU  68   7.086  -4.150   0.020
  504    HG   LEU  68           HG       LEU  68   6.243  -3.111   2.679
  505   HD11  LEU  68          HD11      LEU  68   4.433  -2.499   1.202
  506   HD12  LEU  68          HD12      LEU  68   3.968  -3.850   2.233
  507   HD13  LEU  68          HD13      LEU  68   4.398  -4.137   0.549
  508   HD21  LEU  68          HD21      LEU  68   5.679  -5.410   3.097
  509   HD22  LEU  68          HD22      LEU  68   7.335  -5.305   2.500
  510   HD23  LEU  68          HD23      LEU  68   6.041  -5.833   1.425
  511    H    GLY  69           H        GLY  69   9.652  -5.024   1.477
  512    HA2  GLY  69           HA2      GLY  69  10.700  -6.455  -0.036
  513    HA3  GLY  69           HA3      GLY  69  10.478  -5.248  -1.292
  514    H    LEU  70           H        LEU  70  12.795  -6.368  -1.424
  515    HA   LEU  70           HA       LEU  70  14.681  -4.607  -0.020
  516    HB2  LEU  70           HB2      LEU  70  14.675  -7.342  -0.170
  517    HB3  LEU  70           HB3      LEU  70  15.749  -6.920  -1.488
  518    HG   LEU  70           HG       LEU  70  16.101  -6.102   1.399
  519   HD11  LEU  70          HD11      LEU  70  17.592  -8.100  -0.295
  520   HD12  LEU  70          HD12      LEU  70  16.500  -8.471   1.039
  521   HD13  LEU  70          HD13      LEU  70  18.015  -7.623   1.350
  522   HD21  LEU  70          HD21      LEU  70  18.283  -5.264   0.701
  523   HD22  LEU  70          HD22      LEU  70  16.985  -4.417  -0.141
  524   HD23  LEU  70          HD23      LEU  70  17.911  -5.664  -0.976
  525    H    CYS  71           H        CYS  71  15.901  -3.263  -1.152
  526    HA   CYS  71           HA       CYS  71  15.407  -2.817  -3.926
  527    HB2  CYS  71           HB2      CYS  71  17.160  -1.562  -1.841
  528    HB3  CYS  71           HB3      CYS  71  17.346  -1.122  -3.536
  529    HA   PRO  72           HA       PRO  72  18.624  -4.946  -6.175
  530    HB2  PRO  72           HB2      PRO  72  19.789  -2.216  -6.618
  531    HB3  PRO  72           HB3      PRO  72  19.566  -3.544  -7.773
  532    HG2  PRO  72           HG2      PRO  72  17.866  -1.503  -7.732
  533    HG3  PRO  72           HG3      PRO  72  17.283  -3.160  -7.971
  534    HD2  PRO  72           HD2      PRO  72  17.060  -1.402  -5.587
  535    HD3  PRO  72           HD3      PRO  72  15.985  -2.702  -6.138
  536    H    LEU  73           H        LEU  73  20.026  -2.119  -4.454
  537    HA   LEU  73           HA       LEU  73  22.346  -3.616  -3.649
  538    HB2  LEU  73           HB2      LEU  73  21.309  -0.968  -2.663
  539    HB3  LEU  73           HB3      LEU  73  22.825  -1.673  -2.180
  540    HG   LEU  73           HG       LEU  73  23.509  -0.144  -3.729
  541   HD11  LEU  73          HD11      LEU  73  24.205  -1.299  -5.725
  542   HD12  LEU  73          HD12      LEU  73  23.008  -2.563  -5.442
  543   HD13  LEU  73          HD13      LEU  73  24.354  -2.355  -4.319
  544   HD21  LEU  73          HD21      LEU  73  21.045  -0.774  -5.331
  545   HD22  LEU  73          HD22      LEU  73  22.348   0.274  -5.889
  546   HD23  LEU  73          HD23      LEU  73  21.424   0.712  -4.454
  547    H    LYS  74           H        LYS  74  22.902  -3.812  -1.315
  548    HA   LYS  74           HA       LYS  74  20.616  -5.240  -0.170
  549    HB2  LYS  74           HB2      LYS  74  23.573  -5.582   0.320
  550    HB3  LYS  74           HB3      LYS  74  22.309  -6.551   1.066
  551    HG2  LYS  74           HG2      LYS  74  22.942  -6.392  -1.873
  552    HG3  LYS  74           HG3      LYS  74  23.287  -7.744  -0.793
  553    HD2  LYS  74           HD2      LYS  74  20.875  -8.024  -0.401
  554    HD3  LYS  74           HD3      LYS  74  20.549  -6.695  -1.513
  555    HE2  LYS  74           HE2      LYS  74  20.239  -8.844  -2.612
  556    HE3  LYS  74           HE3      LYS  74  21.577  -7.954  -3.331
  557    HZ1  LYS  74           HZ1      LYS  74  21.917 -10.060  -1.323
  558    HZ2  LYS  74           HZ2      LYS  74  23.093  -9.335  -2.181
  559    HZ3  LYS  74           HZ3      LYS  74  22.033 -10.314  -2.926
  560    H    ARG  75           H        ARG  75  22.737  -2.619   0.519
  561    HA   ARG  75           HA       ARG  75  21.887  -2.569   3.319
  562    HB2  ARG  75           HB2      ARG  75  23.966  -1.018   1.787
  563    HB3  ARG  75           HB3      ARG  75  23.495  -0.601   3.429
  564    HG2  ARG  75           HG2      ARG  75  24.215  -2.760   4.228
  565    HG3  ARG  75           HG3      ARG  75  24.589  -3.274   2.582
  566    HD2  ARG  75           HD2      ARG  75  25.878  -0.911   3.923
  567    HD3  ARG  75           HD3      ARG  75  26.553  -2.538   3.969
  568    HE   ARG  75           HE       ARG  75  26.056  -1.819   1.297
  569   HH11  ARG  75          HH11      ARG  75  28.189  -1.005   3.947
  570   HH12  ARG  75          HH12      ARG  75  29.515  -0.572   2.916
  571   HH21  ARG  75          HH21      ARG  75  27.802  -1.257  -0.069
  572   HH22  ARG  75          HH22      ARG  75  29.292  -0.702   0.631
  573    H    TRP  76           H        TRP  76  20.537  -1.714   0.583
  574    HA   TRP  76           HA       TRP  76  19.742   0.991   1.339
  575    HB2  TRP  76           HB2      TRP  76  19.352  -0.613  -1.186
  576    HB3  TRP  76           HB3      TRP  76  18.641   0.978  -0.925
  577    HD1  TRP  76           HD1      TRP  76  22.270  -0.190  -0.203
  578    HE1  TRP  76           HE1      TRP  76  23.865   1.357  -1.475
  579    HE3  TRP  76           HE3      TRP  76  18.831   2.758  -2.533
  580    HZ2  TRP  76           HZ2      TRP  76  23.684   3.546  -3.226
  581    HZ3  TRP  76           HZ3      TRP  76  19.616   4.599  -3.955
  582    HH2  TRP  76           HH2      TRP  76  22.004   4.991  -4.265
  583    H    THR  77           H        THR  77  17.639   1.589   1.624
  584    HA   THR  77           HA       THR  77  15.764  -0.610   2.173
  585    HB   THR  77           HB       THR  77  15.637   2.220   3.222
  586    HG1  THR  77           HG1      THR  77  17.041  -0.034   4.105
  587   HG21  THR  77          HG21      THR  77  14.115   1.242   4.890
  588   HG22  THR  77          HG22      THR  77  14.245  -0.318   4.079
  589   HG23  THR  77          HG23      THR  77  13.502   1.048   3.248
  590    H    CYS  78           H        CYS  78  13.897  -0.714   1.023
  591    HA   CYS  78           HA       CYS  78  13.346   1.075  -1.110
  592    HB2  CYS  78           HB2      CYS  78  12.534  -1.292  -1.051
  593    HB3  CYS  78           HB3      CYS  78  11.445  -0.855   0.259
  594    H    CYS  79           H        CYS  79  12.375   3.006  -1.027
  595    HA   CYS  79           HA       CYS  79  11.184   3.782   1.550
  596    HB2  CYS  79           HB2      CYS  79  13.148   4.997   1.372
  597    HB3  CYS  79           HB3      CYS  79  12.962   5.261  -0.360
  598    H    LYS  80           H        LYS  80   9.329   4.972   1.595
  599    HA   LYS  80           HA       LYS  80   7.636   4.518  -0.693
  600    HB2  LYS  80           HB2      LYS  80   7.013   4.154   1.750
  601    HB3  LYS  80           HB3      LYS  80   6.884   5.902   1.872
  602    HG2  LYS  80           HG2      LYS  80   5.140   5.926   0.207
  603    HG3  LYS  80           HG3      LYS  80   5.309   4.189  -0.034
  604    HD2  LYS  80           HD2      LYS  80   4.431   5.562   2.504
  605    HD3  LYS  80           HD3      LYS  80   3.392   4.686   1.383
  606    HE2  LYS  80           HE2      LYS  80   3.730   3.046   2.934
  607    HE3  LYS  80           HE3      LYS  80   5.111   2.734   1.886
  608    HZ1  LYS  80           HZ1      LYS  80   5.170   4.274   4.385
  609    HZ2  LYS  80           HZ2      LYS  80   6.450   4.035   3.417
  610    HZ3  LYS  80           HZ3      LYS  80   5.767   2.775   4.178
  611    H    GLU  81           H        GLU  81   8.341   5.926  -2.252
  612    HA   GLU  81           HA       GLU  81   8.218   7.802  -3.517
  613    HB2  GLU  81           HB2      GLU  81   5.848   8.202  -1.702
  614    HB3  GLU  81           HB3      GLU  81   6.146   9.145  -3.158
  615    HG2  GLU  81           HG2      GLU  81   5.861   7.273  -4.555
  616    HG3  GLU  81           HG3      GLU  81   5.966   6.150  -3.202
  617    H    ILE  82           H        ILE  82  10.086   8.862  -3.042
  618    HA   ILE  82           HA       ILE  82  10.543  10.402  -0.703
  619    HB   ILE  82           HB       ILE  82  11.984  10.686  -3.345
  620   HG12  ILE  82          HG12      ILE  82  12.593   8.777  -1.074
  621   HG13  ILE  82          HG13      ILE  82  11.937   8.317  -2.641
  622   HG21  ILE  82          HG21      ILE  82  12.465  12.445  -1.749
  623   HG22  ILE  82          HG22      ILE  82  13.867  11.389  -1.927
  624   HG23  ILE  82          HG23      ILE  82  12.831  11.249  -0.506
  625   HD11  ILE  82          HD11      ILE  82  13.984   9.138  -3.717
  626   HD12  ILE  82          HD12      ILE  82  14.305   7.857  -2.549
  627   HD13  ILE  82          HD13      ILE  82  14.640   9.537  -2.131
  Start of MODEL    2
    1    H1   LEU   1           H1       LEU   1 -18.009   3.555  -4.121
    2    H2   LEU   1           H2       LEU   1 -18.566   4.863  -3.340
    3    H3   LEU   1           H3       LEU   1 -18.652   3.404  -2.632
    4    HA   LEU   1           HA       LEU   1 -16.891   4.640  -1.652
    5    HB2  LEU   1           HB2      LEU   1 -16.098   2.353  -3.435
    6    HB3  LEU   1           HB3      LEU   1 -14.977   3.082  -2.309
    7    HG   LEU   1           HG       LEU   1 -17.569   1.785  -1.559
    8   HD11  LEU   1          HD11      LEU   1 -16.025   0.141  -2.440
    9   HD12  LEU   1          HD12      LEU   1 -16.174  -0.039  -0.693
   10   HD13  LEU   1          HD13      LEU   1 -14.753   0.745  -1.379
   11   HD21  LEU   1          HD21      LEU   1 -16.883   3.494   0.024
   12   HD22  LEU   1          HD22      LEU   1 -15.280   2.769   0.127
   13   HD23  LEU   1          HD23      LEU   1 -16.686   1.888   0.724
   14    HA   PRO   2           HA       PRO   2 -14.350   7.421  -4.011
   15    HB2  PRO   2           HB2      PRO   2 -11.965   6.022  -2.905
   16    HB3  PRO   2           HB3      PRO   2 -12.370   7.743  -2.885
   17    HG2  PRO   2           HG2      PRO   2 -12.624   6.308  -0.676
   18    HG3  PRO   2           HG3      PRO   2 -13.878   7.497  -1.114
   19    HD2  PRO   2           HD2      PRO   2 -13.892   4.516  -1.440
   20    HD3  PRO   2           HD3      PRO   2 -15.194   5.585  -0.884
   21    H    ARG   3           H        ARG   3 -12.644   7.495  -5.652
   22    HA   ARG   3           HA       ARG   3 -13.339   5.952  -7.791
   23    HB2  ARG   3           HB2      ARG   3 -12.188   8.081  -7.958
   24    HB3  ARG   3           HB3      ARG   3 -10.723   7.366  -7.302
   25    HG2  ARG   3           HG2      ARG   3 -10.613   5.883  -9.274
   26    HG3  ARG   3           HG3      ARG   3 -12.016   6.724  -9.939
   27    HD2  ARG   3           HD2      ARG   3  -9.353   7.951  -9.254
   28    HD3  ARG   3           HD3      ARG   3  -9.964   7.620 -10.874
   29    HE   ARG   3           HE       ARG   3 -11.866   9.224  -9.781
   30   HH11  ARG   3          HH11      ARG   3  -8.405   9.499 -10.200
   31   HH12  ARG   3          HH12      ARG   3  -8.430  11.227 -10.333
   32   HH21  ARG   3          HH21      ARG   3 -11.902  11.504  -9.924
   33   HH22  ARG   3          HH22      ARG   3 -10.418  12.369 -10.176
   34    H    ASP   4           H        ASP   4 -10.551   5.383  -5.669
   35    HA   ASP   4           HA       ASP   4  -9.897   3.001  -7.282
   36    HB2  ASP   4           HB2      ASP   4  -8.068   4.732  -5.614
   37    HB3  ASP   4           HB3      ASP   4  -7.580   3.292  -6.499
   38    H    THR   5           H        THR   5 -11.543   3.507  -4.598
   39    HA   THR   5           HA       THR   5 -10.055   2.039  -2.660
   40    HB   THR   5           HB       THR   5 -13.015   2.649  -2.739
   41    HG1  THR   5           HG1      THR   5 -11.740   3.961  -0.834
   42   HG21  THR   5          HG21      THR   5 -12.963   2.119  -0.335
   43   HG22  THR   5          HG22      THR   5 -11.278   1.615  -0.496
   44   HG23  THR   5          HG23      THR   5 -12.549   0.716  -1.322
   45    H    SER   6           H        SER   6 -12.896   1.158  -4.631
   46    HA   SER   6           HA       SER   6 -12.973  -1.542  -3.822
   47    HB2  SER   6           HB2      SER   6 -14.870  -0.410  -4.874
   48    HB3  SER   6           HB3      SER   6 -13.960  -0.257  -6.375
   49    HG   SER   6           HG       SER   6 -13.863  -2.800  -5.786
   50    H    ARG   7           H        ARG   7 -11.112   0.198  -6.111
   51    HA   ARG   7           HA       ARG   7 -10.052  -2.014  -7.554
   52    HB2  ARG   7           HB2      ARG   7  -9.932   0.088  -8.616
   53    HB3  ARG   7           HB3      ARG   7  -9.301   0.874  -7.178
   54    HG2  ARG   7           HG2      ARG   7  -7.323  -0.880  -7.668
   55    HG3  ARG   7           HG3      ARG   7  -7.902  -0.582  -9.309
   56    HD2  ARG   7           HD2      ARG   7  -7.671   1.825  -8.953
   57    HD3  ARG   7           HD3      ARG   7  -7.103   1.525  -7.306
   58    HE   ARG   7           HE       ARG   7  -5.420   0.095  -8.898
   59   HH11  ARG   7          HH11      ARG   7  -6.379   3.467  -8.799
   60   HH12  ARG   7          HH12      ARG   7  -4.823   4.040  -9.324
   61   HH21  ARG   7          HH21      ARG   7  -3.395   0.854  -9.610
   62   HH22  ARG   7          HH22      ARG   7  -3.137   2.560  -9.797
   63    H    CYS   8           H        CYS   8  -8.795   0.055  -4.961
   64    HA   CYS   8           HA       CYS   8  -6.261  -1.186  -4.858
   65    HB2  CYS   8           HB2      CYS   8  -7.313   1.122  -3.923
   66    HB3  CYS   8           HB3      CYS   8  -7.238   0.168  -2.443
   67    H    VAL   9           H        VAL   9  -9.235  -1.642  -3.026
   68    HA   VAL   9           HA       VAL   9  -8.281  -2.967  -0.812
   69    HB   VAL   9           HB       VAL   9 -10.590  -2.222  -1.009
   70   HG11  VAL   9          HG11      VAL   9 -12.237  -3.504  -2.289
   71   HG12  VAL   9          HG12      VAL   9 -10.936  -4.495  -2.952
   72   HG13  VAL   9          HG13      VAL   9 -11.008  -2.772  -3.323
   73   HG21  VAL   9          HG21      VAL   9 -11.708  -4.140   0.019
   74   HG22  VAL   9          HG22      VAL   9 -10.080  -3.921   0.659
   75   HG23  VAL   9          HG23      VAL   9 -10.399  -5.193  -0.520
   76    H    GLY  10           H        GLY  10  -8.817  -4.279  -4.030
   77    HA2  GLY  10           HA2      GLY  10  -8.296  -6.987  -3.096
   78    HA3  GLY  10           HA3      GLY  10  -8.664  -6.505  -4.746
   79    H    TYR  11           H        TYR  11  -6.559  -4.348  -4.544
   80    HA   TYR  11           HA       TYR  11  -4.445  -6.113  -5.503
   81    HB2  TYR  11           HB2      TYR  11  -4.822  -3.133  -5.797
   82    HB3  TYR  11           HB3      TYR  11  -3.519  -4.068  -6.516
   83    HD1  TYR  11           HD1      TYR  11  -5.136  -6.491  -7.311
   84    HD2  TYR  11           HD2      TYR  11  -5.879  -2.330  -7.742
   85    HE1  TYR  11           HE1      TYR  11  -6.555  -6.956  -9.248
   86    HE2  TYR  11           HE2      TYR  11  -7.307  -2.778  -9.690
   87    HH   TYR  11           HH       TYR  11  -8.371  -5.927 -10.496
   88    H    HIS  12           H        HIS  12  -4.667  -3.132  -3.555
   89    HA   HIS  12           HA       HIS  12  -2.032  -3.809  -2.419
   90    HB2  HIS  12           HB2      HIS  12  -3.063  -0.990  -2.690
   91    HB3  HIS  12           HB3      HIS  12  -1.410  -1.530  -2.437
   92    HD1  HIS  12           HD1      HIS  12  -3.206   0.063  -4.911
   93    HD2  HIS  12           HD2      HIS  12  -0.782  -3.318  -4.966
   94    HE1  HIS  12           HE1      HIS  12  -2.470  -0.204  -7.299
   95    HE2  HIS  12           HE2      HIS  12  -0.940  -2.206  -7.298
   96    H    GLY  13           H        GLY  13  -5.072  -3.998  -1.630
   97    HA2  GLY  13           HA2      GLY  13  -5.651  -4.581   0.619
   98    HA3  GLY  13           HA3      GLY  13  -4.509  -3.376   1.184
   99    H    TYR  14           H        TYR  14  -6.791  -3.264   2.403
  100    HA   TYR  14           HA       TYR  14  -8.846  -1.861   0.972
  101    HB2  TYR  14           HB2      TYR  14  -9.993  -1.800   3.193
  102    HB3  TYR  14           HB3      TYR  14  -9.556  -3.412   2.649
  103    HD1  TYR  14           HD1      TYR  14  -8.010  -4.752   3.875
  104    HD2  TYR  14           HD2      TYR  14  -8.734  -0.729   5.032
  105    HE1  TYR  14           HE1      TYR  14  -6.860  -5.166   6.003
  106    HE2  TYR  14           HE2      TYR  14  -7.583  -1.126   7.171
  107    HH   TYR  14           HH       TYR  14  -5.699  -3.911   7.733
  108    H    CYS  15           H        CYS  15  -9.862   0.083   2.351
  109    HA   CYS  15           HA       CYS  15  -7.661   2.033   2.377
  110    HB2  CYS  15           HB2      CYS  15 -10.435   2.431   1.256
  111    HB3  CYS  15           HB3      CYS  15  -9.095   3.574   1.184
  112    H    ILE  16           H        ILE  16  -7.592   2.068   4.636
  113    HA   ILE  16           HA       ILE  16  -9.909   3.230   5.990
  114    HB   ILE  16           HB       ILE  16  -8.529   3.057   8.054
  115   HG12  ILE  16          HG12      ILE  16  -6.596   1.655   6.211
  116   HG13  ILE  16          HG13      ILE  16  -6.307   3.156   7.075
  117   HG21  ILE  16          HG21      ILE  16 -10.120   1.340   7.539
  118   HG22  ILE  16          HG22      ILE  16  -8.672   0.592   8.213
  119   HG23  ILE  16          HG23      ILE  16  -8.967   0.537   6.475
  120   HD11  ILE  16          HD11      ILE  16  -6.427   1.969   9.197
  121   HD12  ILE  16          HD12      ILE  16  -5.191   1.279   8.144
  122   HD13  ILE  16          HD13      ILE  16  -6.740   0.460   8.340
  123    H    ARG  17           H        ARG  17  -9.204   5.117   7.557
  124    HA   ARG  17           HA       ARG  17  -8.405   7.103   5.582
  125    HB2  ARG  17           HB2      ARG  17 -10.522   7.316   6.888
  126    HB3  ARG  17           HB3      ARG  17  -9.561   7.531   8.344
  127    HG2  ARG  17           HG2      ARG  17  -8.560   9.548   7.374
  128    HG3  ARG  17           HG3      ARG  17  -9.561   9.340   5.937
  129    HD2  ARG  17           HD2      ARG  17 -10.539   9.801   8.750
  130    HD3  ARG  17           HD3      ARG  17 -10.547  10.973   7.433
  131    HE   ARG  17           HE       ARG  17 -12.032   8.472   7.108
  132   HH11  ARG  17          HH11      ARG  17 -12.058  11.940   7.584
  133   HH12  ARG  17          HH12      ARG  17 -13.716  12.118   7.111
  134   HH21  ARG  17          HH21      ARG  17 -14.201   8.695   6.488
  135   HH22  ARG  17          HH22      ARG  17 -14.939  10.266   6.481
  136    H    SER  18           H        SER  18  -6.796   5.380   7.891
  137    HA   SER  18           HA       SER  18  -4.683   7.356   8.032
  138    HB2  SER  18           HB2      SER  18  -6.066   6.277  10.492
  139    HB3  SER  18           HB3      SER  18  -4.508   7.108  10.527
  140    HG   SER  18           HG       SER  18  -6.354   8.502   9.108
  141    H    LYS  19           H        LYS  19  -2.751   6.401   9.240
  142    HA   LYS  19           HA       LYS  19  -2.129   3.969   7.847
  143    HB2  LYS  19           HB2      LYS  19  -0.494   5.735   9.667
  144    HB3  LYS  19           HB3      LYS  19   0.146   4.375   8.759
  145    HG2  LYS  19           HG2      LYS  19   0.643   6.414   7.651
  146    HG3  LYS  19           HG3      LYS  19  -0.478   5.496   6.668
  147    HD2  LYS  19           HD2      LYS  19  -2.303   6.929   7.598
  148    HD3  LYS  19           HD3      LYS  19  -1.064   7.903   8.390
  149    HE2  LYS  19           HE2      LYS  19  -1.230   7.412   5.427
  150    HE3  LYS  19           HE3      LYS  19  -1.856   8.844   6.241
  151    HZ1  LYS  19           HZ1      LYS  19   0.375   9.318   6.975
  152    HZ2  LYS  19           HZ2      LYS  19   0.330   9.224   5.354
  153    HZ3  LYS  19           HZ3      LYS  19   0.951   7.998   6.216
  154    H    VAL  20           H        VAL  20  -3.936   4.028  10.154
  155    HA   VAL  20           HA       VAL  20  -2.726   2.717  12.382
  156    HB   VAL  20           HB       VAL  20  -5.660   2.532  11.777
  157   HG11  VAL  20          HG11      VAL  20  -4.123   2.905  14.344
  158   HG12  VAL  20          HG12      VAL  20  -4.810   1.390  13.758
  159   HG13  VAL  20          HG13      VAL  20  -5.872   2.727  14.200
  160   HG21  VAL  20          HG21      VAL  20  -5.055   4.834  11.279
  161   HG22  VAL  20          HG22      VAL  20  -4.244   4.972  12.840
  162   HG23  VAL  20          HG23      VAL  20  -5.991   4.743  12.771
  163    H    CYS  21           H        CYS  21  -2.145   1.373   9.894
  164    HA   CYS  21           HA       CYS  21  -3.772  -0.869   9.437
  165    HB2  CYS  21           HB2      CYS  21  -0.802  -0.604   8.961
  166    HB3  CYS  21           HB3      CYS  21  -1.912  -1.695   8.135
  167    HA   PRO  22           HA       PRO  22  -2.563  -3.401  12.950
  168    HB2  PRO  22           HB2      PRO  22  -3.990  -5.579  12.243
  169    HB3  PRO  22           HB3      PRO  22  -4.756  -4.142  12.928
  170    HG2  PRO  22           HG2      PRO  22  -4.561  -5.007  10.072
  171    HG3  PRO  22           HG3      PRO  22  -5.948  -4.326  10.943
  172    HD2  PRO  22           HD2      PRO  22  -4.347  -2.859   9.298
  173    HD3  PRO  22           HD3      PRO  22  -5.200  -2.168  10.692
  174    H    LYS  23           H        LYS  23  -1.913  -5.949  12.946
  175    HA   LYS  23           HA       LYS  23  -0.026  -6.253  10.705
  176    HB2  LYS  23           HB2      LYS  23   0.238  -6.921  13.612
  177    HB3  LYS  23           HB3      LYS  23   1.163  -7.825  12.426
  178    HG2  LYS  23           HG2      LYS  23   2.572  -6.115  13.221
  179    HG3  LYS  23           HG3      LYS  23   2.063  -5.628  11.606
  180    HD2  LYS  23           HD2      LYS  23   0.355  -4.168  12.609
  181    HD3  LYS  23           HD3      LYS  23   0.926  -4.630  14.215
  182    HE2  LYS  23           HE2      LYS  23   2.531  -3.219  12.089
  183    HE3  LYS  23           HE3      LYS  23   1.864  -2.487  13.545
  184    HZ1  LYS  23           HZ1      LYS  23   3.945  -4.550  13.438
  185    HZ2  LYS  23           HZ2      LYS  23   3.277  -3.996  14.813
  186    HZ3  LYS  23           HZ3      LYS  23   4.146  -2.995  13.874
  187    HA   PRO  24           HA       PRO  24   1.134  -7.484   9.768
  188    HB2  PRO  24           HB2      PRO  24   1.353  -9.007   7.602
  189    HB3  PRO  24           HB3      PRO  24   1.883  -9.592   9.183
  190    HG2  PRO  24           HG2      PRO  24  -0.588 -10.232   7.640
  191    HG3  PRO  24           HG3      PRO  24   0.408 -11.293   8.651
  192    HD2  PRO  24           HD2      PRO  24  -1.976 -10.079   9.434
  193    HD3  PRO  24           HD3      PRO  24  -0.754 -10.744  10.532
  194    H    PHE  25           H        PHE  25   0.223  -5.520   9.111
  195    HA   PHE  25           HA       PHE  25  -0.684  -5.489   6.347
  196    HB2  PHE  25           HB2      PHE  25  -2.236  -4.241   8.626
  197    HB3  PHE  25           HB3      PHE  25  -2.441  -3.746   6.953
  198    HD1  PHE  25           HD1      PHE  25  -2.580  -6.736   9.156
  199    HD2  PHE  25           HD2      PHE  25  -3.973  -4.833   5.614
  200    HE1  PHE  25           HE1      PHE  25  -4.236  -8.530   8.846
  201    HE2  PHE  25           HE2      PHE  25  -5.608  -6.640   5.286
  202    HZ   PHE  25           HZ       PHE  25  -5.734  -8.481   6.900
  203    H    ALA  26           H        ALA  26  -0.040  -3.700   5.243
  204    HA   ALA  26           HA       ALA  26   1.631  -1.819   6.781
  205    HB1  ALA  26           HB1      ALA  26   2.079  -2.643   3.919
  206    HB2  ALA  26           HB2      ALA  26   2.898  -3.374   5.299
  207    HB3  ALA  26           HB3      ALA  26   3.140  -1.665   4.932
  208    H    ALA  27           H        ALA  27   1.274   0.283   6.561
  209    HA   ALA  27           HA       ALA  27  -0.824   1.381   5.048
  210    HB1  ALA  27           HB1      ALA  27   1.611   2.665   6.284
  211    HB2  ALA  27           HB2      ALA  27   0.022   2.489   7.026
  212    HB3  ALA  27           HB3      ALA  27   0.234   3.548   5.631
  213    H    PHE  28           H        PHE  28  -0.601   0.709   2.912
  214    HA   PHE  28           HA       PHE  28   1.884   1.329   1.536
  215    HB2  PHE  28           HB2      PHE  28  -0.294  -0.584   1.168
  216    HB3  PHE  28           HB3      PHE  28   0.198   0.183  -0.330
  217    HD1  PHE  28           HD1      PHE  28   3.027   0.521  -0.103
  218    HD2  PHE  28           HD2      PHE  28   0.579  -2.672   1.257
  219    HE1  PHE  28           HE1      PHE  28   4.952  -1.006  -0.224
  220    HE2  PHE  28           HE2      PHE  28   2.491  -4.208   1.129
  221    HZ   PHE  28           HZ       PHE  28   4.685  -3.372   0.389
  222    H    GLY  29           H        GLY  29   1.761   3.530   1.494
  223    HA2  GLY  29           HA2      GLY  29   1.323   5.566   0.547
  224    HA3  GLY  29           HA3      GLY  29   0.771   4.660  -0.849
  225    H    THR  30           H        THR  30  -1.027   5.665  -1.422
  226    HA   THR  30           HA       THR  30  -3.240   5.586   0.503
  227    HB   THR  30           HB       THR  30  -4.101   7.724  -0.423
  228    HG1  THR  30           HG1      THR  30  -1.563   8.139  -1.614
  229   HG21  THR  30          HG21      THR  30  -2.880   7.943   1.607
  230   HG22  THR  30          HG22      THR  30  -2.276   9.220   0.544
  231   HG23  THR  30          HG23      THR  30  -1.336   7.743   0.779
  232    H    CYS  31           H        CYS  31  -5.342   5.209  -0.535
  233    HA   CYS  31           HA       CYS  31  -5.045   3.492  -2.819
  234    HB2  CYS  31           HB2      CYS  31  -7.551   4.483  -1.457
  235    HB3  CYS  31           HB3      CYS  31  -7.494   3.220  -2.679
  236    H    SER  32           H        SER  32  -7.369   6.118  -2.393
  237    HA   SER  32           HA       SER  32  -6.994   6.814  -5.224
  238    HB2  SER  32           HB2      SER  32  -9.261   5.871  -4.360
  239    HB3  SER  32           HB3      SER  32  -9.463   7.457  -3.620
  240    HG   SER  32           HG       SER  32  -8.857   7.113  -6.375
  241    H    TRP  33           H        TRP  33  -8.366   8.340  -2.332
  242    HA   TRP  33           HA       TRP  33  -6.994  10.828  -2.939
  243    HB2  TRP  33           HB2      TRP  33  -8.532  10.459  -0.406
  244    HB3  TRP  33           HB3      TRP  33  -8.434  11.864  -1.453
  245    HD1  TRP  33           HD1      TRP  33 -11.031  10.005  -0.225
  246    HE1  TRP  33           HE1      TRP  33 -12.945   9.573  -1.883
  247    HE3  TRP  33           HE3      TRP  33  -8.569  10.986  -4.595
  248    HZ2  TRP  33           HZ2      TRP  33 -13.354   9.624  -4.654
  249    HZ3  TRP  33           HZ3      TRP  33  -9.808  10.771  -6.712
  250    HH2  TRP  33           HH2      TRP  33 -12.144  10.105  -6.740
  251    H    ARG  34           H        ARG  34  -5.583  11.818  -1.387
  252    HA   ARG  34           HA       ARG  34  -3.770  10.036  -0.161
  253    HB2  ARG  34           HB2      ARG  34  -3.028  12.176  -0.990
  254    HB3  ARG  34           HB3      ARG  34  -4.123  13.023   0.089
  255    HG2  ARG  34           HG2      ARG  34  -2.109  11.236   1.317
  256    HG3  ARG  34           HG3      ARG  34  -1.552  12.738   0.600
  257    HD2  ARG  34           HD2      ARG  34  -3.199  13.969   1.966
  258    HD3  ARG  34           HD3      ARG  34  -3.668  12.448   2.719
  259    HE   ARG  34           HE       ARG  34  -1.077  13.805   3.042
  260   HH11  ARG  34          HH11      ARG  34  -3.361  11.346   4.023
  261   HH12  ARG  34          HH12      ARG  34  -2.615  11.080   5.563
  262   HH21  ARG  34          HH21      ARG  34  -0.085  13.464   5.072
  263   HH22  ARG  34          HH22      ARG  34  -0.743  12.286   6.160
  264    H    GLN  35           H        GLN  35  -6.597  11.644   0.892
  265    HA   GLN  35           HA       GLN  35  -6.658  11.596   3.588
  266    HB2  GLN  35           HB2      GLN  35  -8.803  10.410   1.816
  267    HB3  GLN  35           HB3      GLN  35  -9.026  10.944   3.472
  268    HG2  GLN  35           HG2      GLN  35  -8.547  13.233   2.808
  269    HG3  GLN  35           HG3      GLN  35  -8.294  12.704   1.146
  270   HE21  GLN  35          HE21      GLN  35 -10.251  14.577   2.289
  271   HE22  GLN  35          HE22      GLN  35 -11.800  13.979   1.813
  272    H    LYS  36           H        LYS  36  -7.094   8.710   1.531
  273    HA   LYS  36           HA       LYS  36  -7.157   7.104   3.988
  274    HB2  LYS  36           HB2      LYS  36  -8.370   5.427   2.551
  275    HB3  LYS  36           HB3      LYS  36  -9.230   6.925   2.867
  276    HG2  LYS  36           HG2      LYS  36  -8.204   7.686   0.606
  277    HG3  LYS  36           HG3      LYS  36  -7.974   5.958   0.345
  278    HD2  LYS  36           HD2      LYS  36 -10.050   6.629  -0.646
  279    HD3  LYS  36           HD3      LYS  36 -10.381   5.625   0.772
  280    HE2  LYS  36           HE2      LYS  36 -10.276   8.551   1.186
  281    HE3  LYS  36           HE3      LYS  36 -11.644   7.930   0.265
  282    HZ1  LYS  36           HZ1      LYS  36 -12.144   6.493   2.124
  283    HZ2  LYS  36           HZ2      LYS  36 -12.135   8.047   2.600
  284    HZ3  LYS  36           HZ3      LYS  36 -10.887   7.079   2.974
  285    H    THR  37           H        THR  37  -5.836   5.483   4.304
  286    HA   THR  37           HA       THR  37  -3.539   5.172   2.562
  287    HB   THR  37           HB       THR  37  -4.134   3.789   5.184
  288    HG1  THR  37           HG1      THR  37  -3.519   6.415   4.654
  289   HG21  THR  37          HG21      THR  37  -1.511   4.455   3.848
  290   HG22  THR  37          HG22      THR  37  -2.280   2.869   3.832
  291   HG23  THR  37          HG23      THR  37  -1.730   3.564   5.356
  292    H    CYS  38           H        CYS  38  -2.909   3.164   1.642
  293    HA   CYS  38           HA       CYS  38  -5.117   1.267   1.274
  294    HB2  CYS  38           HB2      CYS  38  -3.721   2.370  -0.642
  295    HB3  CYS  38           HB3      CYS  38  -2.497   1.185  -0.206
  296    H    CYS  39           H        CYS  39  -5.100  -0.222   2.883
  297    HA   CYS  39           HA       CYS  39  -2.483  -1.150   3.868
  298    HB2  CYS  39           HB2      CYS  39  -5.178  -1.155   5.233
  299    HB3  CYS  39           HB3      CYS  39  -3.688  -1.778   5.934
  300    H    VAL  40           H        VAL  40  -1.927  -2.987   2.903
  301    HA   VAL  40           HA       VAL  40  -4.005  -5.026   2.454
  302    HB   VAL  40           HB       VAL  40  -2.586  -4.247   0.508
  303   HG11  VAL  40          HG11      VAL  40  -0.462  -4.119   1.728
  304   HG12  VAL  40          HG12      VAL  40  -0.351  -5.101   0.267
  305   HG13  VAL  40          HG13      VAL  40  -0.445  -5.878   1.848
  306   HG21  VAL  40          HG21      VAL  40  -2.604  -7.174   1.227
  307   HG22  VAL  40          HG22      VAL  40  -2.271  -6.539  -0.387
  308   HG23  VAL  40          HG23      VAL  40  -3.852  -6.284   0.351
  309    H    ASP  41           H        ASP  41  -3.669  -7.165   3.108
  310    HA   ASP  41           HA       ASP  41  -2.189  -7.658   5.454
  311    HB2  ASP  41           HB2      ASP  41  -4.058  -9.071   4.915
  312    HB3  ASP  41           HB3      ASP  41  -3.334  -9.533   3.383
  313    H    THR  42           H        THR  42  -0.069  -7.368   5.455
  314    HA   THR  42           HA       THR  42   1.389  -7.906   3.009
  315    HB   THR  42           HB       THR  42   3.256  -6.695   4.349
  316    HG1  THR  42           HG1      THR  42   2.654  -5.705   6.166
  317   HG21  THR  42          HG21      THR  42   0.768  -5.137   3.641
  318   HG22  THR  42          HG22      THR  42   1.913  -5.757   2.455
  319   HG23  THR  42          HG23      THR  42   2.431  -4.554   3.633
  320    H    THR  43           H        THR  43   1.402 -10.192   3.192
  321    HA   THR  43           HA       THR  43   3.321 -11.194   5.168
  322    HB   THR  43           HB       THR  43   2.271 -13.465   4.405
  323    HG1  THR  43           HG1      THR  43  -0.059 -11.900   4.091
  324   HG21  THR  43          HG21      THR  43   0.825 -11.497   6.170
  325   HG22  THR  43          HG22      THR  43   2.165 -12.534   6.654
  326   HG23  THR  43          HG23      THR  43   0.617 -13.248   6.199
  327    H    SER  44           H        SER  44   2.209 -12.357   1.998
  328    HA   SER  44           HA       SER  44   4.964 -13.109   1.359
  329    HB2  SER  44           HB2      SER  44   2.511 -13.737  -0.224
  330    HB3  SER  44           HB3      SER  44   4.045 -14.596  -0.229
  331    HG   SER  44           HG       SER  44   2.203 -15.516   1.045
  332    H    ASP  45           H        ASP  45   2.243 -11.560  -0.353
  333    HA   ASP  45           HA       ASP  45   3.972 -10.768  -2.523
  334    HB2  ASP  45           HB2      ASP  45   1.953  -9.996  -3.634
  335    HB3  ASP  45           HB3      ASP  45   1.706 -11.614  -2.994
  336    H    PHE  46           H        PHE  46   3.262  -9.540   0.381
  337    HA   PHE  46           HA       PHE  46   2.691  -6.900   0.279
  338    HB2  PHE  46           HB2      PHE  46   3.823  -6.673   2.387
  339    HB3  PHE  46           HB3      PHE  46   3.004  -8.212   2.281
  340    HD1  PHE  46           HD1      PHE  46   5.322  -7.337   4.135
  341    HD2  PHE  46           HD2      PHE  46   5.066  -9.523   0.526
  342    HE1  PHE  46           HE1      PHE  46   7.352  -8.579   4.756
  343    HE2  PHE  46           HE2      PHE  46   7.071 -10.796   1.118
  344    HZ   PHE  46           HZ       PHE  46   8.248 -10.308   3.245
  345    H    HIS  47           H        HIS  47   5.468  -8.267  -1.018
  346    HA   HIS  47           HA       HIS  47   7.300  -6.156  -0.922
  347    HB2  HIS  47           HB2      HIS  47   7.244  -8.660  -2.087
  348    HB3  HIS  47           HB3      HIS  47   7.365  -7.566  -3.464
  349    HD1  HIS  47           HD1      HIS  47   9.514  -6.153  -3.675
  350    HD2  HIS  47           HD2      HIS  47   9.456  -8.699  -0.390
  351    HE1  HIS  47           HE1      HIS  47  11.834  -6.068  -2.713
  352    HE2  HIS  47           HE2      HIS  47  11.829  -7.762  -0.845
  353    H    THR  48           H        THR  48   4.313  -5.983  -2.089
  354    HA   THR  48           HA       THR  48   4.115  -4.822  -4.541
  355    HB   THR  48           HB       THR  48   2.635  -3.928  -2.100
  356    HG1  THR  48           HG1      THR  48   2.902  -6.418  -3.065
  357   HG21  THR  48          HG21      THR  48   1.979  -2.713  -4.079
  358   HG22  THR  48          HG22      THR  48   0.697  -3.847  -3.649
  359   HG23  THR  48          HG23      THR  48   1.792  -4.215  -4.982
  360    H    CYS  49           H        CYS  49   6.122  -3.473  -2.284
  361    HA   CYS  49           HA       CYS  49   5.463  -0.830  -2.028
  362    HB2  CYS  49           HB2      CYS  49   7.667  -0.402  -1.362
  363    HB3  CYS  49           HB3      CYS  49   7.446  -2.103  -1.008
  364    H    GLN  50           H        GLN  50   7.430  -2.152  -4.749
  365    HA   GLN  50           HA       GLN  50   7.677   0.396  -5.952
  366    HB2  GLN  50           HB2      GLN  50   8.576  -0.752  -7.888
  367    HB3  GLN  50           HB3      GLN  50   9.303  -1.339  -6.411
  368    HG2  GLN  50           HG2      GLN  50   7.122  -2.759  -7.923
  369    HG3  GLN  50           HG3      GLN  50   8.842  -3.092  -8.097
  370   HE21  GLN  50          HE21      GLN  50   6.017  -3.668  -6.299
  371   HE22  GLN  50          HE22      GLN  50   6.731  -4.655  -5.059
  372    H    ASP  51           H        ASP  51   5.109  -1.814  -5.875
  373    HA   ASP  51           HA       ASP  51   3.842  -0.998  -8.320
  374    HB2  ASP  51           HB2      ASP  51   2.781  -2.401  -5.864
  375    HB3  ASP  51           HB3      ASP  51   1.811  -2.082  -7.293
  376    H    LYS  52           H        LYS  52   3.760  -0.034  -4.952
  377    HA   LYS  52           HA       LYS  52   1.607   1.836  -5.275
  378    HB2  LYS  52           HB2      LYS  52   3.585   1.308  -3.080
  379    HB3  LYS  52           HB3      LYS  52   2.421   2.618  -2.986
  380    HG2  LYS  52           HG2      LYS  52   1.797  -0.313  -3.243
  381    HG3  LYS  52           HG3      LYS  52   1.653   0.664  -1.785
  382    HD2  LYS  52           HD2      LYS  52   0.046   0.914  -4.324
  383    HD3  LYS  52           HD3      LYS  52  -0.538   0.464  -2.723
  384    HE2  LYS  52           HE2      LYS  52  -0.004   2.705  -1.889
  385    HE3  LYS  52           HE3      LYS  52   0.610   3.152  -3.480
  386    HZ1  LYS  52           HZ1      LYS  52  -1.624   3.927  -3.169
  387    HZ2  LYS  52           HZ2      LYS  52  -2.166   2.421  -2.886
  388    HZ3  LYS  52           HZ3      LYS  52  -1.594   2.813  -4.357
  389    H    GLY  53           H        GLY  53   4.942   1.867  -5.880
  390    HA2  GLY  53           HA2      GLY  53   5.808   3.857  -7.068
  391    HA3  GLY  53           HA3      GLY  53   4.990   4.817  -5.839
  392    H    GLY  54           H        GLY  54   6.839   1.857  -5.437
  393    HA2  GLY  54           HA2      GLY  54   8.352   3.005  -3.290
  394    HA3  GLY  54           HA3      GLY  54   8.505   1.374  -3.919
  395    H    HIS  55           H        HIS  55  10.020   4.216  -3.554
  396    HA   HIS  55           HA       HIS  55  11.648   3.946  -5.985
  397    HB2  HIS  55           HB2      HIS  55  11.433   6.184  -3.962
  398    HB3  HIS  55           HB3      HIS  55  12.607   6.161  -5.270
  399    HD1  HIS  55           HD1      HIS  55  11.878   7.247  -7.381
  400    HD2  HIS  55           HD2      HIS  55   8.653   6.134  -5.001
  401    HE1  HIS  55           HE1      HIS  55   9.842   8.174  -8.525
  402    HE2  HIS  55           HE2      HIS  55   7.897   7.322  -7.169
  403    H    CYS  56           H        CYS  56  14.030   4.334  -5.617
  404    HA   CYS  56           HA       CYS  56  14.864   2.972  -3.152
  405    HB2  CYS  56           HB2      CYS  56  15.892   2.640  -5.970
  406    HB3  CYS  56           HB3      CYS  56  16.784   2.080  -4.556
  407    H    VAL  57           H        VAL  57  15.984   4.249  -1.900
  408    HA   VAL  57           HA       VAL  57  17.540   6.408  -3.160
  409    HB   VAL  57           HB       VAL  57  17.027   7.830  -1.238
  410   HG11  VAL  57          HG11      VAL  57  14.673   8.261  -1.731
  411   HG12  VAL  57          HG12      VAL  57  14.566   6.700  -2.545
  412   HG13  VAL  57          HG13      VAL  57  15.608   7.965  -3.199
  413   HG21  VAL  57          HG21      VAL  57  16.711   6.148   0.477
  414   HG22  VAL  57          HG22      VAL  57  15.256   5.567  -0.333
  415   HG23  VAL  57          HG23      VAL  57  15.285   7.181   0.375
  416    H    SER  58           H        SER  58  19.516   6.818  -2.418
  417    HA   SER  58           HA       SER  58  20.863   4.734  -1.000
  418    HB2  SER  58           HB2      SER  58  22.864   6.029  -1.502
  419    HB3  SER  58           HB3      SER  58  21.825   6.022  -2.918
  420    HG   SER  58           HG       SER  58  21.759   8.100  -2.807
  421    HA   PRO  59           HA       PRO  59  20.786   6.131   3.152
  422    HB2  PRO  59           HB2      PRO  59  23.448   6.150   3.879
  423    HB3  PRO  59           HB3      PRO  59  22.422   4.716   3.822
  424    HG2  PRO  59           HG2      PRO  59  24.389   5.720   1.811
  425    HG3  PRO  59           HG3      PRO  59  24.061   4.055   2.328
  426    HD2  PRO  59           HD2      PRO  59  23.125   5.012   0.011
  427    HD3  PRO  59           HD3      PRO  59  22.180   3.877   0.989
  428    H    LYS  60           H        LYS  60  22.198   8.112   0.827
  429    HA   LYS  60           HA       LYS  60  22.724  10.236   2.791
  430    HB2  LYS  60           HB2      LYS  60  23.921  11.401   1.009
  431    HB3  LYS  60           HB3      LYS  60  24.561   9.785   1.257
  432    HG2  LYS  60           HG2      LYS  60  23.435   8.979  -0.709
  433    HG3  LYS  60           HG3      LYS  60  22.636  10.536  -0.930
  434    HD2  LYS  60           HD2      LYS  60  24.547  10.292  -2.435
  435    HD3  LYS  60           HD3      LYS  60  24.798  11.607  -1.287
  436    HE2  LYS  60           HE2      LYS  60  26.142  10.058   0.111
  437    HE3  LYS  60           HE3      LYS  60  25.962   8.830  -1.139
  438    HZ1  LYS  60           HZ1      LYS  60  28.033  10.017  -1.340
  439    HZ2  LYS  60           HZ2      LYS  60  27.259  11.435  -1.504
  440    HZ3  LYS  60           HZ3      LYS  60  27.104  10.292  -2.647
  441    H    ILE  61           H        ILE  61  20.260   9.125   0.952
  442    HA   ILE  61           HA       ILE  61  19.216  11.712   0.118
  443    HB   ILE  61           HB       ILE  61  17.784   9.056   0.080
  444   HG12  ILE  61          HG12      ILE  61  19.963   8.968  -1.106
  445   HG13  ILE  61          HG13      ILE  61  18.579   8.690  -2.152
  446   HG21  ILE  61          HG21      ILE  61  16.480  10.078  -1.725
  447   HG22  ILE  61          HG22      ILE  61  17.390  11.575  -1.528
  448   HG23  ILE  61          HG23      ILE  61  16.353  10.996  -0.224
  449   HD11  ILE  61          HD11      ILE  61  18.755  11.029  -2.913
  450   HD12  ILE  61          HD12      ILE  61  20.182  10.058  -3.275
  451   HD13  ILE  61          HD13      ILE  61  20.212  11.203  -1.933
  452    H    ARG  62           H        ARG  62  17.239  12.554   0.936
  453    HA   ARG  62           HA       ARG  62  16.487  11.498   3.578
  454    HB2  ARG  62           HB2      ARG  62  16.531  14.370   2.647
  455    HB3  ARG  62           HB3      ARG  62  15.775  13.838   4.145
  456    HG2  ARG  62           HG2      ARG  62  17.943  12.961   4.894
  457    HG3  ARG  62           HG3      ARG  62  18.686  13.600   3.426
  458    HD2  ARG  62           HD2      ARG  62  17.306  15.201   5.580
  459    HD3  ARG  62           HD3      ARG  62  19.040  15.135   5.269
  460    HE   ARG  62           HE       ARG  62  17.274  16.088   3.140
  461   HH11  ARG  62          HH11      ARG  62  19.720  16.792   5.548
  462   HH12  ARG  62          HH12      ARG  62  20.084  18.356   4.895
  463   HH21  ARG  62          HH21      ARG  62  17.754  18.146   2.289
  464   HH22  ARG  62          HH22      ARG  62  18.969  19.127   3.049
  465    H    CYS  63           H        CYS  63  14.954  10.202   2.793
  466    HA   CYS  63           HA       CYS  63  12.508  11.482   1.800
  467    HB2  CYS  63           HB2      CYS  63  13.683  10.442  -0.109
  468    HB3  CYS  63           HB3      CYS  63  13.703   8.907   0.752
  469    H    LEU  64           H        LEU  64  10.558  10.304   2.321
  470    HA   LEU  64           HA       LEU  64  10.627   8.967   4.823
  471    HB2  LEU  64           HB2      LEU  64   8.499   9.181   2.718
  472    HB3  LEU  64           HB3      LEU  64   8.247   8.410   4.273
  473    HG   LEU  64           HG       LEU  64   8.789  11.319   3.720
  474   HD11  LEU  64          HD11      LEU  64   6.663  11.602   4.887
  475   HD12  LEU  64          HD12      LEU  64   6.538   9.852   5.060
  476   HD13  LEU  64          HD13      LEU  64   6.499  10.585   3.457
  477   HD21  LEU  64          HD21      LEU  64  10.130  10.715   5.640
  478   HD22  LEU  64          HD22      LEU  64   8.757   9.886   6.375
  479   HD23  LEU  64          HD23      LEU  64   8.723  11.637   6.167
  480    H    GLU  65           H        GLU  65  12.120   7.318   4.528
  481    HA   GLU  65           HA       GLU  65  11.649   5.341   2.469
  482    HB2  GLU  65           HB2      GLU  65  13.793   4.426   3.038
  483    HB3  GLU  65           HB3      GLU  65  13.936   6.171   2.917
  484    HG2  GLU  65           HG2      GLU  65  13.620   4.722   5.532
  485    HG3  GLU  65           HG3      GLU  65  15.183   5.078   4.806
  486    H    GLU  66           H        GLU  66  12.005   3.013   3.087
  487    HA   GLU  66           HA       GLU  66  11.592   1.123   4.277
  488    HB2  GLU  66           HB2      GLU  66  10.751   2.990   6.484
  489    HB3  GLU  66           HB3      GLU  66  10.766   1.235   6.629
  490    HG2  GLU  66           HG2      GLU  66  13.116   1.148   6.374
  491    HG3  GLU  66           HG3      GLU  66  13.179   2.841   5.886
  492    H    GLN  67           H        GLN  67  10.072   1.672   2.376
  493    HA   GLN  67           HA       GLN  67   7.275   1.720   3.075
  494    HB2  GLN  67           HB2      GLN  67   8.258   2.575   0.911
  495    HB3  GLN  67           HB3      GLN  67   8.496   0.895   0.447
  496    HG2  GLN  67           HG2      GLN  67   6.105   0.496   0.616
  497    HG3  GLN  67           HG3      GLN  67   5.854   2.168   1.113
  498   HE21  GLN  67          HE21      GLN  67   4.724   0.859  -1.169
  499   HE22  GLN  67          HE22      GLN  67   5.304   1.703  -2.565
  500    H    LEU  68           H        LEU  68   9.229  -0.710   1.359
  501    HA   LEU  68           HA       LEU  68   8.663  -2.867   3.070
  502    HB2  LEU  68           HB2      LEU  68   6.423  -2.286   1.665
  503    HB3  LEU  68           HB3      LEU  68   7.228  -3.340   0.516
  504    HG   LEU  68           HG       LEU  68   5.653  -4.608   1.834
  505   HD11  LEU  68          HD11      LEU  68   8.483  -5.243   2.633
  506   HD12  LEU  68          HD12      LEU  68   7.673  -5.760   1.155
  507   HD13  LEU  68          HD13      LEU  68   7.112  -6.348   2.720
  508   HD21  LEU  68          HD21      LEU  68   7.207  -3.705   4.251
  509   HD22  LEU  68          HD22      LEU  68   5.881  -4.866   4.245
  510   HD23  LEU  68          HD23      LEU  68   5.581  -3.184   3.809
  511    H    GLY  69           H        GLY  69  10.250  -4.327   2.674
  512    HA2  GLY  69           HA2      GLY  69  11.414  -5.862   1.346
  513    HA3  GLY  69           HA3      GLY  69  10.860  -5.001  -0.083
  514    H    LEU  70           H        LEU  70  13.484  -5.930   0.276
  515    HA   LEU  70           HA       LEU  70  15.034  -3.521   0.871
  516    HB2  LEU  70           HB2      LEU  70  15.494  -6.115   1.516
  517    HB3  LEU  70           HB3      LEU  70  16.397  -6.003   0.019
  518    HG   LEU  70           HG       LEU  70  16.815  -4.247   2.442
  519   HD11  LEU  70          HD11      LEU  70  18.915  -5.472   2.690
  520   HD12  LEU  70          HD12      LEU  70  18.458  -6.522   1.348
  521   HD13  LEU  70          HD13      LEU  70  17.517  -6.537   2.840
  522   HD21  LEU  70          HD21      LEU  70  17.366  -3.077   0.377
  523   HD22  LEU  70          HD22      LEU  70  18.366  -4.434  -0.139
  524   HD23  LEU  70          HD23      LEU  70  18.828  -3.485   1.272
  525    H    CYS  71           H        CYS  71  15.837  -2.300  -0.673
  526    HA   CYS  71           HA       CYS  71  15.202  -2.650  -3.393
  527    HB2  CYS  71           HB2      CYS  71  16.881  -0.730  -1.837
  528    HB3  CYS  71           HB3      CYS  71  16.996  -0.740  -3.594
  529    HA   PRO  72           HA       PRO  72  18.454  -4.844  -5.529
  530    HB2  PRO  72           HB2      PRO  72  19.177  -2.106  -6.540
  531    HB3  PRO  72           HB3      PRO  72  19.111  -3.644  -7.421
  532    HG2  PRO  72           HG2      PRO  72  17.096  -1.932  -7.602
  533    HG3  PRO  72           HG3      PRO  72  16.784  -3.670  -7.463
  534    HD2  PRO  72           HD2      PRO  72  16.408  -1.521  -5.456
  535    HD3  PRO  72           HD3      PRO  72  15.557  -3.068  -5.630
  536    H    LEU  73           H        LEU  73  19.698  -1.602  -4.571
  537    HA   LEU  73           HA       LEU  73  22.174  -2.748  -3.660
  538    HB2  LEU  73           HB2      LEU  73  21.043  -0.023  -3.122
  539    HB3  LEU  73           HB3      LEU  73  22.640  -0.539  -2.668
  540    HG   LEU  73           HG       LEU  73  23.079   0.691  -4.551
  541   HD11  LEU  73          HD11      LEU  73  23.667  -0.780  -6.352
  542   HD12  LEU  73          HD12      LEU  73  22.572  -2.019  -5.739
  543   HD13  LEU  73          HD13      LEU  73  23.995  -1.559  -4.803
  544   HD21  LEU  73          HD21      LEU  73  21.698   0.621  -6.625
  545   HD22  LEU  73          HD22      LEU  73  20.890   1.300  -5.213
  546   HD23  LEU  73          HD23      LEU  73  20.519  -0.346  -5.737
  547    H    LYS  74           H        LYS  74  22.882  -2.728  -1.521
  548    HA   LYS  74           HA       LYS  74  20.737  -3.590   0.260
  549    HB2  LYS  74           HB2      LYS  74  23.716  -4.042   0.364
  550    HB3  LYS  74           HB3      LYS  74  22.603  -4.582   1.610
  551    HG2  LYS  74           HG2      LYS  74  22.590  -5.451  -1.273
  552    HG3  LYS  74           HG3      LYS  74  23.184  -6.389   0.097
  553    HD2  LYS  74           HD2      LYS  74  20.888  -6.269   1.075
  554    HD3  LYS  74           HD3      LYS  74  20.346  -5.516  -0.425
  555    HE2  LYS  74           HE2      LYS  74  19.851  -7.867  -0.511
  556    HE3  LYS  74           HE3      LYS  74  21.139  -7.512  -1.660
  557    HZ1  LYS  74           HZ1      LYS  74  21.595  -9.489  -0.380
  558    HZ2  LYS  74           HZ2      LYS  74  21.529  -8.658   1.014
  559    HZ3  LYS  74           HZ3      LYS  74  22.709  -8.348  -0.058
  560    H    ARG  75           H        ARG  75  22.868  -0.972  -0.188
  561    HA   ARG  75           HA       ARG  75  22.696  -0.119   2.600
  562    HB2  ARG  75           HB2      ARG  75  23.894   1.312   0.215
  563    HB3  ARG  75           HB3      ARG  75  24.015   1.832   1.886
  564    HG2  ARG  75           HG2      ARG  75  25.227  -0.642   0.676
  565    HG3  ARG  75           HG3      ARG  75  26.078   0.811   1.190
  566    HD2  ARG  75           HD2      ARG  75  26.389  -0.826   2.887
  567    HD3  ARG  75           HD3      ARG  75  25.243   0.357   3.515
  568    HE   ARG  75           HE       ARG  75  23.716  -1.615   2.358
  569   HH11  ARG  75          HH11      ARG  75  26.154  -1.530   4.873
  570   HH12  ARG  75          HH12      ARG  75  25.395  -2.761   5.828
  571   HH21  ARG  75          HH21      ARG  75  22.705  -3.225   3.617
  572   HH22  ARG  75          HH22      ARG  75  23.443  -3.750   5.097
  573    H    TRP  76           H        TRP  76  20.688  -0.144   0.055
  574    HA   TRP  76           HA       TRP  76  19.640   2.563   0.469
  575    HB2  TRP  76           HB2      TRP  76  19.178   0.576  -1.761
  576    HB3  TRP  76           HB3      TRP  76  18.402   2.152  -1.649
  577    HD1  TRP  76           HD1      TRP  76  22.159   1.410  -1.079
  578    HE1  TRP  76           HE1      TRP  76  23.507   2.749  -2.794
  579    HE3  TRP  76           HE3      TRP  76  18.305   3.491  -3.664
  580    HZ2  TRP  76           HZ2      TRP  76  22.996   4.475  -4.958
  581    HZ3  TRP  76           HZ3      TRP  76  18.803   5.008  -5.522
  582    HH2  TRP  76           HH2      TRP  76  21.105   5.501  -6.147
  583    H    THR  77           H        THR  77  17.344   2.838   0.530
  584    HA   THR  77           HA       THR  77  15.930   0.518   1.671
  585    HB   THR  77           HB       THR  77  15.437   3.409   2.393
  586    HG1  THR  77           HG1      THR  77  17.018   1.442   3.732
  587   HG21  THR  77          HG21      THR  77  13.582   1.856   2.800
  588   HG22  THR  77          HG22      THR  77  14.274   2.448   4.309
  589   HG23  THR  77          HG23      THR  77  14.657   0.823   3.741
  590    H    CYS  78           H        CYS  78  13.850   0.130   0.951
  591    HA   CYS  78           HA       CYS  78  12.970   1.425  -1.453
  592    HB2  CYS  78           HB2      CYS  78  12.526  -1.009  -0.833
  593    HB3  CYS  78           HB3      CYS  78  11.347  -0.414   0.329
  594    H    CYS  79           H        CYS  79  12.019   3.349  -1.473
  595    HA   CYS  79           HA       CYS  79  10.889   4.335   1.055
  596    HB2  CYS  79           HB2      CYS  79  12.678   5.696   0.553
  597    HB3  CYS  79           HB3      CYS  79  12.388   5.648  -1.181
  598    H    LYS  80           H        LYS  80   8.966   5.388   1.136
  599    HA   LYS  80           HA       LYS  80   7.109   4.605  -0.947
  600    HB2  LYS  80           HB2      LYS  80   6.801   4.431   1.630
  601    HB3  LYS  80           HB3      LYS  80   6.380   6.134   1.531
  602    HG2  LYS  80           HG2      LYS  80   4.656   5.484  -0.182
  603    HG3  LYS  80           HG3      LYS  80   4.992   3.808   0.248
  604    HD2  LYS  80           HD2      LYS  80   4.014   5.953   2.130
  605    HD3  LYS  80           HD3      LYS  80   3.033   4.666   1.433
  606    HE2  LYS  80           HE2      LYS  80   3.512   3.810   3.520
  607    HE3  LYS  80           HE3      LYS  80   4.792   3.096   2.545
  608    HZ1  LYS  80           HZ1      LYS  80   5.048   5.449   4.280
  609    HZ2  LYS  80           HZ2      LYS  80   6.236   4.877   3.329
  610    HZ3  LYS  80           HZ3      LYS  80   5.679   3.974   4.558
  611    H    GLU  81           H        GLU  81   7.468   5.970  -2.647
  612    HA   GLU  81           HA       GLU  81   7.136   7.781  -3.970
  613    HB2  GLU  81           HB2      GLU  81   5.106   8.419  -1.831
  614    HB3  GLU  81           HB3      GLU  81   5.211   9.244  -3.380
  615    HG2  GLU  81           HG2      GLU  81   4.739   7.181  -4.548
  616    HG3  GLU  81           HG3      GLU  81   4.729   6.297  -3.025
  617    H    ILE  82           H        ILE  82   9.077   8.786  -3.862
  618    HA   ILE  82           HA       ILE  82  10.081  10.330  -1.761
  619    HB   ILE  82           HB       ILE  82  10.714  10.621  -4.705
  620   HG12  ILE  82          HG12      ILE  82  12.080   8.971  -2.561
  621   HG13  ILE  82          HG13      ILE  82  11.092   8.333  -3.872
  622   HG21  ILE  82          HG21      ILE  82  12.834  11.590  -3.930
  623   HG22  ILE  82          HG22      ILE  82  12.257  11.498  -2.266
  624   HG23  ILE  82          HG23      ILE  82  11.444  12.551  -3.425
  625   HD11  ILE  82          HD11      ILE  82  13.473   8.085  -4.326
  626   HD12  ILE  82          HD12      ILE  82  13.681   9.833  -4.205
  627   HD13  ILE  82          HD13      ILE  82  12.700   9.149  -5.501
  Start of MODEL    3
    1    H1   LEU   1           H1       LEU   1 -18.741   3.352  -3.042
    2    H2   LEU   1           H2       LEU   1 -18.437   1.798  -2.677
    3    H3   LEU   1           H3       LEU   1 -18.097   2.363  -4.163
    4    HA   LEU   1           HA       LEU   1 -16.803   3.229  -1.694
    5    HB2  LEU   1           HB2      LEU   1 -15.904   1.408  -3.912
    6    HB3  LEU   1           HB3      LEU   1 -14.773   2.179  -2.825
    7    HG   LEU   1           HG       LEU   1 -16.946   0.281  -2.017
    8   HD11  LEU   1          HD11      LEU   1 -15.105  -1.281  -1.564
    9   HD12  LEU   1          HD12      LEU   1 -13.977  -0.122  -2.264
   10   HD13  LEU   1          HD13      LEU   1 -15.221  -0.858  -3.272
   11   HD21  LEU   1          HD21      LEU   1 -14.735   1.559  -0.428
   12   HD22  LEU   1          HD22      LEU   1 -15.787   0.273   0.160
   13   HD23  LEU   1          HD23      LEU   1 -16.464   1.849  -0.245
   14    HA   PRO   2           HA       PRO   2 -15.194   6.781  -3.820
   15    HB2  PRO   2           HB2      PRO   2 -12.474   5.795  -3.121
   16    HB3  PRO   2           HB3      PRO   2 -13.214   7.368  -2.807
   17    HG2  PRO   2           HG2      PRO   2 -12.936   5.630  -0.832
   18    HG3  PRO   2           HG3      PRO   2 -14.451   6.559  -0.987
   19    HD2  PRO   2           HD2      PRO   2 -13.868   3.720  -1.792
   20    HD3  PRO   2           HD3      PRO   2 -15.299   4.367  -0.965
   21    H    ARG   3           H        ARG   3 -13.394   7.403  -5.427
   22    HA   ARG   3           HA       ARG   3 -14.034   6.119  -7.785
   23    HB2  ARG   3           HB2      ARG   3 -13.268   8.397  -7.772
   24    HB3  ARG   3           HB3      ARG   3 -11.700   7.915  -7.139
   25    HG2  ARG   3           HG2      ARG   3 -11.233   6.708  -9.207
   26    HG3  ARG   3           HG3      ARG   3 -12.804   7.193  -9.842
   27    HD2  ARG   3           HD2      ARG   3 -12.159   9.522  -9.749
   28    HD3  ARG   3           HD3      ARG   3 -10.617   9.090  -9.010
   29    HE   ARG   3           HE       ARG   3 -10.555   7.689 -11.295
   30   HH11  ARG   3          HH11      ARG   3 -11.305  11.050 -10.651
   31   HH12  ARG   3          HH12      ARG   3 -10.703  11.608 -12.179
   32   HH21  ARG   3          HH21      ARG   3  -9.768   8.419 -13.303
   33   HH22  ARG   3          HH22      ARG   3  -9.826  10.108 -13.688
   34    H    ASP   4           H        ASP   4 -10.998   5.807  -5.924
   35    HA   ASP   4           HA       ASP   4 -10.238   3.680  -7.822
   36    HB2  ASP   4           HB2      ASP   4  -8.510   5.581  -6.256
   37    HB3  ASP   4           HB3      ASP   4  -7.873   4.174  -7.099
   38    H    THR   5           H        THR   5 -11.691   3.604  -5.079
   39    HA   THR   5           HA       THR   5  -9.851   2.131  -3.443
   40    HB   THR   5           HB       THR   5 -12.843   2.453  -3.181
   41    HG1  THR   5           HG1      THR   5 -10.729   3.683  -1.712
   42   HG21  THR   5          HG21      THR   5 -12.555   1.663  -0.898
   43   HG22  THR   5          HG22      THR   5 -10.830   1.428  -1.176
   44   HG23  THR   5          HG23      THR   5 -12.005   0.436  -2.039
   45    H    SER   6           H        SER   6 -12.517   1.281  -5.609
   46    HA   SER   6           HA       SER   6 -12.546  -1.475  -4.995
   47    HB2  SER   6           HB2      SER   6 -14.438  -0.402  -6.070
   48    HB3  SER   6           HB3      SER   6 -13.459  -0.017  -7.483
   49    HG   SER   6           HG       SER   6 -13.575  -2.694  -6.711
   50    H    ARG   7           H        ARG   7 -10.549   0.472  -7.044
   51    HA   ARG   7           HA       ARG   7  -9.319  -1.723  -8.433
   52    HB2  ARG   7           HB2      ARG   7  -9.285   0.425  -9.513
   53    HB3  ARG   7           HB3      ARG   7  -8.597   1.196  -8.092
   54    HG2  ARG   7           HG2      ARG   7  -6.793  -0.827  -8.836
   55    HG3  ARG   7           HG3      ARG   7  -7.266  -0.002 -10.324
   56    HD2  ARG   7           HD2      ARG   7  -6.263   1.358  -7.827
   57    HD3  ARG   7           HD3      ARG   7  -5.272   0.983  -9.231
   58    HE   ARG   7           HE       ARG   7  -7.548   2.867  -9.273
   59   HH11  ARG   7          HH11      ARG   7  -4.383   1.852 -10.389
   60   HH12  ARG   7          HH12      ARG   7  -4.112   3.288 -11.320
   61   HH21  ARG   7          HH21      ARG   7  -7.184   4.765 -10.464
   62   HH22  ARG   7          HH22      ARG   7  -5.708   4.944 -11.374
   63    H    CYS   8           H        CYS   8  -8.538   0.339  -5.710
   64    HA   CYS   8           HA       CYS   8  -5.888  -0.587  -5.362
   65    HB2  CYS   8           HB2      CYS   8  -6.983   1.588  -4.608
   66    HB3  CYS   8           HB3      CYS   8  -7.605   0.655  -3.259
   67    H    VAL   9           H        VAL   9  -8.978  -1.530  -3.990
   68    HA   VAL   9           HA       VAL   9  -8.156  -2.763  -1.665
   69    HB   VAL   9           HB       VAL   9 -10.477  -2.368  -2.047
   70   HG11  VAL   9          HG11      VAL   9 -10.486  -2.645  -4.466
   71   HG12  VAL   9          HG12      VAL   9 -11.785  -3.570  -3.704
   72   HG13  VAL   9          HG13      VAL   9 -10.331  -4.394  -4.268
   73   HG21  VAL   9          HG21      VAL   9 -11.458  -4.539  -1.449
   74   HG22  VAL   9          HG22      VAL   9  -9.978  -4.211  -0.549
   75   HG23  VAL   9          HG23      VAL   9  -9.954  -5.336  -1.907
   76    H    GLY  10           H        GLY  10  -8.246  -4.150  -4.935
   77    HA2  GLY  10           HA2      GLY  10  -7.443  -6.754  -3.965
   78    HA3  GLY  10           HA3      GLY  10  -7.587  -6.264  -5.647
   79    H    TYR  11           H        TYR  11  -5.832  -3.850  -4.771
   80    HA   TYR  11           HA       TYR  11  -3.380  -5.232  -5.542
   81    HB2  TYR  11           HB2      TYR  11  -4.223  -2.349  -5.639
   82    HB3  TYR  11           HB3      TYR  11  -2.556  -2.847  -5.890
   83    HD1  TYR  11           HD1      TYR  11  -4.935  -1.582  -7.713
   84    HD2  TYR  11           HD2      TYR  11  -2.911  -5.313  -7.469
   85    HE1  TYR  11           HE1      TYR  11  -5.429  -2.001 -10.084
   86    HE2  TYR  11           HE2      TYR  11  -3.399  -5.742  -9.833
   87    HH   TYR  11           HH       TYR  11  -5.129  -5.001 -11.520
   88    H    HIS  12           H        HIS  12  -4.289  -2.598  -3.301
   89    HA   HIS  12           HA       HIS  12  -1.845  -3.259  -1.785
   90    HB2  HIS  12           HB2      HIS  12  -2.953  -0.485  -1.693
   91    HB3  HIS  12           HB3      HIS  12  -1.286  -1.031  -1.557
   92    HD1  HIS  12           HD1      HIS  12  -3.448   0.705  -3.794
   93    HD2  HIS  12           HD2      HIS  12  -0.323  -1.984  -4.264
   94    HE1  HIS  12           HE1      HIS  12  -2.702   0.944  -6.181
   95    HE2  HIS  12           HE2      HIS  12  -0.705  -0.586  -6.401
   96    H    GLY  13           H        GLY  13  -4.903  -3.844  -1.545
   97    HA2  GLY  13           HA2      GLY  13  -5.794  -4.696   0.496
   98    HA3  GLY  13           HA3      GLY  13  -4.865  -3.487   1.371
   99    H    TYR  14           H        TYR  14  -7.057  -3.287   2.428
  100    HA   TYR  14           HA       TYR  14  -9.125  -1.992   0.841
  101    HB2  TYR  14           HB2      TYR  14 -10.412  -2.025   2.991
  102    HB3  TYR  14           HB3      TYR  14  -9.906  -3.612   2.427
  103    HD1  TYR  14           HD1      TYR  14  -8.699  -5.031   3.829
  104    HD2  TYR  14           HD2      TYR  14  -8.989  -0.906   4.809
  105    HE1  TYR  14           HE1      TYR  14  -7.668  -5.483   6.012
  106    HE2  TYR  14           HE2      TYR  14  -7.954  -1.342   6.995
  107    HH   TYR  14           HH       TYR  14  -6.454  -4.326   7.745
  108    H    CYS  15           H        CYS  15 -10.247  -0.132   2.452
  109    HA   CYS  15           HA       CYS  15  -8.042   1.761   2.875
  110    HB2  CYS  15           HB2      CYS  15  -9.726   1.860   0.721
  111    HB3  CYS  15           HB3      CYS  15 -10.458   2.994   1.833
  112    H    ILE  16           H        ILE  16  -8.119   1.904   4.994
  113    HA   ILE  16           HA       ILE  16 -10.619   2.679   6.301
  114    HB   ILE  16           HB       ILE  16  -9.375   2.555   8.414
  115   HG12  ILE  16          HG12      ILE  16  -7.076   1.719   6.650
  116   HG13  ILE  16          HG13      ILE  16  -7.154   3.150   7.661
  117   HG21  ILE  16          HG21      ILE  16  -8.989   0.082   8.362
  118   HG22  ILE  16          HG22      ILE  16  -9.277   0.149   6.620
  119   HG23  ILE  16          HG23      ILE  16 -10.550   0.620   7.747
  120   HD11  ILE  16          HD11      ILE  16  -7.189   1.752   9.654
  121   HD12  ILE  16          HD12      ILE  16  -5.762   1.435   8.667
  122   HD13  ILE  16          HD13      ILE  16  -7.118   0.308   8.644
  123    H    ARG  17           H        ARG  17 -10.395   4.568   7.851
  124    HA   ARG  17           HA       ARG  17  -9.680   6.737   6.072
  125    HB2  ARG  17           HB2      ARG  17 -11.891   6.624   7.178
  126    HB3  ARG  17           HB3      ARG  17 -11.102   6.827   8.733
  127    HG2  ARG  17           HG2      ARG  17 -10.221   9.017   7.902
  128    HG3  ARG  17           HG3      ARG  17 -11.249   8.812   6.482
  129    HD2  ARG  17           HD2      ARG  17 -12.296  10.208   8.232
  130    HD3  ARG  17           HD3      ARG  17 -13.221   8.754   7.861
  131    HE   ARG  17           HE       ARG  17 -12.395   7.783   9.910
  132   HH11  ARG  17          HH11      ARG  17 -11.916  11.230   9.549
  133   HH12  ARG  17          HH12      ARG  17 -11.720  11.509  11.246
  134   HH21  ARG  17          HH21      ARG  17 -12.137   8.138  12.139
  135   HH22  ARG  17          HH22      ARG  17 -11.850   9.744  12.727
  136    H    SER  18           H        SER  18  -8.122   5.185   8.637
  137    HA   SER  18           HA       SER  18  -6.402   7.531   8.992
  138    HB2  SER  18           HB2      SER  18  -7.393   5.714  11.194
  139    HB3  SER  18           HB3      SER  18  -6.249   7.040  11.400
  140    HG   SER  18           HG       SER  18  -8.250   8.139  10.212
  141    H    LYS  19           H        LYS  19  -4.272   6.851  10.041
  142    HA   LYS  19           HA       LYS  19  -3.230   4.703   8.389
  143    HB2  LYS  19           HB2      LYS  19  -1.649   6.398  10.313
  144    HB3  LYS  19           HB3      LYS  19  -1.090   5.598   8.849
  145    HG2  LYS  19           HG2      LYS  19  -3.060   7.869   8.875
  146    HG3  LYS  19           HG3      LYS  19  -1.327   8.064   8.672
  147    HD2  LYS  19           HD2      LYS  19  -1.339   6.927   6.602
  148    HD3  LYS  19           HD3      LYS  19  -2.962   6.292   6.881
  149    HE2  LYS  19           HE2      LYS  19  -3.833   8.610   6.790
  150    HE3  LYS  19           HE3      LYS  19  -2.214   9.173   6.383
  151    HZ1  LYS  19           HZ1      LYS  19  -2.317   7.914   4.378
  152    HZ2  LYS  19           HZ2      LYS  19  -3.647   8.849   4.448
  153    HZ3  LYS  19           HZ3      LYS  19  -3.755   7.258   4.777
  154    H    VAL  20           H        VAL  20  -4.898   4.241  10.777
  155    HA   VAL  20           HA       VAL  20  -3.168   3.091  12.796
  156    HB   VAL  20           HB       VAL  20  -6.094   2.581  12.844
  157   HG11  VAL  20          HG11      VAL  20  -4.659   1.807  14.651
  158   HG12  VAL  20          HG12      VAL  20  -5.793   3.030  15.225
  159   HG13  VAL  20          HG13      VAL  20  -4.109   3.459  14.935
  160   HG21  VAL  20          HG21      VAL  20  -6.025   4.857  12.025
  161   HG22  VAL  20          HG22      VAL  20  -4.901   5.306  13.312
  162   HG23  VAL  20          HG23      VAL  20  -6.551   4.831  13.712
  163    H    CYS  21           H        CYS  21  -2.983   1.842  10.214
  164    HA   CYS  21           HA       CYS  21  -4.529  -0.382   9.758
  165    HB2  CYS  21           HB2      CYS  21  -1.559  -0.101   9.302
  166    HB3  CYS  21           HB3      CYS  21  -2.622  -1.252   8.497
  167    HA   PRO  22           HA       PRO  22  -3.676  -3.112  13.193
  168    HB2  PRO  22           HB2      PRO  22  -4.950  -5.282  12.169
  169    HB3  PRO  22           HB3      PRO  22  -5.810  -3.909  12.874
  170    HG2  PRO  22           HG2      PRO  22  -5.276  -4.537   9.997
  171    HG3  PRO  22           HG3      PRO  22  -6.769  -3.955  10.756
  172    HD2  PRO  22           HD2      PRO  22  -5.086  -2.312   9.427
  173    HD3  PRO  22           HD3      PRO  22  -6.030  -1.772  10.829
  174    H    LYS  23           H        LYS  23  -3.091  -5.696  13.143
  175    HA   LYS  23           HA       LYS  23  -0.805  -5.889  11.308
  176    HB2  LYS  23           HB2      LYS  23   0.395  -5.791  13.205
  177    HB3  LYS  23           HB3      LYS  23  -0.999  -6.125  14.213
  178    HG2  LYS  23           HG2      LYS  23   0.292  -8.355  12.708
  179    HG3  LYS  23           HG3      LYS  23   1.038  -7.746  14.185
  180    HD2  LYS  23           HD2      LYS  23  -1.121  -8.117  15.362
  181    HD3  LYS  23           HD3      LYS  23  -1.755  -8.846  13.887
  182    HE2  LYS  23           HE2      LYS  23   0.621  -9.834  15.465
  183    HE3  LYS  23           HE3      LYS  23  -0.993 -10.543  15.481
  184    HZ1  LYS  23           HZ1      LYS  23   0.738 -10.362  13.118
  185    HZ2  LYS  23           HZ2      LYS  23  -0.725 -11.066  13.169
  186    HZ3  LYS  23           HZ3      LYS  23   0.509 -11.702  14.007
  187    HA   PRO  24           HA       PRO  24   0.484  -7.032  10.485
  188    HB2  PRO  24           HB2      PRO  24   1.103  -8.530   8.369
  189    HB3  PRO  24           HB3      PRO  24   1.415  -9.102  10.011
  190    HG2  PRO  24           HG2      PRO  24  -0.772  -9.843   8.122
  191    HG3  PRO  24           HG3      PRO  24   0.119 -10.865   9.262
  192    HD2  PRO  24           HD2      PRO  24  -2.409  -9.772   9.697
  193    HD3  PRO  24           HD3      PRO  24  -1.327 -10.392  10.957
  194    H    PHE  25           H        PHE  25  -0.410  -5.112   9.715
  195    HA   PHE  25           HA       PHE  25  -1.097  -5.108   6.878
  196    HB2  PHE  25           HB2      PHE  25  -2.836  -3.948   9.063
  197    HB3  PHE  25           HB3      PHE  25  -2.938  -3.407   7.393
  198    HD1  PHE  25           HD1      PHE  25  -4.314  -4.505   5.907
  199    HD2  PHE  25           HD2      PHE  25  -3.180  -6.440   9.519
  200    HE1  PHE  25           HE1      PHE  25  -5.883  -6.330   5.414
  201    HE2  PHE  25           HE2      PHE  25  -4.756  -8.269   9.036
  202    HZ   PHE  25           HZ       PHE  25  -6.096  -8.210   6.976
  203    H    ALA  26           H        ALA  26  -0.335  -3.359   5.818
  204    HA   ALA  26           HA       ALA  26   0.965  -1.304   7.483
  205    HB1  ALA  26           HB1      ALA  26   1.866  -2.114   4.729
  206    HB2  ALA  26           HB2      ALA  26   2.517  -2.826   6.204
  207    HB3  ALA  26           HB3      ALA  26   2.717  -1.100   5.894
  208    H    ALA  27           H        ALA  27   0.539   0.766   7.075
  209    HA   ALA  27           HA       ALA  27  -1.530   1.636   5.407
  210    HB1  ALA  27           HB1      ALA  27  -0.533   3.908   5.835
  211    HB2  ALA  27           HB2      ALA  27   0.781   3.098   6.684
  212    HB3  ALA  27           HB3      ALA  27  -0.870   2.965   7.286
  213    H    PHE  28           H        PHE  28  -1.281   0.957   3.289
  214    HA   PHE  28           HA       PHE  28   1.232   1.565   1.931
  215    HB2  PHE  28           HB2      PHE  28  -0.804  -0.450   1.651
  216    HB3  PHE  28           HB3      PHE  28  -0.604   0.400   0.129
  217    HD1  PHE  28           HD1      PHE  28   0.471  -2.295   1.995
  218    HD2  PHE  28           HD2      PHE  28   1.957   0.795  -0.517
  219    HE1  PHE  28           HE1      PHE  28   2.453  -3.660   1.503
  220    HE2  PHE  28           HE2      PHE  28   3.947  -0.560  -1.013
  221    HZ   PHE  28           HZ       PHE  28   4.197  -2.793  -0.004
  222    H    GLY  29           H        GLY  29   1.042   3.797   1.862
  223    HA2  GLY  29           HA2      GLY  29   0.563   5.791   0.845
  224    HA3  GLY  29           HA3      GLY  29   0.158   4.817  -0.555
  225    H    THR  30           H        THR  30  -1.662   5.506  -1.318
  226    HA   THR  30           HA       THR  30  -3.996   5.604   0.451
  227    HB   THR  30           HB       THR  30  -4.818   7.640  -0.659
  228    HG1  THR  30           HG1      THR  30  -3.085   7.053  -2.500
  229   HG21  THR  30          HG21      THR  30  -2.075   7.850   0.573
  230   HG22  THR  30          HG22      THR  30  -3.639   8.094   1.354
  231   HG23  THR  30          HG23      THR  30  -3.049   9.261   0.169
  232    H    CYS  31           H        CYS  31  -5.982   5.134  -0.668
  233    HA   CYS  31           HA       CYS  31  -5.555   3.609  -3.108
  234    HB2  CYS  31           HB2      CYS  31  -7.886   2.856  -2.788
  235    HB3  CYS  31           HB3      CYS  31  -6.886   2.558  -1.373
  236    H    SER  32           H        SER  32  -8.141   5.821  -2.115
  237    HA   SER  32           HA       SER  32  -8.203   6.872  -4.856
  238    HB2  SER  32           HB2      SER  32 -10.241   5.646  -4.027
  239    HB3  SER  32           HB3      SER  32 -10.428   6.889  -2.792
  240    HG   SER  32           HG       SER  32 -10.158   8.090  -5.159
  241    H    TRP  33           H        TRP  33  -9.303   7.979  -1.661
  242    HA   TRP  33           HA       TRP  33  -8.260  10.631  -2.216
  243    HB2  TRP  33           HB2      TRP  33  -9.556   9.798   0.371
  244    HB3  TRP  33           HB3      TRP  33  -9.532  11.386  -0.385
  245    HD1  TRP  33           HD1      TRP  33 -12.066   9.324   0.546
  246    HE1  TRP  33           HE1      TRP  33 -14.009   9.106  -1.128
  247    HE3  TRP  33           HE3      TRP  33  -9.712  11.020  -3.672
  248    HZ2  TRP  33           HZ2      TRP  33 -14.479   9.586  -3.861
  249    HZ3  TRP  33           HZ3      TRP  33 -10.992  11.107  -5.772
  250    HH2  TRP  33           HH2      TRP  33 -13.316  10.407  -5.861
  251    H    ARG  34           H        ARG  34  -7.066  11.681  -0.316
  252    HA   ARG  34           HA       ARG  34  -4.790   9.977   0.207
  253    HB2  ARG  34           HB2      ARG  34  -4.453  12.247  -0.648
  254    HB3  ARG  34           HB3      ARG  34  -5.240  12.908   0.777
  255    HG2  ARG  34           HG2      ARG  34  -2.906  11.154   1.234
  256    HG3  ARG  34           HG3      ARG  34  -2.607  12.734   0.520
  257    HD2  ARG  34           HD2      ARG  34  -4.138  12.255   3.068
  258    HD3  ARG  34           HD3      ARG  34  -2.445  12.743   2.986
  259    HE   ARG  34           HE       ARG  34  -3.795  14.617   1.512
  260   HH11  ARG  34          HH11      ARG  34  -4.021  13.426   4.791
  261   HH12  ARG  34          HH12      ARG  34  -4.535  14.951   5.442
  262   HH21  ARG  34          HH21      ARG  34  -4.477  16.623   2.362
  263   HH22  ARG  34          HH22      ARG  34  -4.794  16.771   4.061
  264    H    GLN  35           H        GLN  35  -7.385  11.489   1.931
  265    HA   GLN  35           HA       GLN  35  -6.596  11.238   4.570
  266    HB2  GLN  35           HB2      GLN  35  -9.365  10.603   3.551
  267    HB3  GLN  35           HB3      GLN  35  -8.934  11.167   5.158
  268    HG2  GLN  35           HG2      GLN  35  -8.143  13.293   4.097
  269    HG3  GLN  35           HG3      GLN  35  -8.825  12.703   2.581
  270   HE21  GLN  35          HE21      GLN  35 -11.060  11.388   3.937
  271   HE22  GLN  35          HE22      GLN  35 -12.145  12.658   4.383
  272    H    LYS  36           H        LYS  36  -8.371   8.828   2.640
  273    HA   LYS  36           HA       LYS  36  -8.036   6.843   4.692
  274    HB2  LYS  36           HB2      LYS  36  -9.176   5.326   3.049
  275    HB3  LYS  36           HB3      LYS  36 -10.108   6.723   3.537
  276    HG2  LYS  36           HG2      LYS  36  -9.067   7.766   1.355
  277    HG3  LYS  36           HG3      LYS  36  -8.892   6.065   0.914
  278    HD2  LYS  36           HD2      LYS  36 -11.457   7.435   1.727
  279    HD3  LYS  36           HD3      LYS  36 -11.004   6.963   0.089
  280    HE2  LYS  36           HE2      LYS  36 -11.470   4.785   0.446
  281    HE3  LYS  36           HE3      LYS  36 -10.919   4.837   2.113
  282    HZ1  LYS  36           HZ1      LYS  36 -13.316   4.493   1.869
  283    HZ2  LYS  36           HZ2      LYS  36 -13.464   5.972   1.210
  284    HZ3  LYS  36           HZ3      LYS  36 -12.961   5.817   2.745
  285    H    THR  37           H        THR  37  -6.992   4.873   4.461
  286    HA   THR  37           HA       THR  37  -4.552   5.110   2.824
  287    HB   THR  37           HB       THR  37  -4.793   3.644   5.445
  288    HG1  THR  37           HG1      THR  37  -5.351   5.811   5.821
  289   HG21  THR  37          HG21      THR  37  -2.396   3.920   5.527
  290   HG22  THR  37          HG22      THR  37  -2.422   4.893   4.058
  291   HG23  THR  37          HG23      THR  37  -2.840   3.181   3.989
  292    H    CYS  38           H        CYS  38  -3.813   3.276   1.753
  293    HA   CYS  38           HA       CYS  38  -5.760   1.134   1.481
  294    HB2  CYS  38           HB2      CYS  38  -4.256   2.368  -0.363
  295    HB3  CYS  38           HB3      CYS  38  -3.140   1.077   0.064
  296    H    CYS  39           H        CYS  39  -5.657  -0.316   3.103
  297    HA   CYS  39           HA       CYS  39  -2.998  -1.030   4.136
  298    HB2  CYS  39           HB2      CYS  39  -5.700  -1.237   5.468
  299    HB3  CYS  39           HB3      CYS  39  -4.167  -1.718   6.183
  300    H    VAL  40           H        VAL  40  -2.265  -2.849   3.358
  301    HA   VAL  40           HA       VAL  40  -4.164  -5.027   2.766
  302    HB   VAL  40           HB       VAL  40  -2.655  -4.049   0.922
  303   HG11  VAL  40          HG11      VAL  40  -0.597  -3.940   2.163
  304   HG12  VAL  40          HG12      VAL  40  -0.411  -4.988   0.760
  305   HG13  VAL  40          HG13      VAL  40  -0.592  -5.689   2.368
  306   HG21  VAL  40          HG21      VAL  40  -2.660  -7.019   1.436
  307   HG22  VAL  40          HG22      VAL  40  -2.337  -6.246  -0.120
  308   HG23  VAL  40          HG23      VAL  40  -3.925  -6.089   0.628
  309    H    ASP  41           H        ASP  41  -3.585  -7.195   3.421
  310    HA   ASP  41           HA       ASP  41  -2.298  -7.357   5.909
  311    HB2  ASP  41           HB2      ASP  41  -2.668  -9.777   5.606
  312    HB3  ASP  41           HB3      ASP  41  -4.115  -8.837   5.377
  313    H    THR  42           H        THR  42  -0.240  -6.690   5.790
  314    HA   THR  42           HA       THR  42   1.417  -7.393   3.562
  315    HB   THR  42           HB       THR  42   3.136  -6.052   4.941
  316    HG1  THR  42           HG1      THR  42   1.911  -6.341   6.936
  317   HG21  THR  42          HG21      THR  42   1.786  -5.166   3.036
  318   HG22  THR  42          HG22      THR  42   2.187  -3.955   4.249
  319   HG23  THR  42          HG23      THR  42   0.566  -4.646   4.199
  320    H    THR  43           H        THR  43   1.445  -9.721   3.908
  321    HA   THR  43           HA       THR  43   3.565 -10.416   5.811
  322    HB   THR  43           HB       THR  43   1.720 -11.753   6.381
  323    HG1  THR  43           HG1      THR  43   2.455 -13.914   5.422
  324   HG21  THR  43          HG21      THR  43   0.218 -12.789   4.967
  325   HG22  THR  43          HG22      THR  43   1.360 -12.864   3.633
  326   HG23  THR  43          HG23      THR  43   0.607 -11.327   4.059
  327    H    SER  44           H        SER  44   2.480 -11.909   2.735
  328    HA   SER  44           HA       SER  44   5.253 -11.909   1.821
  329    HB2  SER  44           HB2      SER  44   3.920 -14.019   1.732
  330    HB3  SER  44           HB3      SER  44   2.849 -13.232   0.580
  331    HG   SER  44           HG       SER  44   5.225 -14.423   0.150
  332    H    ASP  45           H        ASP  45   2.024 -10.964   0.732
  333    HA   ASP  45           HA       ASP  45   2.750  -9.914  -1.767
  334    HB2  ASP  45           HB2      ASP  45   0.336  -9.160  -0.109
  335    HB3  ASP  45           HB3      ASP  45   0.502  -9.020  -1.854
  336    H    PHE  46           H        PHE  46   3.234  -8.684   1.290
  337    HA   PHE  46           HA       PHE  46   2.725  -5.967   1.075
  338    HB2  PHE  46           HB2      PHE  46   3.997  -5.678   3.033
  339    HB3  PHE  46           HB3      PHE  46   3.255  -7.261   3.140
  340    HD1  PHE  46           HD1      PHE  46   4.897  -8.925   1.572
  341    HD2  PHE  46           HD2      PHE  46   5.992  -5.812   4.207
  342    HE1  PHE  46           HE1      PHE  46   7.027 -10.058   1.970
  343    HE2  PHE  46           HE2      PHE  46   8.157  -6.905   4.619
  344    HZ   PHE  46           HZ       PHE  46   8.693  -9.038   3.494
  345    H    HIS  47           H        HIS  47   5.108  -7.816  -0.336
  346    HA   HIS  47           HA       HIS  47   7.199  -6.070  -0.820
  347    HB2  HIS  47           HB2      HIS  47   7.598  -8.270  -1.386
  348    HB3  HIS  47           HB3      HIS  47   6.035  -8.470  -2.160
  349    HD1  HIS  47           HD1      HIS  47   9.279  -6.591  -2.864
  350    HD2  HIS  47           HD2      HIS  47   6.201  -8.600  -4.795
  351    HE1  HIS  47           HE1      HIS  47   9.884  -6.542  -5.290
  352    HE2  HIS  47           HE2      HIS  47   7.952  -7.660  -6.473
  353    H    THR  48           H        THR  48   4.071  -5.533  -1.621
  354    HA   THR  48           HA       THR  48   3.776  -4.634  -4.172
  355    HB   THR  48           HB       THR  48   2.653  -3.398  -1.676
  356    HG1  THR  48           HG1      THR  48   2.409  -5.855  -2.631
  357   HG21  THR  48          HG21      THR  48   1.520  -3.466  -4.467
  358   HG22  THR  48          HG22      THR  48   2.188  -2.047  -3.657
  359   HG23  THR  48          HG23      THR  48   0.726  -2.812  -3.034
  360    H    CYS  49           H        CYS  49   6.012  -3.214  -2.041
  361    HA   CYS  49           HA       CYS  49   5.838  -0.529  -2.145
  362    HB2  CYS  49           HB2      CYS  49   7.784  -0.892  -1.123
  363    HB3  CYS  49           HB3      CYS  49   8.070  -2.395  -1.982
  364    H    GLN  50           H        GLN  50   7.250  -2.387  -4.890
  365    HA   GLN  50           HA       GLN  50   7.944  -0.096  -6.354
  366    HB2  GLN  50           HB2      GLN  50   8.395  -1.532  -8.184
  367    HB3  GLN  50           HB3      GLN  50   8.835  -2.413  -6.741
  368    HG2  GLN  50           HG2      GLN  50   6.261  -2.772  -8.264
  369    HG3  GLN  50           HG3      GLN  50   7.685  -3.793  -8.435
  370   HE21  GLN  50          HE21      GLN  50   8.373  -3.851  -5.662
  371   HE22  GLN  50          HE22      GLN  50   7.169  -4.793  -4.850
  372    H    ASP  51           H        ASP  51   4.914  -1.761  -6.041
  373    HA   ASP  51           HA       ASP  51   3.743  -0.596  -8.411
  374    HB2  ASP  51           HB2      ASP  51   3.052  -2.822  -7.446
  375    HB3  ASP  51           HB3      ASP  51   2.323  -1.943  -6.103
  376    H    LYS  52           H        LYS  52   3.844   0.055  -4.970
  377    HA   LYS  52           HA       LYS  52   1.785   2.035  -4.994
  378    HB2  LYS  52           HB2      LYS  52   1.905   1.364  -2.861
  379    HB3  LYS  52           HB3      LYS  52   3.468   0.623  -3.113
  380    HG2  LYS  52           HG2      LYS  52   3.868   2.124  -1.452
  381    HG3  LYS  52           HG3      LYS  52   4.384   3.009  -2.878
  382    HD2  LYS  52           HD2      LYS  52   2.058   4.024  -2.926
  383    HD3  LYS  52           HD3      LYS  52   1.821   3.335  -1.321
  384    HE2  LYS  52           HE2      LYS  52   4.087   5.189  -2.018
  385    HE3  LYS  52           HE3      LYS  52   2.545   5.743  -1.375
  386    HZ1  LYS  52           HZ1      LYS  52   2.982   4.366   0.557
  387    HZ2  LYS  52           HZ2      LYS  52   4.131   5.502   0.358
  388    HZ3  LYS  52           HZ3      LYS  52   4.438   3.949  -0.039
  389    H    GLY  53           H        GLY  53   5.131   1.964  -5.699
  390    HA2  GLY  53           HA2      GLY  53   5.994   3.926  -6.922
  391    HA3  GLY  53           HA3      GLY  53   5.210   4.917  -5.699
  392    H    GLY  54           H        GLY  54   6.824   1.976  -4.825
  393    HA2  GLY  54           HA2      GLY  54   8.568   3.266  -3.008
  394    HA3  GLY  54           HA3      GLY  54   8.654   1.574  -3.497
  395    H    HIS  55           H        HIS  55  10.566   4.009  -3.209
  396    HA   HIS  55           HA       HIS  55  11.731   3.949  -5.905
  397    HB2  HIS  55           HB2      HIS  55  12.055   5.883  -3.617
  398    HB3  HIS  55           HB3      HIS  55  13.087   5.913  -5.041
  399    HD1  HIS  55           HD1      HIS  55  12.161   6.994  -7.137
  400    HD2  HIS  55           HD2      HIS  55   9.327   6.570  -4.119
  401    HE1  HIS  55           HE1      HIS  55  10.165   8.332  -7.886
  402    HE2  HIS  55           HE2      HIS  55   8.411   7.925  -6.121
  403    H    CYS  56           H        CYS  56  14.228   4.300  -5.775
  404    HA   CYS  56           HA       CYS  56  15.355   2.463  -3.783
  405    HB2  CYS  56           HB2      CYS  56  15.770   2.451  -6.767
  406    HB3  CYS  56           HB3      CYS  56  16.893   1.673  -5.657
  407    H    VAL  57           H        VAL  57  16.940   3.389  -2.688
  408    HA   VAL  57           HA       VAL  57  18.458   5.536  -4.000
  409    HB   VAL  57           HB       VAL  57  18.419   6.865  -1.974
  410   HG11  VAL  57          HG11      VAL  57  16.092   7.568  -1.997
  411   HG12  VAL  57          HG12      VAL  57  15.644   6.067  -2.808
  412   HG13  VAL  57          HG13      VAL  57  16.678   7.236  -3.629
  413   HG21  VAL  57          HG21      VAL  57  18.262   5.135  -0.297
  414   HG22  VAL  57          HG22      VAL  57  16.637   4.717  -0.841
  415   HG23  VAL  57          HG23      VAL  57  16.940   6.285  -0.088
  416    H    SER  58           H        SER  58  20.565   5.704  -3.498
  417    HA   SER  58           HA       SER  58  21.834   3.351  -2.488
  418    HB2  SER  58           HB2      SER  58  23.906   4.534  -3.161
  419    HB3  SER  58           HB3      SER  58  22.703   4.534  -4.441
  420    HG   SER  58           HG       SER  58  23.023   6.600  -4.435
  421    HA   PRO  59           HA       PRO  59  22.865   4.295   1.743
  422    HB2  PRO  59           HB2      PRO  59  25.695   4.582   0.839
  423    HB3  PRO  59           HB3      PRO  59  25.038   3.680   2.208
  424    HG2  PRO  59           HG2      PRO  59  25.772   2.471  -0.079
  425    HG3  PRO  59           HG3      PRO  59  24.421   1.891   0.907
  426    HD2  PRO  59           HD2      PRO  59  24.386   3.218  -1.718
  427    HD3  PRO  59           HD3      PRO  59  23.149   2.215  -0.946
  428    H    LYS  60           H        LYS  60  24.579   6.286  -0.668
  429    HA   LYS  60           HA       LYS  60  25.145   8.411   1.117
  430    HB2  LYS  60           HB2      LYS  60  25.813   9.661  -0.839
  431    HB3  LYS  60           HB3      LYS  60  26.423   8.022  -0.945
  432    HG2  LYS  60           HG2      LYS  60  24.649   7.444  -2.498
  433    HG3  LYS  60           HG3      LYS  60  23.988   9.071  -2.367
  434    HD2  LYS  60           HD2      LYS  60  26.807   8.572  -3.278
  435    HD3  LYS  60           HD3      LYS  60  25.450   8.531  -4.400
  436    HE2  LYS  60           HE2      LYS  60  26.258  10.714  -4.571
  437    HE3  LYS  60           HE3      LYS  60  24.873  10.857  -3.497
  438    HZ1  LYS  60           HZ1      LYS  60  26.353  10.972  -1.655
  439    HZ2  LYS  60           HZ2      LYS  60  26.829  12.077  -2.743
  440    HZ3  LYS  60           HZ3      LYS  60  27.656  10.689  -2.587
  441    H    ILE  61           H        ILE  61  22.241   7.532  -0.472
  442    HA   ILE  61           HA       ILE  61  21.238  10.228  -0.770
  443    HB   ILE  61           HB       ILE  61  19.688   7.647  -0.904
  444   HG12  ILE  61          HG12      ILE  61  21.663   7.797  -2.463
  445   HG13  ILE  61          HG13      ILE  61  20.105   7.529  -3.231
  446   HG21  ILE  61          HG21      ILE  61  18.314   9.639  -0.647
  447   HG22  ILE  61          HG22      ILE  61  18.110   8.940  -2.252
  448   HG23  ILE  61          HG23      ILE  61  19.107  10.377  -2.039
  449   HD11  ILE  61          HD11      ILE  61  21.610  10.126  -3.084
  450   HD12  ILE  61          HD12      ILE  61  20.020   9.904  -3.815
  451   HD13  ILE  61          HD13      ILE  61  21.424   9.085  -4.497
  452    H    ARG  62           H        ARG  62  20.064  11.311   0.646
  453    HA   ARG  62           HA       ARG  62  19.336   9.941   3.128
  454    HB2  ARG  62           HB2      ARG  62  19.813  12.873   2.583
  455    HB3  ARG  62           HB3      ARG  62  19.222  12.239   4.118
  456    HG2  ARG  62           HG2      ARG  62  21.247  10.842   4.277
  457    HG3  ARG  62           HG3      ARG  62  21.853  11.599   2.805
  458    HD2  ARG  62           HD2      ARG  62  21.861  13.767   3.897
  459    HD3  ARG  62           HD3      ARG  62  21.186  13.050   5.362
  460    HE   ARG  62           HE       ARG  62  23.648  11.837   4.495
  461   HH11  ARG  62          HH11      ARG  62  22.268  14.459   6.361
  462   HH12  ARG  62          HH12      ARG  62  23.641  14.599   7.410
  463   HH21  ARG  62          HH21      ARG  62  25.451  12.014   5.881
  464   HH22  ARG  62          HH22      ARG  62  25.452  13.215   7.133
  465    H    CYS  63           H        CYS  63  17.542   9.040   2.428
  466    HA   CYS  63           HA       CYS  63  15.204  10.766   2.071
  467    HB2  CYS  63           HB2      CYS  63  15.799   9.938  -0.136
  468    HB3  CYS  63           HB3      CYS  63  15.914   8.295   0.478
  469    H    LEU  64           H        LEU  64  13.209   9.741   2.770
  470    HA   LEU  64           HA       LEU  64  13.577   8.170   5.118
  471    HB2  LEU  64           HB2      LEU  64  11.121   8.940   3.551
  472    HB3  LEU  64           HB3      LEU  64  11.045   7.997   5.024
  473    HG   LEU  64           HG       LEU  64  10.522  10.222   5.627
  474   HD11  LEU  64          HD11      LEU  64  12.060   9.074   7.148
  475   HD12  LEU  64          HD12      LEU  64  12.261  10.824   7.182
  476   HD13  LEU  64          HD13      LEU  64  13.422   9.820   6.316
  477   HD21  LEU  64          HD21      LEU  64  11.364  11.337   3.618
  478   HD22  LEU  64          HD22      LEU  64  13.016  11.128   4.198
  479   HD23  LEU  64          HD23      LEU  64  11.893  12.153   5.088
  480    H    GLU  65           H        GLU  65  14.680   6.378   4.428
  481    HA   GLU  65           HA       GLU  65  13.586   4.754   2.307
  482    HB2  GLU  65           HB2      GLU  65  15.618   3.487   2.389
  483    HB3  GLU  65           HB3      GLU  65  16.018   5.195   2.438
  484    HG2  GLU  65           HG2      GLU  65  15.856   3.513   4.920
  485    HG3  GLU  65           HG3      GLU  65  17.325   3.639   3.958
  486    H    GLU  66           H        GLU  66  13.696   2.350   2.595
  487    HA   GLU  66           HA       GLU  66  13.185   0.395   3.595
  488    HB2  GLU  66           HB2      GLU  66  13.056   2.000   6.141
  489    HB3  GLU  66           HB3      GLU  66  12.771   0.263   6.057
  490    HG2  GLU  66           HG2      GLU  66  14.977  -0.131   5.254
  491    HG3  GLU  66           HG3      GLU  66  15.269   1.599   5.091
  492    H    GLN  67           H        GLN  67  11.479   1.315   2.071
  493    HA   GLN  67           HA       GLN  67   8.868   1.549   3.273
  494    HB2  GLN  67           HB2      GLN  67   9.379   2.587   1.084
  495    HB3  GLN  67           HB3      GLN  67   9.632   0.988   0.399
  496    HG2  GLN  67           HG2      GLN  67   7.315   0.417   0.777
  497    HG3  GLN  67           HG3      GLN  67   7.039   1.958   1.584
  498   HE21  GLN  67          HE21      GLN  67   5.750   0.821  -0.778
  499   HE22  GLN  67          HE22      GLN  67   5.998   1.969  -2.050
  500    H    LEU  68           H        LEU  68   9.680  -0.778   0.743
  501    HA   LEU  68           HA       LEU  68   9.166  -3.006   2.553
  502    HB2  LEU  68           HB2      LEU  68   7.533  -2.369   0.119
  503    HB3  LEU  68           HB3      LEU  68   7.756  -4.031   0.616
  504    HG   LEU  68           HG       LEU  68   5.692  -3.430   1.514
  505   HD11  LEU  68          HD11      LEU  68   7.192  -4.500   3.149
  506   HD12  LEU  68          HD12      LEU  68   5.949  -3.493   3.892
  507   HD13  LEU  68          HD13      LEU  68   7.606  -2.903   3.772
  508   HD21  LEU  68          HD21      LEU  68   5.778  -1.054   1.114
  509   HD22  LEU  68          HD22      LEU  68   6.928  -0.850   2.437
  510   HD23  LEU  68          HD23      LEU  68   5.275  -1.371   2.774
  511    H    GLY  69           H        GLY  69  11.473  -3.314   2.204
  512    HA2  GLY  69           HA2      GLY  69  12.337  -5.459   1.314
  513    HA3  GLY  69           HA3      GLY  69  11.769  -4.920  -0.254
  514    H    LEU  70           H        LEU  70  14.151  -5.781  -0.309
  515    HA   LEU  70           HA       LEU  70  16.024  -3.531  -0.078
  516    HB2  LEU  70           HB2      LEU  70  16.385  -5.977   0.841
  517    HB3  LEU  70           HB3      LEU  70  16.788  -6.335  -0.823
  518    HG   LEU  70           HG       LEU  70  18.203  -4.201   0.771
  519   HD11  LEU  70          HD11      LEU  70  18.488  -6.334   1.901
  520   HD12  LEU  70          HD12      LEU  70  19.987  -5.837   1.114
  521   HD13  LEU  70          HD13      LEU  70  18.977  -7.087   0.384
  522   HD21  LEU  70          HD21      LEU  70  18.997  -5.704  -1.716
  523   HD22  LEU  70          HD22      LEU  70  19.931  -4.445  -0.909
  524   HD23  LEU  70          HD23      LEU  70  18.391  -4.049  -1.671
  525    H    CYS  71           H        CYS  71  16.908  -2.649  -1.886
  526    HA   CYS  71           HA       CYS  71  15.488  -3.078  -4.342
  527    HB2  CYS  71           HB2      CYS  71  17.539  -1.115  -3.388
  528    HB3  CYS  71           HB3      CYS  71  17.115  -1.200  -5.096
  529    HA   PRO  72           HA       PRO  72  18.040  -5.478  -7.081
  530    HB2  PRO  72           HB2      PRO  72  18.727  -2.813  -8.293
  531    HB3  PRO  72           HB3      PRO  72  18.373  -4.353  -9.099
  532    HG2  PRO  72           HG2      PRO  72  16.491  -2.478  -8.869
  533    HG3  PRO  72           HG3      PRO  72  16.095  -4.196  -8.693
  534    HD2  PRO  72           HD2      PRO  72  16.201  -2.072  -6.646
  535    HD3  PRO  72           HD3      PRO  72  15.325  -3.614  -6.629
  536    H    LEU  73           H        LEU  73  19.742  -2.343  -6.516
  537    HA   LEU  73           HA       LEU  73  22.263  -3.653  -6.214
  538    HB2  LEU  73           HB2      LEU  73  21.432  -0.893  -5.327
  539    HB3  LEU  73           HB3      LEU  73  23.057  -1.525  -5.216
  540    HG   LEU  73           HG       LEU  73  23.201  -0.238  -7.059
  541   HD11  LEU  73          HD11      LEU  73  23.925  -2.488  -7.606
  542   HD12  LEU  73          HD12      LEU  73  23.332  -1.618  -9.021
  543   HD13  LEU  73          HD13      LEU  73  22.322  -2.845  -8.252
  544   HD21  LEU  73          HD21      LEU  73  21.033   0.582  -7.298
  545   HD22  LEU  73          HD22      LEU  73  20.383  -1.012  -7.700
  546   HD23  LEU  73          HD23      LEU  73  21.420  -0.167  -8.849
  547    H    LYS  74           H        LYS  74  23.350  -4.158  -4.395
  548    HA   LYS  74           HA       LYS  74  21.640  -5.256  -2.402
  549    HB2  LYS  74           HB2      LYS  74  23.679  -6.380  -3.236
  550    HB3  LYS  74           HB3      LYS  74  24.655  -5.144  -2.454
  551    HG2  LYS  74           HG2      LYS  74  24.605  -7.143  -1.104
  552    HG3  LYS  74           HG3      LYS  74  23.759  -5.835  -0.276
  553    HD2  LYS  74           HD2      LYS  74  21.615  -6.753  -1.060
  554    HD3  LYS  74           HD3      LYS  74  22.482  -8.082  -1.832
  555    HE2  LYS  74           HE2      LYS  74  22.404  -7.449   1.113
  556    HE3  LYS  74           HE3      LYS  74  21.595  -8.792   0.306
  557    HZ1  LYS  74           HZ1      LYS  74  24.493  -8.406   0.554
  558    HZ2  LYS  74           HZ2      LYS  74  23.799  -9.595  -0.314
  559    HZ3  LYS  74           HZ3      LYS  74  23.598  -9.548   1.297
  560    H    ARG  75           H        ARG  75  23.562  -2.384  -2.570
  561    HA   ARG  75           HA       ARG  75  23.539  -1.995   0.315
  562    HB2  ARG  75           HB2      ARG  75  24.650  -0.334  -1.937
  563    HB3  ARG  75           HB3      ARG  75  24.794   0.078  -0.232
  564    HG2  ARG  75           HG2      ARG  75  26.128  -1.831   0.206
  565    HG3  ARG  75           HG3      ARG  75  25.807  -2.493  -1.397
  566    HD2  ARG  75           HD2      ARG  75  27.278   0.067  -0.831
  567    HD3  ARG  75           HD3      ARG  75  28.036  -1.477  -1.217
  568    HE   ARG  75           HE       ARG  75  26.138  -0.675  -3.204
  569   HH11  ARG  75          HH11      ARG  75  29.416  -0.232  -2.071
  570   HH12  ARG  75          HH12      ARG  75  30.027   0.270  -3.616
  571   HH21  ARG  75          HH21      ARG  75  26.926   0.004  -5.248
  572   HH22  ARG  75          HH22      ARG  75  28.606   0.402  -5.428
  573    H    TRP  76           H        TRP  76  21.357  -1.518  -2.083
  574    HA   TRP  76           HA       TRP  76  20.530   1.147  -1.196
  575    HB2  TRP  76           HB2      TRP  76  19.658  -0.501  -3.571
  576    HB3  TRP  76           HB3      TRP  76  19.039   1.095  -3.173
  577    HD1  TRP  76           HD1      TRP  76  22.761   0.024  -3.190
  578    HE1  TRP  76           HE1      TRP  76  23.997   1.485  -4.909
  579    HE3  TRP  76           HE3      TRP  76  18.796   2.688  -4.984
  580    HZ2  TRP  76           HZ2      TRP  76  23.360   3.485  -6.760
  581    HZ3  TRP  76           HZ3      TRP  76  19.191   4.386  -6.703
  582    HH2  TRP  76           HH2      TRP  76  21.442   4.786  -7.560
  583    H    THR  77           H        THR  77  18.559   1.555  -0.347
  584    HA   THR  77           HA       THR  77  16.945  -0.795   0.388
  585    HB   THR  77           HB       THR  77  16.927   1.928   1.701
  586    HG1  THR  77           HG1      THR  77  18.900   0.333   1.825
  587   HG21  THR  77          HG21      THR  77  15.802  -0.751   2.513
  588   HG22  THR  77          HG22      THR  77  14.885   0.679   2.038
  589   HG23  THR  77          HG23      THR  77  15.822   0.687   3.531
  590    H    CYS  78           H        CYS  78  14.754  -0.803  -0.062
  591    HA   CYS  78           HA       CYS  78  13.742   0.950  -2.053
  592    HB2  CYS  78           HB2      CYS  78  12.843  -1.307  -1.818
  593    HB3  CYS  78           HB3      CYS  78  12.310  -0.953  -0.179
  594    H    CYS  79           H        CYS  79  13.050   2.963  -1.773
  595    HA   CYS  79           HA       CYS  79  12.632   3.854   0.991
  596    HB2  CYS  79           HB2      CYS  79  14.462   4.994   0.126
  597    HB3  CYS  79           HB3      CYS  79  13.713   5.230  -1.446
  598    H    LYS  80           H        LYS  80  10.913   5.101   1.568
  599    HA   LYS  80           HA       LYS  80   8.622   4.725  -0.183
  600    HB2  LYS  80           HB2      LYS  80   8.586   4.048   2.250
  601    HB3  LYS  80           HB3      LYS  80   8.609   5.763   2.645
  602    HG2  LYS  80           HG2      LYS  80   6.552   5.992   1.200
  603    HG3  LYS  80           HG3      LYS  80   6.487   4.229   1.184
  604    HD2  LYS  80           HD2      LYS  80   6.466   5.936   3.663
  605    HD3  LYS  80           HD3      LYS  80   5.038   5.247   2.892
  606    HE2  LYS  80           HE2      LYS  80   5.897   3.003   3.274
  607    HE3  LYS  80           HE3      LYS  80   7.358   3.671   3.998
  608    HZ1  LYS  80           HZ1      LYS  80   6.073   4.517   5.775
  609    HZ2  LYS  80           HZ2      LYS  80   5.665   2.955   5.604
  610    HZ3  LYS  80           HZ3      LYS  80   4.665   4.113   5.067
  611    H    GLU  81           H        GLU  81   8.790   6.315  -1.682
  612    HA   GLU  81           HA       GLU  81   8.108   8.276  -2.590
  613    HB2  GLU  81           HB2      GLU  81   7.064   8.787   0.196
  614    HB3  GLU  81           HB3      GLU  81   6.704   9.782  -1.208
  615    HG2  GLU  81           HG2      GLU  81   5.467   8.081  -2.237
  616    HG3  GLU  81           HG3      GLU  81   6.106   6.847  -1.157
  617    H    ILE  82           H        ILE  82  10.143   9.031  -3.048
  618    HA   ILE  82           HA       ILE  82  11.738  10.490  -1.182
  619    HB   ILE  82           HB       ILE  82  11.926  10.562  -4.201
  620   HG12  ILE  82          HG12      ILE  82  13.365   8.747  -2.243
  621   HG13  ILE  82          HG13      ILE  82  12.091   8.248  -3.354
  622   HG21  ILE  82          HG21      ILE  82  13.931  11.227  -2.048
  623   HG22  ILE  82          HG22      ILE  82  13.116  12.372  -3.112
  624   HG23  ILE  82          HG23      ILE  82  14.262  11.210  -3.781
  625   HD11  ILE  82          HD11      ILE  82  13.515   8.816  -5.252
  626   HD12  ILE  82          HD12      ILE  82  14.292   7.638  -4.192
  627   HD13  ILE  82          HD13      ILE  82  14.789   9.329  -4.146
  Start of MODEL    4
    1    H1   LEU   1           H1       LEU   1 -18.122   4.459  -4.133
    2    H2   LEU   1           H2       LEU   1 -18.107   2.915  -3.636
    3    H3   LEU   1           H3       LEU   1 -17.479   3.306  -5.084
    4    HA   LEU   1           HA       LEU   1 -16.437   4.166  -2.494
    5    HB2  LEU   1           HB2      LEU   1 -15.503   2.095  -4.466
    6    HB3  LEU   1           HB3      LEU   1 -14.438   2.774  -3.258
    7    HG   LEU   1           HG       LEU   1 -16.963   1.268  -2.683
    8   HD11  LEU   1          HD11      LEU   1 -15.285  -0.182  -3.673
    9   HD12  LEU   1          HD12      LEU   1 -15.495  -0.546  -1.960
   10   HD13  LEU   1          HD13      LEU   1 -14.097   0.383  -2.500
   11   HD21  LEU   1          HD21      LEU   1 -14.777   2.261  -0.868
   12   HD22  LEU   1          HD22      LEU   1 -16.100   1.206  -0.376
   13   HD23  LEU   1          HD23      LEU   1 -16.441   2.846  -0.925
   14    HA   PRO   2           HA       PRO   2 -14.089   7.351  -4.491
   15    HB2  PRO   2           HB2      PRO   2 -11.649   6.097  -3.337
   16    HB3  PRO   2           HB3      PRO   2 -12.234   7.759  -3.197
   17    HG2  PRO   2           HG2      PRO   2 -12.469   6.100  -1.146
   18    HG3  PRO   2           HG3      PRO   2 -13.810   7.199  -1.558
   19    HD2  PRO   2           HD2      PRO   2 -13.496   4.274  -2.155
   20    HD3  PRO   2           HD3      PRO   2 -14.934   5.148  -1.593
   21    H    ARG   3           H        ARG   3 -12.266   7.729  -5.970
   22    HA   ARG   3           HA       ARG   3 -12.666   6.361  -8.289
   23    HB2  ARG   3           HB2      ARG   3 -11.638   8.582  -8.109
   24    HB3  ARG   3           HB3      ARG   3 -10.161   7.845  -7.506
   25    HG2  ARG   3           HG2      ARG   3  -9.949   6.623  -9.647
   26    HG3  ARG   3           HG3      ARG   3 -11.367   7.492 -10.241
   27    HD2  ARG   3           HD2      ARG   3  -8.720   8.657  -9.406
   28    HD3  ARG   3           HD3      ARG   3  -9.410   8.621 -11.028
   29    HE   ARG   3           HE       ARG   3 -11.260  10.032  -9.870
   30   HH11  ARG   3          HH11      ARG   3  -7.804  10.243  -9.331
   31   HH12  ARG   3          HH12      ARG   3  -7.864  11.891  -8.798
   32   HH21  ARG   3          HH21      ARG   3 -11.331  12.207  -9.170
   33   HH22  ARG   3          HH22      ARG   3  -9.861  13.007  -8.711
   34    H    ASP   4           H        ASP   4  -9.966   5.809  -6.027
   35    HA   ASP   4           HA       ASP   4  -9.170   3.559  -7.748
   36    HB2  ASP   4           HB2      ASP   4  -7.508   5.355  -6.002
   37    HB3  ASP   4           HB3      ASP   4  -6.900   3.833  -6.644
   38    H    THR   5           H        THR   5 -10.923   3.833  -5.101
   39    HA   THR   5           HA       THR   5  -9.501   2.206  -3.246
   40    HB   THR   5           HB       THR   5 -12.465   2.778  -3.398
   41    HG1  THR   5           HG1      THR   5 -10.749   3.916  -1.497
   42   HG21  THR   5          HG21      THR   5 -12.500   2.119  -1.037
   43   HG22  THR   5          HG22      THR   5 -10.793   1.688  -1.127
   44   HG23  THR   5          HG23      THR   5 -11.983   0.778  -2.060
   45    H    SER   6           H        SER   6 -12.029   1.492  -5.649
   46    HA   SER   6           HA       SER   6 -12.291  -1.236  -4.953
   47    HB2  SER   6           HB2      SER   6 -13.995   0.022  -6.214
   48    HB3  SER   6           HB3      SER   6 -12.902   0.116  -7.590
   49    HG   SER   6           HG       SER   6 -13.048  -2.085  -7.850
   50    H    ARG   7           H        ARG   7 -10.097   0.520  -7.004
   51    HA   ARG   7           HA       ARG   7  -8.898  -1.779  -8.210
   52    HB2  ARG   7           HB2      ARG   7  -8.653   0.339  -9.328
   53    HB3  ARG   7           HB3      ARG   7  -7.970   1.082  -7.887
   54    HG2  ARG   7           HG2      ARG   7  -6.421  -1.207  -8.695
   55    HG3  ARG   7           HG3      ARG   7  -6.583  -0.051 -10.019
   56    HD2  ARG   7           HD2      ARG   7  -5.720   0.703  -7.230
   57    HD3  ARG   7           HD3      ARG   7  -4.590   0.263  -8.506
   58    HE   ARG   7           HE       ARG   7  -6.454   2.516  -8.866
   59   HH11  ARG   7          HH11      ARG   7  -3.184   1.240  -8.796
   60   HH12  ARG   7          HH12      ARG   7  -2.463   2.728  -9.312
   61   HH21  ARG   7          HH21      ARG   7  -5.499   4.472  -9.538
   62   HH22  ARG   7          HH22      ARG   7  -3.769   4.565  -9.729
   63    H    CYS   8           H        CYS   8  -8.142   0.301  -5.468
   64    HA   CYS   8           HA       CYS   8  -5.587  -0.785  -4.961
   65    HB2  CYS   8           HB2      CYS   8  -6.822   1.428  -4.156
   66    HB3  CYS   8           HB3      CYS   8  -7.164   0.416  -2.761
   67    H    VAL   9           H        VAL   9  -8.793  -1.487  -3.664
   68    HA   VAL   9           HA       VAL   9  -8.111  -2.818  -1.350
   69    HB   VAL   9           HB       VAL   9 -10.389  -2.160  -1.858
   70   HG11  VAL   9          HG11      VAL   9 -10.387  -4.381  -3.890
   71   HG12  VAL   9          HG12      VAL   9 -10.411  -2.650  -4.234
   72   HG13  VAL   9          HG13      VAL   9 -11.782  -3.408  -3.419
   73   HG21  VAL   9          HG21      VAL   9 -11.572  -4.164  -1.080
   74   HG22  VAL   9          HG22      VAL   9 -10.077  -3.893  -0.185
   75   HG23  VAL   9          HG23      VAL   9 -10.142  -5.135  -1.434
   76    H    GLY  10           H        GLY  10  -8.207  -4.118  -4.632
   77    HA2  GLY  10           HA2      GLY  10  -7.674  -6.809  -3.689
   78    HA3  GLY  10           HA3      GLY  10  -7.802  -6.295  -5.366
   79    H    TYR  11           H        TYR  11  -5.838  -4.055  -4.659
   80    HA   TYR  11           HA       TYR  11  -3.518  -5.682  -5.362
   81    HB2  TYR  11           HB2      TYR  11  -4.185  -2.773  -5.696
   82    HB3  TYR  11           HB3      TYR  11  -2.541  -3.361  -5.889
   83    HD1  TYR  11           HD1      TYR  11  -2.919  -5.909  -7.257
   84    HD2  TYR  11           HD2      TYR  11  -4.922  -2.202  -7.816
   85    HE1  TYR  11           HE1      TYR  11  -3.400  -6.530  -9.581
   86    HE2  TYR  11           HE2      TYR  11  -5.413  -2.813 -10.146
   87    HH   TYR  11           HH       TYR  11  -5.025  -5.968 -11.335
   88    H    HIS  12           H        HIS  12  -4.181  -2.852  -3.300
   89    HA   HIS  12           HA       HIS  12  -1.753  -3.549  -1.780
   90    HB2  HIS  12           HB2      HIS  12  -2.804  -0.741  -1.883
   91    HB3  HIS  12           HB3      HIS  12  -1.162  -1.304  -1.605
   92    HD1  HIS  12           HD1      HIS  12  -3.007   0.428  -4.031
   93    HD2  HIS  12           HD2      HIS  12  -0.203  -2.631  -4.214
   94    HE1  HIS  12           HE1      HIS  12  -2.128   0.455  -6.389
   95    HE2  HIS  12           HE2      HIS  12  -0.433  -1.418  -6.489
   96    H    GLY  13           H        GLY  13  -4.848  -3.949  -1.504
   97    HA2  GLY  13           HA2      GLY  13  -5.727  -4.734   0.567
   98    HA3  GLY  13           HA3      GLY  13  -4.728  -3.554   1.398
   99    H    TYR  14           H        TYR  14  -7.037  -3.469   2.393
  100    HA   TYR  14           HA       TYR  14  -8.949  -1.963   0.817
  101    HB2  TYR  14           HB2      TYR  14 -10.412  -2.172   2.808
  102    HB3  TYR  14           HB3      TYR  14  -9.834  -3.726   2.225
  103    HD1  TYR  14           HD1      TYR  14  -9.814  -1.354   4.971
  104    HD2  TYR  14           HD2      TYR  14  -8.149  -4.984   3.518
  105    HE1  TYR  14           HE1      TYR  14  -9.009  -1.874   7.233
  106    HE2  TYR  14           HE2      TYR  14  -7.338  -5.519   5.774
  107    HH   TYR  14           HH       TYR  14  -8.378  -3.858   8.544
  108    H    CYS  15           H        CYS  15  -9.940   0.046   1.786
  109    HA   CYS  15           HA       CYS  15  -7.619   1.669   2.564
  110    HB2  CYS  15           HB2      CYS  15  -8.489   1.875   0.202
  111    HB3  CYS  15           HB3      CYS  15  -9.934   2.603   0.893
  112    H    ILE  16           H        ILE  16  -7.865   2.045   4.627
  113    HA   ILE  16           HA       ILE  16 -10.473   2.769   5.723
  114    HB   ILE  16           HB       ILE  16  -9.448   2.472   7.937
  115   HG12  ILE  16          HG12      ILE  16  -6.998   1.613   6.385
  116   HG13  ILE  16          HG13      ILE  16  -7.134   3.062   7.373
  117   HG21  ILE  16          HG21      ILE  16 -10.578   0.625   6.894
  118   HG22  ILE  16          HG22      ILE  16  -9.188   0.039   7.806
  119   HG23  ILE  16          HG23      ILE  16  -9.102   0.164   6.046
  120   HD11  ILE  16          HD11      ILE  16  -7.431   1.684   9.360
  121   HD12  ILE  16          HD12      ILE  16  -5.920   1.308   8.534
  122   HD13  ILE  16          HD13      ILE  16  -7.305   0.229   8.374
  123    H    ARG  17           H        ARG  17  -9.877   4.351   7.804
  124    HA   ARG  17           HA       ARG  17  -9.480   6.840   6.520
  125    HB2  ARG  17           HB2      ARG  17  -9.665   7.792   8.793
  126    HB3  ARG  17           HB3      ARG  17 -10.946   6.637   8.454
  127    HG2  ARG  17           HG2      ARG  17  -9.754   4.938   9.735
  128    HG3  ARG  17           HG3      ARG  17  -8.451   6.084  10.050
  129    HD2  ARG  17           HD2      ARG  17  -9.965   7.504  11.299
  130    HD3  ARG  17           HD3      ARG  17 -11.320   6.442  10.918
  131    HE   ARG  17           HE       ARG  17  -9.863   4.701  12.155
  132   HH11  ARG  17          HH11      ARG  17 -10.150   8.091  12.985
  133   HH12  ARG  17          HH12      ARG  17  -9.804   7.841  14.664
  134   HH21  ARG  17          HH21      ARG  17  -9.403   4.368  14.370
  135   HH22  ARG  17          HH22      ARG  17  -9.379   5.723  15.453
  136    H    SER  18           H        SER  18  -7.385   4.955   8.733
  137    HA   SER  18           HA       SER  18  -5.208   6.812   8.147
  138    HB2  SER  18           HB2      SER  18  -6.194   6.212  10.936
  139    HB3  SER  18           HB3      SER  18  -4.751   7.143  10.543
  140    HG   SER  18           HG       SER  18  -6.651   8.260   9.165
  141    H    LYS  19           H        LYS  19  -3.378   6.036   9.942
  142    HA   LYS  19           HA       LYS  19  -2.498   3.590   8.683
  143    HB2  LYS  19           HB2      LYS  19  -0.949   4.959  10.843
  144    HB3  LYS  19           HB3      LYS  19  -0.367   4.180   9.380
  145    HG2  LYS  19           HG2      LYS  19  -1.827   6.808   9.470
  146    HG3  LYS  19           HG3      LYS  19  -0.087   6.612   9.353
  147    HD2  LYS  19           HD2      LYS  19  -0.206   5.738   7.193
  148    HD3  LYS  19           HD3      LYS  19  -1.919   5.344   7.354
  149    HE2  LYS  19           HE2      LYS  19  -1.552   7.290   5.899
  150    HE3  LYS  19           HE3      LYS  19  -2.496   7.697   7.332
  151    HZ1  LYS  19           HZ1      LYS  19   0.384   8.190   7.037
  152    HZ2  LYS  19           HZ2      LYS  19  -0.537   8.634   8.299
  153    HZ3  LYS  19           HZ3      LYS  19  -0.772   9.318   6.846
  154    H    VAL  20           H        VAL  20  -4.652   3.693  10.742
  155    HA   VAL  20           HA       VAL  20  -3.636   2.292  13.055
  156    HB   VAL  20           HB       VAL  20  -6.547   2.516  12.303
  157   HG11  VAL  20          HG11      VAL  20  -6.878   2.532  14.727
  158   HG12  VAL  20          HG12      VAL  20  -5.134   2.424  14.966
  159   HG13  VAL  20          HG13      VAL  20  -6.002   1.092  14.204
  160   HG21  VAL  20          HG21      VAL  20  -4.879   4.619  13.678
  161   HG22  VAL  20          HG22      VAL  20  -6.633   4.658  13.484
  162   HG23  VAL  20          HG23      VAL  20  -5.586   4.740  12.068
  163    H    CYS  21           H        CYS  21  -3.107   1.051  10.529
  164    HA   CYS  21           HA       CYS  21  -4.889  -1.025   9.893
  165    HB2  CYS  21           HB2      CYS  21  -1.895  -1.015   9.513
  166    HB3  CYS  21           HB3      CYS  21  -3.090  -1.885   8.554
  167    HA   PRO  22           HA       PRO  22  -4.031  -3.937  13.208
  168    HB2  PRO  22           HB2      PRO  22  -5.166  -6.106  12.030
  169    HB3  PRO  22           HB3      PRO  22  -6.115  -4.823  12.789
  170    HG2  PRO  22           HG2      PRO  22  -5.494  -5.262   9.895
  171    HG3  PRO  22           HG3      PRO  22  -7.025  -4.787  10.652
  172    HD2  PRO  22           HD2      PRO  22  -5.380  -3.005   9.450
  173    HD3  PRO  22           HD3      PRO  22  -6.391  -2.578  10.845
  174    H    LYS  23           H        LYS  23  -3.255  -6.457  13.053
  175    HA   LYS  23           HA       LYS  23  -1.036  -6.457  11.134
  176    HB2  LYS  23           HB2      LYS  23   0.151  -6.185  13.060
  177    HB3  LYS  23           HB3      LYS  23  -1.111  -6.872  14.064
  178    HG2  LYS  23           HG2      LYS  23   0.517  -8.650  12.303
  179    HG3  LYS  23           HG3      LYS  23   1.174  -8.071  13.838
  180    HD2  LYS  23           HD2      LYS  23  -0.806  -8.963  14.994
  181    HD3  LYS  23           HD3      LYS  23  -1.412  -9.577  13.456
  182    HE2  LYS  23           HE2      LYS  23  -0.351 -11.379  14.648
  183    HE3  LYS  23           HE3      LYS  23   0.647 -10.954  13.258
  184    HZ1  LYS  23           HZ1      LYS  23   1.143 -10.033  15.999
  185    HZ2  LYS  23           HZ2      LYS  23   2.098  -9.766  14.712
  186    HZ3  LYS  23           HZ3      LYS  23   1.923 -11.275  15.291
  187    HA   PRO  24           HA       PRO  24   0.353  -7.606  10.346
  188    HB2  PRO  24           HB2      PRO  24   0.994  -9.067   8.214
  189    HB3  PRO  24           HB3      PRO  24   1.284  -9.674   9.848
  190    HG2  PRO  24           HG2      PRO  24  -0.888 -10.367   7.924
  191    HG3  PRO  24           HG3      PRO  24  -0.007 -11.418   9.044
  192    HD2  PRO  24           HD2      PRO  24  -2.534 -10.318   9.488
  193    HD3  PRO  24           HD3      PRO  24  -1.468 -10.990  10.736
  194    H    PHE  25           H        PHE  25  -0.579  -5.680   9.633
  195    HA   PHE  25           HA       PHE  25  -1.198  -5.604   6.782
  196    HB2  PHE  25           HB2      PHE  25  -2.986  -4.473   8.947
  197    HB3  PHE  25           HB3      PHE  25  -3.060  -3.934   7.276
  198    HD1  PHE  25           HD1      PHE  25  -4.382  -5.056   5.749
  199    HD2  PHE  25           HD2      PHE  25  -3.348  -6.966   9.408
  200    HE1  PHE  25           HE1      PHE  25  -5.914  -6.903   5.218
  201    HE2  PHE  25           HE2      PHE  25  -4.890  -8.806   8.883
  202    HZ   PHE  25           HZ       PHE  25  -6.167  -8.772   6.786
  203    H    ALA  26           H        ALA  26  -0.512  -3.741   5.791
  204    HA   ALA  26           HA       ALA  26   0.917  -1.867   7.570
  205    HB1  ALA  26           HB1      ALA  26   2.676  -1.654   5.981
  206    HB2  ALA  26           HB2      ALA  26   1.787  -2.592   4.784
  207    HB3  ALA  26           HB3      ALA  26   2.404  -3.379   6.236
  208    H    ALA  27           H        ALA  27   0.489   0.215   7.370
  209    HA   ALA  27           HA       ALA  27  -1.399   1.339   5.657
  210    HB1  ALA  27           HB1      ALA  27  -0.401   3.498   6.356
  211    HB2  ALA  27           HB2      ALA  27   0.929   2.610   7.099
  212    HB3  ALA  27           HB3      ALA  27  -0.712   2.417   7.714
  213    H    PHE  28           H        PHE  28  -1.093   0.869   3.503
  214    HA   PHE  28           HA       PHE  28   1.519   1.443   2.325
  215    HB2  PHE  28           HB2      PHE  28  -0.544  -0.501   1.829
  216    HB3  PHE  28           HB3      PHE  28  -0.250   0.422   0.365
  217    HD1  PHE  28           HD1      PHE  28   0.444  -2.540   1.569
  218    HD2  PHE  28           HD2      PHE  28   2.588   0.948   0.430
  219    HE1  PHE  28           HE1      PHE  28   2.435  -3.914   1.138
  220    HE2  PHE  28           HE2      PHE  28   4.585  -0.415   0.008
  221    HZ   PHE  28           HZ       PHE  28   4.511  -2.850   0.352
  222    H    GLY  29           H        GLY  29   1.413   3.665   2.375
  223    HA2  GLY  29           HA2      GLY  29   0.998   5.757   1.538
  224    HA3  GLY  29           HA3      GLY  29   0.669   4.917   0.030
  225    H    THR  30           H        THR  30  -1.051   5.946  -0.720
  226    HA   THR  30           HA       THR  30  -3.501   5.806   0.900
  227    HB   THR  30           HB       THR  30  -4.274   7.887  -0.179
  228    HG1  THR  30           HG1      THR  30  -1.859   8.705  -1.153
  229   HG21  THR  30          HG21      THR  30  -3.190   8.239   1.917
  230   HG22  THR  30          HG22      THR  30  -2.551   9.469   0.821
  231   HG23  THR  30          HG23      THR  30  -1.594   8.037   1.198
  232    H    CYS  31           H        CYS  31  -5.490   5.566  -0.478
  233    HA   CYS  31           HA       CYS  31  -4.849   3.904  -2.788
  234    HB2  CYS  31           HB2      CYS  31  -7.257   3.301  -2.752
  235    HB3  CYS  31           HB3      CYS  31  -6.437   2.964  -1.232
  236    H    SER  32           H        SER  32  -7.467   6.228  -2.236
  237    HA   SER  32           HA       SER  32  -7.011   7.284  -4.940
  238    HB2  SER  32           HB2      SER  32  -9.236   6.129  -4.401
  239    HB3  SER  32           HB3      SER  32  -9.569   7.491  -3.339
  240    HG   SER  32           HG       SER  32  -8.778   8.432  -5.709
  241    H    TRP  33           H        TRP  33  -8.540   8.341  -1.918
  242    HA   TRP  33           HA       TRP  33  -7.402  10.997  -2.225
  243    HB2  TRP  33           HB2      TRP  33  -9.052  10.107   0.128
  244    HB3  TRP  33           HB3      TRP  33  -8.914  11.711  -0.575
  245    HD1  TRP  33           HD1      TRP  33 -11.561   9.650  -0.029
  246    HE1  TRP  33           HE1      TRP  33 -13.286   9.524  -1.931
  247    HE3  TRP  33           HE3      TRP  33  -8.685  11.447  -3.861
  248    HZ2  TRP  33           HZ2      TRP  33 -13.409  10.095  -4.682
  249    HZ3  TRP  33           HZ3      TRP  33  -9.695  11.621  -6.100
  250    HH2  TRP  33           HH2      TRP  33 -11.998  10.962  -6.499
  251    H    ARG  34           H        ARG  34  -6.315  11.982  -0.341
  252    HA   ARG  34           HA       ARG  34  -4.268  10.198   0.613
  253    HB2  ARG  34           HB2      ARG  34  -3.733  12.467  -0.182
  254    HB3  ARG  34           HB3      ARG  34  -4.702  13.148   1.115
  255    HG2  ARG  34           HG2      ARG  34  -2.426  11.334   1.744
  256    HG3  ARG  34           HG3      ARG  34  -2.131  13.019   1.352
  257    HD2  ARG  34           HD2      ARG  34  -3.980  12.045   3.520
  258    HD3  ARG  34           HD3      ARG  34  -2.320  12.574   3.789
  259    HE   ARG  34           HE       ARG  34  -3.575  14.669   2.514
  260   HH11  ARG  34          HH11      ARG  34  -4.059  12.847   5.464
  261   HH12  ARG  34          HH12      ARG  34  -4.726  14.186   6.342
  262   HH21  ARG  34          HH21      ARG  34  -4.466  16.448   3.671
  263   HH22  ARG  34          HH22      ARG  34  -4.955  16.237   5.321
  264    H    GLN  35           H        GLN  35  -7.033  11.833   1.855
  265    HA   GLN  35           HA       GLN  35  -6.626  11.714   4.596
  266    HB2  GLN  35           HB2      GLN  35  -9.100  11.767   4.754
  267    HB3  GLN  35           HB3      GLN  35  -8.437  12.982   3.669
  268    HG2  GLN  35           HG2      GLN  35  -8.942  11.506   1.770
  269    HG3  GLN  35           HG3      GLN  35  -9.688  10.364   2.885
  270   HE21  GLN  35          HE21      GLN  35 -10.799  12.534   4.532
  271   HE22  GLN  35          HE22      GLN  35 -12.141  13.153   3.638
  272    H    LYS  36           H        LYS  36  -6.974   9.096   2.502
  273    HA   LYS  36           HA       LYS  36  -7.548   7.330   4.777
  274    HB2  LYS  36           HB2      LYS  36  -8.607   5.773   3.064
  275    HB3  LYS  36           HB3      LYS  36  -9.526   7.192   3.525
  276    HG2  LYS  36           HG2      LYS  36  -8.372   8.246   1.424
  277    HG3  LYS  36           HG3      LYS  36  -8.160   6.556   0.964
  278    HD2  LYS  36           HD2      LYS  36 -10.763   7.948   1.575
  279    HD3  LYS  36           HD3      LYS  36 -10.199   7.431  -0.013
  280    HE2  LYS  36           HE2      LYS  36 -11.554   5.666   0.473
  281    HE3  LYS  36           HE3      LYS  36 -10.070   5.088   1.226
  282    HZ1  LYS  36           HZ1      LYS  36 -10.877   5.854   3.319
  283    HZ2  LYS  36           HZ2      LYS  36 -11.990   4.869   2.664
  284    HZ3  LYS  36           HZ3      LYS  36 -12.222   6.476   2.651
  285    H    THR  37           H        THR  37  -6.696   5.172   4.569
  286    HA   THR  37           HA       THR  37  -4.090   5.212   3.183
  287    HB   THR  37           HB       THR  37  -4.774   3.870   5.806
  288    HG1  THR  37           HG1      THR  37  -4.553   6.399   5.420
  289   HG21  THR  37          HG21      THR  37  -2.092   4.445   4.541
  290   HG22  THR  37          HG22      THR  37  -2.892   2.873   4.537
  291   HG23  THR  37          HG23      THR  37  -2.381   3.598   6.061
  292    H    CYS  38           H        CYS  38  -3.393   3.307   2.177
  293    HA   CYS  38           HA       CYS  38  -5.505   1.332   1.702
  294    HB2  CYS  38           HB2      CYS  38  -4.143   2.551  -0.134
  295    HB3  CYS  38           HB3      CYS  38  -2.828   1.479   0.317
  296    H    CYS  39           H        CYS  39  -5.475  -0.387   3.073
  297    HA   CYS  39           HA       CYS  39  -2.870  -1.174   4.205
  298    HB2  CYS  39           HB2      CYS  39  -5.627  -1.372   5.419
  299    HB3  CYS  39           HB3      CYS  39  -4.149  -1.962   6.168
  300    H    VAL  40           H        VAL  40  -2.156  -2.994   3.344
  301    HA   VAL  40           HA       VAL  40  -4.104  -5.111   2.701
  302    HB   VAL  40           HB       VAL  40  -2.628  -4.195   0.847
  303   HG11  VAL  40          HG11      VAL  40  -0.574  -4.027   2.178
  304   HG12  VAL  40          HG12      VAL  40  -0.352  -4.946   0.692
  305   HG13  VAL  40          HG13      VAL  40  -0.485  -5.788   2.236
  306   HG21  VAL  40          HG21      VAL  40  -3.803  -6.251   0.539
  307   HG22  VAL  40          HG22      VAL  40  -2.608  -7.137   1.487
  308   HG23  VAL  40          HG23      VAL  40  -2.165  -6.459  -0.083
  309    H    ASP  41           H        ASP  41  -3.632  -7.261   3.301
  310    HA   ASP  41           HA       ASP  41  -2.248  -7.623   5.750
  311    HB2  ASP  41           HB2      ASP  41  -4.116  -9.061   5.068
  312    HB3  ASP  41           HB3      ASP  41  -3.158  -9.691   3.740
  313    H    THR  42           H        THR  42  -0.195  -7.144   5.732
  314    HA   THR  42           HA       THR  42   1.472  -7.827   3.462
  315    HB   THR  42           HB       THR  42   3.186  -6.477   4.805
  316    HG1  THR  42           HG1      THR  42   1.855  -6.761   6.796
  317   HG21  THR  42          HG21      THR  42   0.627  -5.049   4.064
  318   HG22  THR  42          HG22      THR  42   1.846  -5.574   2.905
  319   HG23  THR  42          HG23      THR  42   2.248  -4.359   4.116
  320    H    THR  43           H        THR  43   1.585 -10.135   3.793
  321    HA   THR  43           HA       THR  43   3.216 -10.901   6.080
  322    HB   THR  43           HB       THR  43   1.289 -12.437   4.349
  323    HG1  THR  43           HG1      THR  43   0.172 -11.508   5.979
  324   HG21  THR  43          HG21      THR  43   3.116 -13.509   6.475
  325   HG22  THR  43          HG22      THR  43   3.267 -13.777   4.741
  326   HG23  THR  43          HG23      THR  43   1.873 -14.416   5.612
  327    H    SER  44           H        SER  44   2.728 -12.299   2.823
  328    HA   SER  44           HA       SER  44   5.623 -12.671   2.597
  329    HB2  SER  44           HB2      SER  44   3.426 -13.831   0.911
  330    HB3  SER  44           HB3      SER  44   5.118 -14.319   0.906
  331    HG   SER  44           HG       SER  44   4.651 -14.685   3.297
  332    H    ASP  45           H        ASP  45   2.918 -11.592   0.534
  333    HA   ASP  45           HA       ASP  45   4.728 -10.759  -1.541
  334    HB2  ASP  45           HB2      ASP  45   2.809 -10.372  -2.895
  335    HB3  ASP  45           HB3      ASP  45   2.522 -11.859  -2.006
  336    H    PHE  46           H        PHE  46   3.739  -9.375   1.203
  337    HA   PHE  46           HA       PHE  46   2.889  -6.850   0.898
  338    HB2  PHE  46           HB2      PHE  46   3.908  -6.322   2.977
  339    HB3  PHE  46           HB3      PHE  46   3.376  -7.994   2.986
  340    HD1  PHE  46           HD1      PHE  46   5.068  -9.730   2.299
  341    HD2  PHE  46           HD2      PHE  46   6.075  -5.885   3.690
  342    HE1  PHE  46           HE1      PHE  46   7.281 -10.577   2.928
  343    HE2  PHE  46           HE2      PHE  46   8.319  -6.677   4.331
  344    HZ   PHE  46           HZ       PHE  46   8.932  -9.036   3.949
  345    H    HIS  47           H        HIS  47   5.906  -7.932  -0.212
  346    HA   HIS  47           HA       HIS  47   7.467  -5.624  -0.275
  347    HB2  HIS  47           HB2      HIS  47   7.295  -7.873  -2.273
  348    HB3  HIS  47           HB3      HIS  47   8.541  -6.632  -2.305
  349    HD1  HIS  47           HD1      HIS  47  10.366  -6.737  -0.473
  350    HD2  HIS  47           HD2      HIS  47   7.591  -9.826  -0.299
  351    HE1  HIS  47           HE1      HIS  47  11.316  -8.409   1.141
  352    HE2  HIS  47           HE2      HIS  47   9.693 -10.335   1.120
  353    H    THR  48           H        THR  48   4.485  -5.912  -1.558
  354    HA   THR  48           HA       THR  48   4.294  -4.910  -4.063
  355    HB   THR  48           HB       THR  48   2.574  -4.157  -1.723
  356    HG1  THR  48           HG1      THR  48   1.799  -6.140  -1.790
  357   HG21  THR  48          HG21      THR  48   1.995  -2.877  -3.671
  358   HG22  THR  48          HG22      THR  48   0.763  -4.122  -3.414
  359   HG23  THR  48          HG23      THR  48   1.986  -4.335  -4.669
  360    H    CYS  49           H        CYS  49   5.810  -3.169  -1.594
  361    HA   CYS  49           HA       CYS  49   4.950  -0.573  -1.815
  362    HB2  CYS  49           HB2      CYS  49   7.106   0.124  -1.046
  363    HB3  CYS  49           HB3      CYS  49   6.772  -1.431  -0.299
  364    H    GLN  50           H        GLN  50   7.081  -2.313  -3.991
  365    HA   GLN  50           HA       GLN  50   7.939  -0.222  -5.599
  366    HB2  GLN  50           HB2      GLN  50   8.365  -1.996  -7.269
  367    HB3  GLN  50           HB3      GLN  50   8.947  -2.406  -5.663
  368    HG2  GLN  50           HG2      GLN  50   6.545  -3.523  -5.505
  369    HG3  GLN  50           HG3      GLN  50   6.760  -3.595  -7.249
  370   HE21  GLN  50          HE21      GLN  50   7.795  -4.766  -4.177
  371   HE22  GLN  50          HE22      GLN  50   8.827  -6.022  -4.795
  372    H    ASP  51           H        ASP  51   4.914  -2.034  -5.687
  373    HA   ASP  51           HA       ASP  51   4.067  -0.865  -8.190
  374    HB2  ASP  51           HB2      ASP  51   3.335  -3.134  -7.417
  375    HB3  ASP  51           HB3      ASP  51   2.393  -2.348  -6.154
  376    H    LYS  52           H        LYS  52   3.703  -0.244  -4.796
  377    HA   LYS  52           HA       LYS  52   1.592   1.640  -4.954
  378    HB2  LYS  52           HB2      LYS  52   3.526   0.708  -2.938
  379    HB3  LYS  52           HB3      LYS  52   2.892   2.326  -2.695
  380    HG2  LYS  52           HG2      LYS  52   1.262  -0.173  -3.024
  381    HG3  LYS  52           HG3      LYS  52   1.612   0.641  -1.507
  382    HD2  LYS  52           HD2      LYS  52   0.031   1.758  -3.825
  383    HD3  LYS  52           HD3      LYS  52  -0.607   1.272  -2.258
  384    HE2  LYS  52           HE2      LYS  52   0.445   3.081  -1.157
  385    HE3  LYS  52           HE3      LYS  52   1.469   3.432  -2.543
  386    HZ1  LYS  52           HZ1      LYS  52  -0.266   5.001  -2.465
  387    HZ2  LYS  52           HZ2      LYS  52  -1.421   3.867  -2.363
  388    HZ3  LYS  52           HZ3      LYS  52  -0.568   4.034  -3.737
  389    H    GLY  53           H        GLY  53   4.759   1.776  -5.960
  390    HA2  GLY  53           HA2      GLY  53   5.576   3.742  -7.078
  391    HA3  GLY  53           HA3      GLY  53   4.763   4.718  -5.858
  392    H    GLY  54           H        GLY  54   6.739   1.839  -5.425
  393    HA2  GLY  54           HA2      GLY  54   8.336   3.216  -3.445
  394    HA3  GLY  54           HA3      GLY  54   8.428   1.514  -3.860
  395    H    HIS  55           H        HIS  55   9.902   4.435  -4.072
  396    HA   HIS  55           HA       HIS  55  11.255   3.922  -6.611
  397    HB2  HIS  55           HB2      HIS  55  11.357   6.292  -4.737
  398    HB3  HIS  55           HB3      HIS  55  12.274   6.172  -6.231
  399    HD1  HIS  55           HD1      HIS  55  11.185   7.185  -8.213
  400    HD2  HIS  55           HD2      HIS  55   8.419   6.158  -5.280
  401    HE1  HIS  55           HE1      HIS  55   8.974   8.073  -9.022
  402    HE2  HIS  55           HE2      HIS  55   7.320   7.461  -7.222
  403    H    CYS  56           H        CYS  56  13.544   3.861  -6.744
  404    HA   CYS  56           HA       CYS  56  14.720   2.705  -4.329
  405    HB2  CYS  56           HB2      CYS  56  15.421   2.405  -7.248
  406    HB3  CYS  56           HB3      CYS  56  16.407   1.755  -5.940
  407    H    VAL  57           H        VAL  57  16.067   3.904  -3.219
  408    HA   VAL  57           HA       VAL  57  17.586   5.976  -4.655
  409    HB   VAL  57           HB       VAL  57  17.383   7.455  -2.740
  410   HG11  VAL  57          HG11      VAL  57  15.701   7.594  -4.490
  411   HG12  VAL  57          HG12      VAL  57  15.018   8.007  -2.915
  412   HG13  VAL  57          HG13      VAL  57  14.700   6.424  -3.629
  413   HG21  VAL  57          HG21      VAL  57  15.671   5.296  -1.516
  414   HG22  VAL  57          HG22      VAL  57  15.857   6.927  -0.874
  415   HG23  VAL  57          HG23      VAL  57  17.248   5.844  -0.941
  416    H    SER  58           H        SER  58  19.661   6.232  -4.136
  417    HA   SER  58           HA       SER  58  20.994   4.092  -2.813
  418    HB2  SER  58           HB2      SER  58  23.018   5.241  -3.487
  419    HB3  SER  58           HB3      SER  58  21.864   5.368  -4.803
  420    HG   SER  58           HG       SER  58  21.719   7.457  -4.514
  421    HA   PRO  59           HA       PRO  59  21.360   5.639   1.319
  422    HB2  PRO  59           HB2      PRO  59  24.078   5.431   1.795
  423    HB3  PRO  59           HB3      PRO  59  22.913   4.116   1.952
  424    HG2  PRO  59           HG2      PRO  59  24.797   4.723  -0.271
  425    HG3  PRO  59           HG3      PRO  59  24.271   3.156   0.363
  426    HD2  PRO  59           HD2      PRO  59  23.325   4.191  -1.945
  427    HD3  PRO  59           HD3      PRO  59  22.346   3.152  -0.896
  428    H    LYS  60           H        LYS  60  23.061   7.130  -1.242
  429    HA   LYS  60           HA       LYS  60  23.935   9.406   0.331
  430    HB2  LYS  60           HB2      LYS  60  24.087   8.800  -2.623
  431    HB3  LYS  60           HB3      LYS  60  24.639  10.311  -1.921
  432    HG2  LYS  60           HG2      LYS  60  26.556   8.986  -2.195
  433    HG3  LYS  60           HG3      LYS  60  26.178   8.930  -0.474
  434    HD2  LYS  60           HD2      LYS  60  25.105   6.750  -0.787
  435    HD3  LYS  60           HD3      LYS  60  25.496   6.808  -2.507
  436    HE2  LYS  60           HE2      LYS  60  27.105   5.432  -1.320
  437    HE3  LYS  60           HE3      LYS  60  27.883   6.882  -1.949
  438    HZ1  LYS  60           HZ1      LYS  60  28.538   6.415   0.308
  439    HZ2  LYS  60           HZ2      LYS  60  27.001   6.512   0.825
  440    HZ3  LYS  60           HZ3      LYS  60  27.745   7.832   0.236
  441    H    ILE  61           H        ILE  61  21.122   8.399  -1.243
  442    HA   ILE  61           HA       ILE  61  20.138  11.047  -1.882
  443    HB   ILE  61           HB       ILE  61  18.643   8.425  -1.691
  444   HG12  ILE  61          HG12      ILE  61  20.564   8.649  -3.387
  445   HG13  ILE  61          HG13      ILE  61  19.011   8.064  -3.966
  446   HG21  ILE  61          HG21      ILE  61  16.944   9.546  -3.069
  447   HG22  ILE  61          HG22      ILE  61  17.870  11.043  -2.972
  448   HG23  ILE  61          HG23      ILE  61  17.171  10.343  -1.512
  449   HD11  ILE  61          HD11      ILE  61  20.012   9.630  -5.517
  450   HD12  ILE  61          HD12      ILE  61  20.069  10.864  -4.256
  451   HD13  ILE  61          HD13      ILE  61  18.516  10.277  -4.848
  452    H    ARG  62           H        ARG  62  18.861  12.279  -0.586
  453    HA   ARG  62           HA       ARG  62  18.248  11.170   2.053
  454    HB2  ARG  62           HB2      ARG  62  18.483  13.999   1.063
  455    HB3  ARG  62           HB3      ARG  62  17.615  13.640   2.547
  456    HG2  ARG  62           HG2      ARG  62  19.794  14.245   3.194
  457    HG3  ARG  62           HG3      ARG  62  19.715  12.489   3.353
  458    HD2  ARG  62           HD2      ARG  62  20.857  12.232   1.218
  459    HD3  ARG  62           HD3      ARG  62  20.896  13.983   1.018
  460    HE   ARG  62           HE       ARG  62  22.139  13.106   3.450
  461   HH11  ARG  62          HH11      ARG  62  22.620  13.570   0.018
  462   HH12  ARG  62          HH12      ARG  62  24.335  13.789   0.158
  463   HH21  ARG  62          HH21      ARG  62  24.407  13.385   3.639
  464   HH22  ARG  62          HH22      ARG  62  25.354  13.665   2.213
  465    H    CYS  63           H        CYS  63  16.540   9.941   1.550
  466    HA   CYS  63           HA       CYS  63  14.055  11.354   0.881
  467    HB2  CYS  63           HB2      CYS  63  14.880  10.120  -1.110
  468    HB3  CYS  63           HB3      CYS  63  14.890   8.640  -0.164
  469    H    LEU  64           H        LEU  64  12.146  10.368   1.800
  470    HA   LEU  64           HA       LEU  64  12.664   8.975   4.263
  471    HB2  LEU  64           HB2      LEU  64  10.710  10.639   3.516
  472    HB3  LEU  64           HB3      LEU  64   9.936   9.106   3.174
  473    HG   LEU  64           HG       LEU  64  11.121   9.809   5.852
  474   HD11  LEU  64          HD11      LEU  64   9.294  11.308   5.328
  475   HD12  LEU  64          HD12      LEU  64   8.835  10.168   6.591
  476   HD13  LEU  64          HD13      LEU  64   8.261   9.934   4.941
  477   HD21  LEU  64          HD21      LEU  64  10.964   7.417   5.397
  478   HD22  LEU  64          HD22      LEU  64   9.257   7.603   4.997
  479   HD23  LEU  64          HD23      LEU  64   9.816   7.909   6.642
  480    H    GLU  65           H        GLU  65  13.642   7.186   3.555
  481    HA   GLU  65           HA       GLU  65  12.363   5.410   1.679
  482    HB2  GLU  65           HB2      GLU  65  14.541   4.011   2.424
  483    HB3  GLU  65           HB3      GLU  65  14.537   5.211   1.145
  484    HG2  GLU  65           HG2      GLU  65  16.452   5.505   2.574
  485    HG3  GLU  65           HG3      GLU  65  15.374   6.888   2.714
  486    H    GLU  66           H        GLU  66  12.524   3.028   2.185
  487    HA   GLU  66           HA       GLU  66  12.035   1.192   3.410
  488    HB2  GLU  66           HB2      GLU  66  11.959   3.065   5.762
  489    HB3  GLU  66           HB3      GLU  66  11.637   1.337   5.875
  490    HG2  GLU  66           HG2      GLU  66  13.849   0.858   5.006
  491    HG3  GLU  66           HG3      GLU  66  14.158   2.589   4.853
  492    H    GLN  67           H        GLN  67  10.336   2.053   1.833
  493    HA   GLN  67           HA       GLN  67   7.731   2.483   2.910
  494    HB2  GLN  67           HB2      GLN  67   8.364   2.992   0.555
  495    HB3  GLN  67           HB3      GLN  67   8.495   1.265   0.252
  496    HG2  GLN  67           HG2      GLN  67   6.146   0.963   0.670
  497    HG3  GLN  67           HG3      GLN  67   5.977   2.651   1.149
  498   HE21  GLN  67          HE21      GLN  67   4.625   1.181  -1.001
  499   HE22  GLN  67          HE22      GLN  67   5.006   2.043  -2.454
  500    H    LEU  68           H        LEU  68   9.035  -0.380   1.236
  501    HA   LEU  68           HA       LEU  68   8.691  -2.145   3.368
  502    HB2  LEU  68           HB2      LEU  68   6.253  -1.563   2.670
  503    HB3  LEU  68           HB3      LEU  68   6.575  -2.638   1.312
  504    HG   LEU  68           HG       LEU  68   6.924  -4.502   2.756
  505   HD11  LEU  68          HD11      LEU  68   6.739  -2.515   5.022
  506   HD12  LEU  68          HD12      LEU  68   8.130  -3.508   4.580
  507   HD13  LEU  68          HD13      LEU  68   6.679  -4.264   5.232
  508   HD21  LEU  68          HD21      LEU  68   4.746  -4.533   4.002
  509   HD22  LEU  68          HD22      LEU  68   4.638  -4.116   2.293
  510   HD23  LEU  68          HD23      LEU  68   4.533  -2.851   3.519
  511    H    GLY  69           H        GLY  69  10.767  -2.603   2.441
  512    HA2  GLY  69           HA2      GLY  69  11.302  -4.894   1.395
  513    HA3  GLY  69           HA3      GLY  69  10.635  -4.160  -0.051
  514    H    LEU  70           H        LEU  70  13.180  -5.237   0.119
  515    HA   LEU  70           HA       LEU  70  15.006  -2.955   0.177
  516    HB2  LEU  70           HB2      LEU  70  15.316  -5.499   1.049
  517    HB3  LEU  70           HB3      LEU  70  15.942  -5.668  -0.576
  518    HG   LEU  70           HG       LEU  70  16.985  -3.582   1.337
  519   HD11  LEU  70          HD11      LEU  70  18.815  -5.125   1.830
  520   HD12  LEU  70          HD12      LEU  70  18.014  -6.382   0.885
  521   HD13  LEU  70          HD13      LEU  70  17.265  -5.776   2.363
  522   HD21  LEU  70          HD21      LEU  70  18.170  -4.862  -1.124
  523   HD22  LEU  70          HD22      LEU  70  18.940  -3.634  -0.119
  524   HD23  LEU  70          HD23      LEU  70  17.487  -3.240  -1.035
  525    H    CYS  71           H        CYS  71  16.060  -2.233  -1.657
  526    HA   CYS  71           HA       CYS  71  14.685  -2.767  -4.145
  527    HB2  CYS  71           HB2      CYS  71  16.536  -0.669  -3.131
  528    HB3  CYS  71           HB3      CYS  71  16.463  -0.930  -4.871
  529    HA   PRO  72           HA       PRO  72  17.404  -5.297  -6.578
  530    HB2  PRO  72           HB2      PRO  72  18.123  -2.724  -7.944
  531    HB3  PRO  72           HB3      PRO  72  17.805  -4.318  -8.651
  532    HG2  PRO  72           HG2      PRO  72  15.923  -2.421  -8.633
  533    HG3  PRO  72           HG3      PRO  72  15.515  -4.130  -8.386
  534    HD2  PRO  72           HD2      PRO  72  15.493  -1.900  -6.459
  535    HD3  PRO  72           HD3      PRO  72  14.644  -3.455  -6.395
  536    H    LEU  73           H        LEU  73  19.022  -2.093  -6.195
  537    HA   LEU  73           HA       LEU  73  21.541  -3.317  -5.643
  538    HB2  LEU  73           HB2      LEU  73  20.544  -0.521  -5.171
  539    HB3  LEU  73           HB3      LEU  73  22.135  -1.040  -4.673
  540    HG   LEU  73           HG       LEU  73  22.640  -0.047  -6.616
  541   HD11  LEU  73          HD11      LEU  73  23.395  -2.342  -6.796
  542   HD12  LEU  73          HD12      LEU  73  23.037  -1.641  -8.374
  543   HD13  LEU  73          HD13      LEU  73  21.901  -2.768  -7.632
  544   HD21  LEU  73          HD21      LEU  73  19.991  -0.926  -7.707
  545   HD22  LEU  73          HD22      LEU  73  21.216  -0.078  -8.650
  546   HD23  LEU  73          HD23      LEU  73  20.487   0.705  -7.247
  547    H    LYS  74           H        LYS  74  22.447  -3.851  -3.777
  548    HA   LYS  74           HA       LYS  74  20.638  -4.560  -1.682
  549    HB2  LYS  74           HB2      LYS  74  22.580  -5.951  -2.418
  550    HB3  LYS  74           HB3      LYS  74  23.653  -4.757  -1.707
  551    HG2  LYS  74           HG2      LYS  74  23.387  -6.651  -0.228
  552    HG3  LYS  74           HG3      LYS  74  22.694  -5.201   0.498
  553    HD2  LYS  74           HD2      LYS  74  21.252  -7.150   0.841
  554    HD3  LYS  74           HD3      LYS  74  20.458  -5.929  -0.153
  555    HE2  LYS  74           HE2      LYS  74  20.085  -8.191  -1.016
  556    HE3  LYS  74           HE3      LYS  74  20.979  -7.196  -2.162
  557    HZ1  LYS  74           HZ1      LYS  74  22.162  -9.194  -0.368
  558    HZ2  LYS  74           HZ2      LYS  74  22.986  -8.284  -1.430
  559    HZ3  LYS  74           HZ3      LYS  74  21.922  -9.386  -1.967
  560    H    ARG  75           H        ARG  75  22.667  -1.896  -2.281
  561    HA   ARG  75           HA       ARG  75  22.817  -1.083   0.508
  562    HB2  ARG  75           HB2      ARG  75  23.880   0.172  -2.020
  563    HB3  ARG  75           HB3      ARG  75  24.147   0.804  -0.400
  564    HG2  ARG  75           HG2      ARG  75  25.429  -1.085   0.223
  565    HG3  ARG  75           HG3      ARG  75  24.955  -1.968  -1.230
  566    HD2  ARG  75           HD2      ARG  75  26.559   0.576  -1.212
  567    HD3  ARG  75           HD3      ARG  75  27.252  -1.040  -1.324
  568    HE   ARG  75           HE       ARG  75  25.350  -0.788  -3.353
  569   HH11  ARG  75          HH11      ARG  75  28.432   0.604  -2.457
  570   HH12  ARG  75          HH12      ARG  75  28.915   0.920  -4.092
  571   HH21  ARG  75          HH21      ARG  75  25.990  -0.386  -5.518
  572   HH22  ARG  75          HH22      ARG  75  27.526   0.357  -5.831
  573    H    TRP  76           H        TRP  76  20.542  -0.903  -1.858
  574    HA   TRP  76           HA       TRP  76  19.730   1.853  -1.219
  575    HB2  TRP  76           HB2      TRP  76  18.905   0.056  -3.502
  576    HB3  TRP  76           HB3      TRP  76  18.280   1.676  -3.223
  577    HD1  TRP  76           HD1      TRP  76  22.011   0.715  -2.991
  578    HE1  TRP  76           HE1      TRP  76  23.281   2.004  -4.802
  579    HE3  TRP  76           HE3      TRP  76  18.060   2.979  -5.275
  580    HZ2  TRP  76           HZ2      TRP  76  22.680   3.733  -6.929
  581    HZ3  TRP  76           HZ3      TRP  76  18.484   4.472  -7.166
  582    HH2  TRP  76           HH2      TRP  76  20.757   4.854  -7.970
  583    H    THR  77           H        THR  77  17.514   2.305  -0.840
  584    HA   THR  77           HA       THR  77  16.028   0.011   0.258
  585    HB   THR  77           HB       THR  77  15.985   2.844   1.308
  586    HG1  THR  77           HG1      THR  77  17.089   1.607   3.140
  587   HG21  THR  77          HG21      THR  77  13.934   1.625   1.753
  588   HG22  THR  77          HG22      THR  77  14.862   1.801   3.241
  589   HG23  THR  77          HG23      THR  77  14.856   0.260   2.386
  590    H    CYS  78           H        CYS  78  13.839  -0.096  -0.142
  591    HA   CYS  78           HA       CYS  78  12.778   1.391  -2.336
  592    HB2  CYS  78           HB2      CYS  78  12.099  -0.929  -1.898
  593    HB3  CYS  78           HB3      CYS  78  11.421  -0.451  -0.348
  594    H    CYS  79           H        CYS  79  12.076   3.409  -2.199
  595    HA   CYS  79           HA       CYS  79  11.314   4.445   0.440
  596    HB2  CYS  79           HB2      CYS  79  13.147   5.654  -0.319
  597    HB3  CYS  79           HB3      CYS  79  12.575   5.697  -1.983
  598    H    LYS  80           H        LYS  80   9.437   5.466   0.791
  599    HA   LYS  80           HA       LYS  80   7.330   4.973  -1.117
  600    HB2  LYS  80           HB2      LYS  80   7.193   4.750   1.446
  601    HB3  LYS  80           HB3      LYS  80   7.035   6.502   1.456
  602    HG2  LYS  80           HG2      LYS  80   5.093   6.177  -0.147
  603    HG3  LYS  80           HG3      LYS  80   5.181   4.467   0.274
  604    HD2  LYS  80           HD2      LYS  80   4.727   6.746   2.201
  605    HD3  LYS  80           HD3      LYS  80   3.496   5.636   1.606
  606    HE2  LYS  80           HE2      LYS  80   4.019   4.766   3.690
  607    HE3  LYS  80           HE3      LYS  80   5.000   3.791   2.602
  608    HZ1  LYS  80           HZ1      LYS  80   5.974   6.091   4.140
  609    HZ2  LYS  80           HZ2      LYS  80   6.879   5.160   3.171
  610    HZ3  LYS  80           HZ3      LYS  80   6.237   4.534   4.524
  611    H    GLU  81           H        GLU  81   7.645   6.319  -2.831
  612    HA   GLU  81           HA       GLU  81   7.403   8.178  -4.102
  613    HB2  GLU  81           HB2      GLU  81   5.708   9.093  -1.777
  614    HB3  GLU  81           HB3      GLU  81   5.679   9.769  -3.401
  615    HG2  GLU  81           HG2      GLU  81   4.886   7.671  -4.297
  616    HG3  GLU  81           HG3      GLU  81   5.006   6.924  -2.707
  617    H    ILE  82           H        ILE  82   9.431   8.974  -4.188
  618    HA   ILE  82           HA       ILE  82  10.842  10.347  -2.219
  619    HB   ILE  82           HB       ILE  82  11.075  10.758  -5.207
  620   HG12  ILE  82          HG12      ILE  82  12.548   8.827  -3.399
  621   HG13  ILE  82          HG13      ILE  82  11.282   8.384  -4.540
  622   HG21  ILE  82          HG21      ILE  82  12.190  12.493  -3.908
  623   HG22  ILE  82          HG22      ILE  82  13.368  11.451  -4.706
  624   HG23  ILE  82          HG23      ILE  82  13.050  11.262  -2.982
  625   HD11  ILE  82          HD11      ILE  82  13.515   7.900  -5.402
  626   HD12  ILE  82          HD12      ILE  82  13.935   9.609  -5.265
  627   HD13  ILE  82          HD13      ILE  82  12.679   9.098  -6.392
  Start of MODEL    5
    1    H1   LEU   1           H1       LEU   1 -18.200   3.210  -4.584
    2    H2   LEU   1           H2       LEU   1 -18.887   4.406  -3.729
    3    H3   LEU   1           H3       LEU   1 -18.768   2.919  -3.086
    4    HA   LEU   1           HA       LEU   1 -17.147   4.397  -2.133
    5    HB2  LEU   1           HB2      LEU   1 -16.182   2.125  -3.846
    6    HB3  LEU   1           HB3      LEU   1 -15.109   2.992  -2.775
    7    HG   LEU   1           HG       LEU   1 -17.573   1.525  -1.900
    8   HD11  LEU   1          HD11      LEU   1 -16.043  -0.180  -1.047
    9   HD12  LEU   1          HD12      LEU   1 -14.687   0.685  -1.770
   10   HD13  LEU   1          HD13      LEU   1 -15.930  -0.025  -2.800
   11   HD21  LEU   1          HD21      LEU   1 -15.297   2.747  -0.353
   12   HD22  LEU   1          HD22      LEU   1 -16.574   1.749   0.342
   13   HD23  LEU   1          HD23      LEU   1 -16.969   3.307  -0.381
   14    HA   PRO   2           HA       PRO   2 -14.914   7.373  -4.573
   15    HB2  PRO   2           HB2      PRO   2 -12.406   6.265  -3.413
   16    HB3  PRO   2           HB3      PRO   2 -12.992   7.932  -3.445
   17    HG2  PRO   2           HG2      PRO   2 -13.118   6.543  -1.200
   18    HG3  PRO   2           HG3      PRO   2 -14.491   7.572  -1.683
   19    HD2  PRO   2           HD2      PRO   2 -14.165   4.597  -1.926
   20    HD3  PRO   2           HD3      PRO   2 -15.586   5.521  -1.405
   21    H    ARG   3           H        ARG   3 -13.126   7.599  -6.147
   22    HA   ARG   3           HA       ARG   3 -13.522   6.040  -8.324
   23    HB2  ARG   3           HB2      ARG   3 -12.452   8.194  -8.445
   24    HB3  ARG   3           HB3      ARG   3 -11.057   7.598  -7.562
   25    HG2  ARG   3           HG2      ARG   3 -10.564   6.075  -9.442
   26    HG3  ARG   3           HG3      ARG   3 -11.907   6.795 -10.333
   27    HD2  ARG   3           HD2      ARG   3 -10.835   8.961 -10.262
   28    HD3  ARG   3           HD3      ARG   3  -9.531   8.313  -9.270
   29    HE   ARG   3           HE       ARG   3  -9.755   6.881 -11.706
   30   HH11  ARG   3          HH11      ARG   3  -8.635   9.921 -10.393
   31   HH12  ARG   3          HH12      ARG   3  -7.419  10.149 -11.609
   32   HH21  ARG   3          HH21      ARG   3  -8.158   7.164 -13.305
   33   HH22  ARG   3          HH22      ARG   3  -7.147   8.573 -13.267
   34    H    ASP   4           H        ASP   4 -10.824   5.611  -6.037
   35    HA   ASP   4           HA       ASP   4 -10.062   3.200  -7.558
   36    HB2  ASP   4           HB2      ASP   4  -8.313   5.092  -5.997
   37    HB3  ASP   4           HB3      ASP   4  -7.760   3.591  -6.725
   38    H    THR   5           H        THR   5 -11.744   3.728  -4.917
   39    HA   THR   5           HA       THR   5 -10.172   2.407  -2.927
   40    HB   THR   5           HB       THR   5 -13.146   2.924  -2.976
   41    HG1  THR   5           HG1      THR   5 -12.081   4.411  -1.186
   42   HG21  THR   5          HG21      THR   5 -12.604   1.067  -1.494
   43   HG22  THR   5          HG22      THR   5 -13.028   2.496  -0.550
   44   HG23  THR   5          HG23      THR   5 -11.336   2.027  -0.731
   45    H    SER   6           H        SER   6 -13.087   1.377  -4.723
   46    HA   SER   6           HA       SER   6 -13.113  -1.265  -3.803
   47    HB2  SER   6           HB2      SER   6 -14.969  -0.106  -4.990
   48    HB3  SER   6           HB3      SER   6 -14.059  -0.252  -6.489
   49    HG   SER   6           HG       SER   6 -14.062  -2.618  -5.920
   50    H    ARG   7           H        ARG   7 -11.435   0.310  -6.391
   51    HA   ARG   7           HA       ARG   7 -10.236  -1.886  -7.654
   52    HB2  ARG   7           HB2      ARG   7 -10.145   0.211  -8.741
   53    HB3  ARG   7           HB3      ARG   7  -9.514   1.015  -7.314
   54    HG2  ARG   7           HG2      ARG   7  -7.504  -0.683  -7.764
   55    HG3  ARG   7           HG3      ARG   7  -8.109  -0.507  -9.414
   56    HD2  ARG   7           HD2      ARG   7  -7.948   1.932  -9.200
   57    HD3  ARG   7           HD3      ARG   7  -7.333   1.739  -7.554
   58    HE   ARG   7           HE       ARG   7  -5.588   0.300  -9.003
   59   HH11  ARG   7          HH11      ARG   7  -6.824   3.557  -9.449
   60   HH12  ARG   7          HH12      ARG   7  -5.339   4.149 -10.130
   61   HH21  ARG   7          HH21      ARG   7  -3.640   1.095  -9.894
   62   HH22  ARG   7          HH22      ARG   7  -3.534   2.757 -10.377
   63    H    CYS   8           H        CYS   8  -9.001   0.247  -5.078
   64    HA   CYS   8           HA       CYS   8  -6.467  -0.986  -5.005
   65    HB2  CYS   8           HB2      CYS   8  -7.304   1.374  -4.119
   66    HB3  CYS   8           HB3      CYS   8  -7.502   0.457  -2.626
   67    H    VAL   9           H        VAL   9  -9.409  -1.516  -3.118
   68    HA   VAL   9           HA       VAL   9  -8.380  -2.841  -0.922
   69    HB   VAL   9           HB       VAL   9 -10.962  -3.528  -2.335
   70   HG11  VAL   9          HG11      VAL   9 -11.707  -4.328  -0.143
   71   HG12  VAL   9          HG12      VAL   9 -10.111  -3.986   0.523
   72   HG13  VAL   9          HG13      VAL   9 -10.301  -5.227  -0.714
   73   HG21  VAL   9          HG21      VAL   9 -12.001  -1.967  -0.747
   74   HG22  VAL   9          HG22      VAL   9 -10.849  -1.164  -1.814
   75   HG23  VAL   9          HG23      VAL   9 -10.401  -1.530  -0.149
   76    H    GLY  10           H        GLY  10  -9.145  -4.174  -4.105
   77    HA2  GLY  10           HA2      GLY  10  -8.452  -6.854  -3.301
   78    HA3  GLY  10           HA3      GLY  10  -8.826  -6.318  -4.931
   79    H    TYR  11           H        TYR  11  -6.698  -4.130  -4.457
   80    HA   TYR  11           HA       TYR  11  -4.568  -5.791  -5.560
   81    HB2  TYR  11           HB2      TYR  11  -5.112  -2.835  -5.646
   82    HB3  TYR  11           HB3      TYR  11  -3.581  -3.526  -6.168
   83    HD1  TYR  11           HD1      TYR  11  -6.413  -2.238  -7.439
   84    HD2  TYR  11           HD2      TYR  11  -4.171  -5.836  -7.660
   85    HE1  TYR  11           HE1      TYR  11  -7.395  -2.700  -9.643
   86    HE2  TYR  11           HE2      TYR  11  -5.141  -6.320  -9.858
   87    HH   TYR  11           HH       TYR  11  -6.971  -3.976 -11.613
   88    H    HIS  12           H        HIS  12  -4.752  -2.980  -3.343
   89    HA   HIS  12           HA       HIS  12  -2.235  -3.963  -2.155
   90    HB2  HIS  12           HB2      HIS  12  -2.899  -1.038  -2.180
   91    HB3  HIS  12           HB3      HIS  12  -1.326  -1.820  -2.090
   92    HD1  HIS  12           HD1      HIS  12  -3.311   0.068  -4.326
   93    HD2  HIS  12           HD2      HIS  12  -0.783  -3.205  -4.754
   94    HE1  HIS  12           HE1      HIS  12  -2.715  -0.013  -6.766
   95    HE2  HIS  12           HE2      HIS  12  -1.005  -1.848  -6.948
   96    H    GLY  13           H        GLY  13  -5.208  -4.128  -1.427
   97    HA2  GLY  13           HA2      GLY  13  -5.806  -4.770   0.791
   98    HA3  GLY  13           HA3      GLY  13  -4.679  -3.570   1.404
   99    H    TYR  14           H        TYR  14  -6.858  -3.379   2.673
  100    HA   TYR  14           HA       TYR  14  -8.999  -2.057   1.290
  101    HB2  TYR  14           HB2      TYR  14 -10.029  -1.915   3.571
  102    HB3  TYR  14           HB3      TYR  14  -9.615  -3.546   3.062
  103    HD1  TYR  14           HD1      TYR  14  -8.451  -0.719   5.156
  104    HD2  TYR  14           HD2      TYR  14  -8.215  -4.888   4.378
  105    HE1  TYR  14           HE1      TYR  14  -7.174  -1.020   7.235
  106    HE2  TYR  14           HE2      TYR  14  -6.938  -5.209   6.452
  107    HH   TYR  14           HH       TYR  14  -5.534  -3.926   7.962
  108    H    CYS  15           H        CYS  15  -9.957  -0.044   2.547
  109    HA   CYS  15           HA       CYS  15  -7.749   1.900   2.469
  110    HB2  CYS  15           HB2      CYS  15 -10.561   2.302   1.446
  111    HB3  CYS  15           HB3      CYS  15  -9.194   3.394   1.248
  112    H    ILE  16           H        ILE  16  -7.566   2.109   4.694
  113    HA   ILE  16           HA       ILE  16  -9.891   3.121   6.149
  114    HB   ILE  16           HB       ILE  16  -8.487   3.056   8.161
  115   HG12  ILE  16          HG12      ILE  16  -6.380   1.967   6.292
  116   HG13  ILE  16          HG13      ILE  16  -6.299   3.463   7.205
  117   HG21  ILE  16          HG21      ILE  16  -8.296   0.601   8.301
  118   HG22  ILE  16          HG22      ILE  16  -8.585   0.517   6.563
  119   HG23  ILE  16          HG23      ILE  16  -9.833   1.149   7.633
  120   HD11  ILE  16          HD11      ILE  16  -6.374   0.700   8.394
  121   HD12  ILE  16          HD12      ILE  16  -6.240   2.216   9.286
  122   HD13  ILE  16          HD13      ILE  16  -4.939   1.708   8.209
  123    H    ARG  17           H        ARG  17  -8.940   4.971   7.855
  124    HA   ARG  17           HA       ARG  17  -8.511   7.140   5.979
  125    HB2  ARG  17           HB2      ARG  17 -10.233   7.322   7.728
  126    HB3  ARG  17           HB3      ARG  17  -8.983   7.228   8.961
  127    HG2  ARG  17           HG2      ARG  17  -7.988   9.301   8.047
  128    HG3  ARG  17           HG3      ARG  17  -9.340   9.408   6.916
  129    HD2  ARG  17           HD2      ARG  17  -9.508   9.457   9.926
  130    HD3  ARG  17           HD3      ARG  17  -9.724  10.830   8.844
  131    HE   ARG  17           HE       ARG  17 -11.525   8.580   8.460
  132   HH11  ARG  17          HH11      ARG  17 -11.008  11.749   9.866
  133   HH12  ARG  17          HH12      ARG  17 -12.704  12.076  10.059
  134   HH21  ARG  17          HH21      ARG  17 -13.746   9.004   8.713
  135   HH22  ARG  17          HH22      ARG  17 -14.261  10.512   9.400
  136    H    SER  18           H        SER  18  -6.717   5.489   8.493
  137    HA   SER  18           HA       SER  18  -4.571   7.477   8.191
  138    HB2  SER  18           HB2      SER  18  -5.569   6.198  10.738
  139    HB3  SER  18           HB3      SER  18  -4.154   7.242  10.626
  140    HG   SER  18           HG       SER  18  -6.073   8.577   9.478
  141    H    LYS  19           H        LYS  19  -2.519   6.547   9.384
  142    HA   LYS  19           HA       LYS  19  -1.854   4.146   7.901
  143    HB2  LYS  19           HB2      LYS  19  -0.034   5.670   9.750
  144    HB3  LYS  19           HB3      LYS  19   0.403   4.690   8.358
  145    HG2  LYS  19           HG2      LYS  19  -1.128   7.272   8.203
  146    HG3  LYS  19           HG3      LYS  19   0.612   7.123   7.993
  147    HD2  LYS  19           HD2      LYS  19   0.348   5.812   6.026
  148    HD3  LYS  19           HD3      LYS  19  -1.379   5.605   6.326
  149    HE2  LYS  19           HE2      LYS  19  -1.001   7.240   4.567
  150    HE3  LYS  19           HE3      LYS  19  -1.728   7.997   5.983
  151    HZ1  LYS  19           HZ1      LYS  19   0.468   8.776   6.586
  152    HZ2  LYS  19           HZ2      LYS  19   0.043   9.329   5.121
  153    HZ3  LYS  19           HZ3      LYS  19   1.110   8.110   5.247
  154    H    VAL  20           H        VAL  20  -3.601   4.171  10.277
  155    HA   VAL  20           HA       VAL  20  -2.216   2.892  12.443
  156    HB   VAL  20           HB       VAL  20  -5.204   2.883  12.069
  157   HG11  VAL  20          HG11      VAL  20  -3.480   3.062  14.537
  158   HG12  VAL  20          HG12      VAL  20  -4.280   1.606  13.949
  159   HG13  VAL  20          HG13      VAL  20  -5.240   2.980  14.499
  160   HG21  VAL  20          HG21      VAL  20  -5.335   5.070  13.079
  161   HG22  VAL  20          HG22      VAL  20  -4.360   5.150  11.611
  162   HG23  VAL  20          HG23      VAL  20  -3.577   5.157  13.191
  163    H    CYS  21           H        CYS  21  -1.941   1.529   9.906
  164    HA   CYS  21           HA       CYS  21  -3.665  -0.657   9.616
  165    HB2  CYS  21           HB2      CYS  21  -0.728  -0.556   8.922
  166    HB3  CYS  21           HB3      CYS  21  -1.960  -1.578   8.187
  167    HA   PRO  22           HA       PRO  22  -2.298  -3.179  13.085
  168    HB2  PRO  22           HB2      PRO  22  -3.900  -5.291  12.560
  169    HB3  PRO  22           HB3      PRO  22  -4.520  -3.802  13.283
  170    HG2  PRO  22           HG2      PRO  22  -4.654  -4.728  10.443
  171    HG3  PRO  22           HG3      PRO  22  -5.901  -3.939  11.424
  172    HD2  PRO  22           HD2      PRO  22  -4.368  -2.619   9.593
  173    HD3  PRO  22           HD3      PRO  22  -5.057  -1.844  11.029
  174    H    LYS  23           H        LYS  23  -1.715  -5.751  13.078
  175    HA   LYS  23           HA       LYS  23  -0.161  -6.147  10.627
  176    HB2  LYS  23           HB2      LYS  23   1.567  -7.072  11.823
  177    HB3  LYS  23           HB3      LYS  23   0.931  -5.917  12.985
  178    HG2  LYS  23           HG2      LYS  23   0.330  -8.866  12.956
  179    HG3  LYS  23           HG3      LYS  23   1.488  -8.059  14.016
  180    HD2  LYS  23           HD2      LYS  23  -0.342  -6.691  14.921
  181    HD3  LYS  23           HD3      LYS  23  -1.475  -7.577  13.900
  182    HE2  LYS  23           HE2      LYS  23  -0.847  -9.662  15.038
  183    HE3  LYS  23           HE3      LYS  23   0.258  -8.757  16.070
  184    HZ1  LYS  23           HZ1      LYS  23  -2.652  -8.391  15.969
  185    HZ2  LYS  23           HZ2      LYS  23  -1.634  -7.560  16.925
  186    HZ3  LYS  23           HZ3      LYS  23  -1.836  -9.157  17.153
  187    HA   PRO  24           HA       PRO  24   0.975  -7.472   9.825
  188    HB2  PRO  24           HB2      PRO  24   1.224  -9.056   7.682
  189    HB3  PRO  24           HB3      PRO  24   1.640  -9.639   9.297
  190    HG2  PRO  24           HG2      PRO  24  -0.806 -10.162   7.667
  191    HG3  PRO  24           HG3      PRO  24   0.096 -11.264   8.718
  192    HD2  PRO  24           HD2      PRO  24  -2.240  -9.908   9.417
  193    HD3  PRO  24           HD3      PRO  24  -1.092 -10.629  10.560
  194    H    PHE  25           H        PHE  25   0.150  -5.480   9.132
  195    HA   PHE  25           HA       PHE  25  -0.808  -5.420   6.383
  196    HB2  PHE  25           HB2      PHE  25  -2.271  -4.147   8.706
  197    HB3  PHE  25           HB3      PHE  25  -2.508  -3.637   7.039
  198    HD1  PHE  25           HD1      PHE  25  -3.955  -4.798   5.624
  199    HD2  PHE  25           HD2      PHE  25  -2.789  -6.517   9.334
  200    HE1  PHE  25           HE1      PHE  25  -5.617  -6.581   5.314
  201    HE2  PHE  25           HE2      PHE  25  -4.457  -8.304   9.028
  202    HZ   PHE  25           HZ       PHE  25  -5.862  -8.333   7.010
  203    H    ALA  26           H        ALA  26  -0.050  -3.720   5.252
  204    HA   ALA  26           HA       ALA  26   1.555  -1.766   6.770
  205    HB1  ALA  26           HB1      ALA  26   3.205  -1.766   5.066
  206    HB2  ALA  26           HB2      ALA  26   2.181  -2.708   3.984
  207    HB3  ALA  26           HB3      ALA  26   2.860  -3.462   5.427
  208    H    ALA  27           H        ALA  27   1.206   0.334   6.391
  209    HA   ALA  27           HA       ALA  27  -0.867   1.296   4.771
  210    HB1  ALA  27           HB1      ALA  27   1.528   2.713   5.935
  211    HB2  ALA  27           HB2      ALA  27  -0.060   2.546   6.680
  212    HB3  ALA  27           HB3      ALA  27   0.134   3.516   5.220
  213    H    PHE  28           H        PHE  28  -0.726   0.671   2.672
  214    HA   PHE  28           HA       PHE  28   1.725   1.273   1.200
  215    HB2  PHE  28           HB2      PHE  28  -0.361  -0.768   1.002
  216    HB3  PHE  28           HB3      PHE  28   0.035  -0.046  -0.547
  217    HD1  PHE  28           HD1      PHE  28   0.596  -2.835   1.054
  218    HD2  PHE  28           HD2      PHE  28   2.871   0.461  -0.362
  219    HE1  PHE  28           HE1      PHE  28   2.578  -4.276   0.910
  220    HE2  PHE  28           HE2      PHE  28   4.862  -0.973  -0.505
  221    HZ   PHE  28           HZ       PHE  28   4.717  -3.344   0.128
  222    H    GLY  29           H        GLY  29   1.508   3.461   0.993
  223    HA2  GLY  29           HA2      GLY  29   0.860   5.416   0.001
  224    HA3  GLY  29           HA3      GLY  29   0.354   4.399  -1.337
  225    H    THR  30           H        THR  30  -1.519   5.326  -1.906
  226    HA   THR  30           HA       THR  30  -3.693   5.208   0.056
  227    HB   THR  30           HB       THR  30  -4.597   7.358  -0.705
  228    HG1  THR  30           HG1      THR  30  -2.175   7.646  -2.192
  229   HG21  THR  30          HG21      THR  30  -1.759   7.378   0.299
  230   HG22  THR  30          HG22      THR  30  -3.247   7.586   1.223
  231   HG23  THR  30          HG23      THR  30  -2.698   8.858   0.130
  232    H    CYS  31           H        CYS  31  -5.748   4.729  -0.868
  233    HA   CYS  31           HA       CYS  31  -5.672   3.304  -3.321
  234    HB2  CYS  31           HB2      CYS  31  -8.107   4.195  -1.780
  235    HB3  CYS  31           HB3      CYS  31  -7.995   2.850  -2.907
  236    H    SER  32           H        SER  32  -7.926   5.896  -2.423
  237    HA   SER  32           HA       SER  32  -7.859   6.794  -5.223
  238    HB2  SER  32           HB2      SER  32 -10.016   5.787  -4.350
  239    HB3  SER  32           HB3      SER  32 -10.130   7.158  -3.248
  240    HG   SER  32           HG       SER  32  -9.667   8.047  -5.738
  241    H    TRP  33           H        TRP  33  -9.042   8.214  -2.198
  242    HA   TRP  33           HA       TRP  33  -7.581  10.660  -2.782
  243    HB2  TRP  33           HB2      TRP  33  -9.208  10.261  -0.289
  244    HB3  TRP  33           HB3      TRP  33  -8.944  11.730  -1.216
  245    HD1  TRP  33           HD1      TRP  33 -11.752  10.017  -0.275
  246    HE1  TRP  33           HE1      TRP  33 -13.595   9.854  -2.058
  247    HE3  TRP  33           HE3      TRP  33  -8.967  11.077  -4.443
  248    HZ2  TRP  33           HZ2      TRP  33 -13.840  10.124  -4.844
  249    HZ3  TRP  33           HZ3      TRP  33 -10.101  11.099  -6.628
  250    HH2  TRP  33           HH2      TRP  33 -12.475  10.632  -6.822
  251    H    ARG  34           H        ARG  34  -6.109  11.558  -1.201
  252    HA   ARG  34           HA       ARG  34  -4.314   9.679  -0.113
  253    HB2  ARG  34           HB2      ARG  34  -3.719  12.002  -0.789
  254    HB3  ARG  34           HB3      ARG  34  -4.612  12.604   0.598
  255    HG2  ARG  34           HG2      ARG  34  -2.411  10.646   0.996
  256    HG3  ARG  34           HG3      ARG  34  -2.037  12.337   0.708
  257    HD2  ARG  34           HD2      ARG  34  -3.748  11.226   2.926
  258    HD3  ARG  34           HD3      ARG  34  -2.114  11.859   3.092
  259    HE   ARG  34           HE       ARG  34  -3.773  13.837   1.965
  260   HH11  ARG  34          HH11      ARG  34  -3.181  12.179   4.988
  261   HH12  ARG  34          HH12      ARG  34  -3.777  13.479   5.968
  262   HH21  ARG  34          HH21      ARG  34  -4.572  15.554   3.254
  263   HH22  ARG  34          HH22      ARG  34  -4.578  15.394   4.983
  264    H    GLN  35           H        GLN  35  -7.025  11.349   1.093
  265    HA   GLN  35           HA       GLN  35  -6.873  11.135   3.826
  266    HB2  GLN  35           HB2      GLN  35  -9.338  10.731   2.143
  267    HB3  GLN  35           HB3      GLN  35  -9.290  11.249   3.822
  268    HG2  GLN  35           HG2      GLN  35  -8.007  13.236   3.094
  269    HG3  GLN  35           HG3      GLN  35  -8.268  12.740   1.431
  270   HE21  GLN  35          HE21      GLN  35 -10.303  12.916   0.529
  271   HE22  GLN  35          HE22      GLN  35 -11.570  13.835   1.260
  272    H    LYS  36           H        LYS  36  -7.231   8.573   1.578
  273    HA   LYS  36           HA       LYS  36  -7.562   6.754   3.861
  274    HB2  LYS  36           HB2      LYS  36  -8.537   5.091   2.169
  275    HB3  LYS  36           HB3      LYS  36  -9.561   6.385   2.759
  276    HG2  LYS  36           HG2      LYS  36  -8.089   6.959   0.281
  277    HG3  LYS  36           HG3      LYS  36  -9.329   5.705   0.178
  278    HD2  LYS  36           HD2      LYS  36  -9.813   8.431   1.374
  279    HD3  LYS  36           HD3      LYS  36 -10.129   8.041  -0.319
  280    HE2  LYS  36           HE2      LYS  36 -11.837   6.557   0.214
  281    HE3  LYS  36           HE3      LYS  36 -11.289   6.363   1.870
  282    HZ1  LYS  36           HZ1      LYS  36 -12.020   8.609   2.296
  283    HZ2  LYS  36           HZ2      LYS  36 -13.257   7.706   1.755
  284    HZ3  LYS  36           HZ3      LYS  36 -12.541   8.772   0.766
  285    H    THR  37           H        THR  37  -6.070   5.361   4.206
  286    HA   THR  37           HA       THR  37  -3.816   5.098   2.387
  287    HB   THR  37           HB       THR  37  -4.246   3.878   5.126
  288    HG1  THR  37           HG1      THR  37  -3.887   6.429   4.442
  289   HG21  THR  37          HG21      THR  37  -1.693   4.410   3.604
  290   HG22  THR  37          HG22      THR  37  -2.470   2.834   3.750
  291   HG23  THR  37          HG23      THR  37  -1.837   3.642   5.186
  292    H    CYS  38           H        CYS  38  -3.153   3.098   1.477
  293    HA   CYS  38           HA       CYS  38  -5.303   1.116   1.303
  294    HB2  CYS  38           HB2      CYS  38  -3.985   2.207  -0.693
  295    HB3  CYS  38           HB3      CYS  38  -2.761   1.014  -0.284
  296    H    CYS  39           H        CYS  39  -5.169  -0.299   2.965
  297    HA   CYS  39           HA       CYS  39  -2.487  -1.123   3.855
  298    HB2  CYS  39           HB2      CYS  39  -5.123  -1.129   5.328
  299    HB3  CYS  39           HB3      CYS  39  -3.605  -1.731   5.986
  300    H    VAL  40           H        VAL  40  -1.973  -2.922   2.773
  301    HA   VAL  40           HA       VAL  40  -3.979  -5.038   2.500
  302    HB   VAL  40           HB       VAL  40  -2.516  -4.271   0.547
  303   HG11  VAL  40          HG11      VAL  40  -0.401  -4.245   1.807
  304   HG12  VAL  40          HG12      VAL  40  -0.318  -5.203   0.332
  305   HG13  VAL  40          HG13      VAL  40  -0.457  -6.005   1.898
  306   HG21  VAL  40          HG21      VAL  40  -3.858  -6.204   0.319
  307   HG22  VAL  40          HG22      VAL  40  -2.776  -7.160   1.333
  308   HG23  VAL  40          HG23      VAL  40  -2.250  -6.633  -0.269
  309    H    ASP  41           H        ASP  41  -3.567  -7.167   3.170
  310    HA   ASP  41           HA       ASP  41  -2.140  -7.468   5.571
  311    HB2  ASP  41           HB2      ASP  41  -2.705  -9.920   5.050
  312    HB3  ASP  41           HB3      ASP  41  -4.026  -8.818   5.343
  313    H    THR  42           H        THR  42  -0.030  -6.958   5.235
  314    HA   THR  42           HA       THR  42   1.399  -7.884   2.943
  315    HB   THR  42           HB       THR  42   3.358  -6.834   4.338
  316    HG1  THR  42           HG1      THR  42   2.685  -6.371   6.294
  317   HG21  THR  42          HG21      THR  42   2.739  -4.624   3.565
  318   HG22  THR  42          HG22      THR  42   1.053  -5.116   3.409
  319   HG23  THR  42          HG23      THR  42   2.280  -5.822   2.357
  320    H    THR  43           H        THR  43   1.076 -10.172   3.273
  321    HA   THR  43           HA       THR  43   3.141 -11.249   5.053
  322    HB   THR  43           HB       THR  43   1.096 -12.224   5.716
  323    HG1  THR  43           HG1      THR  43   1.539 -14.476   4.466
  324   HG21  THR  43          HG21      THR  43  -0.166 -11.663   3.620
  325   HG22  THR  43          HG22      THR  43  -0.516 -13.252   4.297
  326   HG23  THR  43          HG23      THR  43   0.535 -13.108   2.891
  327    H    SER  44           H        SER  44   1.631 -12.062   1.902
  328    HA   SER  44           HA       SER  44   4.235 -13.010   0.964
  329    HB2  SER  44           HB2      SER  44   2.316 -14.519   0.689
  330    HB3  SER  44           HB3      SER  44   1.502 -13.300  -0.282
  331    HG   SER  44           HG       SER  44   2.729 -13.764  -1.943
  332    H    ASP  45           H        ASP  45   1.627 -10.813  -0.033
  333    HA   ASP  45           HA       ASP  45   2.958 -10.145  -2.492
  334    HB2  ASP  45           HB2      ASP  45   0.967  -8.930  -3.048
  335    HB3  ASP  45           HB3      ASP  45   0.491 -10.454  -2.311
  336    H    PHE  46           H        PHE  46   3.230  -8.998   0.569
  337    HA   PHE  46           HA       PHE  46   3.138  -6.297   0.584
  338    HB2  PHE  46           HB2      PHE  46   4.782  -6.318   2.340
  339    HB3  PHE  46           HB3      PHE  46   3.616  -7.624   2.536
  340    HD1  PHE  46           HD1      PHE  46   7.016  -6.740   2.369
  341    HD2  PHE  46           HD2      PHE  46   4.301  -9.875   1.627
  342    HE1  PHE  46           HE1      PHE  46   8.878  -8.339   2.458
  343    HE2  PHE  46           HE2      PHE  46   6.131 -11.510   1.703
  344    HZ   PHE  46           HZ       PHE  46   8.442 -10.745   2.117
  345    H    HIS  47           H        HIS  47   5.463  -8.149  -1.139
  346    HA   HIS  47           HA       HIS  47   7.491  -6.223  -1.397
  347    HB2  HIS  47           HB2      HIS  47   6.733  -8.606  -3.040
  348    HB3  HIS  47           HB3      HIS  47   7.974  -7.493  -3.612
  349    HD1  HIS  47           HD1      HIS  47   9.835  -6.978  -1.538
  350    HD2  HIS  47           HD2      HIS  47   7.829 -10.617  -1.610
  351    HE1  HIS  47           HE1      HIS  47  11.185  -8.520  -0.091
  352    HE2  HIS  47           HE2      HIS  47   9.905 -10.690  -0.065
  353    H    THR  48           H        THR  48   4.392  -5.947  -2.376
  354    HA   THR  48           HA       THR  48   4.189  -4.791  -4.831
  355    HB   THR  48           HB       THR  48   2.906  -4.114  -2.210
  356    HG1  THR  48           HG1      THR  48   2.081  -6.000  -2.780
  357   HG21  THR  48          HG21      THR  48   1.147  -2.908  -3.393
  358   HG22  THR  48          HG22      THR  48   2.004  -3.128  -4.918
  359   HG23  THR  48          HG23      THR  48   2.713  -2.123  -3.647
  360    H    CYS  49           H        CYS  49   6.261  -3.615  -2.461
  361    HA   CYS  49           HA       CYS  49   5.895  -0.994  -2.092
  362    HB2  CYS  49           HB2      CYS  49   8.021  -0.920  -1.288
  363    HB3  CYS  49           HB3      CYS  49   7.847  -2.657  -1.434
  364    H    GLN  50           H        GLN  50   7.583  -2.180  -5.069
  365    HA   GLN  50           HA       GLN  50   8.173   0.449  -5.925
  366    HB2  GLN  50           HB2      GLN  50   8.773  -0.552  -8.078
  367    HB3  GLN  50           HB3      GLN  50   9.516  -1.373  -6.728
  368    HG2  GLN  50           HG2      GLN  50   7.024  -2.394  -8.045
  369    HG3  GLN  50           HG3      GLN  50   8.636  -2.798  -8.629
  370   HE21  GLN  50          HE21      GLN  50   6.274  -3.315  -6.198
  371   HE22  GLN  50          HE22      GLN  50   7.121  -4.541  -5.306
  372    H    ASP  51           H        ASP  51   5.308  -1.457  -6.230
  373    HA   ASP  51           HA       ASP  51   4.125  -0.166  -8.464
  374    HB2  ASP  51           HB2      ASP  51   3.113  -2.190  -7.722
  375    HB3  ASP  51           HB3      ASP  51   2.977  -1.607  -6.069
  376    H    LYS  52           H        LYS  52   4.238   0.489  -5.061
  377    HA   LYS  52           HA       LYS  52   2.278   2.626  -5.235
  378    HB2  LYS  52           HB2      LYS  52   3.775   1.453  -2.896
  379    HB3  LYS  52           HB3      LYS  52   2.481   2.636  -2.782
  380    HG2  LYS  52           HG2      LYS  52   1.838   0.226  -4.319
  381    HG3  LYS  52           HG3      LYS  52   2.149  -0.026  -2.603
  382    HD2  LYS  52           HD2      LYS  52  -0.258   0.407  -3.195
  383    HD3  LYS  52           HD3      LYS  52   0.414   1.512  -1.995
  384    HE2  LYS  52           HE2      LYS  52  -0.871   2.796  -3.546
  385    HE3  LYS  52           HE3      LYS  52   0.830   3.147  -3.829
  386    HZ1  LYS  52           HZ1      LYS  52  -1.017   1.640  -5.499
  387    HZ2  LYS  52           HZ2      LYS  52   0.571   1.319  -5.606
  388    HZ3  LYS  52           HZ3      LYS  52   0.019   2.818  -5.928
  389    H    GLY  53           H        GLY  53   5.168   2.658  -6.222
  390    HA2  GLY  53           HA2      GLY  53   6.474   4.547  -6.666
  391    HA3  GLY  53           HA3      GLY  53   5.672   5.384  -5.342
  392    H    GLY  54           H        GLY  54   7.021   2.184  -4.993
  393    HA2  GLY  54           HA2      GLY  54   8.850   3.111  -2.975
  394    HA3  GLY  54           HA3      GLY  54   8.686   1.462  -3.550
  395    H    HIS  55           H        HIS  55  10.518   4.202  -3.557
  396    HA   HIS  55           HA       HIS  55  12.047   3.457  -5.951
  397    HB2  HIS  55           HB2      HIS  55  12.031   5.988  -4.289
  398    HB3  HIS  55           HB3      HIS  55  13.156   5.695  -5.609
  399    HD1  HIS  55           HD1      HIS  55  12.444   6.714  -7.737
  400    HD2  HIS  55           HD2      HIS  55   9.182   5.731  -5.344
  401    HE1  HIS  55           HE1      HIS  55  10.417   7.517  -8.990
  402    HE2  HIS  55           HE2      HIS  55   8.452   6.868  -7.553
  403    H    CYS  56           H        CYS  56  14.522   4.063  -5.545
  404    HA   CYS  56           HA       CYS  56  15.278   2.678  -3.064
  405    HB2  CYS  56           HB2      CYS  56  16.467   2.465  -5.830
  406    HB3  CYS  56           HB3      CYS  56  17.265   1.849  -4.387
  407    H    VAL  57           H        VAL  57  16.490   3.832  -1.736
  408    HA   VAL  57           HA       VAL  57  18.126   5.980  -2.897
  409    HB   VAL  57           HB       VAL  57  17.662   7.423  -1.013
  410   HG11  VAL  57          HG11      VAL  57  16.181   7.547  -2.939
  411   HG12  VAL  57          HG12      VAL  57  15.329   7.940  -1.444
  412   HG13  VAL  57          HG13      VAL  57  15.109   6.359  -2.195
  413   HG21  VAL  57          HG21      VAL  57  15.956   6.850   0.662
  414   HG22  VAL  57          HG22      VAL  57  17.364   5.792   0.739
  415   HG23  VAL  57          HG23      VAL  57  15.871   5.220  -0.007
  416    H    SER  58           H        SER  58  20.138   6.110  -2.246
  417    HA   SER  58           HA       SER  58  21.386   4.099  -0.721
  418    HB2  SER  58           HB2      SER  58  22.680   5.189  -2.382
  419    HB3  SER  58           HB3      SER  58  22.257   6.790  -1.787
  420    HG   SER  58           HG       SER  58  24.412   5.524  -1.246
  421    HA   PRO  59           HA       PRO  59  20.865   5.474   3.432
  422    HB2  PRO  59           HB2      PRO  59  23.330   4.951   4.495
  423    HB3  PRO  59           HB3      PRO  59  22.112   3.713   4.174
  424    HG2  PRO  59           HG2      PRO  59  24.480   4.512   2.527
  425    HG3  PRO  59           HG3      PRO  59  23.873   2.891   2.901
  426    HD2  PRO  59           HD2      PRO  59  23.392   4.069   0.538
  427    HD3  PRO  59           HD3      PRO  59  22.189   3.019   1.313
  428    H    LYS  60           H        LYS  60  22.943   7.042   1.308
  429    HA   LYS  60           HA       LYS  60  23.466   9.190   3.240
  430    HB2  LYS  60           HB2      LYS  60  25.051  10.082   1.606
  431    HB3  LYS  60           HB3      LYS  60  25.428   8.416   2.012
  432    HG2  LYS  60           HG2      LYS  60  24.433   7.660  -0.072
  433    HG3  LYS  60           HG3      LYS  60  23.997   9.323  -0.476
  434    HD2  LYS  60           HD2      LYS  60  26.342   9.952  -0.518
  435    HD3  LYS  60           HD3      LYS  60  26.808   8.321  -0.038
  436    HE2  LYS  60           HE2      LYS  60  25.873   7.435  -2.107
  437    HE3  LYS  60           HE3      LYS  60  25.366   9.055  -2.580
  438    HZ1  LYS  60           HZ1      LYS  60  27.439   8.403  -3.612
  439    HZ2  LYS  60           HZ2      LYS  60  28.148   8.230  -2.161
  440    HZ3  LYS  60           HZ3      LYS  60  27.658   9.701  -2.652
  441    H    ILE  61           H        ILE  61  21.152   8.274   1.172
  442    HA   ILE  61           HA       ILE  61  20.512  10.921   0.118
  443    HB   ILE  61           HB       ILE  61  18.990   8.313  -0.074
  444   HG12  ILE  61          HG12      ILE  61  21.259   8.539  -1.241
  445   HG13  ILE  61          HG13      ILE  61  19.897   8.007  -2.216
  446   HG21  ILE  61          HG21      ILE  61  18.535  10.944  -1.478
  447   HG22  ILE  61          HG22      ILE  61  17.506  10.227  -0.239
  448   HG23  ILE  61          HG23      ILE  61  17.669   9.445  -1.811
  449   HD11  ILE  61          HD11      ILE  61  19.670  10.297  -3.076
  450   HD12  ILE  61          HD12      ILE  61  21.235   9.573  -3.439
  451   HD13  ILE  61          HD13      ILE  61  21.094  10.764  -2.144
  452    H    ARG  62           H        ARG  62  19.195  12.276   1.157
  453    HA   ARG  62           HA       ARG  62  18.064  11.366   3.664
  454    HB2  ARG  62           HB2      ARG  62  18.278  14.127   2.464
  455    HB3  ARG  62           HB3      ARG  62  17.547  13.786   4.030
  456    HG2  ARG  62           HG2      ARG  62  19.666  12.835   4.796
  457    HG3  ARG  62           HG3      ARG  62  20.398  13.241   3.243
  458    HD2  ARG  62           HD2      ARG  62  19.235  15.192   5.226
  459    HD3  ARG  62           HD3      ARG  62  20.949  14.919   4.918
  460    HE   ARG  62           HE       ARG  62  19.122  15.939   2.837
  461   HH11  ARG  62          HH11      ARG  62  22.112  16.163   4.663
  462   HH12  ARG  62          HH12      ARG  62  22.741  17.459   3.702
  463   HH21  ARG  62          HH21      ARG  62  19.968  17.643   1.573
  464   HH22  ARG  62          HH22      ARG  62  21.530  18.294   1.945
  465    H    CYS  63           H        CYS  63  16.470  10.095   3.007
  466    HA   CYS  63           HA       CYS  63  14.038  11.434   2.047
  467    HB2  CYS  63           HB2      CYS  63  14.929  10.181   0.154
  468    HB3  CYS  63           HB3      CYS  63  15.113   8.748   1.156
  469    H    LEU  64           H        LEU  64  12.124  10.706   3.043
  470    HA   LEU  64           HA       LEU  64  12.426   9.031   5.363
  471    HB2  LEU  64           HB2      LEU  64   9.985  10.081   3.927
  472    HB3  LEU  64           HB3      LEU  64   9.886   9.056   5.342
  473    HG   LEU  64           HG       LEU  64   9.548  11.264   6.102
  474   HD11  LEU  64          HD11      LEU  64  12.432  10.586   6.640
  475   HD12  LEU  64          HD12      LEU  64  11.041   9.933   7.502
  476   HD13  LEU  64          HD13      LEU  64  11.411  11.654   7.602
  477   HD21  LEU  64          HD21      LEU  64  12.019  12.055   4.568
  478   HD22  LEU  64          HD22      LEU  64  11.100  13.108   5.643
  479   HD23  LEU  64          HD23      LEU  64  10.354  12.484   4.172
  480    H    GLU  65           H        GLU  65  13.330   7.190   4.596
  481    HA   GLU  65           HA       GLU  65  12.150   5.914   2.272
  482    HB2  GLU  65           HB2      GLU  65  14.300   4.377   2.805
  483    HB3  GLU  65           HB3      GLU  65  14.348   5.813   1.807
  484    HG2  GLU  65           HG2      GLU  65  16.203   5.860   3.285
  485    HG3  GLU  65           HG3      GLU  65  15.080   7.115   3.780
  486    H    GLU  66           H        GLU  66  10.264   5.045   3.217
  487    HA   GLU  66           HA       GLU  66  10.750   2.349   4.089
  488    HB2  GLU  66           HB2      GLU  66   9.535   4.368   5.916
  489    HB3  GLU  66           HB3      GLU  66   8.953   2.708   5.966
  490    HG2  GLU  66           HG2      GLU  66  11.798   2.707   5.918
  491    HG3  GLU  66           HG3      GLU  66  11.230   3.792   7.198
  492    H    GLN  67           H        GLN  67   9.833   2.147   1.932
  493    HA   GLN  67           HA       GLN  67   6.918   2.292   1.869
  494    HB2  GLN  67           HB2      GLN  67   8.020   2.775  -0.232
  495    HB3  GLN  67           HB3      GLN  67   8.937   1.276  -0.147
  496    HG2  GLN  67           HG2      GLN  67   7.268   0.742  -1.632
  497    HG3  GLN  67           HG3      GLN  67   6.618   0.139  -0.109
  498   HE21  GLN  67          HE21      GLN  67   6.177   2.156  -2.750
  499   HE22  GLN  67          HE22      GLN  67   4.740   2.963  -2.233
  500    H    LEU  68           H        LEU  68   9.211  -0.290   1.036
  501    HA   LEU  68           HA       LEU  68   8.456  -2.074   3.080
  502    HB2  LEU  68           HB2      LEU  68   6.501  -1.972   1.184
  503    HB3  LEU  68           HB3      LEU  68   7.523  -3.239   0.528
  504    HG   LEU  68           HG       LEU  68   5.928  -4.387   1.788
  505   HD11  LEU  68          HD11      LEU  68   8.281  -4.018   3.631
  506   HD12  LEU  68          HD12      LEU  68   8.172  -5.165   2.298
  507   HD13  LEU  68          HD13      LEU  68   7.113  -5.337   3.700
  508   HD21  LEU  68          HD21      LEU  68   6.330  -2.389   4.008
  509   HD22  LEU  68          HD22      LEU  68   5.257  -3.787   4.060
  510   HD23  LEU  68          HD23      LEU  68   4.943  -2.475   2.922
  511    H    GLY  69           H        GLY  69  10.510  -2.846   3.313
  512    HA2  GLY  69           HA2      GLY  69  11.785  -4.782   2.833
  513    HA3  GLY  69           HA3      GLY  69  11.319  -4.640   1.150
  514    H    LEU  70           H        LEU  70  13.679  -5.195   1.140
  515    HA   LEU  70           HA       LEU  70  15.411  -2.833   1.404
  516    HB2  LEU  70           HB2      LEU  70  15.827  -5.044   2.660
  517    HB3  LEU  70           HB3      LEU  70  16.288  -5.693   1.103
  518    HG   LEU  70           HG       LEU  70  18.100  -4.836   2.742
  519   HD11  LEU  70          HD11      LEU  70  18.589  -5.630   0.520
  520   HD12  LEU  70          HD12      LEU  70  19.543  -4.194   0.885
  521   HD13  LEU  70          HD13      LEU  70  18.126  -4.070  -0.158
  522   HD21  LEU  70          HD21      LEU  70  17.416  -2.236   1.404
  523   HD22  LEU  70          HD22      LEU  70  18.706  -2.539   2.566
  524   HD23  LEU  70          HD23      LEU  70  17.022  -2.628   3.079
  525    H    CYS  71           H        CYS  71  16.781  -2.288  -0.333
  526    HA   CYS  71           HA       CYS  71  15.583  -2.937  -2.906
  527    HB2  CYS  71           HB2      CYS  71  17.266  -0.721  -1.850
  528    HB3  CYS  71           HB3      CYS  71  17.304  -1.045  -3.580
  529    HA   PRO  72           HA       PRO  72  18.607  -5.435  -4.977
  530    HB2  PRO  72           HB2      PRO  72  19.315  -2.925  -6.459
  531    HB3  PRO  72           HB3      PRO  72  19.104  -4.573  -7.079
  532    HG2  PRO  72           HG2      PRO  72  17.164  -2.753  -7.319
  533    HG3  PRO  72           HG3      PRO  72  16.796  -4.454  -6.984
  534    HD2  PRO  72           HD2      PRO  72  16.580  -2.102  -5.214
  535    HD3  PRO  72           HD3      PRO  72  15.753  -3.667  -5.117
  536    H    LEU  73           H        LEU  73  19.897  -2.121  -4.404
  537    HA   LEU  73           HA       LEU  73  22.473  -3.218  -3.717
  538    HB2  LEU  73           HB2      LEU  73  21.474  -0.390  -3.395
  539    HB3  LEU  73           HB3      LEU  73  23.127  -0.931  -3.179
  540    HG   LEU  73           HG       LEU  73  21.685  -1.314  -5.757
  541   HD11  LEU  73          HD11      LEU  73  23.401   1.017  -4.959
  542   HD12  LEU  73          HD12      LEU  73  21.672   1.067  -5.303
  543   HD13  LEU  73          HD13      LEU  73  22.818   0.687  -6.590
  544   HD21  LEU  73          HD21      LEU  73  23.696  -2.660  -5.334
  545   HD22  LEU  73          HD22      LEU  73  24.609  -1.171  -5.083
  546   HD23  LEU  73          HD23      LEU  73  23.917  -1.523  -6.664
  547    H    LYS  74           H        LYS  74  23.299  -3.502  -1.807
  548    HA   LYS  74           HA       LYS  74  21.489  -4.579   0.031
  549    HB2  LYS  74           HB2      LYS  74  23.912  -5.242  -0.431
  550    HB3  LYS  74           HB3      LYS  74  24.357  -3.957   0.682
  551    HG2  LYS  74           HG2      LYS  74  24.343  -5.728   2.107
  552    HG3  LYS  74           HG3      LYS  74  22.672  -5.194   2.273
  553    HD2  LYS  74           HD2      LYS  74  23.643  -7.418   0.476
  554    HD3  LYS  74           HD3      LYS  74  22.834  -7.629   2.025
  555    HE2  LYS  74           HE2      LYS  74  20.861  -6.435   1.081
  556    HE3  LYS  74           HE3      LYS  74  21.678  -6.422  -0.481
  557    HZ1  LYS  74           HZ1      LYS  74  21.690  -8.819  -0.417
  558    HZ2  LYS  74           HZ2      LYS  74  20.169  -8.264  -0.307
  559    HZ3  LYS  74           HZ3      LYS  74  20.921  -8.826   1.016
  560    H    ARG  75           H        ARG  75  22.957  -1.436  -0.033
  561    HA   ARG  75           HA       ARG  75  22.291  -0.957   2.777
  562    HB2  ARG  75           HB2      ARG  75  23.796   0.739   0.793
  563    HB3  ARG  75           HB3      ARG  75  23.578   1.106   2.496
  564    HG2  ARG  75           HG2      ARG  75  24.903  -0.742   3.158
  565    HG3  ARG  75           HG3      ARG  75  24.939  -1.380   1.513
  566    HD2  ARG  75           HD2      ARG  75  26.111   1.248   2.382
  567    HD3  ARG  75           HD3      ARG  75  27.027  -0.239   2.146
  568    HE   ARG  75           HE       ARG  75  25.548   0.380  -0.193
  569   HH11  ARG  75          HH11      ARG  75  28.358   1.425   1.625
  570   HH12  ARG  75          HH12      ARG  75  29.198   2.026   0.232
  571   HH21  ARG  75          HH21      ARG  75  26.668   1.173  -2.036
  572   HH22  ARG  75          HH22      ARG  75  28.245   1.872  -1.846
  573    H    TRP  76           H        TRP  76  20.682  -0.763  -0.055
  574    HA   TRP  76           HA       TRP  76  19.649   1.952   0.315
  575    HB2  TRP  76           HB2      TRP  76  19.411  -0.018  -1.952
  576    HB3  TRP  76           HB3      TRP  76  18.582   1.535  -1.926
  577    HD1  TRP  76           HD1      TRP  76  22.272   0.723  -1.058
  578    HE1  TRP  76           HE1      TRP  76  23.775   2.221  -2.494
  579    HE3  TRP  76           HE3      TRP  76  18.673   3.086  -3.774
  580    HZ2  TRP  76           HZ2      TRP  76  23.468   4.154  -4.524
  581    HZ3  TRP  76           HZ3      TRP  76  19.341   4.751  -5.435
  582    HH2  TRP  76           HH2      TRP  76  21.693   5.278  -5.808
  583    H    THR  77           H        THR  77  17.710   2.361   1.087
  584    HA   THR  77           HA       THR  77  15.946   0.129   1.752
  585    HB   THR  77           HB       THR  77  15.631   3.042   2.492
  586    HG1  THR  77           HG1      THR  77  16.603   2.358   4.504
  587   HG21  THR  77          HG21      THR  77  14.496   0.508   3.683
  588   HG22  THR  77          HG22      THR  77  13.603   1.722   2.764
  589   HG23  THR  77          HG23      THR  77  14.278   2.128   4.343
  590    H    CYS  78           H        CYS  78  13.746   0.074   1.130
  591    HA   CYS  78           HA       CYS  78  13.201   1.347  -1.422
  592    HB2  CYS  78           HB2      CYS  78  12.599  -1.054  -0.964
  593    HB3  CYS  78           HB3      CYS  78  11.420  -0.487   0.210
  594    H    CYS  79           H        CYS  79  12.417   3.345  -1.449
  595    HA   CYS  79           HA       CYS  79  11.075   4.339   0.970
  596    HB2  CYS  79           HB2      CYS  79  13.036   5.541   0.564
  597    HB3  CYS  79           HB3      CYS  79  12.715   5.698  -1.157
  598    H    LYS  80           H        LYS  80   9.160   5.361   0.916
  599    HA   LYS  80           HA       LYS  80   7.589   4.999  -1.519
  600    HB2  LYS  80           HB2      LYS  80   6.874   4.307   0.877
  601    HB3  LYS  80           HB3      LYS  80   6.546   6.013   1.116
  602    HG2  LYS  80           HG2      LYS  80   5.327   4.471  -1.147
  603    HG3  LYS  80           HG3      LYS  80   4.603   4.500   0.456
  604    HD2  LYS  80           HD2      LYS  80   5.176   6.922  -1.246
  605    HD3  LYS  80           HD3      LYS  80   3.599   6.145  -1.069
  606    HE2  LYS  80           HE2      LYS  80   3.689   6.593   1.353
  607    HE3  LYS  80           HE3      LYS  80   5.226   7.424   1.125
  608    HZ1  LYS  80           HZ1      LYS  80   4.036   8.950  -0.355
  609    HZ2  LYS  80           HZ2      LYS  80   3.497   9.014   1.178
  610    HZ3  LYS  80           HZ3      LYS  80   2.627   8.238   0.044
  611    H    GLU  81           H        GLU  81   8.143   6.629  -2.865
  612    HA   GLU  81           HA       GLU  81   8.112   8.676  -3.826
  613    HB2  GLU  81           HB2      GLU  81   6.126   9.224  -1.632
  614    HB3  GLU  81           HB3      GLU  81   6.479  10.354  -2.931
  615    HG2  GLU  81           HG2      GLU  81   5.721   8.734  -4.571
  616    HG3  GLU  81           HG3      GLU  81   5.412   7.565  -3.287
  617    H    ILE  82           H        ILE  82  10.087   9.462  -3.640
  618    HA   ILE  82           HA       ILE  82  11.310  10.348  -1.250
  619    HB   ILE  82           HB       ILE  82  12.041  11.074  -4.094
  620   HG12  ILE  82          HG12      ILE  82  13.038   8.802  -2.360
  621   HG13  ILE  82          HG13      ILE  82  11.911   8.629  -3.701
  622   HG21  ILE  82          HG21      ILE  82  13.102  12.518  -2.444
  623   HG22  ILE  82          HG22      ILE  82  14.288  11.438  -3.177
  624   HG23  ILE  82          HG23      ILE  82  13.675  11.106  -1.557
  625   HD11  ILE  82          HD11      ILE  82  13.621   9.401  -5.247
  626   HD12  ILE  82          HD12      ILE  82  14.167   7.995  -4.332
  627   HD13  ILE  82          HD13      ILE  82  14.747   9.605  -3.906
  Start of MODEL    6
    1    H1   LEU   1           H1       LEU   1 -18.663   3.695  -3.910
    2    H2   LEU   1           H2       LEU   1 -18.676   4.922  -2.846
    3    H3   LEU   1           H3       LEU   1 -19.142   3.440  -2.375
    4    HA   LEU   1           HA       LEU   1 -16.971   3.873  -1.533
    5    HB2  LEU   1           HB2      LEU   1 -17.734   1.587  -2.572
    6    HB3  LEU   1           HB3      LEU   1 -16.596   2.005  -3.830
    7    HG   LEU   1           HG       LEU   1 -14.793   2.100  -2.183
    8   HD11  LEU   1          HD11      LEU   1 -16.900   1.107  -0.272
    9   HD12  LEU   1          HD12      LEU   1 -16.065   2.659  -0.196
   10   HD13  LEU   1          HD13      LEU   1 -15.170   1.162   0.059
   11   HD21  LEU   1          HD21      LEU   1 -15.191   0.059  -3.442
   12   HD22  LEU   1          HD22      LEU   1 -16.343  -0.483  -2.223
   13   HD23  LEU   1          HD23      LEU   1 -14.636  -0.315  -1.811
   14    HA   PRO   2           HA       PRO   2 -14.728   6.927  -3.745
   15    HB2  PRO   2           HB2      PRO   2 -12.351   5.640  -2.470
   16    HB3  PRO   2           HB3      PRO   2 -12.841   7.343  -2.495
   17    HG2  PRO   2           HG2      PRO   2 -13.248   5.960  -0.315
   18    HG3  PRO   2           HG3      PRO   2 -14.553   6.995  -0.932
   19    HD2  PRO   2           HD2      PRO   2 -14.230   4.016  -1.212
   20    HD3  PRO   2           HD3      PRO   2 -15.677   4.941  -0.765
   21    H    ARG   3           H        ARG   3 -13.413   7.266  -5.444
   22    HA   ARG   3           HA       ARG   3 -13.609   5.754  -7.605
   23    HB2  ARG   3           HB2      ARG   3 -12.761   8.019  -7.632
   24    HB3  ARG   3           HB3      ARG   3 -11.251   7.493  -6.909
   25    HG2  ARG   3           HG2      ARG   3 -10.870   6.084  -8.943
   26    HG3  ARG   3           HG3      ARG   3 -12.277   6.871  -9.664
   27    HD2  ARG   3           HD2      ARG   3 -11.215   9.034  -9.451
   28    HD3  ARG   3           HD3      ARG   3  -9.843   8.305  -8.624
   29    HE   ARG   3           HE       ARG   3 -10.519   7.607 -11.402
   30   HH11  ARG   3          HH11      ARG   3  -8.199   8.602  -8.969
   31   HH12  ARG   3          HH12      ARG   3  -6.863   8.629 -10.076
   32   HH21  ARG   3          HH21      ARG   3  -8.751   7.618 -12.846
   33   HH22  ARG   3          HH22      ARG   3  -7.178   8.069 -12.276
   34    H    ASP   4           H        ASP   4 -10.769   5.472  -5.453
   35    HA   ASP   4           HA       ASP   4  -9.783   3.362  -7.245
   36    HB2  ASP   4           HB2      ASP   4  -8.288   5.099  -5.284
   37    HB3  ASP   4           HB3      ASP   4  -7.560   3.790  -6.209
   38    H    THR   5           H        THR   5 -11.436   3.529  -4.434
   39    HA   THR   5           HA       THR   5  -9.914   1.906  -2.702
   40    HB   THR   5           HB       THR   5 -12.903   2.323  -2.797
   41    HG1  THR   5           HG1      THR   5 -11.777   3.526  -0.737
   42   HG21  THR   5          HG21      THR   5 -12.876   1.557  -0.456
   43   HG22  THR   5          HG22      THR   5 -11.159   1.180  -0.609
   44   HG23  THR   5          HG23      THR   5 -12.345   0.290  -1.563
   45    H    SER   6           H        SER   6 -12.643   1.058  -4.857
   46    HA   SER   6           HA       SER   6 -12.717  -1.660  -4.212
   47    HB2  SER   6           HB2      SER   6 -14.510  -0.463  -5.394
   48    HB3  SER   6           HB3      SER   6 -13.490  -0.356  -6.824
   49    HG   SER   6           HG       SER   6 -13.765  -2.454  -7.207
   50    H    ARG   7           H        ARG   7 -10.729   0.115  -6.454
   51    HA   ARG   7           HA       ARG   7  -9.608  -2.162  -7.763
   52    HB2  ARG   7           HB2      ARG   7  -9.542  -0.079  -8.940
   53    HB3  ARG   7           HB3      ARG   7  -8.780   0.738  -7.584
   54    HG2  ARG   7           HG2      ARG   7  -7.229  -1.514  -8.577
   55    HG3  ARG   7           HG3      ARG   7  -7.496  -0.265  -9.793
   56    HD2  ARG   7           HD2      ARG   7  -6.429   0.258  -7.021
   57    HD3  ARG   7           HD3      ARG   7  -5.409  -0.011  -8.430
   58    HE   ARG   7           HE       ARG   7  -7.318   2.233  -8.265
   59   HH11  ARG   7          HH11      ARG   7  -4.151   0.946  -9.061
   60   HH12  ARG   7          HH12      ARG   7  -3.526   2.478  -9.579
   61   HH21  ARG   7          HH21      ARG   7  -6.479   4.257  -8.928
   62   HH22  ARG   7          HH22      ARG   7  -4.836   4.349  -9.499
   63    H    CYS   8           H        CYS   8  -8.600  -0.040  -5.131
   64    HA   CYS   8           HA       CYS   8  -5.977  -1.026  -4.943
   65    HB2  CYS   8           HB2      CYS   8  -7.136   1.110  -3.911
   66    HB3  CYS   8           HB3      CYS   8  -7.377   0.025  -2.550
   67    H    VAL   9           H        VAL   9  -8.994  -2.036  -3.457
   68    HA   VAL   9           HA       VAL   9  -8.183  -3.379  -1.223
   69    HB   VAL   9           HB       VAL   9 -10.363  -4.199  -3.145
   70   HG11  VAL   9          HG11      VAL   9 -11.340  -5.427  -1.271
   71   HG12  VAL   9          HG12      VAL   9  -9.934  -5.040  -0.280
   72   HG13  VAL   9          HG13      VAL   9  -9.756  -6.072  -1.700
   73   HG21  VAL   9          HG21      VAL   9 -10.446  -2.579  -0.607
   74   HG22  VAL   9          HG22      VAL   9 -11.836  -3.030  -1.595
   75   HG23  VAL   9          HG23      VAL   9 -10.603  -1.950  -2.247
   76    H    GLY  10           H        GLY  10  -8.398  -4.785  -4.484
   77    HA2  GLY  10           HA2      GLY  10  -7.357  -7.309  -3.565
   78    HA3  GLY  10           HA3      GLY  10  -7.689  -6.865  -5.231
   79    H    TYR  11           H        TYR  11  -5.959  -4.373  -4.750
   80    HA   TYR  11           HA       TYR  11  -3.558  -5.768  -5.651
   81    HB2  TYR  11           HB2      TYR  11  -4.431  -2.899  -5.901
   82    HB3  TYR  11           HB3      TYR  11  -2.879  -3.506  -6.453
   83    HD1  TYR  11           HD1      TYR  11  -5.503  -2.298  -7.887
   84    HD2  TYR  11           HD2      TYR  11  -3.709  -6.138  -7.572
   85    HE1  TYR  11           HE1      TYR  11  -6.552  -2.958 -10.010
   86    HE2  TYR  11           HE2      TYR  11  -4.748  -6.806  -9.689
   87    HH   TYR  11           HH       TYR  11  -6.734  -6.149 -11.063
   88    H    HIS  12           H        HIS  12  -4.334  -2.993  -3.541
   89    HA   HIS  12           HA       HIS  12  -1.700  -3.383  -2.268
   90    HB2  HIS  12           HB2      HIS  12  -3.025  -0.692  -2.372
   91    HB3  HIS  12           HB3      HIS  12  -1.319  -1.080  -2.196
   92    HD1  HIS  12           HD1      HIS  12  -3.469   0.413  -4.516
   93    HD2  HIS  12           HD2      HIS  12  -0.451  -2.426  -4.860
   94    HE1  HIS  12           HE1      HIS  12  -2.779   0.447  -6.934
   95    HE2  HIS  12           HE2      HIS  12  -1.042  -1.365  -7.144
   96    H    GLY  13           H        GLY  13  -4.798  -3.910  -1.742
   97    HA2  GLY  13           HA2      GLY  13  -5.564  -4.603   0.412
   98    HA3  GLY  13           HA3      GLY  13  -4.540  -3.371   1.135
   99    H    TYR  14           H        TYR  14  -6.803  -3.200   2.222
  100    HA   TYR  14           HA       TYR  14  -8.811  -1.876   0.613
  101    HB2  TYR  14           HB2      TYR  14 -10.119  -1.873   2.762
  102    HB3  TYR  14           HB3      TYR  14  -9.647  -3.465   2.180
  103    HD1  TYR  14           HD1      TYR  14  -8.421  -4.920   3.549
  104    HD2  TYR  14           HD2      TYR  14  -8.730  -0.819   4.610
  105    HE1  TYR  14           HE1      TYR  14  -7.412  -5.416   5.735
  106    HE2  TYR  14           HE2      TYR  14  -7.718  -1.299   6.796
  107    HH   TYR  14           HH       TYR  14  -7.432  -3.196   8.310
  108    H    CYS  15           H        CYS  15  -9.962   0.027   1.993
  109    HA   CYS  15           HA       CYS  15  -7.790   1.991   2.308
  110    HB2  CYS  15           HB2      CYS  15 -10.455   2.372   0.940
  111    HB3  CYS  15           HB3      CYS  15  -9.248   3.628   1.187
  112    H    ILE  16           H        ILE  16  -7.858   1.984   4.556
  113    HA   ILE  16           HA       ILE  16 -10.350   2.841   5.820
  114    HB   ILE  16           HB       ILE  16  -9.128   2.634   7.964
  115   HG12  ILE  16          HG12      ILE  16  -6.907   1.654   6.170
  116   HG13  ILE  16          HG13      ILE  16  -6.861   3.019   7.269
  117   HG21  ILE  16          HG21      ILE  16  -9.016   0.155   7.931
  118   HG22  ILE  16          HG22      ILE  16  -9.207   0.216   6.178
  119   HG23  ILE  16          HG23      ILE  16 -10.489   0.819   7.227
  120   HD11  ILE  16          HD11      ILE  16  -5.627   1.116   8.144
  121   HD12  ILE  16          HD12      ILE  16  -7.089   0.133   8.080
  122   HD13  ILE  16          HD13      ILE  16  -7.004   1.515   9.168
  123    H    ARG  17           H        ARG  17  -9.888   4.600   7.621
  124    HA   ARG  17           HA       ARG  17  -9.379   6.930   6.150
  125    HB2  ARG  17           HB2      ARG  17 -10.881   6.995   8.024
  126    HB3  ARG  17           HB3      ARG  17  -9.621   6.482   9.131
  127    HG2  ARG  17           HG2      ARG  17  -8.424   8.593   8.717
  128    HG3  ARG  17           HG3      ARG  17  -9.752   9.112   7.674
  129    HD2  ARG  17           HD2      ARG  17  -9.975  10.054   9.914
  130    HD3  ARG  17           HD3      ARG  17 -11.298   8.945   9.553
  131    HE   ARG  17           HE       ARG  17  -9.290   7.503  10.854
  132   HH11  ARG  17          HH11      ARG  17 -11.534  10.095  11.556
  133   HH12  ARG  17          HH12      ARG  17 -11.679   9.681  13.235
  134   HH21  ARG  17          HH21      ARG  17  -9.478   6.958  13.062
  135   HH22  ARG  17          HH22      ARG  17 -10.515   7.896  14.091
  136    H    SER  18           H        SER  18  -7.295   5.141   8.448
  137    HA   SER  18           HA       SER  18  -5.124   6.948   7.699
  138    HB2  SER  18           HB2      SER  18  -6.270   7.792   9.786
  139    HB3  SER  18           HB3      SER  18  -5.704   6.342  10.589
  140    HG   SER  18           HG       SER  18  -4.274   8.117  10.878
  141    H    LYS  19           H        LYS  19  -3.153   6.235   9.165
  142    HA   LYS  19           HA       LYS  19  -2.416   3.709   8.029
  143    HB2  LYS  19           HB2      LYS  19  -0.868   5.582   9.819
  144    HB3  LYS  19           HB3      LYS  19  -0.196   4.306   8.811
  145    HG2  LYS  19           HG2      LYS  19  -0.427   5.503   6.897
  146    HG3  LYS  19           HG3      LYS  19  -1.848   6.370   7.478
  147    HD2  LYS  19           HD2      LYS  19   0.863   6.822   8.654
  148    HD3  LYS  19           HD3      LYS  19   0.328   7.687   7.213
  149    HE2  LYS  19           HE2      LYS  19  -1.611   8.530   8.463
  150    HE3  LYS  19           HE3      LYS  19  -1.048   7.677   9.898
  151    HZ1  LYS  19           HZ1      LYS  19   0.385   9.839   8.528
  152    HZ2  LYS  19           HZ2      LYS  19   0.929   9.040   9.837
  153    HZ3  LYS  19           HZ3      LYS  19  -0.400   9.970   9.950
  154    H    VAL  20           H        VAL  20  -4.239   4.135  10.499
  155    HA   VAL  20           HA       VAL  20  -3.013   2.698  12.641
  156    HB   VAL  20           HB       VAL  20  -5.985   2.716  12.211
  157   HG11  VAL  20          HG11      VAL  20  -5.114   1.477  14.119
  158   HG12  VAL  20          HG12      VAL  20  -6.034   2.886  14.649
  159   HG13  VAL  20          HG13      VAL  20  -4.271   2.921  14.684
  160   HG21  VAL  20          HG21      VAL  20  -4.329   5.033  13.193
  161   HG22  VAL  20          HG22      VAL  20  -6.086   4.923  13.292
  162   HG23  VAL  20          HG23      VAL  20  -5.293   4.975  11.719
  163    H    CYS  21           H        CYS  21  -2.634   1.350  10.150
  164    HA   CYS  21           HA       CYS  21  -4.378  -0.759   9.628
  165    HB2  CYS  21           HB2      CYS  21  -1.379  -0.757   9.284
  166    HB3  CYS  21           HB3      CYS  21  -2.551  -1.702   8.371
  167    HA   PRO  22           HA       PRO  22  -3.597  -3.553  13.067
  168    HB2  PRO  22           HB2      PRO  22  -4.847  -5.707  11.974
  169    HB3  PRO  22           HB3      PRO  22  -5.726  -4.365  12.714
  170    HG2  PRO  22           HG2      PRO  22  -5.190  -4.913   9.823
  171    HG3  PRO  22           HG3      PRO  22  -6.680  -4.345  10.599
  172    HD2  PRO  22           HD2      PRO  22  -4.981  -2.680   9.306
  173    HD3  PRO  22           HD3      PRO  22  -5.945  -2.166  10.704
  174    H    LYS  23           H        LYS  23  -2.921  -6.113  12.955
  175    HA   LYS  23           HA       LYS  23  -0.677  -6.177  11.068
  176    HB2  LYS  23           HB2      LYS  23   0.421  -6.061  13.074
  177    HB3  LYS  23           HB3      LYS  23  -0.894  -6.810  13.961
  178    HG2  LYS  23           HG2      LYS  23   0.716  -8.472  12.086
  179    HG3  LYS  23           HG3      LYS  23   1.385  -8.039  13.661
  180    HD2  LYS  23           HD2      LYS  23  -0.426  -9.072  14.806
  181    HD3  LYS  23           HD3      LYS  23  -1.336  -9.274  13.308
  182    HE2  LYS  23           HE2      LYS  23   0.374 -10.839  12.499
  183    HE3  LYS  23           HE3      LYS  23   1.267 -10.637  14.005
  184    HZ1  LYS  23           HZ1      LYS  23  -1.438 -11.746  13.773
  185    HZ2  LYS  23           HZ2      LYS  23  -0.616 -11.565  15.161
  186    HZ3  LYS  23           HZ3      LYS  23  -0.084 -12.609  14.036
  187    HA   PRO  24           HA       PRO  24   0.617  -7.268  10.207
  188    HB2  PRO  24           HB2      PRO  24   1.350  -8.733   8.107
  189    HB3  PRO  24           HB3      PRO  24   1.575  -9.329   9.756
  190    HG2  PRO  24           HG2      PRO  24  -0.494 -10.066   7.745
  191    HG3  PRO  24           HG3      PRO  24   0.330 -11.083   8.937
  192    HD2  PRO  24           HD2      PRO  24  -2.222  -9.958   9.209
  193    HD3  PRO  24           HD3      PRO  24  -1.244 -10.659  10.511
  194    H    PHE  25           H        PHE  25  -0.280  -5.354   9.467
  195    HA   PHE  25           HA       PHE  25  -0.913  -5.296   6.612
  196    HB2  PHE  25           HB2      PHE  25  -2.625  -4.126   8.809
  197    HB3  PHE  25           HB3      PHE  25  -2.712  -3.552   7.149
  198    HD1  PHE  25           HD1      PHE  25  -3.069  -6.598   9.245
  199    HD2  PHE  25           HD2      PHE  25  -4.066  -4.627   5.608
  200    HE1  PHE  25           HE1      PHE  25  -4.677  -8.382   8.720
  201    HE2  PHE  25           HE2      PHE  25  -5.666  -6.414   5.077
  202    HZ   PHE  25           HZ       PHE  25  -5.965  -8.288   6.629
  203    H    ALA  26           H        ALA  26  -0.154  -3.506   5.563
  204    HA   ALA  26           HA       ALA  26   1.310  -1.587   7.256
  205    HB1  ALA  26           HB1      ALA  26   3.043  -1.446   5.636
  206    HB2  ALA  26           HB2      ALA  26   2.117  -2.390   4.472
  207    HB3  ALA  26           HB3      ALA  26   2.750  -3.163   5.926
  208    H    ALA  27           H        ALA  27   0.942   0.499   6.964
  209    HA   ALA  27           HA       ALA  27  -1.047   1.553   5.313
  210    HB1  ALA  27           HB1      ALA  27  -0.298   2.701   7.299
  211    HB2  ALA  27           HB2      ALA  27  -0.027   3.737   5.896
  212    HB3  ALA  27           HB3      ALA  27   1.323   2.873   6.630
  213    H    PHE  28           H        PHE  28  -0.856   1.078   3.173
  214    HA   PHE  28           HA       PHE  28   1.692   1.611   1.849
  215    HB2  PHE  28           HB2      PHE  28  -0.334  -0.379   1.558
  216    HB3  PHE  28           HB3      PHE  28  -0.241   0.519   0.058
  217    HD1  PHE  28           HD1      PHE  28   2.512   1.131  -0.320
  218    HD2  PHE  28           HD2      PHE  28   0.752  -2.365   1.341
  219    HE1  PHE  28           HE1      PHE  28   4.494  -0.169  -0.953
  220    HE2  PHE  28           HE2      PHE  28   2.729  -3.674   0.706
  221    HZ   PHE  28           HZ       PHE  28   4.608  -2.573  -0.446
  222    H    GLY  29           H        GLY  29   1.586   3.822   1.864
  223    HA2  GLY  29           HA2      GLY  29   1.060   5.919   1.107
  224    HA3  GLY  29           HA3      GLY  29   0.706   5.095  -0.400
  225    H    THR  30           H        THR  30  -1.033   6.107  -1.090
  226    HA   THR  30           HA       THR  30  -3.466   5.872   0.520
  227    HB   THR  30           HB       THR  30  -4.191   8.121  -0.200
  228    HG1  THR  30           HG1      THR  30  -2.430   7.977  -2.007
  229   HG21  THR  30          HG21      THR  30  -2.624   9.458   1.197
  230   HG22  THR  30          HG22      THR  30  -1.542   8.065   1.253
  231   HG23  THR  30          HG23      THR  30  -3.150   7.966   1.976
  232    H    CYS  31           H        CYS  31  -5.219   5.261  -0.682
  233    HA   CYS  31           HA       CYS  31  -4.620   4.399  -3.382
  234    HB2  CYS  31           HB2      CYS  31  -6.862   3.268  -3.191
  235    HB3  CYS  31           HB3      CYS  31  -5.640   2.742  -2.040
  236    H    SER  32           H        SER  32  -7.533   5.892  -1.995
  237    HA   SER  32           HA       SER  32  -8.039   7.034  -4.632
  238    HB2  SER  32           HB2      SER  32 -10.325   7.474  -3.419
  239    HB3  SER  32           HB3      SER  32  -9.896   5.840  -3.938
  240    HG   SER  32           HG       SER  32 -10.102   5.293  -1.931
  241    H    TRP  33           H        TRP  33  -8.957   8.189  -1.421
  242    HA   TRP  33           HA       TRP  33  -7.908  10.831  -2.097
  243    HB2  TRP  33           HB2      TRP  33  -9.213  10.236   0.532
  244    HB3  TRP  33           HB3      TRP  33  -9.272  11.704  -0.433
  245    HD1  TRP  33           HD1      TRP  33 -11.595   9.394   0.763
  246    HE1  TRP  33           HE1      TRP  33 -13.575   8.971  -0.804
  247    HE3  TRP  33           HE3      TRP  33  -9.629  11.281  -3.569
  248    HZ2  TRP  33           HZ2      TRP  33 -14.222   9.354  -3.496
  249    HZ3  TRP  33           HZ3      TRP  33 -11.015  11.208  -5.604
  250    HH2  TRP  33           HH2      TRP  33 -13.256  10.273  -5.567
  251    H    ARG  34           H        ARG  34  -6.249  11.802  -0.866
  252    HA   ARG  34           HA       ARG  34  -4.334  10.117   0.354
  253    HB2  ARG  34           HB2      ARG  34  -3.786  12.321  -0.615
  254    HB3  ARG  34           HB3      ARG  34  -4.722  13.107   0.644
  255    HG2  ARG  34           HG2      ARG  34  -2.440  11.334   1.365
  256    HG3  ARG  34           HG3      ARG  34  -2.147  12.977   0.829
  257    HD2  ARG  34           HD2      ARG  34  -3.742  12.072   3.215
  258    HD3  ARG  34           HD3      ARG  34  -2.228  12.973   3.221
  259    HE   ARG  34           HE       ARG  34  -3.899  14.602   1.860
  260   HH11  ARG  34          HH11      ARG  34  -4.068  13.020   4.975
  261   HH12  ARG  34          HH12      ARG  34  -5.145  14.197   5.659
  262   HH21  ARG  34          HH21      ARG  34  -5.311  16.156   2.748
  263   HH22  ARG  34          HH22      ARG  34  -5.851  15.989   4.389
  264    H    GLN  35           H        GLN  35  -7.072  11.835   1.435
  265    HA   GLN  35           HA       GLN  35  -6.863  11.939   4.167
  266    HB2  GLN  35           HB2      GLN  35  -9.356  11.134   2.671
  267    HB3  GLN  35           HB3      GLN  35  -9.269  11.913   4.242
  268    HG2  GLN  35           HG2      GLN  35  -8.169  13.849   3.104
  269    HG3  GLN  35           HG3      GLN  35  -8.559  13.077   1.573
  270   HE21  GLN  35          HE21      GLN  35 -11.089  12.011   2.631
  271   HE22  GLN  35          HE22      GLN  35 -12.175  13.355   2.676
  272    H    LYS  36           H        LYS  36  -7.160   9.132   2.195
  273    HA   LYS  36           HA       LYS  36  -7.353   7.488   4.628
  274    HB2  LYS  36           HB2      LYS  36  -8.488   5.757   3.139
  275    HB3  LYS  36           HB3      LYS  36  -9.443   7.129   3.672
  276    HG2  LYS  36           HG2      LYS  36  -8.540   8.073   1.319
  277    HG3  LYS  36           HG3      LYS  36  -8.578   6.345   0.969
  278    HD2  LYS  36           HD2      LYS  36 -10.886   7.919   2.101
  279    HD3  LYS  36           HD3      LYS  36 -10.680   7.534   0.395
  280    HE2  LYS  36           HE2      LYS  36 -12.200   5.972   1.289
  281    HE3  LYS  36           HE3      LYS  36 -10.694   5.108   1.037
  282    HZ1  LYS  36           HZ1      LYS  36 -11.635   4.539   3.138
  283    HZ2  LYS  36           HZ2      LYS  36 -11.749   6.092   3.596
  284    HZ3  LYS  36           HZ3      LYS  36 -10.288   5.406   3.422
  285    H    THR  37           H        THR  37  -6.308   5.503   4.618
  286    HA   THR  37           HA       THR  37  -3.907   5.479   2.923
  287    HB   THR  37           HB       THR  37  -4.422   4.073   5.559
  288    HG1  THR  37           HG1      THR  37  -3.775   6.670   4.977
  289   HG21  THR  37          HG21      THR  37  -1.828   4.626   4.108
  290   HG22  THR  37          HG22      THR  37  -2.645   3.064   4.171
  291   HG23  THR  37          HG23      THR  37  -2.009   3.786   5.649
  292    H    CYS  38           H        CYS  38  -3.210   3.503   1.943
  293    HA   CYS  38           HA       CYS  38  -5.359   1.537   1.596
  294    HB2  CYS  38           HB2      CYS  38  -4.137   2.604  -0.378
  295    HB3  CYS  38           HB3      CYS  38  -2.731   1.672   0.112
  296    H    CYS  39           H        CYS  39  -5.291  -0.222   2.883
  297    HA   CYS  39           HA       CYS  39  -2.671  -0.973   4.007
  298    HB2  CYS  39           HB2      CYS  39  -5.404  -1.116   5.280
  299    HB3  CYS  39           HB3      CYS  39  -3.935  -1.770   5.997
  300    H    VAL  40           H        VAL  40  -1.966  -2.784   3.129
  301    HA   VAL  40           HA       VAL  40  -3.927  -4.855   2.406
  302    HB   VAL  40           HB       VAL  40  -2.367  -3.979   0.629
  303   HG11  VAL  40          HG11      VAL  40  -0.087  -4.735   0.569
  304   HG12  VAL  40          HG12      VAL  40  -0.287  -5.569   2.110
  305   HG13  VAL  40          HG13      VAL  40  -0.369  -3.810   2.044
  306   HG21  VAL  40          HG21      VAL  40  -3.535  -6.072   0.333
  307   HG22  VAL  40          HG22      VAL  40  -2.297  -6.928   1.253
  308   HG23  VAL  40          HG23      VAL  40  -1.899  -6.211  -0.313
  309    H    ASP  41           H        ASP  41  -3.588  -6.997   2.971
  310    HA   ASP  41           HA       ASP  41  -2.394  -7.542   5.477
  311    HB2  ASP  41           HB2      ASP  41  -4.245  -8.869   4.737
  312    HB3  ASP  41           HB3      ASP  41  -3.410  -9.303   3.257
  313    H    THR  42           H        THR  42  -0.304  -6.973   5.470
  314    HA   THR  42           HA       THR  42   1.429  -7.667   3.272
  315    HB   THR  42           HB       THR  42   3.137  -6.434   4.769
  316    HG1  THR  42           HG1      THR  42   1.722  -6.671   6.668
  317   HG21  THR  42          HG21      THR  42   1.984  -5.446   2.792
  318   HG22  THR  42          HG22      THR  42   2.359  -4.273   4.048
  319   HG23  THR  42          HG23      THR  42   0.711  -4.871   3.870
  320    H    THR  43           H        THR  43   1.391  -9.993   3.555
  321    HA   THR  43           HA       THR  43   3.234 -10.826   5.689
  322    HB   THR  43           HB       THR  43   1.420 -12.161   6.096
  323    HG1  THR  43           HG1      THR  43   2.734 -13.804   5.866
  324   HG21  THR  43          HG21      THR  43   0.876 -12.096   3.141
  325   HG22  THR  43          HG22      THR  43  -0.116 -11.483   4.459
  326   HG23  THR  43          HG23      THR  43   0.056 -13.220   4.219
  327    H    SER  44           H        SER  44   2.432 -12.415   2.604
  328    HA   SER  44           HA       SER  44   5.211 -12.205   1.766
  329    HB2  SER  44           HB2      SER  44   3.925 -14.382   1.634
  330    HB3  SER  44           HB3      SER  44   2.955 -13.633   0.370
  331    HG   SER  44           HG       SER  44   5.750 -14.124   0.348
  332    H    ASP  45           H        ASP  45   1.951 -11.329   0.795
  333    HA   ASP  45           HA       ASP  45   2.469 -10.302  -1.756
  334    HB2  ASP  45           HB2      ASP  45   0.273  -9.398   0.112
  335    HB3  ASP  45           HB3      ASP  45   0.262  -9.348  -1.646
  336    H    PHE  46           H        PHE  46   3.255  -9.055   1.246
  337    HA   PHE  46           HA       PHE  46   2.688  -6.362   1.108
  338    HB2  PHE  46           HB2      PHE  46   4.112  -6.092   2.939
  339    HB3  PHE  46           HB3      PHE  46   3.438  -7.710   3.059
  340    HD1  PHE  46           HD1      PHE  46   6.404  -5.846   3.115
  341    HD2  PHE  46           HD2      PHE  46   4.757  -9.573   2.040
  342    HE1  PHE  46           HE1      PHE  46   8.650  -6.851   3.248
  343    HE2  PHE  46           HE2      PHE  46   6.965 -10.626   2.165
  344    HZ   PHE  46           HZ       PHE  46   8.943  -9.259   2.769
  345    H    HIS  47           H        HIS  47   5.022  -8.077  -0.612
  346    HA   HIS  47           HA       HIS  47   7.027  -6.166  -0.976
  347    HB2  HIS  47           HB2      HIS  47   6.092  -8.460  -2.647
  348    HB3  HIS  47           HB3      HIS  47   7.371  -7.396  -3.221
  349    HD1  HIS  47           HD1      HIS  47   9.444  -7.157  -1.410
  350    HD2  HIS  47           HD2      HIS  47   7.003 -10.514  -1.140
  351    HE1  HIS  47           HE1      HIS  47  10.708  -8.800   0.009
  352    HE2  HIS  47           HE2      HIS  47   9.261 -10.864   0.074
  353    H    THR  48           H        THR  48   3.895  -5.735  -1.733
  354    HA   THR  48           HA       THR  48   3.535  -4.810  -4.277
  355    HB   THR  48           HB       THR  48   2.379  -3.551  -1.819
  356    HG1  THR  48           HG1      THR  48   2.296  -6.121  -2.586
  357   HG21  THR  48          HG21      THR  48   1.234  -3.991  -4.574
  358   HG22  THR  48          HG22      THR  48   1.715  -2.444  -3.873
  359   HG23  THR  48          HG23      THR  48   0.349  -3.333  -3.197
  360    H    CYS  49           H        CYS  49   5.812  -3.432  -2.284
  361    HA   CYS  49           HA       CYS  49   5.620  -0.728  -2.329
  362    HB2  CYS  49           HB2      CYS  49   7.512  -2.120  -1.412
  363    HB3  CYS  49           HB3      CYS  49   8.165  -2.178  -3.047
  364    H    GLN  50           H        GLN  50   7.211  -2.536  -5.006
  365    HA   GLN  50           HA       GLN  50   7.564  -0.237  -6.586
  366    HB2  GLN  50           HB2      GLN  50   8.183  -1.745  -8.390
  367    HB3  GLN  50           HB3      GLN  50   8.963  -2.197  -6.891
  368    HG2  GLN  50           HG2      GLN  50   6.542  -3.557  -8.064
  369    HG3  GLN  50           HG3      GLN  50   8.203  -4.125  -8.215
  370   HE21  GLN  50          HE21      GLN  50   5.423  -3.958  -6.240
  371   HE22  GLN  50          HE22      GLN  50   6.066  -4.799  -4.855
  372    H    ASP  51           H        ASP  51   4.770  -2.159  -6.097
  373    HA   ASP  51           HA       ASP  51   3.447  -1.494  -8.550
  374    HB2  ASP  51           HB2      ASP  51   2.395  -2.404  -5.865
  375    HB3  ASP  51           HB3      ASP  51   1.355  -2.095  -7.247
  376    H    LYS  52           H        LYS  52   3.797  -0.095  -5.396
  377    HA   LYS  52           HA       LYS  52   1.884   2.026  -5.829
  378    HB2  LYS  52           HB2      LYS  52   3.874   1.422  -3.656
  379    HB3  LYS  52           HB3      LYS  52   2.857   2.853  -3.642
  380    HG2  LYS  52           HG2      LYS  52   1.736   0.083  -3.829
  381    HG3  LYS  52           HG3      LYS  52   2.098   0.859  -2.291
  382    HD2  LYS  52           HD2      LYS  52   0.204   1.890  -4.408
  383    HD3  LYS  52           HD3      LYS  52  -0.262   1.126  -2.890
  384    HE2  LYS  52           HE2      LYS  52  -0.469   3.320  -2.288
  385    HE3  LYS  52           HE3      LYS  52   1.222   3.063  -1.867
  386    HZ1  LYS  52           HZ1      LYS  52   0.223   4.317  -4.328
  387    HZ2  LYS  52           HZ2      LYS  52   1.788   4.019  -4.027
  388    HZ3  LYS  52           HZ3      LYS  52   0.979   5.072  -3.101
  389    H    GLY  53           H        GLY  53   5.091   1.427  -6.646
  390    HA2  GLY  53           HA2      GLY  53   6.325   2.978  -8.017
  391    HA3  GLY  53           HA3      GLY  53   5.569   4.296  -7.127
  392    H    GLY  54           H        GLY  54   6.798   1.460  -5.542
  393    HA2  GLY  54           HA2      GLY  54   8.343   2.816  -3.677
  394    HA3  GLY  54           HA3      GLY  54   8.533   1.116  -4.088
  395    H    HIS  55           H        HIS  55  10.187   3.823  -3.754
  396    HA   HIS  55           HA       HIS  55  11.818   3.589  -6.178
  397    HB2  HIS  55           HB2      HIS  55  11.760   5.675  -3.994
  398    HB3  HIS  55           HB3      HIS  55  12.886   5.695  -5.344
  399    HD1  HIS  55           HD1      HIS  55  11.883   6.224  -7.711
  400    HD2  HIS  55           HD2      HIS  55   9.208   6.552  -4.548
  401    HE1  HIS  55           HE1      HIS  55   9.910   7.499  -8.619
  402    HE2  HIS  55           HE2      HIS  55   8.251   7.586  -6.715
  403    H    CYS  56           H        CYS  56  14.223   3.952  -5.789
  404    HA   CYS  56           HA       CYS  56  15.106   2.414  -3.451
  405    HB2  CYS  56           HB2      CYS  56  15.942   2.075  -6.333
  406    HB3  CYS  56           HB3      CYS  56  16.872   1.427  -4.984
  407    H    VAL  57           H        VAL  57  16.383   3.617  -2.254
  408    HA   VAL  57           HA       VAL  57  18.139   5.549  -3.604
  409    HB   VAL  57           HB       VAL  57  17.750   7.185  -1.878
  410   HG11  VAL  57          HG11      VAL  57  15.145   6.149  -2.954
  411   HG12  VAL  57          HG12      VAL  57  16.270   7.217  -3.793
  412   HG13  VAL  57          HG13      VAL  57  15.437   7.777  -2.342
  413   HG21  VAL  57          HG21      VAL  57  15.853   5.192  -0.652
  414   HG22  VAL  57          HG22      VAL  57  16.029   6.871  -0.145
  415   HG23  VAL  57          HG23      VAL  57  17.380   5.753   0.031
  416    H    SER  58           H        SER  58  20.136   5.791  -2.794
  417    HA   SER  58           HA       SER  58  21.208   3.654  -1.243
  418    HB2  SER  58           HB2      SER  58  23.327   4.608  -1.788
  419    HB3  SER  58           HB3      SER  58  22.312   4.939  -3.184
  420    HG   SER  58           HG       SER  58  23.167   6.871  -2.778
  421    HA   PRO  59           HA       PRO  59  21.233   5.486   2.813
  422    HB2  PRO  59           HB2      PRO  59  23.810   5.081   3.657
  423    HB3  PRO  59           HB3      PRO  59  22.566   3.828   3.638
  424    HG2  PRO  59           HG2      PRO  59  24.751   4.359   1.669
  425    HG3  PRO  59           HG3      PRO  59  24.154   2.809   2.291
  426    HD2  PRO  59           HD2      PRO  59  23.467   3.745  -0.138
  427    HD3  PRO  59           HD3      PRO  59  22.351   2.785   0.847
  428    H    LYS  60           H        LYS  60  22.991   6.781   0.285
  429    HA   LYS  60           HA       LYS  60  23.947   9.080   1.841
  430    HB2  LYS  60           HB2      LYS  60  24.416   8.380  -1.064
  431    HB3  LYS  60           HB3      LYS  60  25.143   9.726  -0.203
  432    HG2  LYS  60           HG2      LYS  60  25.579   6.819   0.446
  433    HG3  LYS  60           HG3      LYS  60  26.673   7.828  -0.498
  434    HD2  LYS  60           HD2      LYS  60  26.868   9.340   1.475
  435    HD3  LYS  60           HD3      LYS  60  25.921   8.172   2.400
  436    HE2  LYS  60           HE2      LYS  60  27.615   6.454   1.938
  437    HE3  LYS  60           HE3      LYS  60  28.566   7.642   1.047
  438    HZ1  LYS  60           HZ1      LYS  60  28.745   8.900   3.094
  439    HZ2  LYS  60           HZ2      LYS  60  29.373   7.412   3.269
  440    HZ3  LYS  60           HZ3      LYS  60  27.917   7.755   3.905
  441    H    ILE  61           H        ILE  61  21.331   8.070  -0.042
  442    HA   ILE  61           HA       ILE  61  20.748  10.615  -1.280
  443    HB   ILE  61           HB       ILE  61  19.061   8.121  -1.042
  444   HG12  ILE  61          HG12      ILE  61  21.186   7.891  -2.322
  445   HG13  ILE  61          HG13      ILE  61  19.741   7.595  -3.280
  446   HG21  ILE  61          HG21      ILE  61  17.699   9.076  -2.838
  447   HG22  ILE  61          HG22      ILE  61  18.669  10.546  -2.788
  448   HG23  ILE  61          HG23      ILE  61  17.684  10.096  -1.398
  449   HD11  ILE  61          HD11      ILE  61  21.421  10.087  -3.290
  450   HD12  ILE  61          HD12      ILE  61  19.941   9.849  -4.217
  451   HD13  ILE  61          HD13      ILE  61  21.354   8.848  -4.544
  452    H    ARG  62           H        ARG  62  19.320  12.110  -0.608
  453    HA   ARG  62           HA       ARG  62  18.234  11.748   2.083
  454    HB2  ARG  62           HB2      ARG  62  18.646  14.218   0.398
  455    HB3  ARG  62           HB3      ARG  62  17.726  14.237   1.896
  456    HG2  ARG  62           HG2      ARG  62  19.865  14.961   2.490
  457    HG3  ARG  62           HG3      ARG  62  19.797  13.274   3.000
  458    HD2  ARG  62           HD2      ARG  62  21.923  13.726   1.939
  459    HD3  ARG  62           HD3      ARG  62  20.975  12.624   0.940
  460    HE   ARG  62           HE       ARG  62  20.630  15.368   0.197
  461   HH11  ARG  62          HH11      ARG  62  22.687  12.556  -0.204
  462   HH12  ARG  62          HH12      ARG  62  23.351  13.115  -1.709
  463   HH21  ARG  62          HH21      ARG  62  21.507  16.085  -1.783
  464   HH22  ARG  62          HH22      ARG  62  22.687  15.110  -2.602
  465    H    CYS  63           H        CYS  63  16.546  10.444   1.650
  466    HA   CYS  63           HA       CYS  63  14.266  11.674   0.267
  467    HB2  CYS  63           HB2      CYS  63  15.319  10.002  -1.233
  468    HB3  CYS  63           HB3      CYS  63  15.118   8.783   0.017
  469    H    LEU  64           H        LEU  64  12.208  11.040   1.104
  470    HA   LEU  64           HA       LEU  64  12.237  10.166   3.837
  471    HB2  LEU  64           HB2      LEU  64   9.993  10.606   1.886
  472    HB3  LEU  64           HB3      LEU  64   9.757  10.174   3.570
  473    HG   LEU  64           HG       LEU  64  10.948  12.724   2.490
  474   HD11  LEU  64          HD11      LEU  64   9.069  13.740   3.657
  475   HD12  LEU  64          HD12      LEU  64   8.512  12.140   4.141
  476   HD13  LEU  64          HD13      LEU  64   8.531  12.588   2.437
  477   HD21  LEU  64          HD21      LEU  64  10.731  11.791   5.352
  478   HD22  LEU  64          HD22      LEU  64  11.169  13.419   4.839
  479   HD23  LEU  64          HD23      LEU  64  12.222  12.061   4.451
  480    H    GLU  65           H        GLU  65  13.264   8.205   3.704
  481    HA   GLU  65           HA       GLU  65  12.411   6.217   1.816
  482    HB2  GLU  65           HB2      GLU  65  14.239   4.863   2.677
  483    HB3  GLU  65           HB3      GLU  65  14.785   6.495   2.326
  484    HG2  GLU  65           HG2      GLU  65  13.993   5.682   5.098
  485    HG3  GLU  65           HG3      GLU  65  15.605   5.359   4.470
  486    H    GLU  66           H        GLU  66  12.224   3.938   2.548
  487    HA   GLU  66           HA       GLU  66  11.472   2.241   3.839
  488    HB2  GLU  66           HB2      GLU  66  10.676   4.325   5.870
  489    HB3  GLU  66           HB3      GLU  66  10.521   2.586   6.087
  490    HG2  GLU  66           HG2      GLU  66  13.113   2.741   5.417
  491    HG3  GLU  66           HG3      GLU  66  12.900   4.309   6.189
  492    H    GLN  67           H        GLN  67  10.160   2.259   1.923
  493    HA   GLN  67           HA       GLN  67   7.339   2.792   2.489
  494    HB2  GLN  67           HB2      GLN  67   8.249   3.426   0.272
  495    HB3  GLN  67           HB3      GLN  67   8.632   1.736  -0.030
  496    HG2  GLN  67           HG2      GLN  67   6.306   1.148  -0.002
  497    HG3  GLN  67           HG3      GLN  67   5.859   2.779   0.492
  498   HE21  GLN  67          HE21      GLN  67   5.072   1.221  -1.856
  499   HE22  GLN  67          HE22      GLN  67   5.521   2.176  -3.224
  500    H    LEU  68           H        LEU  68   9.039   0.069   0.927
  501    HA   LEU  68           HA       LEU  68   8.619  -1.749   3.018
  502    HB2  LEU  68           HB2      LEU  68   6.236  -1.389   2.068
  503    HB3  LEU  68           HB3      LEU  68   6.794  -2.352   0.706
  504    HG   LEU  68           HG       LEU  68   6.951  -4.296   1.960
  505   HD11  LEU  68          HD11      LEU  68   6.910  -4.306   4.460
  506   HD12  LEU  68          HD12      LEU  68   7.025  -2.548   4.425
  507   HD13  LEU  68          HD13      LEU  68   8.336  -3.532   3.774
  508   HD21  LEU  68          HD21      LEU  68   4.884  -4.374   3.393
  509   HD22  LEU  68          HD22      LEU  68   4.645  -3.801   1.744
  510   HD23  LEU  68          HD23      LEU  68   4.692  -2.649   3.081
  511    H    GLY  69           H        GLY  69  10.006  -3.399   2.764
  512    HA2  GLY  69           HA2      GLY  69  10.889  -5.244   1.583
  513    HA3  GLY  69           HA3      GLY  69  10.478  -4.443   0.075
  514    H    LEU  70           H        LEU  70  12.894  -5.651   0.399
  515    HA   LEU  70           HA       LEU  70  14.796  -3.473   0.861
  516    HB2  LEU  70           HB2      LEU  70  15.266  -5.573   2.023
  517    HB3  LEU  70           HB3      LEU  70  15.241  -6.439   0.499
  518    HG   LEU  70           HG       LEU  70  17.236  -5.217  -0.242
  519   HD11  LEU  70          HD11      LEU  70  18.491  -3.845   1.371
  520   HD12  LEU  70          HD12      LEU  70  17.140  -3.964   2.499
  521   HD13  LEU  70          HD13      LEU  70  16.930  -3.139   0.955
  522   HD21  LEU  70          HD21      LEU  70  18.829  -6.254   1.306
  523   HD22  LEU  70          HD22      LEU  70  17.508  -7.344   0.887
  524   HD23  LEU  70          HD23      LEU  70  17.519  -6.535   2.453
  525    H    CYS  71           H        CYS  71  15.705  -2.479  -0.764
  526    HA   CYS  71           HA       CYS  71  14.983  -3.001  -3.448
  527    HB2  CYS  71           HB2      CYS  71  16.804  -1.074  -2.067
  528    HB3  CYS  71           HB3      CYS  71  16.874  -1.226  -3.820
  529    HA   PRO  72           HA       PRO  72  17.960  -5.621  -5.428
  530    HB2  PRO  72           HB2      PRO  72  19.382  -3.476  -6.748
  531    HB3  PRO  72           HB3      PRO  72  18.282  -4.670  -7.448
  532    HG2  PRO  72           HG2      PRO  72  17.749  -1.900  -6.606
  533    HG3  PRO  72           HG3      PRO  72  16.851  -2.927  -7.735
  534    HD2  PRO  72           HD2      PRO  72  15.870  -2.286  -5.318
  535    HD3  PRO  72           HD3      PRO  72  15.580  -3.881  -6.048
  536    H    LEU  73           H        LEU  73  19.534  -2.520  -4.541
  537    HA   LEU  73           HA       LEU  73  21.900  -3.904  -3.669
  538    HB2  LEU  73           HB2      LEU  73  21.110  -1.022  -3.276
  539    HB3  LEU  73           HB3      LEU  73  22.650  -1.707  -2.826
  540    HG   LEU  73           HG       LEU  73  23.152  -0.663  -4.773
  541   HD11  LEU  73          HD11      LEU  73  23.590  -2.313  -6.445
  542   HD12  LEU  73          HD12      LEU  73  22.356  -3.377  -5.772
  543   HD13  LEU  73          HD13      LEU  73  23.813  -3.021  -4.845
  544   HD21  LEU  73          HD21      LEU  73  21.019   0.113  -5.454
  545   HD22  LEU  73          HD22      LEU  73  20.484  -1.522  -5.855
  546   HD23  LEU  73          HD23      LEU  73  21.732  -0.739  -6.824
  547    H    LYS  74           H        LYS  74  22.606  -4.142  -1.592
  548    HA   LYS  74           HA       LYS  74  20.402  -4.777   0.174
  549    HB2  LYS  74           HB2      LYS  74  23.368  -5.230   0.546
  550    HB3  LYS  74           HB3      LYS  74  22.087  -5.923   1.533
  551    HG2  LYS  74           HG2      LYS  74  22.509  -6.446  -1.404
  552    HG3  LYS  74           HG3      LYS  74  22.967  -7.526  -0.086
  553    HD2  LYS  74           HD2      LYS  74  20.649  -7.784   0.559
  554    HD3  LYS  74           HD3      LYS  74  20.151  -6.605  -0.656
  555    HE2  LYS  74           HE2      LYS  74  20.919  -8.068  -2.427
  556    HE3  LYS  74           HE3      LYS  74  21.506  -9.231  -1.242
  557    HZ1  LYS  74           HZ1      LYS  74  19.362  -9.835  -2.136
  558    HZ2  LYS  74           HZ2      LYS  74  18.701  -8.457  -1.590
  559    HZ3  LYS  74           HZ3      LYS  74  19.254  -9.561  -0.537
  560    H    ARG  75           H        ARG  75  22.593  -2.232  -0.194
  561    HA   ARG  75           HA       ARG  75  22.373  -1.368   2.587
  562    HB2  ARG  75           HB2      ARG  75  23.957  -0.342   0.240
  563    HB3  ARG  75           HB3      ARG  75  23.904   0.475   1.798
  564    HG2  ARG  75           HG2      ARG  75  24.944  -1.354   2.888
  565    HG3  ARG  75           HG3      ARG  75  24.764  -2.383   1.466
  566    HD2  ARG  75           HD2      ARG  75  26.399   0.139   1.532
  567    HD3  ARG  75           HD3      ARG  75  27.059  -1.472   1.811
  568    HE   ARG  75           HE       ARG  75  25.601  -1.224  -0.670
  569   HH11  ARG  75          HH11      ARG  75  28.707  -0.821   0.904
  570   HH12  ARG  75          HH12      ARG  75  29.620  -0.993  -0.559
  571   HH21  ARG  75          HH21      ARG  75  26.807  -1.469  -2.605
  572   HH22  ARG  75          HH22      ARG  75  28.538  -1.367  -2.559
  573    H    TRP  76           H        TRP  76  20.484  -1.175  -0.049
  574    HA   TRP  76           HA       TRP  76  19.788   1.655   0.282
  575    HB2  TRP  76           HB2      TRP  76  19.094  -0.323  -1.893
  576    HB3  TRP  76           HB3      TRP  76  18.488   1.330  -1.828
  577    HD1  TRP  76           HD1      TRP  76  22.137   0.260  -1.152
  578    HE1  TRP  76           HE1      TRP  76  23.642   1.403  -2.877
  579    HE3  TRP  76           HE3      TRP  76  18.549   2.540  -3.987
  580    HZ2  TRP  76           HZ2      TRP  76  23.356   3.027  -5.140
  581    HZ3  TRP  76           HZ3      TRP  76  19.254   3.894  -5.903
  582    HH2  TRP  76           HH2      TRP  76  21.611   4.145  -6.461
  583    H    THR  77           H        THR  77  17.622   2.281   0.486
  584    HA   THR  77           HA       THR  77  15.861   0.206   1.616
  585    HB   THR  77           HB       THR  77  15.869   3.162   2.265
  586    HG1  THR  77           HG1      THR  77  17.280   0.998   3.320
  587   HG21  THR  77          HG21      THR  77  14.476   0.836   3.592
  588   HG22  THR  77          HG22      THR  77  13.705   2.060   2.583
  589   HG23  THR  77          HG23      THR  77  14.428   2.514   4.125
  590    H    CYS  78           H        CYS  78  13.819   0.039   0.764
  591    HA   CYS  78           HA       CYS  78  13.172   1.441  -1.622
  592    HB2  CYS  78           HB2      CYS  78  12.275  -0.818  -1.164
  593    HB3  CYS  78           HB3      CYS  78  11.359  -0.171   0.194
  594    H    CYS  79           H        CYS  79  12.218   3.360  -1.844
  595    HA   CYS  79           HA       CYS  79  11.390   4.683   0.649
  596    HB2  CYS  79           HB2      CYS  79  13.365   5.705  -0.010
  597    HB3  CYS  79           HB3      CYS  79  12.937   5.683  -1.726
  598    H    LYS  80           H        LYS  80   9.595   5.925   0.705
  599    HA   LYS  80           HA       LYS  80   7.662   5.406  -1.401
  600    HB2  LYS  80           HB2      LYS  80   7.257   5.189   1.131
  601    HB3  LYS  80           HB3      LYS  80   7.190   6.944   1.141
  602    HG2  LYS  80           HG2      LYS  80   5.354   6.824  -0.523
  603    HG3  LYS  80           HG3      LYS  80   5.381   5.068  -0.354
  604    HD2  LYS  80           HD2      LYS  80   4.845   7.038   1.868
  605    HD3  LYS  80           HD3      LYS  80   3.624   6.099   1.013
  606    HE2  LYS  80           HE2      LYS  80   3.937   4.849   2.930
  607    HE3  LYS  80           HE3      LYS  80   5.019   4.054   1.793
  608    HZ1  LYS  80           HZ1      LYS  80   6.837   5.292   2.771
  609    HZ2  LYS  80           HZ2      LYS  80   6.082   4.408   3.904
  610    HZ3  LYS  80           HZ3      LYS  80   5.828   6.010   3.825
  611    H    GLU  81           H        GLU  81   8.206   6.696  -3.049
  612    HA   GLU  81           HA       GLU  81   8.408   8.499  -4.361
  613    HB2  GLU  81           HB2      GLU  81   6.571   9.500  -2.255
  614    HB3  GLU  81           HB3      GLU  81   7.235  10.653  -3.407
  615    HG2  GLU  81           HG2      GLU  81   5.623   8.192  -4.045
  616    HG3  GLU  81           HG3      GLU  81   5.119   9.873  -4.196
  617    H    ILE  82           H        ILE  82  10.219   9.398  -4.759
  618    HA   ILE  82           HA       ILE  82  11.905  10.501  -2.693
  619    HB   ILE  82           HB       ILE  82  12.320  10.446  -5.692
  620   HG12  ILE  82          HG12      ILE  82  13.426   8.635  -3.533
  621   HG13  ILE  82          HG13      ILE  82  12.162   8.196  -4.677
  622   HG21  ILE  82          HG21      ILE  82  14.676  10.885  -5.153
  623   HG22  ILE  82          HG22      ILE  82  14.252  11.030  -3.447
  624   HG23  ILE  82          HG23      ILE  82  13.626  12.194  -4.615
  625   HD11  ILE  82          HD11      ILE  82  14.989   8.931  -5.400
  626   HD12  ILE  82          HD12      ILE  82  13.723   8.420  -6.517
  627   HD13  ILE  82          HD13      ILE  82  14.339   7.294  -5.307
  Start of MODEL    7
    1    H1   LEU   1           H1       LEU   1 -19.131   2.783  -4.229
    2    H2   LEU   1           H2       LEU   1 -19.636   3.840  -3.104
    3    H3   LEU   1           H3       LEU   1 -19.438   2.276  -2.714
    4    HA   LEU   1           HA       LEU   1 -17.649   3.593  -1.851
    5    HB2  LEU   1           HB2      LEU   1 -17.017   1.644  -4.059
    6    HB3  LEU   1           HB3      LEU   1 -15.772   2.333  -3.040
    7    HG   LEU   1           HG       LEU   1 -18.087   0.697  -2.053
    8   HD11  LEU   1          HD11      LEU   1 -16.610  -0.647  -3.443
    9   HD12  LEU   1          HD12      LEU   1 -16.456  -1.100  -1.746
   10   HD13  LEU   1          HD13      LEU   1 -15.219  -0.099  -2.509
   11   HD21  LEU   1          HD21      LEU   1 -16.786   0.571   0.024
   12   HD22  LEU   1          HD22      LEU   1 -17.225   2.228  -0.379
   13   HD23  LEU   1          HD23      LEU   1 -15.586   1.656  -0.677
   14    HA   PRO   2           HA       PRO   2 -15.802   6.880  -4.294
   15    HB2  PRO   2           HB2      PRO   2 -13.133   5.749  -3.627
   16    HB3  PRO   2           HB3      PRO   2 -13.775   7.369  -3.333
   17    HG2  PRO   2           HG2      PRO   2 -13.498   5.662  -1.326
   18    HG3  PRO   2           HG3      PRO   2 -14.944   6.701  -1.432
   19    HD2  PRO   2           HD2      PRO   2 -14.628   3.807  -2.180
   20    HD3  PRO   2           HD3      PRO   2 -15.943   4.587  -1.278
   21    H    ARG   3           H        ARG   3 -13.301   6.772  -5.657
   22    HA   ARG   3           HA       ARG   3 -14.184   5.374  -8.014
   23    HB2  ARG   3           HB2      ARG   3 -13.129   7.605  -8.145
   24    HB3  ARG   3           HB3      ARG   3 -11.632   6.922  -7.525
   25    HG2  ARG   3           HG2      ARG   3 -11.901   5.307  -9.582
   26    HG3  ARG   3           HG3      ARG   3 -12.883   6.633 -10.206
   27    HD2  ARG   3           HD2      ARG   3 -10.026   6.812  -9.267
   28    HD3  ARG   3           HD3      ARG   3 -10.571   6.834 -10.940
   29    HE   ARG   3           HE       ARG   3 -11.717   8.962 -10.372
   30   HH11  ARG   3          HH11      ARG   3  -9.073   7.857  -8.344
   31   HH12  ARG   3          HH12      ARG   3  -8.573   9.469  -7.921
   32   HH21  ARG   3          HH21      ARG   3 -11.068  11.067  -9.802
   33   HH22  ARG   3          HH22      ARG   3  -9.706  11.296  -8.749
   34    H    ASP   4           H        ASP   4 -11.480   5.087  -5.749
   35    HA   ASP   4           HA       ASP   4 -10.451   2.826  -7.337
   36    HB2  ASP   4           HB2      ASP   4  -8.971   4.757  -5.556
   37    HB3  ASP   4           HB3      ASP   4  -8.239   3.413  -6.421
   38    H    THR   5           H        THR   5 -12.315   2.934  -4.822
   39    HA   THR   5           HA       THR   5 -10.651   1.658  -2.839
   40    HB   THR   5           HB       THR   5 -13.636   2.119  -2.864
   41    HG1  THR   5           HG1      THR   5 -11.534   3.470  -1.482
   42   HG21  THR   5          HG21      THR   5 -13.079   0.282  -1.383
   43   HG22  THR   5          HG22      THR   5 -13.462   1.711  -0.425
   44   HG23  THR   5          HG23      THR   5 -11.782   1.224  -0.654
   45    H    SER   6           H        SER   6 -13.297   0.664  -4.984
   46    HA   SER   6           HA       SER   6 -13.196  -2.081  -4.240
   47    HB2  SER   6           HB2      SER   6 -15.156  -1.016  -5.312
   48    HB3  SER   6           HB3      SER   6 -14.229  -0.841  -6.798
   49    HG   SER   6           HG       SER   6 -15.214  -3.171  -5.563
   50    H    ARG   7           H        ARG   7 -11.399  -0.039  -6.298
   51    HA   ARG   7           HA       ARG   7 -10.052  -2.045  -7.817
   52    HB2  ARG   7           HB2      ARG   7 -10.020   0.087  -8.783
   53    HB3  ARG   7           HB3      ARG   7  -9.656   0.876  -7.258
   54    HG2  ARG   7           HG2      ARG   7  -7.419  -0.579  -7.559
   55    HG3  ARG   7           HG3      ARG   7  -7.846  -0.317  -9.251
   56    HD2  ARG   7           HD2      ARG   7  -7.948   2.080  -8.865
   57    HD3  ARG   7           HD3      ARG   7  -7.597   1.829  -7.154
   58    HE   ARG   7           HE       ARG   7  -5.524   0.676  -8.571
   59   HH11  ARG   7          HH11      ARG   7  -6.894   3.890  -8.293
   60   HH12  ARG   7          HH12      ARG   7  -5.355   4.690  -8.417
   61   HH21  ARG   7          HH21      ARG   7  -3.503   1.740  -8.759
   62   HH22  ARG   7          HH22      ARG   7  -3.439   3.470  -8.696
   63    H    CYS   8           H        CYS   8  -9.168  -0.066  -4.998
   64    HA   CYS   8           HA       CYS   8  -6.524  -1.046  -4.880
   65    HB2  CYS   8           HB2      CYS   8  -7.718   1.100  -3.826
   66    HB3  CYS   8           HB3      CYS   8  -7.788   0.031  -2.434
   67    H    VAL   9           H        VAL   9  -9.501  -2.062  -3.351
   68    HA   VAL   9           HA       VAL   9  -8.546  -3.433  -1.158
   69    HB   VAL   9           HB       VAL   9 -10.898  -3.026  -1.461
   70   HG11  VAL   9          HG11      VAL   9 -12.243  -4.232  -3.090
   71   HG12  VAL   9          HG12      VAL   9 -10.791  -5.006  -3.724
   72   HG13  VAL   9          HG13      VAL   9 -10.996  -3.259  -3.876
   73   HG21  VAL   9          HG21      VAL   9 -10.317  -5.986  -1.377
   74   HG22  VAL   9          HG22      VAL   9 -11.825  -5.227  -0.869
   75   HG23  VAL   9          HG23      VAL   9 -10.328  -4.879  -0.004
   76    H    GLY  10           H        GLY  10  -8.585  -4.478  -4.520
   77    HA2  GLY  10           HA2      GLY  10  -7.691  -7.150  -3.771
   78    HA3  GLY  10           HA3      GLY  10  -8.008  -6.577  -5.401
   79    H    TYR  11           H        TYR  11  -6.329  -4.130  -4.676
   80    HA   TYR  11           HA       TYR  11  -3.853  -5.326  -5.629
   81    HB2  TYR  11           HB2      TYR  11  -4.880  -2.503  -5.575
   82    HB3  TYR  11           HB3      TYR  11  -3.220  -2.898  -6.000
   83    HD1  TYR  11           HD1      TYR  11  -3.304  -5.142  -7.697
   84    HD2  TYR  11           HD2      TYR  11  -6.111  -1.972  -7.426
   85    HE1  TYR  11           HE1      TYR  11  -3.997  -5.574 -10.007
   86    HE2  TYR  11           HE2      TYR  11  -6.821  -2.383  -9.737
   87    HH   TYR  11           HH       TYR  11  -5.865  -5.194 -11.478
   88    H    HIS  12           H        HIS  12  -4.641  -2.684  -3.333
   89    HA   HIS  12           HA       HIS  12  -2.116  -3.333  -1.945
   90    HB2  HIS  12           HB2      HIS  12  -3.236  -0.559  -1.866
   91    HB3  HIS  12           HB3      HIS  12  -1.571  -1.091  -1.697
   92    HD1  HIS  12           HD1      HIS  12  -3.508   0.798  -3.865
   93    HD2  HIS  12           HD2      HIS  12  -0.768  -2.258  -4.478
   94    HE1  HIS  12           HE1      HIS  12  -2.739   1.053  -6.244
   95    HE2  HIS  12           HE2      HIS  12  -0.901  -0.650  -6.505
   96    H    GLY  13           H        GLY  13  -5.190  -3.839  -1.530
   97    HA2  GLY  13           HA2      GLY  13  -5.992  -4.600   0.585
   98    HA3  GLY  13           HA3      GLY  13  -4.984  -3.391   1.365
   99    H    TYR  14           H        TYR  14  -7.030  -2.997   2.557
  100    HA   TYR  14           HA       TYR  14  -9.222  -1.861   1.027
  101    HB2  TYR  14           HB2      TYR  14 -10.363  -1.781   3.268
  102    HB3  TYR  14           HB3      TYR  14  -9.884  -3.387   2.733
  103    HD1  TYR  14           HD1      TYR  14  -8.675  -4.755   4.173
  104    HD2  TYR  14           HD2      TYR  14  -8.727  -0.564   4.867
  105    HE1  TYR  14           HE1      TYR  14  -7.494  -5.098   6.303
  106    HE2  TYR  14           HE2      TYR  14  -7.545  -0.891   6.995
  107    HH   TYR  14           HH       TYR  14  -7.241  -2.697   8.660
  108    H    CYS  15           H        CYS  15 -10.348   0.085   2.295
  109    HA   CYS  15           HA       CYS  15  -8.246   2.149   2.393
  110    HB2  CYS  15           HB2      CYS  15 -11.053   2.421   1.310
  111    HB3  CYS  15           HB3      CYS  15  -9.813   3.667   1.309
  112    H    ILE  16           H        ILE  16  -8.131   2.217   4.661
  113    HA   ILE  16           HA       ILE  16 -10.543   3.115   6.059
  114    HB   ILE  16           HB       ILE  16  -9.269   2.939   8.137
  115   HG12  ILE  16          HG12      ILE  16  -7.019   1.986   6.358
  116   HG13  ILE  16          HG13      ILE  16  -7.029   3.436   7.349
  117   HG21  ILE  16          HG21      ILE  16  -9.025   0.475   8.145
  118   HG22  ILE  16          HG22      ILE  16  -9.233   0.495   6.394
  119   HG23  ILE  16          HG23      ILE  16 -10.539   1.044   7.443
  120   HD11  ILE  16          HD11      ILE  16  -7.084   2.086   9.362
  121   HD12  ILE  16          HD12      ILE  16  -5.705   1.652   8.352
  122   HD13  ILE  16          HD13      ILE  16  -7.131   0.615   8.392
  123    H    ARG  17           H        ARG  17  -9.564   4.848   7.936
  124    HA   ARG  17           HA       ARG  17  -9.156   7.146   6.242
  125    HB2  ARG  17           HB2      ARG  17 -10.700   7.286   8.135
  126    HB3  ARG  17           HB3      ARG  17  -9.382   6.952   9.251
  127    HG2  ARG  17           HG2      ARG  17  -8.266   9.036   8.354
  128    HG3  ARG  17           HG3      ARG  17  -9.801   9.398   7.560
  129    HD2  ARG  17           HD2      ARG  17  -9.697  10.564   9.667
  130    HD3  ARG  17           HD3      ARG  17 -10.919   9.297   9.761
  131    HE   ARG  17           HE       ARG  17  -8.492   8.255  10.686
  132   HH11  ARG  17          HH11      ARG  17 -10.879  10.632  11.616
  133   HH12  ARG  17          HH12      ARG  17 -10.581  10.457  13.315
  134   HH21  ARG  17          HH21      ARG  17  -8.098   8.013  12.917
  135   HH22  ARG  17          HH22      ARG  17  -9.006   8.956  14.054
  136    H    SER  18           H        SER  18  -7.270   5.419   8.724
  137    HA   SER  18           HA       SER  18  -5.071   7.289   8.185
  138    HB2  SER  18           HB2      SER  18  -6.066   6.383  10.889
  139    HB3  SER  18           HB3      SER  18  -4.595   7.318  10.624
  140    HG   SER  18           HG       SER  18  -6.137   8.813   9.458
  141    H    LYS  19           H        LYS  19  -3.022   6.513   9.309
  142    HA   LYS  19           HA       LYS  19  -2.370   4.027   8.046
  143    HB2  LYS  19           HB2      LYS  19  -0.775   6.060   9.597
  144    HB3  LYS  19           HB3      LYS  19  -0.068   4.640   8.847
  145    HG2  LYS  19           HG2      LYS  19   0.272   6.537   7.478
  146    HG3  LYS  19           HG3      LYS  19  -0.815   5.449   6.651
  147    HD2  LYS  19           HD2      LYS  19  -1.564   7.705   6.313
  148    HD3  LYS  19           HD3      LYS  19  -2.695   6.908   7.405
  149    HE2  LYS  19           HE2      LYS  19  -1.740   8.012   9.301
  150    HE3  LYS  19           HE3      LYS  19  -0.428   8.665   8.323
  151    HZ1  LYS  19           HZ1      LYS  19  -2.044   9.976   7.150
  152    HZ2  LYS  19           HZ2      LYS  19  -2.141  10.290   8.742
  153    HZ3  LYS  19           HZ3      LYS  19  -3.264   9.358   8.031
  154    H    VAL  20           H        VAL  20  -4.018   4.164  10.512
  155    HA   VAL  20           HA       VAL  20  -2.483   2.940  12.628
  156    HB   VAL  20           HB       VAL  20  -5.476   2.871  12.568
  157   HG11  VAL  20          HG11      VAL  20  -4.299   1.825  14.425
  158   HG12  VAL  20          HG12      VAL  20  -5.214   3.233  14.971
  159   HG13  VAL  20          HG13      VAL  20  -3.466   3.341  14.764
  160   HG21  VAL  20          HG21      VAL  20  -4.955   5.108  11.807
  161   HG22  VAL  20          HG22      VAL  20  -3.821   5.323  13.143
  162   HG23  VAL  20          HG23      VAL  20  -5.546   5.158  13.470
  163    H    CYS  21           H        CYS  21  -2.418   1.559  10.134
  164    HA   CYS  21           HA       CYS  21  -4.208  -0.561   9.877
  165    HB2  CYS  21           HB2      CYS  21  -1.293  -0.537   9.096
  166    HB3  CYS  21           HB3      CYS  21  -2.573  -1.511   8.380
  167    HA   PRO  22           HA       PRO  22  -2.975  -3.274  13.221
  168    HB2  PRO  22           HB2      PRO  22  -4.456  -5.400  12.445
  169    HB3  PRO  22           HB3      PRO  22  -5.175  -3.972  13.200
  170    HG2  PRO  22           HG2      PRO  22  -5.026  -4.711  10.301
  171    HG3  PRO  22           HG3      PRO  22  -6.395  -4.055  11.219
  172    HD2  PRO  22           HD2      PRO  22  -4.824  -2.521   9.637
  173    HD3  PRO  22           HD3      PRO  22  -5.598  -1.900  11.106
  174    H    LYS  23           H        LYS  23  -2.459  -5.851  13.140
  175    HA   LYS  23           HA       LYS  23  -0.489  -6.167  10.976
  176    HB2  LYS  23           HB2      LYS  23  -0.432  -7.048  13.849
  177    HB3  LYS  23           HB3      LYS  23   0.575  -7.834  12.646
  178    HG2  LYS  23           HG2      LYS  23   1.906  -6.205  13.740
  179    HG3  LYS  23           HG3      LYS  23   1.556  -5.595  12.125
  180    HD2  LYS  23           HD2      LYS  23  -0.124  -4.115  12.987
  181    HD3  LYS  23           HD3      LYS  23   0.023  -4.816  14.599
  182    HE2  LYS  23           HE2      LYS  23   1.188  -2.686  14.479
  183    HE3  LYS  23           HE3      LYS  23   2.329  -4.004  14.740
  184    HZ1  LYS  23           HZ1      LYS  23   3.100  -2.450  13.084
  185    HZ2  LYS  23           HZ2      LYS  23   1.796  -2.720  12.159
  186    HZ3  LYS  23           HZ3      LYS  23   2.866  -3.914  12.411
  187    HA   PRO  24           HA       PRO  24   0.633  -7.393  10.047
  188    HB2  PRO  24           HB2      PRO  24   1.001  -8.935   7.903
  189    HB3  PRO  24           HB3      PRO  24   1.358  -9.544   9.524
  190    HG2  PRO  24           HG2      PRO  24  -1.006 -10.072   7.779
  191    HG3  PRO  24           HG3      PRO  24  -0.124 -11.184   8.837
  192    HD2  PRO  24           HD2      PRO  24  -2.513  -9.893   9.478
  193    HD3  PRO  24           HD3      PRO  24  -1.395 -10.619  10.647
  194    H    PHE  25           H        PHE  25  -0.224  -5.415   9.365
  195    HA   PHE  25           HA       PHE  25  -1.086  -5.353   6.576
  196    HB2  PHE  25           HB2      PHE  25  -2.583  -4.077   8.871
  197    HB3  PHE  25           HB3      PHE  25  -2.760  -3.523   7.212
  198    HD1  PHE  25           HD1      PHE  25  -4.247  -4.563   5.778
  199    HD2  PHE  25           HD2      PHE  25  -3.119  -6.505   9.389
  200    HE1  PHE  25           HE1      PHE  25  -5.951  -6.285   5.379
  201    HE2  PHE  25           HE2      PHE  25  -4.830  -8.233   8.996
  202    HZ   PHE  25           HZ       PHE  25  -6.237  -8.118   6.981
  203    H    ALA  26           H        ALA  26  -0.605  -3.396   5.511
  204    HA   ALA  26           HA       ALA  26   1.097  -1.551   7.055
  205    HB1  ALA  26           HB1      ALA  26   1.719  -2.428   4.243
  206    HB2  ALA  26           HB2      ALA  26   2.447  -3.155   5.674
  207    HB3  ALA  26           HB3      ALA  26   2.720  -1.448   5.315
  208    H    ALA  27           H        ALA  27   0.756   0.553   6.698
  209    HA   ALA  27           HA       ALA  27  -1.375   1.518   5.154
  210    HB1  ALA  27           HB1      ALA  27  -0.568   2.748   7.061
  211    HB2  ALA  27           HB2      ALA  27  -0.357   3.740   5.618
  212    HB3  ALA  27           HB3      ALA  27   1.027   2.913   6.330
  213    H    PHE  28           H        PHE  28  -1.274   0.971   3.017
  214    HA   PHE  28           HA       PHE  28   1.181   1.624   1.563
  215    HB2  PHE  28           HB2      PHE  28  -0.828  -0.469   1.326
  216    HB3  PHE  28           HB3      PHE  28  -0.533   0.340  -0.204
  217    HD1  PHE  28           HD1      PHE  28   2.181   0.905  -0.381
  218    HD2  PHE  28           HD2      PHE  28   0.314  -2.414   1.502
  219    HE1  PHE  28           HE1      PHE  28   4.226  -0.425  -0.704
  220    HE2  PHE  28           HE2      PHE  28   2.346  -3.750   1.188
  221    HZ   PHE  28           HZ       PHE  28   4.310  -2.754   0.085
  222    H    GLY  29           H        GLY  29   0.844   3.816   1.521
  223    HA2  GLY  29           HA2      GLY  29   0.141   5.783   0.608
  224    HA3  GLY  29           HA3      GLY  29  -0.177   4.821  -0.818
  225    H    THR  30           H        THR  30  -2.010   5.554  -1.542
  226    HA   THR  30           HA       THR  30  -4.361   5.372   0.171
  227    HB   THR  30           HB       THR  30  -5.160   7.583  -0.694
  228    HG1  THR  30           HG1      THR  30  -4.002   8.260  -2.362
  229   HG21  THR  30          HG21      THR  30  -3.627   8.976   0.721
  230   HG22  THR  30          HG22      THR  30  -2.595   7.557   0.898
  231   HG23  THR  30          HG23      THR  30  -4.244   7.533   1.525
  232    H    CYS  31           H        CYS  31  -6.164   4.686  -0.961
  233    HA   CYS  31           HA       CYS  31  -5.691   3.591  -3.547
  234    HB2  CYS  31           HB2      CYS  31  -8.121   2.949  -3.381
  235    HB3  CYS  31           HB3      CYS  31  -7.077   2.339  -2.103
  236    H    SER  32           H        SER  32  -8.342   5.729  -2.513
  237    HA   SER  32           HA       SER  32  -8.424   6.732  -5.271
  238    HB2  SER  32           HB2      SER  32 -10.431   5.505  -4.180
  239    HB3  SER  32           HB3      SER  32 -10.657   6.989  -3.257
  240    HG   SER  32           HG       SER  32 -10.365   7.159  -6.044
  241    H    TRP  33           H        TRP  33  -9.582   7.985  -2.165
  242    HA   TRP  33           HA       TRP  33  -8.394  10.571  -2.780
  243    HB2  TRP  33           HB2      TRP  33  -9.897   9.992  -0.251
  244    HB3  TRP  33           HB3      TRP  33  -9.815  11.485  -1.176
  245    HD1  TRP  33           HD1      TRP  33 -12.384   9.444  -0.182
  246    HE1  TRP  33           HE1      TRP  33 -14.242   9.092  -1.915
  247    HE3  TRP  33           HE3      TRP  33  -9.863  10.891  -4.403
  248    HZ2  TRP  33           HZ2      TRP  33 -14.601   9.369  -4.686
  249    HZ3  TRP  33           HZ3      TRP  33 -11.055  10.806  -6.558
  250    HH2  TRP  33           HH2      TRP  33 -13.366  10.062  -6.690
  251    H    ARG  34           H        ARG  34  -6.915  11.570  -1.325
  252    HA   ARG  34           HA       ARG  34  -4.994   9.731  -0.299
  253    HB2  ARG  34           HB2      ARG  34  -4.351  11.842  -1.363
  254    HB3  ARG  34           HB3      ARG  34  -5.124  12.740  -0.065
  255    HG2  ARG  34           HG2      ARG  34  -3.020  10.780   0.644
  256    HG3  ARG  34           HG3      ARG  34  -2.542  12.288  -0.106
  257    HD2  ARG  34           HD2      ARG  34  -3.570  13.559   1.646
  258    HD3  ARG  34           HD3      ARG  34  -4.268  12.098   2.348
  259    HE   ARG  34           HE       ARG  34  -1.700  11.491   2.481
  260   HH11  ARG  34          HH11      ARG  34  -3.300  14.501   3.272
  261   HH12  ARG  34          HH12      ARG  34  -2.114  14.971   4.448
  262   HH21  ARG  34          HH21      ARG  34  -0.132  12.103   4.015
  263   HH22  ARG  34          HH22      ARG  34  -0.307  13.604   4.869
  264    H    GLN  35           H        GLN  35  -7.533  11.617   1.026
  265    HA   GLN  35           HA       GLN  35  -6.937  11.625   3.735
  266    HB2  GLN  35           HB2      GLN  35  -9.404  11.708   4.080
  267    HB3  GLN  35           HB3      GLN  35  -8.797  12.886   2.924
  268    HG2  GLN  35           HG2      GLN  35  -9.525  11.493   1.090
  269    HG3  GLN  35           HG3      GLN  35 -10.074  10.255   2.217
  270   HE21  GLN  35          HE21      GLN  35 -11.117  12.238   4.099
  271   HE22  GLN  35          HE22      GLN  35 -12.577  12.841   3.403
  272    H    LYS  36           H        LYS  36  -7.591   8.899   1.782
  273    HA   LYS  36           HA       LYS  36  -7.936   7.286   4.212
  274    HB2  LYS  36           HB2      LYS  36  -9.207   5.643   2.734
  275    HB3  LYS  36           HB3      LYS  36 -10.042   7.108   3.213
  276    HG2  LYS  36           HG2      LYS  36  -9.014   7.923   0.870
  277    HG3  LYS  36           HG3      LYS  36  -9.173   6.192   0.551
  278    HD2  LYS  36           HD2      LYS  36 -11.403   7.902   1.639
  279    HD3  LYS  36           HD3      LYS  36 -11.175   7.581  -0.080
  280    HE2  LYS  36           HE2      LYS  36 -11.880   5.433   0.089
  281    HE3  LYS  36           HE3      LYS  36 -11.229   5.233   1.714
  282    HZ1  LYS  36           HZ1      LYS  36 -13.615   5.222   1.742
  283    HZ2  LYS  36           HZ2      LYS  36 -13.692   6.676   1.023
  284    HZ3  LYS  36           HZ3      LYS  36 -13.084   6.549   2.525
  285    H    THR  37           H        THR  37  -6.560   5.739   4.537
  286    HA   THR  37           HA       THR  37  -4.334   5.393   2.722
  287    HB   THR  37           HB       THR  37  -4.806   4.135   5.436
  288    HG1  THR  37           HG1      THR  37  -4.205   6.715   4.734
  289   HG21  THR  37          HG21      THR  37  -2.380   3.890   5.508
  290   HG22  THR  37          HG22      THR  37  -2.242   4.648   3.919
  291   HG23  THR  37          HG23      THR  37  -3.032   3.080   4.083
  292    H    CYS  38           H        CYS  38  -3.685   3.387   1.835
  293    HA   CYS  38           HA       CYS  38  -5.847   1.407   1.651
  294    HB2  CYS  38           HB2      CYS  38  -4.683   2.507  -0.383
  295    HB3  CYS  38           HB3      CYS  38  -3.331   1.450  -0.000
  296    H    CYS  39           H        CYS  39  -5.662  -0.180   3.150
  297    HA   CYS  39           HA       CYS  39  -2.943  -0.944   3.993
  298    HB2  CYS  39           HB2      CYS  39  -5.546  -1.167   5.511
  299    HB3  CYS  39           HB3      CYS  39  -3.970  -1.672   6.110
  300    H    VAL  40           H        VAL  40  -2.303  -2.755   3.070
  301    HA   VAL  40           HA       VAL  40  -4.249  -4.912   2.626
  302    HB   VAL  40           HB       VAL  40  -2.766  -4.027   0.728
  303   HG11  VAL  40          HG11      VAL  40  -0.689  -3.942   2.011
  304   HG12  VAL  40          HG12      VAL  40  -0.535  -4.909   0.547
  305   HG13  VAL  40          HG13      VAL  40  -0.686  -5.702   2.116
  306   HG21  VAL  40          HG21      VAL  40  -4.050  -6.039   0.483
  307   HG22  VAL  40          HG22      VAL  40  -2.849  -6.966   1.384
  308   HG23  VAL  40          HG23      VAL  40  -2.446  -6.303  -0.205
  309    H    ASP  41           H        ASP  41  -3.731  -7.062   3.292
  310    HA   ASP  41           HA       ASP  41  -2.293  -7.290   5.693
  311    HB2  ASP  41           HB2      ASP  41  -2.794  -9.692   5.394
  312    HB3  ASP  41           HB3      ASP  41  -4.206  -8.682   5.271
  313    H    THR  42           H        THR  42  -0.198  -6.685   5.401
  314    HA   THR  42           HA       THR  42   1.282  -7.545   3.106
  315    HB   THR  42           HB       THR  42   3.178  -6.383   4.490
  316    HG1  THR  42           HG1      THR  42   2.447  -5.959   6.442
  317   HG21  THR  42          HG21      THR  42   2.472  -4.227   3.659
  318   HG22  THR  42          HG22      THR  42   0.802  -4.776   3.541
  319   HG23  THR  42          HG23      THR  42   2.034  -5.465   2.484
  320    H    THR  43           H        THR  43   1.060  -9.842   3.492
  321    HA   THR  43           HA       THR  43   3.245 -10.769   5.212
  322    HB   THR  43           HB       THR  43   1.254 -11.860   5.918
  323    HG1  THR  43           HG1      THR  43   3.147 -13.210   5.637
  324   HG21  THR  43          HG21      THR  43   0.768 -12.780   3.088
  325   HG22  THR  43          HG22      THR  43  -0.073 -11.436   3.857
  326   HG23  THR  43          HG23      THR  43  -0.254 -13.069   4.495
  327    H    SER  44           H        SER  44   1.686 -11.581   2.085
  328    HA   SER  44           HA       SER  44   4.298 -12.366   1.030
  329    HB2  SER  44           HB2      SER  44   1.582 -12.629  -0.245
  330    HB3  SER  44           HB3      SER  44   3.076 -13.382  -0.794
  331    HG   SER  44           HG       SER  44   1.841 -14.856   0.398
  332    H    ASP  45           H        ASP  45   1.557 -10.287   0.147
  333    HA   ASP  45           HA       ASP  45   2.719  -9.507  -2.334
  334    HB2  ASP  45           HB2      ASP  45   0.263  -8.482  -0.908
  335    HB3  ASP  45           HB3      ASP  45   0.712  -8.064  -2.556
  336    H    PHE  46           H        PHE  46   3.365  -8.391   0.691
  337    HA   PHE  46           HA       PHE  46   3.003  -5.681   0.709
  338    HB2  PHE  46           HB2      PHE  46   4.781  -5.567   2.369
  339    HB3  PHE  46           HB3      PHE  46   3.619  -6.857   2.676
  340    HD1  PHE  46           HD1      PHE  46   4.238  -9.153   2.053
  341    HD2  PHE  46           HD2      PHE  46   7.029  -5.990   2.081
  342    HE1  PHE  46           HE1      PHE  46   6.067 -10.798   2.111
  343    HE2  PHE  46           HE2      PHE  46   8.892  -7.598   2.147
  344    HZ   PHE  46           HZ       PHE  46   8.413 -10.020   2.159
  345    H    HIS  47           H        HIS  47   5.289  -7.334  -1.181
  346    HA   HIS  47           HA       HIS  47   7.316  -5.428  -1.432
  347    HB2  HIS  47           HB2      HIS  47   6.344  -7.430  -3.462
  348    HB3  HIS  47           HB3      HIS  47   7.791  -6.446  -3.634
  349    HD1  HIS  47           HD1      HIS  47   9.857  -7.101  -2.250
  350    HD2  HIS  47           HD2      HIS  47   6.552  -9.542  -1.602
  351    HE1  HIS  47           HE1      HIS  47  10.718  -9.085  -0.969
  352    HE2  HIS  47           HE2      HIS  47   8.742 -10.631  -0.757
  353    H    THR  48           H        THR  48   4.178  -4.902  -2.104
  354    HA   THR  48           HA       THR  48   3.853  -3.654  -4.503
  355    HB   THR  48           HB       THR  48   2.757  -2.582  -1.927
  356    HG1  THR  48           HG1      THR  48   1.736  -4.764  -3.446
  357   HG21  THR  48          HG21      THR  48   2.207  -1.303  -3.932
  358   HG22  THR  48          HG22      THR  48   0.779  -2.103  -3.277
  359   HG23  THR  48          HG23      THR  48   1.587  -2.767  -4.699
  360    H    CYS  49           H        CYS  49   6.114  -2.624  -2.193
  361    HA   CYS  49           HA       CYS  49   6.303   0.077  -2.220
  362    HB2  CYS  49           HB2      CYS  49   8.019  -1.579  -1.349
  363    HB3  CYS  49           HB3      CYS  49   8.623  -1.693  -2.996
  364    H    GLN  50           H        GLN  50   7.363  -2.053  -4.825
  365    HA   GLN  50           HA       GLN  50   8.271  -0.348  -6.728
  366    HB2  GLN  50           HB2      GLN  50   7.575  -2.056  -8.351
  367    HB3  GLN  50           HB3      GLN  50   8.297  -2.770  -6.920
  368    HG2  GLN  50           HG2      GLN  50   5.879  -3.015  -6.082
  369    HG3  GLN  50           HG3      GLN  50   5.429  -2.746  -7.760
  370   HE21  GLN  50          HE21      GLN  50   6.852  -4.889  -5.488
  371   HE22  GLN  50          HE22      GLN  50   6.958  -6.259  -6.544
  372    H    ASP  51           H        ASP  51   4.853  -1.043  -6.054
  373    HA   ASP  51           HA       ASP  51   3.939   0.339  -8.403
  374    HB2  ASP  51           HB2      ASP  51   2.744  -1.604  -7.373
  375    HB3  ASP  51           HB3      ASP  51   2.321  -0.567  -6.016
  376    H    LYS  52           H        LYS  52   4.415   1.077  -5.047
  377    HA   LYS  52           HA       LYS  52   3.005   3.580  -5.089
  378    HB2  LYS  52           HB2      LYS  52   4.828   2.208  -3.163
  379    HB3  LYS  52           HB3      LYS  52   4.547   3.930  -2.976
  380    HG2  LYS  52           HG2      LYS  52   2.013   2.875  -3.289
  381    HG3  LYS  52           HG3      LYS  52   2.861   1.686  -2.298
  382    HD2  LYS  52           HD2      LYS  52   1.777   3.353  -0.887
  383    HD3  LYS  52           HD3      LYS  52   3.533   3.477  -0.748
  384    HE2  LYS  52           HE2      LYS  52   3.566   5.380  -2.227
  385    HE3  LYS  52           HE3      LYS  52   1.840   5.211  -2.551
  386    HZ1  LYS  52           HZ1      LYS  52   3.184   6.291  -0.232
  387    HZ2  LYS  52           HZ2      LYS  52   1.790   5.496   0.031
  388    HZ3  LYS  52           HZ3      LYS  52   1.807   6.783  -0.960
  389    H    GLY  53           H        GLY  53   5.819   2.603  -6.504
  390    HA2  GLY  53           HA2      GLY  53   7.387   3.929  -7.632
  391    HA3  GLY  53           HA3      GLY  53   6.799   5.331  -6.740
  392    H    GLY  54           H        GLY  54   7.705   2.280  -5.290
  393    HA2  GLY  54           HA2      GLY  54   9.164   3.237  -3.200
  394    HA3  GLY  54           HA3      GLY  54   9.455   1.659  -3.928
  395    H    HIS  55           H        HIS  55  10.963   4.302  -2.953
  396    HA   HIS  55           HA       HIS  55  12.543   4.872  -5.325
  397    HB2  HIS  55           HB2      HIS  55  12.458   6.127  -2.580
  398    HB3  HIS  55           HB3      HIS  55  13.611   6.606  -3.820
  399    HD1  HIS  55           HD1      HIS  55  12.837   8.308  -5.483
  400    HD2  HIS  55           HD2      HIS  55   9.689   6.659  -3.329
  401    HE1  HIS  55           HE1      HIS  55  10.809   9.658  -6.109
  402    HE2  HIS  55           HE2      HIS  55   8.893   8.533  -4.924
  403    H    CYS  56           H        CYS  56  14.881   4.891  -5.234
  404    HA   CYS  56           HA       CYS  56  15.918   2.838  -3.411
  405    HB2  CYS  56           HB2      CYS  56  16.456   3.254  -6.343
  406    HB3  CYS  56           HB3      CYS  56  17.540   2.320  -5.316
  407    H    VAL  57           H        VAL  57  17.397   3.547  -2.099
  408    HA   VAL  57           HA       VAL  57  19.068   5.807  -2.959
  409    HB   VAL  57           HB       VAL  57  19.058   6.665  -0.668
  410   HG11  VAL  57          HG11      VAL  57  16.282   6.266  -1.763
  411   HG12  VAL  57          HG12      VAL  57  17.422   7.522  -2.245
  412   HG13  VAL  57          HG13      VAL  57  16.769   7.506  -0.606
  413   HG21  VAL  57          HG21      VAL  57  18.705   4.609   0.567
  414   HG22  VAL  57          HG22      VAL  57  17.076   4.466  -0.093
  415   HG23  VAL  57          HG23      VAL  57  17.471   5.793   0.999
  416    H    SER  58           H        SER  58  21.174   5.665  -2.566
  417    HA   SER  58           HA       SER  58  22.301   3.123  -1.981
  418    HB2  SER  58           HB2      SER  58  24.432   4.270  -2.396
  419    HB3  SER  58           HB3      SER  58  23.253   4.732  -3.610
  420    HG   SER  58           HG       SER  58  23.455   6.709  -2.994
  421    HA   PRO  59           HA       PRO  59  22.881   3.150   2.329
  422    HB2  PRO  59           HB2      PRO  59  25.538   2.564   2.689
  423    HB3  PRO  59           HB3      PRO  59  24.303   1.381   2.240
  424    HG2  PRO  59           HG2      PRO  59  26.231   2.854   0.485
  425    HG3  PRO  59           HG3      PRO  59  25.784   1.138   0.460
  426    HD2  PRO  59           HD2      PRO  59  24.727   2.841  -1.294
  427    HD3  PRO  59           HD3      PRO  59  23.739   1.559  -0.572
  428    H    LYS  60           H        LYS  60  24.546   5.497   0.529
  429    HA   LYS  60           HA       LYS  60  25.485   6.856   2.950
  430    HB2  LYS  60           HB2      LYS  60  26.647   8.391   1.340
  431    HB3  LYS  60           HB3      LYS  60  27.184   6.725   1.301
  432    HG2  LYS  60           HG2      LYS  60  27.092   7.337  -0.935
  433    HG3  LYS  60           HG3      LYS  60  25.601   6.435  -0.681
  434    HD2  LYS  60           HD2      LYS  60  25.065   8.364  -1.977
  435    HD3  LYS  60           HD3      LYS  60  24.432   8.628  -0.352
  436    HE2  LYS  60           HE2      LYS  60  25.478  10.651  -1.152
  437    HE3  LYS  60           HE3      LYS  60  26.426   9.981   0.173
  438    HZ1  LYS  60           HZ1      LYS  60  27.055   9.700  -2.678
  439    HZ2  LYS  60           HZ2      LYS  60  27.928   9.069  -1.462
  440    HZ3  LYS  60           HZ3      LYS  60  27.823  10.683  -1.631
  441    H    ILE  61           H        ILE  61  22.797   6.727   1.068
  442    HA   ILE  61           HA       ILE  61  22.127   9.540   1.101
  443    HB   ILE  61           HB       ILE  61  20.348   7.162   0.565
  444   HG12  ILE  61          HG12      ILE  61  22.368   7.499  -0.956
  445   HG13  ILE  61          HG13      ILE  61  20.796   7.382  -1.738
  446   HG21  ILE  61          HG21      ILE  61  19.966  10.094  -0.025
  447   HG22  ILE  61          HG22      ILE  61  19.079   9.134   1.159
  448   HG23  ILE  61          HG23      ILE  61  18.893   8.802  -0.563
  449   HD11  ILE  61          HD11      ILE  61  22.124   9.100  -2.763
  450   HD12  ILE  61          HD12      ILE  61  22.361   9.894  -1.206
  451   HD13  ILE  61          HD13      ILE  61  20.753   9.828  -1.930
  452    H    ARG  62           H        ARG  62  20.902  10.570   2.577
  453    HA   ARG  62           HA       ARG  62  19.968   8.981   4.861
  454    HB2  ARG  62           HB2      ARG  62  20.813  11.853   4.631
  455    HB3  ARG  62           HB3      ARG  62  19.763  11.340   5.940
  456    HG2  ARG  62           HG2      ARG  62  21.960  11.315   6.791
  457    HG3  ARG  62           HG3      ARG  62  21.509   9.631   6.534
  458    HD2  ARG  62           HD2      ARG  62  22.750   9.631   4.420
  459    HD3  ARG  62           HD3      ARG  62  23.212  11.310   4.698
  460    HE   ARG  62           HE       ARG  62  23.935   9.554   6.853
  461   HH11  ARG  62          HH11      ARG  62  24.942  10.789   3.738
  462   HH12  ARG  62          HH12      ARG  62  26.630  10.538   4.046
  463   HH21  ARG  62          HH21      ARG  62  26.148   9.217   7.256
  464   HH22  ARG  62          HH22      ARG  62  27.316   9.648   6.049
  465    H    CYS  63           H        CYS  63  18.102   8.290   4.012
  466    HA   CYS  63           HA       CYS  63  15.972  10.265   3.611
  467    HB2  CYS  63           HB2      CYS  63  16.641   9.543   1.400
  468    HB3  CYS  63           HB3      CYS  63  16.621   7.859   1.897
  469    H    LEU  64           H        LEU  64  13.811   9.397   4.129
  470    HA   LEU  64           HA       LEU  64  13.846   7.506   6.256
  471    HB2  LEU  64           HB2      LEU  64  11.689   8.843   4.698
  472    HB3  LEU  64           HB3      LEU  64  11.288   7.487   5.733
  473    HG   LEU  64           HG       LEU  64  12.389   8.741   7.628
  474   HD11  LEU  64          HD11      LEU  64  12.231  11.041   5.691
  475   HD12  LEU  64          HD12      LEU  64  13.712  10.287   6.285
  476   HD13  LEU  64          HD13      LEU  64  12.648  11.145   7.402
  477   HD21  LEU  64          HD21      LEU  64  10.450  10.150   8.016
  478   HD22  LEU  64          HD22      LEU  64   9.984   8.579   7.366
  479   HD23  LEU  64          HD23      LEU  64   9.993   9.998   6.320
  480    H    GLU  65           H        GLU  65  14.894   5.759   5.444
  481    HA   GLU  65           HA       GLU  65  13.974   4.494   3.024
  482    HB2  GLU  65           HB2      GLU  65  15.939   3.137   3.137
  483    HB3  GLU  65           HB3      GLU  65  16.395   4.794   3.495
  484    HG2  GLU  65           HG2      GLU  65  15.908   2.718   5.612
  485    HG3  GLU  65           HG3      GLU  65  17.485   3.022   4.895
  486    H    GLU  66           H        GLU  66  13.936   2.080   2.994
  487    HA   GLU  66           HA       GLU  66  13.211   0.056   3.633
  488    HB2  GLU  66           HB2      GLU  66  13.113   1.238   6.398
  489    HB3  GLU  66           HB3      GLU  66  12.729  -0.441   6.028
  490    HG2  GLU  66           HG2      GLU  66  14.941  -0.773   5.127
  491    HG3  GLU  66           HG3      GLU  66  15.323   0.916   5.419
  492    H    GLN  67           H        GLN  67  11.590   1.252   2.248
  493    HA   GLN  67           HA       GLN  67   8.950   1.329   3.392
  494    HB2  GLN  67           HB2      GLN  67   9.542   2.468   1.247
  495    HB3  GLN  67           HB3      GLN  67   9.727   0.889   0.499
  496    HG2  GLN  67           HG2      GLN  67   7.425   0.420   0.684
  497    HG3  GLN  67           HG3      GLN  67   7.160   1.757   1.800
  498   HE21  GLN  67          HE21      GLN  67   5.873   1.132  -0.761
  499   HE22  GLN  67          HE22      GLN  67   6.104   2.524  -1.754
  500    H    LEU  68           H        LEU  68   9.826  -0.905   0.768
  501    HA   LEU  68           HA       LEU  68   9.557  -3.202   2.566
  502    HB2  LEU  68           HB2      LEU  68   7.900  -2.865   0.066
  503    HB3  LEU  68           HB3      LEU  68   8.182  -4.412   0.818
  504    HG   LEU  68           HG       LEU  68   6.061  -3.826   1.517
  505   HD11  LEU  68          HD11      LEU  68   6.164  -3.433   3.891
  506   HD12  LEU  68          HD12      LEU  68   7.815  -2.834   3.749
  507   HD13  LEU  68          HD13      LEU  68   7.458  -4.525   3.400
  508   HD21  LEU  68          HD21      LEU  68   7.033  -1.047   2.102
  509   HD22  LEU  68          HD22      LEU  68   5.381  -1.643   2.275
  510   HD23  LEU  68          HD23      LEU  68   6.125  -1.551   0.676
  511    H    GLY  69           H        GLY  69  11.364  -4.357   2.243
  512    HA2  GLY  69           HA2      GLY  69  12.464  -6.025   1.058
  513    HA3  GLY  69           HA3      GLY  69  11.694  -5.460  -0.411
  514    H    LEU  70           H        LEU  70  13.815  -5.946  -1.263
  515    HA   LEU  70           HA       LEU  70  15.895  -3.975  -0.630
  516    HB2  LEU  70           HB2      LEU  70  16.497  -6.340  -0.372
  517    HB3  LEU  70           HB3      LEU  70  16.052  -6.643  -2.039
  518    HG   LEU  70           HG       LEU  70  17.889  -5.128  -2.760
  519   HD11  LEU  70          HD11      LEU  70  19.609  -4.526  -1.115
  520   HD12  LEU  70          HD12      LEU  70  18.576  -5.141   0.174
  521   HD13  LEU  70          HD13      LEU  70  18.064  -3.746  -0.776
  522   HD21  LEU  70          HD21      LEU  70  18.199  -7.547  -2.663
  523   HD22  LEU  70          HD22      LEU  70  18.716  -7.416  -0.981
  524   HD23  LEU  70          HD23      LEU  70  19.688  -6.691  -2.261
  525    H    CYS  71           H        CYS  71  17.068  -3.019  -2.331
  526    HA   CYS  71           HA       CYS  71  15.459  -2.428  -4.675
  527    HB2  CYS  71           HB2      CYS  71  17.729  -1.118  -3.264
  528    HB3  CYS  71           HB3      CYS  71  17.538  -0.797  -4.985
  529    HA   PRO  72           HA       PRO  72  17.709  -4.441  -8.000
  530    HB2  PRO  72           HB2      PRO  72  18.754  -1.687  -8.570
  531    HB3  PRO  72           HB3      PRO  72  18.152  -2.915  -9.697
  532    HG2  PRO  72           HG2      PRO  72  16.623  -0.853  -8.921
  533    HG3  PRO  72           HG3      PRO  72  15.942  -2.460  -9.222
  534    HD2  PRO  72           HD2      PRO  72  16.313  -1.031  -6.677
  535    HD3  PRO  72           HD3      PRO  72  15.233  -2.384  -7.063
  536    H    LEU  73           H        LEU  73  19.691  -1.742  -6.675
  537    HA   LEU  73           HA       LEU  73  22.095  -3.297  -6.771
  538    HB2  LEU  73           HB2      LEU  73  21.506  -0.741  -5.294
  539    HB3  LEU  73           HB3      LEU  73  23.079  -1.483  -5.383
  540    HG   LEU  73           HG       LEU  73  23.290   0.143  -6.958
  541   HD11  LEU  73          HD11      LEU  73  23.770  -2.012  -7.978
  542   HD12  LEU  73          HD12      LEU  73  23.217  -0.821  -9.156
  543   HD13  LEU  73          HD13      LEU  73  22.119  -2.083  -8.596
  544   HD21  LEU  73          HD21      LEU  73  21.161   1.142  -6.882
  545   HD22  LEU  73          HD22      LEU  73  20.392  -0.261  -7.631
  546   HD23  LEU  73          HD23      LEU  73  21.476   0.761  -8.576
  547    H    LYS  74           H        LYS  74  23.394  -3.675  -4.789
  548    HA   LYS  74           HA       LYS  74  21.710  -5.413  -3.195
  549    HB2  LYS  74           HB2      LYS  74  23.811  -6.201  -4.308
  550    HB3  LYS  74           HB3      LYS  74  24.723  -5.203  -3.180
  551    HG2  LYS  74           HG2      LYS  74  24.671  -7.528  -2.461
  552    HG3  LYS  74           HG3      LYS  74  23.824  -6.492  -1.309
  553    HD2  LYS  74           HD2      LYS  74  21.683  -7.135  -2.346
  554    HD3  LYS  74           HD3      LYS  74  22.552  -8.209  -3.440
  555    HE2  LYS  74           HE2      LYS  74  23.355  -9.496  -1.521
  556    HE3  LYS  74           HE3      LYS  74  22.486  -8.416  -0.433
  557    HZ1  LYS  74           HZ1      LYS  74  21.180 -10.018  -2.511
  558    HZ2  LYS  74           HZ2      LYS  74  20.452  -9.159  -1.338
  559    HZ3  LYS  74           HZ3      LYS  74  21.305 -10.484  -0.957
  560    H    ARG  75           H        ARG  75  23.901  -2.717  -2.675
  561    HA   ARG  75           HA       ARG  75  23.476  -2.882   0.203
  562    HB2  ARG  75           HB2      ARG  75  25.097  -0.857   0.120
  563    HB3  ARG  75           HB3      ARG  75  25.705  -2.490  -0.119
  564    HG2  ARG  75           HG2      ARG  75  25.597  -2.117  -2.559
  565    HG3  ARG  75           HG3      ARG  75  25.119  -0.445  -2.245
  566    HD2  ARG  75           HD2      ARG  75  27.173   0.020  -1.163
  567    HD3  ARG  75           HD3      ARG  75  27.619  -1.686  -1.145
  568    HE   ARG  75           HE       ARG  75  27.431  -1.274  -3.754
  569   HH11  ARG  75          HH11      ARG  75  28.941   0.701  -1.287
  570   HH12  ARG  75          HH12      ARG  75  30.145   1.341  -2.357
  571   HH21  ARG  75          HH21      ARG  75  29.027  -0.444  -5.163
  572   HH22  ARG  75          HH22      ARG  75  30.201   0.684  -4.560
  573    H    TRP  76           H        TRP  76  21.625  -1.780  -2.074
  574    HA   TRP  76           HA       TRP  76  21.090   0.838  -0.880
  575    HB2  TRP  76           HB2      TRP  76  20.016  -0.468  -3.380
  576    HB3  TRP  76           HB3      TRP  76  19.491   1.095  -2.770
  577    HD1  TRP  76           HD1      TRP  76  23.129  -0.178  -3.131
  578    HE1  TRP  76           HE1      TRP  76  24.381   1.443  -4.667
  579    HE3  TRP  76           HE3      TRP  76  19.285   2.971  -4.271
  580    HZ2  TRP  76           HZ2      TRP  76  23.808   3.758  -6.168
  581    HZ3  TRP  76           HZ3      TRP  76  19.720   4.888  -5.736
  582    HH2  TRP  76           HH2      TRP  76  21.944   5.280  -6.651
  583    H    THR  77           H        THR  77  18.913   1.400  -0.343
  584    HA   THR  77           HA       THR  77  17.345  -0.925   0.561
  585    HB   THR  77           HB       THR  77  17.377   1.771   1.914
  586    HG1  THR  77           HG1      THR  77  19.163  -0.400   2.136
  587   HG21  THR  77          HG21      THR  77  16.537   0.476   3.824
  588   HG22  THR  77          HG22      THR  77  16.575  -0.988   2.842
  589   HG23  THR  77          HG23      THR  77  15.478   0.327   2.422
  590    H    CYS  78           H        CYS  78  15.188  -0.944   0.040
  591    HA   CYS  78           HA       CYS  78  14.110   0.954  -1.771
  592    HB2  CYS  78           HB2      CYS  78  13.194  -1.307  -1.730
  593    HB3  CYS  78           HB3      CYS  78  12.734  -1.122  -0.039
  594    H    CYS  79           H        CYS  79  13.706   2.987  -1.227
  595    HA   CYS  79           HA       CYS  79  13.213   3.585   1.586
  596    HB2  CYS  79           HB2      CYS  79  15.034   4.798   0.822
  597    HB3  CYS  79           HB3      CYS  79  14.277   5.187  -0.718
  598    H    LYS  80           H        LYS  80  11.553   4.835   2.298
  599    HA   LYS  80           HA       LYS  80   9.157   4.460   0.714
  600    HB2  LYS  80           HB2      LYS  80   9.580   3.949   3.249
  601    HB3  LYS  80           HB3      LYS  80   9.262   5.660   3.465
  602    HG2  LYS  80           HG2      LYS  80   7.350   3.766   2.129
  603    HG3  LYS  80           HG3      LYS  80   7.318   4.142   3.849
  604    HD2  LYS  80           HD2      LYS  80   7.172   6.599   3.084
  605    HD3  LYS  80           HD3      LYS  80   6.728   5.923   1.510
  606    HE2  LYS  80           HE2      LYS  80   4.870   4.748   2.499
  607    HE3  LYS  80           HE3      LYS  80   5.335   5.304   4.107
  608    HZ1  LYS  80           HZ1      LYS  80   4.460   7.021   1.891
  609    HZ2  LYS  80           HZ2      LYS  80   4.911   7.550   3.365
  610    HZ3  LYS  80           HZ3      LYS  80   3.575   6.640   3.208
  611    H    GLU  81           H        GLU  81   9.307   6.001  -0.838
  612    HA   GLU  81           HA       GLU  81   9.005   8.000  -1.858
  613    HB2  GLU  81           HB2      GLU  81   7.255   8.378   0.561
  614    HB3  GLU  81           HB3      GLU  81   7.190   9.366  -0.893
  615    HG2  GLU  81           HG2      GLU  81   6.556   7.453  -2.222
  616    HG3  GLU  81           HG3      GLU  81   6.732   6.399  -0.817
  617    H    ILE  82           H        ILE  82  10.962   8.969  -1.860
  618    HA   ILE  82           HA       ILE  82  12.111  10.398   0.287
  619    HB   ILE  82           HB       ILE  82  12.609  10.904  -2.652
  620   HG12  ILE  82          HG12      ILE  82  13.978   8.906  -0.831
  621   HG13  ILE  82          HG13      ILE  82  12.849   8.497  -2.119
  622   HG21  ILE  82          HG21      ILE  82  14.820  11.629  -1.879
  623   HG22  ILE  82          HG22      ILE  82  14.334  11.326  -0.212
  624   HG23  ILE  82          HG23      ILE  82  13.531  12.585  -1.149
  625   HD11  ILE  82          HD11      ILE  82  15.143   8.143  -2.824
  626   HD12  ILE  82          HD12      ILE  82  15.526   9.828  -2.471
  627   HD13  ILE  82          HD13      ILE  82  14.394   9.432  -3.764
  Start of MODEL    8
    1    H1   LEU   1           H1       LEU   1 -18.710   2.800  -2.915
    2    H2   LEU   1           H2       LEU   1 -18.405   1.270  -2.462
    3    H3   LEU   1           H3       LEU   1 -18.032   1.759  -3.966
    4    HA   LEU   1           HA       LEU   1 -16.803   2.766  -1.518
    5    HB2  LEU   1           HB2      LEU   1 -15.789   0.873  -3.625
    6    HB3  LEU   1           HB3      LEU   1 -14.750   1.647  -2.454
    7    HG   LEU   1           HG       LEU   1 -17.018  -0.175  -1.769
    8   HD11  LEU   1          HD11      LEU   1 -14.072  -0.754  -1.882
    9   HD12  LEU   1          HD12      LEU   1 -15.302  -1.404  -2.964
   10   HD13  LEU   1          HD13      LEU   1 -15.306  -1.847  -1.256
   11   HD21  LEU   1          HD21      LEU   1 -16.517   1.375   0.012
   12   HD22  LEU   1          HD22      LEU   1 -14.805   0.973  -0.092
   13   HD23  LEU   1          HD23      LEU   1 -15.963  -0.240   0.452
   14    HA   PRO   2           HA       PRO   2 -15.256   6.258  -3.743
   15    HB2  PRO   2           HB2      PRO   2 -12.552   5.448  -2.798
   16    HB3  PRO   2           HB3      PRO   2 -13.389   6.995  -2.625
   17    HG2  PRO   2           HG2      PRO   2 -13.192   5.384  -0.543
   18    HG3  PRO   2           HG3      PRO   2 -14.739   6.205  -0.872
   19    HD2  PRO   2           HD2      PRO   2 -13.930   3.376  -1.469
   20    HD3  PRO   2           HD3      PRO   2 -15.451   3.979  -0.782
   21    H    ARG   3           H        ARG   3 -13.567   6.945  -5.295
   22    HA   ARG   3           HA       ARG   3 -13.876   5.633  -7.645
   23    HB2  ARG   3           HB2      ARG   3 -13.165   7.939  -7.480
   24    HB3  ARG   3           HB3      ARG   3 -11.616   7.446  -6.815
   25    HG2  ARG   3           HG2      ARG   3 -11.062   6.353  -8.937
   26    HG3  ARG   3           HG3      ARG   3 -12.612   6.882  -9.600
   27    HD2  ARG   3           HD2      ARG   3 -11.982   9.201  -9.281
   28    HD3  ARG   3           HD3      ARG   3 -10.466   8.711  -8.535
   29    HE   ARG   3           HE       ARG   3 -10.945   7.806 -11.261
   30   HH11  ARG   3          HH11      ARG   3  -9.395  10.097  -9.113
   31   HH12  ARG   3          HH12      ARG   3  -8.216  10.595 -10.283
   32   HH21  ARG   3          HH21      ARG   3  -9.390   8.460 -12.811
   33   HH22  ARG   3          HH22      ARG   3  -8.213   9.663 -12.387
   34    H    ASP   4           H        ASP   4 -10.998   5.343  -5.548
   35    HA   ASP   4           HA       ASP   4  -9.987   3.299  -7.421
   36    HB2  ASP   4           HB2      ASP   4  -8.500   5.046  -5.466
   37    HB3  ASP   4           HB3      ASP   4  -7.754   3.743  -6.385
   38    H    THR   5           H        THR   5 -11.663   3.271  -4.672
   39    HA   THR   5           HA       THR   5  -9.972   1.724  -2.975
   40    HB   THR   5           HB       THR   5 -12.959   2.149  -2.864
   41    HG1  THR   5           HG1      THR   5 -10.892   3.312  -1.285
   42   HG21  THR   5          HG21      THR   5 -11.084   1.075  -0.747
   43   HG22  THR   5          HG22      THR   5 -12.249   0.115  -1.658
   44   HG23  THR   5          HG23      THR   5 -12.814   1.373  -0.561
   45    H    SER   6           H        SER   6 -12.604   0.899  -5.216
   46    HA   SER   6           HA       SER   6 -12.692  -1.841  -4.516
   47    HB2  SER   6           HB2      SER   6 -14.516  -0.651  -5.690
   48    HB3  SER   6           HB3      SER   6 -13.506  -0.564  -7.129
   49    HG   SER   6           HG       SER   6 -13.512  -2.837  -7.200
   50    H    ARG   7           H        ARG   7 -10.703   0.025  -6.669
   51    HA   ARG   7           HA       ARG   7  -9.441  -2.199  -7.944
   52    HB2  ARG   7           HB2      ARG   7  -9.342  -0.051  -9.027
   53    HB3  ARG   7           HB3      ARG   7  -8.640   0.698  -7.601
   54    HG2  ARG   7           HG2      ARG   7  -6.997  -1.485  -8.500
   55    HG3  ARG   7           HG3      ARG   7  -7.292  -0.346  -9.814
   56    HD2  ARG   7           HD2      ARG   7  -6.306   0.416  -7.068
   57    HD3  ARG   7           HD3      ARG   7  -5.258   0.128  -8.453
   58    HE   ARG   7           HE       ARG   7  -7.333   2.205  -8.600
   59   HH11  ARG   7          HH11      ARG   7  -3.960   1.256  -8.692
   60   HH12  ARG   7          HH12      ARG   7  -3.394   2.839  -9.113
   61   HH21  ARG   7          HH21      ARG   7  -6.580   4.312  -9.128
   62   HH22  ARG   7          HH22      ARG   7  -4.874   4.568  -9.369
   63    H    CYS   8           H        CYS   8  -8.614  -0.048  -5.273
   64    HA   CYS   8           HA       CYS   8  -6.037  -1.069  -4.823
   65    HB2  CYS   8           HB2      CYS   8  -7.296   1.110  -3.975
   66    HB3  CYS   8           HB3      CYS   8  -7.577   0.090  -2.579
   67    H    VAL   9           H        VAL   9  -9.166  -1.845  -3.370
   68    HA   VAL   9           HA       VAL   9  -8.328  -3.181  -1.111
   69    HB   VAL   9           HB       VAL   9 -10.647  -2.565  -1.485
   70   HG11  VAL   9          HG11      VAL   9 -10.696  -4.783  -3.519
   71   HG12  VAL   9          HG12      VAL   9 -10.812  -3.052  -3.846
   72   HG13  VAL   9          HG13      VAL   9 -12.098  -3.871  -2.954
   73   HG21  VAL   9          HG21      VAL   9 -10.296  -5.530  -1.058
   74   HG22  VAL   9          HG22      VAL   9 -11.732  -4.597  -0.634
   75   HG23  VAL   9          HG23      VAL   9 -10.200  -4.273   0.176
   76    H    GLY  10           H        GLY  10  -8.479  -4.398  -4.394
   77    HA2  GLY  10           HA2      GLY  10  -7.872  -7.107  -3.556
   78    HA3  GLY  10           HA3      GLY  10  -8.033  -6.536  -5.211
   79    H    TYR  11           H        TYR  11  -6.141  -4.282  -4.653
   80    HA   TYR  11           HA       TYR  11  -3.777  -5.865  -5.290
   81    HB2  TYR  11           HB2      TYR  11  -4.441  -2.950  -5.664
   82    HB3  TYR  11           HB3      TYR  11  -2.853  -3.625  -5.999
   83    HD1  TYR  11           HD1      TYR  11  -3.326  -6.097  -7.314
   84    HD2  TYR  11           HD2      TYR  11  -5.505  -2.467  -7.653
   85    HE1  TYR  11           HE1      TYR  11  -4.062  -6.758  -9.551
   86    HE2  TYR  11           HE2      TYR  11  -6.255  -3.117  -9.902
   87    HH   TYR  11           HH       TYR  11  -5.993  -6.240 -11.090
   88    H    HIS  12           H        HIS  12  -4.300  -2.816  -3.494
   89    HA   HIS  12           HA       HIS  12  -1.921  -3.517  -1.906
   90    HB2  HIS  12           HB2      HIS  12  -2.944  -0.713  -1.976
   91    HB3  HIS  12           HB3      HIS  12  -1.292  -1.300  -1.844
   92    HD1  HIS  12           HD1      HIS  12  -3.293   0.508  -4.057
   93    HD2  HIS  12           HD2      HIS  12  -0.577  -2.592  -4.561
   94    HE1  HIS  12           HE1      HIS  12  -2.654   0.562  -6.487
   95    HE2  HIS  12           HE2      HIS  12  -0.747  -1.088  -6.664
   96    H    GLY  13           H        GLY  13  -5.017  -3.908  -1.596
   97    HA2  GLY  13           HA2      GLY  13  -5.919  -4.606   0.498
   98    HA3  GLY  13           HA3      GLY  13  -4.903  -3.412   1.294
   99    H    TYR  14           H        TYR  14  -7.232  -3.254   2.262
  100    HA   TYR  14           HA       TYR  14  -9.144  -1.820   0.635
  101    HB2  TYR  14           HB2      TYR  14 -10.477  -1.783   2.781
  102    HB3  TYR  14           HB3      TYR  14 -10.076  -3.384   2.170
  103    HD1  TYR  14           HD1      TYR  14  -9.092  -0.834   4.665
  104    HD2  TYR  14           HD2      TYR  14  -8.889  -4.913   3.502
  105    HE1  TYR  14           HE1      TYR  14  -8.111  -1.396   6.848
  106    HE2  TYR  14           HE2      TYR  14  -7.909  -5.493   5.680
  107    HH   TYR  14           HH       TYR  14  -7.924  -3.380   8.312
  108    H    CYS  15           H        CYS  15 -10.241   0.114   2.110
  109    HA   CYS  15           HA       CYS  15  -7.965   1.934   2.533
  110    HB2  CYS  15           HB2      CYS  15 -10.531   2.654   1.124
  111    HB3  CYS  15           HB3      CYS  15  -9.093   3.651   1.304
  112    H    ILE  16           H        ILE  16  -8.105   2.029   4.743
  113    HA   ILE  16           HA       ILE  16 -10.646   2.805   5.955
  114    HB   ILE  16           HB       ILE  16  -9.509   2.545   8.124
  115   HG12  ILE  16          HG12      ILE  16  -7.153   1.716   6.425
  116   HG13  ILE  16          HG13      ILE  16  -7.232   3.073   7.537
  117   HG21  ILE  16          HG21      ILE  16 -10.733   0.692   7.244
  118   HG22  ILE  16          HG22      ILE  16  -9.275   0.088   8.030
  119   HG23  ILE  16          HG23      ILE  16  -9.354   0.188   6.271
  120   HD11  ILE  16          HD11      ILE  16  -7.357   0.167   8.306
  121   HD12  ILE  16          HD12      ILE  16  -7.422   1.537   9.413
  122   HD13  ILE  16          HD13      ILE  16  -5.960   1.231   8.476
  123    H    ARG  17           H        ARG  17 -10.022   4.444   7.966
  124    HA   ARG  17           HA       ARG  17  -9.650   6.874   6.553
  125    HB2  ARG  17           HB2      ARG  17 -11.176   6.659   8.470
  126    HB3  ARG  17           HB3      ARG  17  -9.797   6.410   9.532
  127    HG2  ARG  17           HG2      ARG  17  -8.971   8.646   8.977
  128    HG3  ARG  17           HG3      ARG  17 -10.374   8.895   7.935
  129    HD2  ARG  17           HD2      ARG  17 -10.458   8.358  10.899
  130    HD3  ARG  17           HD3      ARG  17 -10.657   9.934  10.139
  131    HE   ARG  17           HE       ARG  17 -12.592   8.532   8.949
  132   HH11  ARG  17          HH11      ARG  17 -11.661   8.723  12.312
  133   HH12  ARG  17          HH12      ARG  17 -13.276   8.509  12.908
  134   HH21  ARG  17          HH21      ARG  17 -14.731   8.265   9.729
  135   HH22  ARG  17          HH22      ARG  17 -15.023   8.253  11.439
  136    H    SER  18           H        SER  18  -7.575   5.079   8.846
  137    HA   SER  18           HA       SER  18  -5.454   7.000   8.228
  138    HB2  SER  18           HB2      SER  18  -6.626   7.667  10.336
  139    HB3  SER  18           HB3      SER  18  -6.134   6.141  11.038
  140    HG   SER  18           HG       SER  18  -4.769   8.373  10.994
  141    H    LYS  19           H        LYS  19  -3.495   6.154   9.792
  142    HA   LYS  19           HA       LYS  19  -2.720   3.732   8.428
  143    HB2  LYS  19           HB2      LYS  19  -1.055   5.253  10.415
  144    HB3  LYS  19           HB3      LYS  19  -0.517   4.290   9.044
  145    HG2  LYS  19           HG2      LYS  19  -0.247   6.293   8.094
  146    HG3  LYS  19           HG3      LYS  19  -1.964   6.158   7.763
  147    HD2  LYS  19           HD2      LYS  19  -2.350   7.346   9.960
  148    HD3  LYS  19           HD3      LYS  19  -0.618   7.662   9.998
  149    HE2  LYS  19           HE2      LYS  19  -2.524   8.536   7.833
  150    HE3  LYS  19           HE3      LYS  19  -1.867   9.564   9.103
  151    HZ1  LYS  19           HZ1      LYS  19  -0.310   8.232   7.005
  152    HZ2  LYS  19           HZ2      LYS  19   0.321   9.144   8.193
  153    HZ3  LYS  19           HZ3      LYS  19  -0.647   9.823   7.077
  154    H    VAL  20           H        VAL  20  -4.624   3.951  10.795
  155    HA   VAL  20           HA       VAL  20  -3.406   2.443  12.922
  156    HB   VAL  20           HB       VAL  20  -6.375   2.590  12.488
  157   HG11  VAL  20          HG11      VAL  20  -5.589   1.222  14.328
  158   HG12  VAL  20          HG12      VAL  20  -6.412   2.657  14.941
  159   HG13  VAL  20          HG13      VAL  20  -4.650   2.575  14.959
  160   HG21  VAL  20          HG21      VAL  20  -5.512   4.842  12.112
  161   HG22  VAL  20          HG22      VAL  20  -4.663   4.781  13.656
  162   HG23  VAL  20          HG23      VAL  20  -6.426   4.748  13.615
  163    H    CYS  21           H        CYS  21  -3.104   1.246  10.344
  164    HA   CYS  21           HA       CYS  21  -4.867  -0.810   9.732
  165    HB2  CYS  21           HB2      CYS  21  -1.869  -0.825   9.373
  166    HB3  CYS  21           HB3      CYS  21  -3.051  -1.723   8.426
  167    HA   PRO  22           HA       PRO  22  -4.164  -3.771  13.031
  168    HB2  PRO  22           HB2      PRO  22  -5.352  -5.884  11.779
  169    HB3  PRO  22           HB3      PRO  22  -6.258  -4.606  12.596
  170    HG2  PRO  22           HG2      PRO  22  -5.690  -4.959   9.684
  171    HG3  PRO  22           HG3      PRO  22  -7.186  -4.442  10.482
  172    HD2  PRO  22           HD2      PRO  22  -5.483  -2.699   9.309
  173    HD3  PRO  22           HD3      PRO  22  -6.451  -2.273  10.734
  174    H    LYS  23           H        LYS  23  -3.467  -6.297  12.857
  175    HA   LYS  23           HA       LYS  23  -1.173  -6.325  11.012
  176    HB2  LYS  23           HB2      LYS  23  -1.327  -7.034  13.920
  177    HB3  LYS  23           HB3      LYS  23  -0.140  -7.825  12.897
  178    HG2  LYS  23           HG2      LYS  23   0.863  -5.947  14.030
  179    HG3  LYS  23           HG3      LYS  23   0.790  -5.631  12.298
  180    HD2  LYS  23           HD2      LYS  23  -1.271  -4.292  12.690
  181    HD3  LYS  23           HD3      LYS  23  -1.041  -4.524  14.425
  182    HE2  LYS  23           HE2      LYS  23   1.039  -3.341  14.370
  183    HE3  LYS  23           HE3      LYS  23   1.010  -3.268  12.610
  184    HZ1  LYS  23           HZ1      LYS  23  -0.936  -1.948  14.367
  185    HZ2  LYS  23           HZ2      LYS  23  -0.888  -1.836  12.744
  186    HZ3  LYS  23           HZ3      LYS  23   0.315  -1.201  13.637
  187    HA   PRO  24           HA       PRO  24   0.201  -7.449  10.203
  188    HB2  PRO  24           HB2      PRO  24   0.850  -8.874   8.051
  189    HB3  PRO  24           HB3      PRO  24   1.140  -9.503   9.677
  190    HG2  PRO  24           HG2      PRO  24  -1.024 -10.181   7.742
  191    HG3  PRO  24           HG3      PRO  24  -0.139 -11.242   8.850
  192    HD2  PRO  24           HD2      PRO  24  -2.673 -10.151   9.304
  193    HD3  PRO  24           HD3      PRO  24  -1.610 -10.844  10.542
  194    H    PHE  25           H        PHE  25  -0.703  -5.525   9.510
  195    HA   PHE  25           HA       PHE  25  -1.328  -5.417   6.662
  196    HB2  PHE  25           HB2      PHE  25  -3.076  -4.264   8.849
  197    HB3  PHE  25           HB3      PHE  25  -3.144  -3.695   7.189
  198    HD1  PHE  25           HD1      PHE  25  -4.545  -4.725   5.680
  199    HD2  PHE  25           HD2      PHE  25  -3.475  -6.775   9.252
  200    HE1  PHE  25           HE1      PHE  25  -6.152  -6.505   5.140
  201    HE2  PHE  25           HE2      PHE  25  -5.088  -8.548   8.720
  202    HZ   PHE  25           HZ       PHE  25  -6.418  -8.410   6.661
  203    H    ALA  26           H        ALA  26  -0.769  -3.421   5.706
  204    HA   ALA  26           HA       ALA  26   0.732  -1.624   7.496
  205    HB1  ALA  26           HB1      ALA  26   2.223  -3.159   6.177
  206    HB2  ALA  26           HB2      ALA  26   2.529  -1.436   5.964
  207    HB3  ALA  26           HB3      ALA  26   1.657  -2.333   4.724
  208    H    ALA  27           H        ALA  27   0.483   0.486   7.201
  209    HA   ALA  27           HA       ALA  27  -1.481   1.609   5.556
  210    HB1  ALA  27           HB1      ALA  27  -0.457   3.758   6.196
  211    HB2  ALA  27           HB2      ALA  27   0.911   2.883   6.882
  212    HB3  ALA  27           HB3      ALA  27  -0.697   2.690   7.579
  213    H    PHE  28           H        PHE  28  -1.329   1.263   3.409
  214    HA   PHE  28           HA       PHE  28   1.244   1.756   2.094
  215    HB2  PHE  28           HB2      PHE  28  -0.796  -0.238   1.793
  216    HB3  PHE  28           HB3      PHE  28  -0.646   0.645   0.290
  217    HD1  PHE  28           HD1      PHE  28   1.909   1.088  -0.398
  218    HD2  PHE  28           HD2      PHE  28   0.462  -2.096   2.021
  219    HE1  PHE  28           HE1      PHE  28   3.890  -0.259  -0.984
  220    HE2  PHE  28           HE2      PHE  28   2.422  -3.448   1.441
  221    HZ   PHE  28           HZ       PHE  28   4.151  -2.526  -0.060
  222    H    GLY  29           H        GLY  29   1.061   3.979   2.137
  223    HA2  GLY  29           HA2      GLY  29   0.496   6.053   1.366
  224    HA3  GLY  29           HA3      GLY  29   0.224   5.225  -0.154
  225    H    THR  30           H        THR  30  -1.489   6.213  -0.900
  226    HA   THR  30           HA       THR  30  -3.994   5.950   0.608
  227    HB   THR  30           HB       THR  30  -4.729   8.127  -0.322
  228    HG1  THR  30           HG1      THR  30  -3.597   8.709  -2.041
  229   HG21  THR  30          HG21      THR  30  -3.213   9.607   1.002
  230   HG22  THR  30          HG22      THR  30  -2.138   8.223   1.227
  231   HG23  THR  30          HG23      THR  30  -3.773   8.188   1.890
  232    H    CYS  31           H        CYS  31  -5.768   5.349  -0.693
  233    HA   CYS  31           HA       CYS  31  -4.980   4.310  -3.299
  234    HB2  CYS  31           HB2      CYS  31  -7.162   3.124  -3.232
  235    HB3  CYS  31           HB3      CYS  31  -6.106   2.744  -1.876
  236    H    SER  32           H        SER  32  -8.020   5.826  -2.187
  237    HA   SER  32           HA       SER  32  -8.240   7.045  -4.849
  238    HB2  SER  32           HB2      SER  32 -10.090   5.559  -3.912
  239    HB3  SER  32           HB3      SER  32 -10.405   6.834  -2.744
  240    HG   SER  32           HG       SER  32 -10.313   7.957  -5.140
  241    H    TRP  33           H        TRP  33  -9.446   7.958  -1.642
  242    HA   TRP  33           HA       TRP  33  -8.619  10.705  -2.121
  243    HB2  TRP  33           HB2      TRP  33  -9.936   9.749   0.406
  244    HB3  TRP  33           HB3      TRP  33 -10.043  11.323  -0.366
  245    HD1  TRP  33           HD1      TRP  33 -12.374   8.980   0.503
  246    HE1  TRP  33           HE1      TRP  33 -14.251   8.601  -1.210
  247    HE3  TRP  33           HE3      TRP  33 -10.129  10.985  -3.643
  248    HZ2  TRP  33           HZ2      TRP  33 -14.713   9.064  -3.938
  249    HZ3  TRP  33           HZ3      TRP  33 -11.375  10.973  -5.765
  250    HH2  TRP  33           HH2      TRP  33 -13.612  10.033  -5.907
  251    H    ARG  34           H        ARG  34  -7.148  11.774  -0.793
  252    HA   ARG  34           HA       ARG  34  -5.015  10.164   0.188
  253    HB2  ARG  34           HB2      ARG  34  -4.542  12.283  -0.864
  254    HB3  ARG  34           HB3      ARG  34  -5.536  13.137   0.303
  255    HG2  ARG  34           HG2      ARG  34  -3.200  11.579   1.286
  256    HG3  ARG  34           HG3      ARG  34  -2.931  13.121   0.490
  257    HD2  ARG  34           HD2      ARG  34  -4.709  12.660   2.876
  258    HD3  ARG  34           HD3      ARG  34  -3.096  13.373   2.922
  259    HE   ARG  34           HE       ARG  34  -4.246  15.065   1.291
  260   HH11  ARG  34          HH11      ARG  34  -5.585  13.615   4.185
  261   HH12  ARG  34          HH12      ARG  34  -6.651  14.945   4.511
  262   HH21  ARG  34          HH21      ARG  34  -5.635  16.825   1.725
  263   HH22  ARG  34          HH22      ARG  34  -6.675  16.774   3.116
  264    H    GLN  35           H        GLN  35  -7.736  11.734   1.591
  265    HA   GLN  35           HA       GLN  35  -6.980  11.840   4.277
  266    HB2  GLN  35           HB2      GLN  35  -9.416  11.837   4.747
  267    HB3  GLN  35           HB3      GLN  35  -8.934  13.003   3.523
  268    HG2  GLN  35           HG2      GLN  35  -9.675  11.457   1.780
  269    HG3  GLN  35           HG3      GLN  35 -10.184  10.314   3.022
  270   HE21  GLN  35          HE21      GLN  35 -11.994  10.783   4.272
  271   HE22  GLN  35          HE22      GLN  35 -13.147  11.980   3.801
  272    H    LYS  36           H        LYS  36  -7.613   9.094   2.365
  273    HA   LYS  36           HA       LYS  36  -7.840   7.438   4.791
  274    HB2  LYS  36           HB2      LYS  36  -8.933   5.735   3.253
  275    HB3  LYS  36           HB3      LYS  36  -9.896   7.133   3.689
  276    HG2  LYS  36           HG2      LYS  36  -8.962   8.100   1.450
  277    HG3  LYS  36           HG3      LYS  36  -8.661   6.403   1.081
  278    HD2  LYS  36           HD2      LYS  36 -11.313   7.648   1.790
  279    HD3  LYS  36           HD3      LYS  36 -10.811   7.087   0.199
  280    HE2  LYS  36           HE2      LYS  36 -12.027   5.287   0.868
  281    HE3  LYS  36           HE3      LYS  36 -10.459   4.825   1.499
  282    HZ1  LYS  36           HZ1      LYS  36 -11.150   5.680   3.636
  283    HZ2  LYS  36           HZ2      LYS  36 -12.160   4.510   3.132
  284    HZ3  LYS  36           HZ3      LYS  36 -12.616   6.069   3.046
  285    H    THR  37           H        THR  37  -6.797   5.407   4.753
  286    HA   THR  37           HA       THR  37  -4.353   5.443   3.112
  287    HB   THR  37           HB       THR  37  -4.848   4.078   5.770
  288    HG1  THR  37           HG1      THR  37  -4.745   6.554   5.530
  289   HG21  THR  37          HG21      THR  37  -3.071   3.052   4.396
  290   HG22  THR  37          HG22      THR  37  -2.432   3.807   5.855
  291   HG23  THR  37          HG23      THR  37  -2.267   4.618   4.296
  292    H    CYS  38           H        CYS  38  -3.671   3.542   2.064
  293    HA   CYS  38           HA       CYS  38  -5.754   1.518   1.706
  294    HB2  CYS  38           HB2      CYS  38  -4.535   2.628  -0.235
  295    HB3  CYS  38           HB3      CYS  38  -3.100   1.749   0.270
  296    H    CYS  39           H        CYS  39  -5.670  -0.267   2.957
  297    HA   CYS  39           HA       CYS  39  -3.070  -0.981   4.145
  298    HB2  CYS  39           HB2      CYS  39  -5.836  -1.150   5.341
  299    HB3  CYS  39           HB3      CYS  39  -4.391  -1.813   6.093
  300    H    VAL  40           H        VAL  40  -2.329  -2.788   3.286
  301    HA   VAL  40           HA       VAL  40  -4.252  -4.894   2.553
  302    HB   VAL  40           HB       VAL  40  -2.713  -4.008   0.765
  303   HG11  VAL  40          HG11      VAL  40  -0.723  -3.728   2.117
  304   HG12  VAL  40          HG12      VAL  40  -0.416  -4.749   0.714
  305   HG13  VAL  40          HG13      VAL  40  -0.601  -5.475   2.310
  306   HG21  VAL  40          HG21      VAL  40  -3.809  -6.114   0.457
  307   HG22  VAL  40          HG22      VAL  40  -2.610  -6.938   1.455
  308   HG23  VAL  40          HG23      VAL  40  -2.145  -6.265  -0.110
  309    H    ASP  41           H        ASP  41  -3.959  -6.989   3.228
  310    HA   ASP  41           HA       ASP  41  -2.618  -7.553   5.638
  311    HB2  ASP  41           HB2      ASP  41  -4.466  -8.915   4.915
  312    HB3  ASP  41           HB3      ASP  41  -3.643  -9.326   3.424
  313    H    THR  42           H        THR  42  -0.503  -7.149   5.715
  314    HA   THR  42           HA       THR  42   1.116  -7.563   3.336
  315    HB   THR  42           HB       THR  42   2.841  -6.317   4.810
  316    HG1  THR  42           HG1      THR  42   1.942  -6.450   6.814
  317   HG21  THR  42          HG21      THR  42   1.538  -5.308   2.930
  318   HG22  THR  42          HG22      THR  42   1.932  -4.171   4.215
  319   HG23  THR  42          HG23      THR  42   0.305  -4.836   4.100
  320    H    THR  43           H        THR  43   1.201  -9.923   3.535
  321    HA   THR  43           HA       THR  43   3.317 -10.671   5.422
  322    HB   THR  43           HB       THR  43   1.435 -12.024   5.932
  323    HG1  THR  43           HG1      THR  43   3.134 -13.360   6.022
  324   HG21  THR  43          HG21      THR  43   1.255 -12.868   3.042
  325   HG22  THR  43          HG22      THR  43   0.204 -11.670   3.796
  326   HG23  THR  43          HG23      THR  43   0.186 -13.342   4.361
  327    H    SER  44           H        SER  44   2.100 -11.530   2.182
  328    HA   SER  44           HA       SER  44   4.818 -12.190   1.351
  329    HB2  SER  44           HB2      SER  44   3.629 -13.224  -0.602
  330    HB3  SER  44           HB3      SER  44   3.207 -13.895   0.972
  331    HG   SER  44           HG       SER  44   1.272 -13.558   0.098
  332    H    ASP  45           H        ASP  45   2.004 -10.549  -0.037
  333    HA   ASP  45           HA       ASP  45   3.499  -9.494  -2.221
  334    HB2  ASP  45           HB2      ASP  45   1.086 -10.250  -2.260
  335    HB3  ASP  45           HB3      ASP  45   0.690  -8.759  -1.417
  336    H    PHE  46           H        PHE  46   3.199  -8.487   0.888
  337    HA   PHE  46           HA       PHE  46   2.676  -5.806   0.942
  338    HB2  PHE  46           HB2      PHE  46   3.773  -5.727   3.018
  339    HB3  PHE  46           HB3      PHE  46   3.094  -7.336   2.844
  340    HD1  PHE  46           HD1      PHE  46   5.958  -5.538   3.659
  341    HD2  PHE  46           HD2      PHE  46   4.620  -9.100   1.847
  342    HE1  PHE  46           HE1      PHE  46   8.159  -6.555   4.096
  343    HE2  PHE  46           HE2      PHE  46   6.802 -10.165   2.268
  344    HZ   PHE  46           HZ       PHE  46   8.590  -8.882   3.398
  345    H    HIS  47           H        HIS  47   5.354  -7.286  -0.469
  346    HA   HIS  47           HA       HIS  47   7.229  -5.193  -0.419
  347    HB2  HIS  47           HB2      HIS  47   6.866  -7.620  -2.101
  348    HB3  HIS  47           HB3      HIS  47   7.984  -6.375  -2.657
  349    HD1  HIS  47           HD1      HIS  47   9.820  -5.655  -0.772
  350    HD2  HIS  47           HD2      HIS  47   7.975  -9.349  -0.314
  351    HE1  HIS  47           HE1      HIS  47  11.238  -6.918   0.865
  352    HE2  HIS  47           HE2      HIS  47  10.232  -9.226   0.948
  353    H    THR  48           H        THR  48   4.273  -4.930  -1.582
  354    HA   THR  48           HA       THR  48   4.140  -4.140  -4.175
  355    HB   THR  48           HB       THR  48   2.761  -2.847  -1.846
  356    HG1  THR  48           HG1      THR  48   2.705  -5.372  -2.648
  357   HG21  THR  48          HG21      THR  48   1.852  -3.136  -4.703
  358   HG22  THR  48          HG22      THR  48   2.404  -1.642  -3.945
  359   HG23  THR  48          HG23      THR  48   0.925  -2.422  -3.381
  360    H    CYS  49           H        CYS  49   6.166  -2.536  -2.009
  361    HA   CYS  49           HA       CYS  49   5.738   0.136  -2.258
  362    HB2  CYS  49           HB2      CYS  49   8.054   0.512  -1.785
  363    HB3  CYS  49           HB3      CYS  49   7.529  -0.910  -0.898
  364    H    GLN  50           H        GLN  50   7.502  -1.825  -4.707
  365    HA   GLN  50           HA       GLN  50   8.236   0.379  -6.297
  366    HB2  GLN  50           HB2      GLN  50   8.841  -1.172  -7.994
  367    HB3  GLN  50           HB3      GLN  50   9.257  -1.896  -6.463
  368    HG2  GLN  50           HG2      GLN  50   6.789  -2.540  -8.059
  369    HG3  GLN  50           HG3      GLN  50   8.277  -3.482  -8.078
  370   HE21  GLN  50          HE21      GLN  50   8.844  -3.275  -5.301
  371   HE22  GLN  50          HE22      GLN  50   7.651  -4.194  -4.442
  372    H    ASP  51           H        ASP  51   5.292  -1.478  -6.118
  373    HA   ASP  51           HA       ASP  51   4.168  -0.616  -8.591
  374    HB2  ASP  51           HB2      ASP  51   3.360  -2.615  -7.345
  375    HB3  ASP  51           HB3      ASP  51   2.758  -1.559  -6.074
  376    H    LYS  52           H        LYS  52   4.190   0.559  -5.317
  377    HA   LYS  52           HA       LYS  52   2.294   2.666  -5.707
  378    HB2  LYS  52           HB2      LYS  52   4.293   2.045  -3.547
  379    HB3  LYS  52           HB3      LYS  52   3.268   3.470  -3.500
  380    HG2  LYS  52           HG2      LYS  52   2.230   0.653  -3.667
  381    HG3  LYS  52           HG3      LYS  52   2.443   1.548  -2.165
  382    HD2  LYS  52           HD2      LYS  52   0.615   2.250  -4.457
  383    HD3  LYS  52           HD3      LYS  52   0.143   1.724  -2.841
  384    HE2  LYS  52           HE2      LYS  52   1.505   4.311  -3.590
  385    HE3  LYS  52           HE3      LYS  52  -0.142   4.109  -3.002
  386    HZ1  LYS  52           HZ1      LYS  52   2.241   3.434  -1.443
  387    HZ2  LYS  52           HZ2      LYS  52   0.706   3.457  -0.909
  388    HZ3  LYS  52           HZ3      LYS  52   1.445   4.845  -1.320
  389    H    GLY  53           H        GLY  53   5.623   2.248  -6.351
  390    HA2  GLY  53           HA2      GLY  53   6.634   3.990  -7.795
  391    HA3  GLY  53           HA3      GLY  53   5.974   5.165  -6.664
  392    H    GLY  54           H        GLY  54   7.668   2.109  -6.136
  393    HA2  GLY  54           HA2      GLY  54   9.254   3.344  -4.063
  394    HA3  GLY  54           HA3      GLY  54   9.224   1.638  -4.481
  395    H    HIS  55           H        HIS  55  11.176   4.139  -4.289
  396    HA   HIS  55           HA       HIS  55  12.698   3.570  -6.735
  397    HB2  HIS  55           HB2      HIS  55  12.839   5.824  -4.730
  398    HB3  HIS  55           HB3      HIS  55  14.039   5.596  -5.997
  399    HD1  HIS  55           HD1      HIS  55  13.468   6.477  -8.295
  400    HD2  HIS  55           HD2      HIS  55  10.214   6.477  -5.711
  401    HE1  HIS  55           HE1      HIS  55  11.659   7.745  -9.489
  402    HE2  HIS  55           HE2      HIS  55   9.789   7.923  -7.806
  403    H    CYS  56           H        CYS  56  15.172   3.695  -6.308
  404    HA   CYS  56           HA       CYS  56  15.788   2.165  -3.876
  405    HB2  CYS  56           HB2      CYS  56  16.670   1.646  -6.707
  406    HB3  CYS  56           HB3      CYS  56  17.593   1.049  -5.332
  407    H    VAL  57           H        VAL  57  17.090   3.284  -2.633
  408    HA   VAL  57           HA       VAL  57  19.020   5.079  -3.941
  409    HB   VAL  57           HB       VAL  57  18.866   6.587  -2.058
  410   HG11  VAL  57          HG11      VAL  57  16.139   5.895  -3.115
  411   HG12  VAL  57          HG12      VAL  57  17.339   6.903  -3.922
  412   HG13  VAL  57          HG13      VAL  57  16.616   7.436  -2.401
  413   HG21  VAL  57          HG21      VAL  57  17.152   6.281  -0.307
  414   HG22  VAL  57          HG22      VAL  57  18.419   5.056  -0.260
  415   HG23  VAL  57          HG23      VAL  57  16.838   4.664  -0.937
  416    H    SER  58           H        SER  58  21.043   5.109  -3.255
  417    HA   SER  58           HA       SER  58  22.019   2.828  -1.867
  418    HB2  SER  58           HB2      SER  58  24.179   4.362  -2.275
  419    HB3  SER  58           HB3      SER  58  23.449   3.417  -3.555
  420    HG   SER  58           HG       SER  58  23.641   5.438  -4.359
  421    HA   PRO  59           HA       PRO  59  22.559   4.349   2.256
  422    HB2  PRO  59           HB2      PRO  59  25.292   3.939   2.623
  423    HB3  PRO  59           HB3      PRO  59  24.025   2.746   2.909
  424    HG2  PRO  59           HG2      PRO  59  25.823   3.075   0.558
  425    HG3  PRO  59           HG3      PRO  59  25.191   1.592   1.294
  426    HD2  PRO  59           HD2      PRO  59  24.201   2.572  -1.006
  427    HD3  PRO  59           HD3      PRO  59  23.170   1.751   0.183
  428    H    LYS  60           H        LYS  60  24.460   5.592  -0.340
  429    HA   LYS  60           HA       LYS  60  25.531   7.811   1.178
  430    HB2  LYS  60           HB2      LYS  60  25.615   7.191  -1.777
  431    HB3  LYS  60           HB3      LYS  60  26.444   8.540  -1.014
  432    HG2  LYS  60           HG2      LYS  60  26.949   5.617  -0.487
  433    HG3  LYS  60           HG3      LYS  60  27.968   6.700  -1.434
  434    HD2  LYS  60           HD2      LYS  60  27.374   6.921   1.516
  435    HD3  LYS  60           HD3      LYS  60  28.893   6.400   0.791
  436    HE2  LYS  60           HE2      LYS  60  27.636   9.130   0.549
  437    HE3  LYS  60           HE3      LYS  60  29.039   8.714   1.526
  438    HZ1  LYS  60           HZ1      LYS  60  29.758   9.681  -0.492
  439    HZ2  LYS  60           HZ2      LYS  60  28.875   8.665  -1.399
  440    HZ3  LYS  60           HZ3      LYS  60  30.146   8.101  -0.556
  441    H    ILE  61           H        ILE  61  22.607   7.128  -0.387
  442    HA   ILE  61           HA       ILE  61  22.066   9.826  -1.281
  443    HB   ILE  61           HB       ILE  61  20.156   7.505  -0.962
  444   HG12  ILE  61          HG12      ILE  61  22.071   7.070  -2.489
  445   HG13  ILE  61          HG13      ILE  61  20.502   7.008  -3.280
  446   HG21  ILE  61          HG21      ILE  61  19.904  10.040  -2.572
  447   HG22  ILE  61          HG22      ILE  61  19.041   9.671  -1.080
  448   HG23  ILE  61          HG23      ILE  61  18.736   8.720  -2.533
  449   HD11  ILE  61          HD11      ILE  61  20.898   9.271  -4.151
  450   HD12  ILE  61          HD12      ILE  61  22.111   8.104  -4.681
  451   HD13  ILE  61          HD13      ILE  61  22.495   9.254  -3.400
  452    H    ARG  62           H        ARG  62  20.734  11.286  -0.288
  453    HA   ARG  62           HA       ARG  62  19.912  10.590   2.443
  454    HB2  ARG  62           HB2      ARG  62  20.570  13.274   1.229
  455    HB3  ARG  62           HB3      ARG  62  19.749  13.110   2.776
  456    HG2  ARG  62           HG2      ARG  62  21.962  13.394   3.379
  457    HG3  ARG  62           HG3      ARG  62  21.755  11.644   3.439
  458    HD2  ARG  62           HD2      ARG  62  23.843  12.155   2.353
  459    HD3  ARG  62           HD3      ARG  62  22.719  11.494   1.165
  460    HE   ARG  62           HE       ARG  62  22.637  14.348   1.247
  461   HH11  ARG  62          HH11      ARG  62  24.450  11.625  -0.019
  462   HH12  ARG  62          HH12      ARG  62  25.105  12.527  -1.347
  463   HH21  ARG  62          HH21      ARG  62  23.485  15.523  -0.503
  464   HH22  ARG  62          HH22      ARG  62  24.552  14.745  -1.629
  465    H    CYS  63           H        CYS  63  18.044   9.622   1.928
  466    HA   CYS  63           HA       CYS  63  15.872  11.348   0.961
  467    HB2  CYS  63           HB2      CYS  63  16.511   9.857  -0.875
  468    HB3  CYS  63           HB3      CYS  63  16.399   8.465   0.194
  469    H    LEU  64           H        LEU  64  13.794  10.827   1.840
  470    HA   LEU  64           HA       LEU  64  13.909   9.472   4.391
  471    HB2  LEU  64           HB2      LEU  64  11.609  10.642   2.816
  472    HB3  LEU  64           HB3      LEU  64  11.410   9.867   4.373
  473    HG   LEU  64           HG       LEU  64  11.390  12.194   4.780
  474   HD11  LEU  64          HD11      LEU  64  13.313  12.555   6.204
  475   HD12  LEU  64          HD12      LEU  64  14.171  11.231   5.415
  476   HD13  LEU  64          HD13      LEU  64  12.724  10.901   6.368
  477   HD21  LEU  64          HD21      LEU  64  13.908  12.396   3.136
  478   HD22  LEU  64          HD22      LEU  64  13.167  13.716   4.039
  479   HD23  LEU  64          HD23      LEU  64  12.308  12.983   2.685
  480    H    GLU  65           H        GLU  65  14.566   7.475   3.824
  481    HA   GLU  65           HA       GLU  65  13.192   6.031   1.731
  482    HB2  GLU  65           HB2      GLU  65  15.062   4.283   2.325
  483    HB3  GLU  65           HB3      GLU  65  15.411   5.701   1.355
  484    HG2  GLU  65           HG2      GLU  65  17.172   5.357   2.926
  485    HG3  GLU  65           HG3      GLU  65  16.306   6.823   3.352
  486    H    GLU  66           H        GLU  66  13.039   3.627   2.079
  487    HA   GLU  66           HA       GLU  66  12.368   1.768   3.192
  488    HB2  GLU  66           HB2      GLU  66  11.882   3.492   5.622
  489    HB3  GLU  66           HB3      GLU  66  11.791   1.735   5.555
  490    HG2  GLU  66           HG2      GLU  66  14.210   1.804   4.785
  491    HG3  GLU  66           HG3      GLU  66  14.201   3.488   5.294
  492    H    GLN  67           H        GLN  67  10.890   2.313   1.455
  493    HA   GLN  67           HA       GLN  67   8.235   3.172   2.126
  494    HB2  GLN  67           HB2      GLN  67   9.262   3.267  -0.174
  495    HB3  GLN  67           HB3      GLN  67   9.100   1.514  -0.246
  496    HG2  GLN  67           HG2      GLN  67   6.760   1.622  -0.193
  497    HG3  GLN  67           HG3      GLN  67   6.768   3.306   0.320
  498   HE21  GLN  67          HE21      GLN  67   5.303   2.367  -1.830
  499   HE22  GLN  67          HE22      GLN  67   5.927   3.110  -3.260
  500    H    LEU  68           H        LEU  68   9.406   0.038   0.933
  501    HA   LEU  68           HA       LEU  68   8.545  -1.446   3.168
  502    HB2  LEU  68           HB2      LEU  68   6.430  -0.794   1.540
  503    HB3  LEU  68           HB3      LEU  68   6.914  -2.353   0.900
  504    HG   LEU  68           HG       LEU  68   5.351  -3.007   2.432
  505   HD11  LEU  68          HD11      LEU  68   7.829  -2.846   4.135
  506   HD12  LEU  68          HD12      LEU  68   7.414  -4.140   3.013
  507   HD13  LEU  68          HD13      LEU  68   6.425  -3.862   4.446
  508   HD21  LEU  68          HD21      LEU  68   6.258  -0.774   4.240
  509   HD22  LEU  68          HD22      LEU  68   4.980  -1.930   4.615
  510   HD23  LEU  68          HD23      LEU  68   4.789  -0.812   3.265
  511    H    GLY  69           H        GLY  69  10.873  -1.920   2.538
  512    HA2  GLY  69           HA2      GLY  69  11.399  -4.409   1.935
  513    HA3  GLY  69           HA3      GLY  69  11.018  -3.838   0.322
  514    H    LEU  70           H        LEU  70  13.359  -5.020   0.986
  515    HA   LEU  70           HA       LEU  70  15.352  -2.863   0.974
  516    HB2  LEU  70           HB2      LEU  70  15.347  -4.863   2.625
  517    HB3  LEU  70           HB3      LEU  70  15.867  -5.813   1.256
  518    HG   LEU  70           HG       LEU  70  17.382  -3.422   2.314
  519   HD11  LEU  70          HD11      LEU  70  17.808  -6.357   2.848
  520   HD12  LEU  70          HD12      LEU  70  17.268  -5.151   4.015
  521   HD13  LEU  70          HD13      LEU  70  18.893  -5.055   3.336
  522   HD21  LEU  70          HD21      LEU  70  19.241  -4.323   1.028
  523   HD22  LEU  70          HD22      LEU  70  17.862  -3.986  -0.020
  524   HD23  LEU  70          HD23      LEU  70  18.223  -5.645   0.458
  525    H    CYS  71           H        CYS  71  16.575  -2.557  -0.835
  526    HA   CYS  71           HA       CYS  71  15.487  -3.578  -3.273
  527    HB2  CYS  71           HB2      CYS  71  17.657  -1.618  -2.604
  528    HB3  CYS  71           HB3      CYS  71  17.377  -2.134  -4.262
  529    HA   PRO  72           HA       PRO  72  18.051  -6.911  -4.608
  530    HB2  PRO  72           HB2      PRO  72  19.126  -5.065  -6.709
  531    HB3  PRO  72           HB3      PRO  72  18.537  -6.730  -6.868
  532    HG2  PRO  72           HG2      PRO  72  17.005  -4.692  -7.606
  533    HG3  PRO  72           HG3      PRO  72  16.306  -6.089  -6.765
  534    HD2  PRO  72           HD2      PRO  72  16.860  -3.345  -5.749
  535    HD3  PRO  72           HD3      PRO  72  15.581  -4.487  -5.289
  536    H    LEU  73           H        LEU  73  19.756  -3.787  -4.843
  537    HA   LEU  73           HA       LEU  73  22.299  -4.896  -4.214
  538    HB2  LEU  73           HB2      LEU  73  21.298  -2.059  -4.088
  539    HB3  LEU  73           HB3      LEU  73  22.974  -2.530  -3.850
  540    HG   LEU  73           HG       LEU  73  21.449  -3.147  -6.347
  541   HD11  LEU  73          HD11      LEU  73  22.612  -1.258  -7.379
  542   HD12  LEU  73          HD12      LEU  73  23.259  -0.815  -5.800
  543   HD13  LEU  73          HD13      LEU  73  21.523  -0.738  -6.093
  544   HD21  LEU  73          HD21      LEU  73  23.395  -4.538  -5.967
  545   HD22  LEU  73          HD22      LEU  73  24.385  -3.099  -5.714
  546   HD23  LEU  73          HD23      LEU  73  23.688  -3.422  -7.302
  547    H    LYS  74           H        LYS  74  23.299  -5.122  -2.365
  548    HA   LYS  74           HA       LYS  74  21.666  -5.956  -0.254
  549    HB2  LYS  74           HB2      LYS  74  24.640  -5.489  -0.305
  550    HB3  LYS  74           HB3      LYS  74  23.794  -6.327   0.985
  551    HG2  LYS  74           HG2      LYS  74  23.648  -7.250  -1.869
  552    HG3  LYS  74           HG3      LYS  74  24.952  -7.741  -0.790
  553    HD2  LYS  74           HD2      LYS  74  23.511  -9.475  -0.444
  554    HD3  LYS  74           HD3      LYS  74  22.924  -8.367   0.794
  555    HE2  LYS  74           HE2      LYS  74  21.178  -7.591  -0.762
  556    HE3  LYS  74           HE3      LYS  74  21.761  -8.733  -1.967
  557    HZ1  LYS  74           HZ1      LYS  74  19.876  -9.573  -0.727
  558    HZ2  LYS  74           HZ2      LYS  74  20.703  -9.471   0.667
  559    HZ3  LYS  74           HZ3      LYS  74  21.188 -10.509  -0.488
  560    H    ARG  75           H        ARG  75  23.272  -2.893  -0.675
  561    HA   ARG  75           HA       ARG  75  22.579  -2.201   2.097
  562    HB2  ARG  75           HB2      ARG  75  24.207  -0.246   1.685
  563    HB3  ARG  75           HB3      ARG  75  24.874  -1.847   1.953
  564    HG2  ARG  75           HG2      ARG  75  24.394  -0.909  -0.836
  565    HG3  ARG  75           HG3      ARG  75  25.800  -0.325   0.053
  566    HD2  ARG  75           HD2      ARG  75  26.573  -2.577   0.400
  567    HD3  ARG  75           HD3      ARG  75  25.111  -3.235  -0.327
  568    HE   ARG  75           HE       ARG  75  26.072  -1.793  -2.347
  569   HH11  ARG  75          HH11      ARG  75  27.675  -3.990  -0.151
  570   HH12  ARG  75          HH12      ARG  75  28.880  -4.472  -1.303
  571   HH21  ARG  75          HH21      ARG  75  27.645  -2.442  -3.888
  572   HH22  ARG  75          HH22      ARG  75  28.858  -3.596  -3.432
  573    H    TRP  76           H        TRP  76  21.082  -2.033  -0.637
  574    HA   TRP  76           HA       TRP  76  20.494   0.833  -0.580
  575    HB2  TRP  76           HB2      TRP  76  19.922  -1.311  -2.616
  576    HB3  TRP  76           HB3      TRP  76  19.242   0.313  -2.720
  577    HD1  TRP  76           HD1      TRP  76  22.828  -0.931  -1.971
  578    HE1  TRP  76           HE1      TRP  76  24.448   0.339  -3.490
  579    HE3  TRP  76           HE3      TRP  76  19.443   1.896  -4.501
  580    HZ2  TRP  76           HZ2      TRP  76  24.305   2.320  -5.484
  581    HZ3  TRP  76           HZ3      TRP  76  20.258   3.501  -6.169
  582    HH2  TRP  76           HH2      TRP  76  22.646   3.716  -6.633
  583    H    THR  77           H        THR  77  18.390   1.609  -0.531
  584    HA   THR  77           HA       THR  77  16.501  -0.216   0.808
  585    HB   THR  77           HB       THR  77  16.771   2.749   1.315
  586    HG1  THR  77           HG1      THR  77  17.617   1.691   3.431
  587   HG21  THR  77          HG21      THR  77  14.579   1.791   1.841
  588   HG22  THR  77          HG22      THR  77  15.440   2.261   3.306
  589   HG23  THR  77          HG23      THR  77  15.355   0.562   2.841
  590    H    CYS  78           H        CYS  78  14.455  -0.281   0.049
  591    HA   CYS  78           HA       CYS  78  13.710   1.139  -2.316
  592    HB2  CYS  78           HB2      CYS  78  12.844  -1.127  -1.757
  593    HB3  CYS  78           HB3      CYS  78  11.993  -0.447  -0.377
  594    H    CYS  79           H        CYS  79  13.329   3.256  -2.249
  595    HA   CYS  79           HA       CYS  79  12.307   4.416   0.252
  596    HB2  CYS  79           HB2      CYS  79  14.435   5.294  -0.325
  597    HB3  CYS  79           HB3      CYS  79  13.939   5.613  -1.990
  598    H    LYS  80           H        LYS  80  10.590   5.758   0.286
  599    HA   LYS  80           HA       LYS  80   8.805   5.499  -1.995
  600    HB2  LYS  80           HB2      LYS  80   8.216   5.135   0.520
  601    HB3  LYS  80           HB3      LYS  80   8.116   6.890   0.574
  602    HG2  LYS  80           HG2      LYS  80   6.368   6.910  -1.051
  603    HG3  LYS  80           HG3      LYS  80   6.577   5.186  -1.356
  604    HD2  LYS  80           HD2      LYS  80   4.698   5.267   0.003
  605    HD3  LYS  80           HD3      LYS  80   6.003   4.879   1.124
  606    HE2  LYS  80           HE2      LYS  80   4.913   7.631   0.640
  607    HE3  LYS  80           HE3      LYS  80   4.424   6.587   1.969
  608    HZ1  LYS  80           HZ1      LYS  80   6.051   8.031   2.789
  609    HZ2  LYS  80           HZ2      LYS  80   7.054   7.794   1.536
  610    HZ3  LYS  80           HZ3      LYS  80   6.812   6.602   2.614
  611    H    GLU  81           H        GLU  81   9.517   6.893  -3.487
  612    HA   GLU  81           HA       GLU  81   9.838   8.799  -4.623
  613    HB2  GLU  81           HB2      GLU  81   7.971   9.764  -2.493
  614    HB3  GLU  81           HB3      GLU  81   8.620  10.866  -3.703
  615    HG2  GLU  81           HG2      GLU  81   7.027   8.376  -4.241
  616    HG3  GLU  81           HG3      GLU  81   6.465  10.038  -4.370
  617    H    ILE  82           H        ILE  82  11.636   9.733  -4.831
  618    HA   ILE  82           HA       ILE  82  13.250  10.497  -2.540
  619    HB   ILE  82           HB       ILE  82  13.913  10.706  -5.487
  620   HG12  ILE  82          HG12      ILE  82  14.672   8.529  -3.524
  621   HG13  ILE  82          HG13      ILE  82  13.405   8.377  -4.738
  622   HG21  ILE  82          HG21      ILE  82  15.667  10.790  -3.031
  623   HG22  ILE  82          HG22      ILE  82  15.297  12.140  -4.103
  624   HG23  ILE  82          HG23      ILE  82  16.245  10.777  -4.697
  625   HD11  ILE  82          HD11      ILE  82  15.057   8.659  -6.502
  626   HD12  ILE  82          HD12      ILE  82  15.466   7.304  -5.449
  627   HD13  ILE  82          HD13      ILE  82  16.326   8.836  -5.292
  Start of MODEL    9
    1    H1   LEU   1           H1       LEU   1 -19.037   3.295  -4.313
    2    H2   LEU   1           H2       LEU   1 -18.321   3.753  -5.697
    3    H3   LEU   1           H3       LEU   1 -18.625   4.853  -4.539
    4    HA   LEU   1           HA       LEU   1 -17.080   3.827  -3.051
    5    HB2  LEU   1           HB2      LEU   1 -17.512   1.580  -4.382
    6    HB3  LEU   1           HB3      LEU   1 -16.163   2.142  -5.339
    7    HG   LEU   1           HG       LEU   1 -14.747   2.180  -3.355
    8   HD11  LEU   1          HD11      LEU   1 -15.535   1.082  -1.290
    9   HD12  LEU   1          HD12      LEU   1 -17.161   1.024  -1.970
   10   HD13  LEU   1          HD13      LEU   1 -16.400   2.577  -1.635
   11   HD21  LEU   1          HD21      LEU   1 -14.565  -0.245  -3.078
   12   HD22  LEU   1          HD22      LEU   1 -14.784   0.208  -4.767
   13   HD23  LEU   1          HD23      LEU   1 -16.139  -0.444  -3.846
   14    HA   PRO   2           HA       PRO   2 -14.443   6.943  -4.773
   15    HB2  PRO   2           HB2      PRO   2 -12.259   5.661  -3.213
   16    HB3  PRO   2           HB3      PRO   2 -12.846   7.322  -3.167
   17    HG2  PRO   2           HG2      PRO   2 -13.421   5.643  -1.193
   18    HG3  PRO   2           HG3      PRO   2 -14.647   6.793  -1.794
   19    HD2  PRO   2           HD2      PRO   2 -14.350   3.863  -2.369
   20    HD3  PRO   2           HD3      PRO   2 -15.818   4.792  -2.015
   21    H    ARG   3           H        ARG   3 -12.721   7.247  -6.228
   22    HA   ARG   3           HA       ARG   3 -12.852   5.643  -8.409
   23    HB2  ARG   3           HB2      ARG   3 -11.945   7.930  -8.426
   24    HB3  ARG   3           HB3      ARG   3 -10.487   7.351  -7.633
   25    HG2  ARG   3           HG2      ARG   3 -10.196   5.800  -9.628
   26    HG3  ARG   3           HG3      ARG   3 -11.434   6.774 -10.421
   27    HD2  ARG   3           HD2      ARG   3 -10.066   8.770 -10.119
   28    HD3  ARG   3           HD3      ARG   3  -8.839   7.816  -9.291
   29    HE   ARG   3           HE       ARG   3  -9.563   7.465 -12.131
   30   HH11  ARG   3          HH11      ARG   3  -7.218   7.357  -9.529
   31   HH12  ARG   3          HH12      ARG   3  -5.873   7.080 -10.588
   32   HH21  ARG   3          HH21      ARG   3  -7.802   7.048 -13.516
   33   HH22  ARG   3          HH22      ARG   3  -6.210   6.866 -12.853
   34    H    ASP   4           H        ASP   4 -10.190   5.531  -6.035
   35    HA   ASP   4           HA       ASP   4  -9.126   3.253  -7.555
   36    HB2  ASP   4           HB2      ASP   4  -7.759   5.181  -5.691
   37    HB3  ASP   4           HB3      ASP   4  -6.987   3.728  -6.318
   38    H    THR   5           H        THR   5 -11.104   3.558  -5.078
   39    HA   THR   5           HA       THR   5  -9.842   1.897  -3.133
   40    HB   THR   5           HB       THR   5 -12.778   2.479  -3.558
   41    HG1  THR   5           HG1      THR   5 -11.772   3.628  -1.386
   42   HG21  THR   5          HG21      THR   5 -13.068   1.723  -1.254
   43   HG22  THR   5          HG22      THR   5 -11.353   1.319  -1.161
   44   HG23  THR   5          HG23      THR   5 -12.411   0.428  -2.256
   45    H    SER   6           H        SER   6 -12.145   1.327  -5.777
   46    HA   SER   6           HA       SER   6 -12.371  -1.463  -5.354
   47    HB2  SER   6           HB2      SER   6 -13.989  -0.109  -6.661
   48    HB3  SER   6           HB3      SER   6 -12.779   0.077  -7.925
   49    HG   SER   6           HG       SER   6 -12.981  -2.511  -7.386
   50    H    ARG   7           H        ARG   7  -9.997   0.533  -6.849
   51    HA   ARG   7           HA       ARG   7  -8.669  -1.599  -8.254
   52    HB2  ARG   7           HB2      ARG   7  -8.406   0.635  -9.127
   53    HB3  ARG   7           HB3      ARG   7  -7.831   1.229  -7.575
   54    HG2  ARG   7           HG2      ARG   7  -6.185  -0.946  -8.488
   55    HG3  ARG   7           HG3      ARG   7  -6.296   0.310  -9.724
   56    HD2  ARG   7           HD2      ARG   7  -5.641   0.893  -6.844
   57    HD3  ARG   7           HD3      ARG   7  -4.407   0.505  -8.039
   58    HE   ARG   7           HE       ARG   7  -6.221   2.765  -8.528
   59   HH11  ARG   7          HH11      ARG   7  -2.991   1.537  -7.939
   60   HH12  ARG   7          HH12      ARG   7  -2.219   3.059  -8.245
   61   HH21  ARG   7          HH21      ARG   7  -5.210   4.759  -8.936
   62   HH22  ARG   7          HH22      ARG   7  -3.477   4.892  -8.819
   63    H    CYS   8           H        CYS   8  -8.188   0.211  -5.260
   64    HA   CYS   8           HA       CYS   8  -5.667  -0.942  -4.689
   65    HB2  CYS   8           HB2      CYS   8  -6.876   1.251  -3.766
   66    HB3  CYS   8           HB3      CYS   8  -7.351   0.136  -2.499
   67    H    VAL   9           H        VAL   9  -8.961  -1.709  -3.729
   68    HA   VAL   9           HA       VAL   9  -8.503  -3.247  -1.488
   69    HB   VAL   9           HB       VAL   9 -10.726  -2.550  -2.153
   70   HG11  VAL   9          HG11      VAL   9 -11.928  -3.619  -3.980
   71   HG12  VAL   9          HG12      VAL   9 -10.482  -4.539  -4.395
   72   HG13  VAL   9          HG13      VAL   9 -10.483  -2.781  -4.555
   73   HG21  VAL   9          HG21      VAL   9 -10.579  -4.457  -0.650
   74   HG22  VAL   9          HG22      VAL   9 -10.499  -5.557  -2.026
   75   HG23  VAL   9          HG23      VAL   9 -11.967  -4.627  -1.726
   76    H    GLY  10           H        GLY  10  -8.149  -4.183  -4.855
   77    HA2  GLY  10           HA2      GLY  10  -7.658  -6.957  -4.116
   78    HA3  GLY  10           HA3      GLY  10  -7.674  -6.300  -5.745
   79    H    TYR  11           H        TYR  11  -5.854  -4.080  -4.689
   80    HA   TYR  11           HA       TYR  11  -3.416  -5.565  -5.281
   81    HB2  TYR  11           HB2      TYR  11  -4.137  -2.655  -5.453
   82    HB3  TYR  11           HB3      TYR  11  -2.469  -3.201  -5.546
   83    HD1  TYR  11           HD1      TYR  11  -2.792  -5.690  -7.135
   84    HD2  TYR  11           HD2      TYR  11  -4.576  -1.858  -7.592
   85    HE1  TYR  11           HE1      TYR  11  -3.052  -6.107  -9.538
   86    HE2  TYR  11           HE2      TYR  11  -4.846  -2.265 -10.001
   87    HH   TYR  11           HH       TYR  11  -3.705  -3.708 -11.760
   88    H    HIS  12           H        HIS  12  -4.250  -2.808  -3.149
   89    HA   HIS  12           HA       HIS  12  -2.017  -3.677  -1.426
   90    HB2  HIS  12           HB2      HIS  12  -2.898  -0.834  -1.355
   91    HB3  HIS  12           HB3      HIS  12  -1.291  -1.515  -1.147
   92    HD1  HIS  12           HD1      HIS  12  -3.041   0.571  -3.343
   93    HD2  HIS  12           HD2      HIS  12  -0.403  -2.589  -3.900
   94    HE1  HIS  12           HE1      HIS  12  -2.200   0.804  -5.698
   95    HE2  HIS  12           HE2      HIS  12  -0.421  -0.965  -5.921
   96    H    GLY  13           H        GLY  13  -5.132  -3.997  -1.418
   97    HA2  GLY  13           HA2      GLY  13  -6.189  -4.803   0.564
   98    HA3  GLY  13           HA3      GLY  13  -5.218  -3.675   1.497
   99    H    TYR  14           H        TYR  14  -7.359  -3.241   2.482
  100    HA   TYR  14           HA       TYR  14  -9.311  -1.882   0.821
  101    HB2  TYR  14           HB2      TYR  14 -10.600  -1.723   2.980
  102    HB3  TYR  14           HB3      TYR  14 -10.227  -3.359   2.456
  103    HD1  TYR  14           HD1      TYR  14  -9.115  -4.838   3.888
  104    HD2  TYR  14           HD2      TYR  14  -9.101  -0.680   4.770
  105    HE1  TYR  14           HE1      TYR  14  -8.111  -5.311   6.080
  106    HE2  TYR  14           HE2      TYR  14  -8.096  -1.138   6.965
  107    HH   TYR  14           HH       TYR  14  -6.851  -4.244   7.790
  108    H    CYS  15           H        CYS  15 -10.339   0.141   2.146
  109    HA   CYS  15           HA       CYS  15  -8.060   1.957   2.564
  110    HB2  CYS  15           HB2      CYS  15 -10.592   2.591   1.043
  111    HB3  CYS  15           HB3      CYS  15  -9.232   3.674   1.304
  112    H    ILE  16           H        ILE  16  -8.259   2.097   4.776
  113    HA   ILE  16           HA       ILE  16 -10.831   2.920   5.885
  114    HB   ILE  16           HB       ILE  16  -9.708   2.760   8.101
  115   HG12  ILE  16          HG12      ILE  16  -7.414   1.651   6.475
  116   HG13  ILE  16          HG13      ILE  16  -7.399   3.140   7.407
  117   HG21  ILE  16          HG21      ILE  16 -11.026   0.932   7.315
  118   HG22  ILE  16          HG22      ILE  16  -9.588   0.286   8.105
  119   HG23  ILE  16          HG23      ILE  16  -9.688   0.323   6.344
  120   HD11  ILE  16          HD11      ILE  16  -6.240   1.360   8.574
  121   HD12  ILE  16          HD12      ILE  16  -7.694   0.363   8.529
  122   HD13  ILE  16          HD13      ILE  16  -7.679   1.859   9.463
  123    H    ARG  17           H        ARG  17 -10.422   4.664   7.781
  124    HA   ARG  17           HA       ARG  17  -9.789   6.996   6.231
  125    HB2  ARG  17           HB2      ARG  17 -11.747   6.965   7.695
  126    HB3  ARG  17           HB3      ARG  17 -10.713   6.740   9.100
  127    HG2  ARG  17           HG2      ARG  17  -9.695   8.932   8.694
  128    HG3  ARG  17           HG3      ARG  17 -10.753   9.156   7.300
  129    HD2  ARG  17           HD2      ARG  17 -12.706   9.061   8.740
  130    HD3  ARG  17           HD3      ARG  17 -11.682   8.756  10.141
  131    HE   ARG  17           HE       ARG  17 -10.751  11.108   9.103
  132   HH11  ARG  17          HH11      ARG  17 -13.854   9.954  10.234
  133   HH12  ARG  17          HH12      ARG  17 -14.396  11.524  10.741
  134   HH21  ARG  17          HH21      ARG  17 -11.435  13.165   9.813
  135   HH22  ARG  17          HH22      ARG  17 -13.009  13.350  10.519
  136    H    SER  18           H        SER  18  -8.097   5.115   8.632
  137    HA   SER  18           HA       SER  18  -6.011   7.170   8.650
  138    HB2  SER  18           HB2      SER  18  -7.394   7.473  10.659
  139    HB3  SER  18           HB3      SER  18  -7.098   5.811  11.119
  140    HG   SER  18           HG       SER  18  -5.426   8.034  11.240
  141    H    LYS  19           H        LYS  19  -4.098   6.179  10.055
  142    HA   LYS  19           HA       LYS  19  -3.239   3.908   8.482
  143    HB2  LYS  19           HB2      LYS  19  -1.720   5.534  10.525
  144    HB3  LYS  19           HB3      LYS  19  -1.035   4.442   9.335
  145    HG2  LYS  19           HG2      LYS  19  -0.671   6.617   8.569
  146    HG3  LYS  19           HG3      LYS  19  -1.941   5.962   7.557
  147    HD2  LYS  19           HD2      LYS  19  -3.595   7.199   8.867
  148    HD3  LYS  19           HD3      LYS  19  -2.315   7.829   9.903
  149    HE2  LYS  19           HE2      LYS  19  -2.585   8.313   6.942
  150    HE3  LYS  19           HE3      LYS  19  -3.037   9.451   8.208
  151    HZ1  LYS  19           HZ1      LYS  19  -0.893  10.000   7.412
  152    HZ2  LYS  19           HZ2      LYS  19  -0.335   8.488   7.606
  153    HZ3  LYS  19           HZ3      LYS  19  -0.699   9.389   8.910
  154    H    VAL  20           H        VAL  20  -5.126   3.899  10.828
  155    HA   VAL  20           HA       VAL  20  -3.910   2.416  12.947
  156    HB   VAL  20           HB       VAL  20  -6.849   2.286  12.349
  157   HG11  VAL  20          HG11      VAL  20  -6.006   0.984  14.233
  158   HG12  VAL  20          HG12      VAL  20  -7.041   2.302  14.786
  159   HG13  VAL  20          HG13      VAL  20  -5.288   2.438  14.927
  160   HG21  VAL  20          HG21      VAL  20  -7.175   4.413  13.462
  161   HG22  VAL  20          HG22      VAL  20  -6.160   4.610  12.034
  162   HG23  VAL  20          HG23      VAL  20  -5.431   4.609  13.640
  163    H    CYS  21           H        CYS  21  -3.358   1.250  10.365
  164    HA   CYS  21           HA       CYS  21  -4.895  -0.980   9.725
  165    HB2  CYS  21           HB2      CYS  21  -1.893  -0.720   9.505
  166    HB3  CYS  21           HB3      CYS  21  -2.940  -1.754   8.534
  167    HA   PRO  22           HA       PRO  22  -4.037  -3.689  13.195
  168    HB2  PRO  22           HB2      PRO  22  -5.237  -5.893  12.170
  169    HB3  PRO  22           HB3      PRO  22  -6.155  -4.544  12.848
  170    HG2  PRO  22           HG2      PRO  22  -5.563  -5.187   9.989
  171    HG3  PRO  22           HG3      PRO  22  -7.078  -4.625  10.719
  172    HD2  PRO  22           HD2      PRO  22  -5.376  -2.977   9.390
  173    HD3  PRO  22           HD3      PRO  22  -6.402  -2.427  10.729
  174    H    LYS  23           H        LYS  23  -3.232  -6.168  13.202
  175    HA   LYS  23           HA       LYS  23  -1.080  -6.321  11.210
  176    HB2  LYS  23           HB2      LYS  23  -1.075  -7.378  14.038
  177    HB3  LYS  23           HB3      LYS  23   0.277  -7.428  12.913
  178    HG2  LYS  23           HG2      LYS  23  -0.930  -5.039  14.275
  179    HG3  LYS  23           HG3      LYS  23   0.724  -5.644  14.380
  180    HD2  LYS  23           HD2      LYS  23   1.163  -4.995  12.108
  181    HD3  LYS  23           HD3      LYS  23  -0.534  -4.574  11.864
  182    HE2  LYS  23           HE2      LYS  23   0.727  -2.556  12.174
  183    HE3  LYS  23           HE3      LYS  23  -0.299  -2.812  13.584
  184    HZ1  LYS  23           HZ1      LYS  23   1.921  -2.143  14.189
  185    HZ2  LYS  23           HZ2      LYS  23   2.565  -3.434  13.440
  186    HZ3  LYS  23           HZ3      LYS  23   1.620  -3.644  14.747
  187    HA   PRO  24           HA       PRO  24   0.266  -7.486  10.402
  188    HB2  PRO  24           HB2      PRO  24   0.794  -8.966   8.252
  189    HB3  PRO  24           HB3      PRO  24   1.195  -9.540   9.875
  190    HG2  PRO  24           HG2      PRO  24  -1.077 -10.297   8.094
  191    HG3  PRO  24           HG3      PRO  24  -0.117 -11.316   9.179
  192    HD2  PRO  24           HD2      PRO  24  -2.629 -10.268   9.754
  193    HD3  PRO  24           HD3      PRO  24  -1.471 -10.859  10.957
  194    H    PHE  25           H        PHE  25  -0.642  -5.567   9.671
  195    HA   PHE  25           HA       PHE  25  -1.344  -5.531   6.841
  196    HB2  PHE  25           HB2      PHE  25  -3.074  -4.347   9.026
  197    HB3  PHE  25           HB3      PHE  25  -3.163  -3.809   7.358
  198    HD1  PHE  25           HD1      PHE  25  -4.781  -4.728   6.040
  199    HD2  PHE  25           HD2      PHE  25  -3.304  -6.966   9.343
  200    HE1  PHE  25           HE1      PHE  25  -6.446  -6.481   5.594
  201    HE2  PHE  25           HE2      PHE  25  -4.967  -8.722   8.901
  202    HZ   PHE  25           HZ       PHE  25  -6.532  -8.473   7.027
  203    H    ALA  26           H        ALA  26  -0.698  -3.630   5.822
  204    HA   ALA  26           HA       ALA  26   0.779  -1.771   7.576
  205    HB1  ALA  26           HB1      ALA  26   2.481  -1.517   5.915
  206    HB2  ALA  26           HB2      ALA  26   1.570  -2.488   4.761
  207    HB3  ALA  26           HB3      ALA  26   2.255  -3.245   6.199
  208    H    ALA  27           H        ALA  27   0.365   0.327   7.377
  209    HA   ALA  27           HA       ALA  27  -1.594   1.439   5.733
  210    HB1  ALA  27           HB1      ALA  27  -0.860   2.537   7.761
  211    HB2  ALA  27           HB2      ALA  27  -0.574   3.607   6.387
  212    HB3  ALA  27           HB3      ALA  27   0.768   2.722   7.109
  213    H    PHE  28           H        PHE  28  -1.324   0.893   3.610
  214    HA   PHE  28           HA       PHE  28   1.220   1.464   2.311
  215    HB2  PHE  28           HB2      PHE  28  -0.916  -0.457   1.922
  216    HB3  PHE  28           HB3      PHE  28  -0.574   0.405   0.431
  217    HD1  PHE  28           HD1      PHE  28   2.156   0.766   0.211
  218    HD2  PHE  28           HD2      PHE  28   0.117  -2.472   2.050
  219    HE1  PHE  28           HE1      PHE  28   4.106  -0.687  -0.197
  220    HE2  PHE  28           HE2      PHE  28   2.049  -3.934   1.651
  221    HZ   PHE  28           HZ       PHE  28   4.055  -3.040   0.528
  222    H    GLY  29           H        GLY  29   1.074   3.684   2.359
  223    HA2  GLY  29           HA2      GLY  29   0.587   5.761   1.553
  224    HA3  GLY  29           HA3      GLY  29   0.325   4.922   0.039
  225    H    THR  30           H        THR  30  -1.387   5.816  -0.787
  226    HA   THR  30           HA       THR  30  -3.906   5.582   0.675
  227    HB   THR  30           HB       THR  30  -4.644   7.782  -0.200
  228    HG1  THR  30           HG1      THR  30  -2.156   8.752  -0.780
  229   HG21  THR  30          HG21      THR  30  -3.761   7.815   2.039
  230   HG22  THR  30          HG22      THR  30  -3.154   9.248   1.203
  231   HG23  THR  30          HG23      THR  30  -2.104   7.848   1.436
  232    H    CYS  31           H        CYS  31  -5.598   4.898  -0.677
  233    HA   CYS  31           HA       CYS  31  -4.810   3.930  -3.253
  234    HB2  CYS  31           HB2      CYS  31  -7.219   3.158  -3.338
  235    HB3  CYS  31           HB3      CYS  31  -6.236   2.506  -2.033
  236    H    SER  32           H        SER  32  -7.692   5.844  -2.374
  237    HA   SER  32           HA       SER  32  -7.485   7.093  -5.028
  238    HB2  SER  32           HB2      SER  32  -9.552   5.709  -4.340
  239    HB3  SER  32           HB3      SER  32  -9.948   7.064  -3.287
  240    HG   SER  32           HG       SER  32  -9.363   8.036  -5.693
  241    H    TRP  33           H        TRP  33  -9.022   8.003  -1.962
  242    HA   TRP  33           HA       TRP  33  -8.039  10.717  -2.302
  243    HB2  TRP  33           HB2      TRP  33  -9.689   9.768   0.027
  244    HB3  TRP  33           HB3      TRP  33  -9.619  11.371  -0.693
  245    HD1  TRP  33           HD1      TRP  33 -12.182   9.193  -0.202
  246    HE1  TRP  33           HE1      TRP  33 -13.834   8.958  -2.150
  247    HE3  TRP  33           HE3      TRP  33  -9.268  11.041  -3.987
  248    HZ2  TRP  33           HZ2      TRP  33 -13.895   9.456  -4.914
  249    HZ3  TRP  33           HZ3      TRP  33 -10.218  11.108  -6.260
  250    HH2  TRP  33           HH2      TRP  33 -12.475  10.338  -6.708
  251    H    ARG  34           H        ARG  34  -6.616  11.689  -0.902
  252    HA   ARG  34           HA       ARG  34  -4.721  10.016   0.382
  253    HB2  ARG  34           HB2      ARG  34  -4.036  12.110  -0.595
  254    HB3  ARG  34           HB3      ARG  34  -5.143  13.004   0.435
  255    HG2  ARG  34           HG2      ARG  34  -3.136  11.359   1.825
  256    HG3  ARG  34           HG3      ARG  34  -2.532  12.740   0.925
  257    HD2  ARG  34           HD2      ARG  34  -4.655  12.796   3.059
  258    HD3  ARG  34           HD3      ARG  34  -2.992  13.353   3.236
  259    HE   ARG  34           HE       ARG  34  -4.262  14.693   1.086
  260   HH11  ARG  34          HH11      ARG  34  -4.150  14.608   4.583
  261   HH12  ARG  34          HH12      ARG  34  -4.636  16.261   4.767
  262   HH21  ARG  34          HH21      ARG  34  -4.894  16.879   1.331
  263   HH22  ARG  34          HH22      ARG  34  -5.055  17.551   2.921
  264    H    GLN  35           H        GLN  35  -7.562  11.606   1.364
  265    HA   GLN  35           HA       GLN  35  -7.318  11.817   4.113
  266    HB2  GLN  35           HB2      GLN  35  -9.807  10.937   2.652
  267    HB3  GLN  35           HB3      GLN  35  -9.719  11.767   4.199
  268    HG2  GLN  35           HG2      GLN  35  -8.614  13.664   2.944
  269    HG3  GLN  35           HG3      GLN  35  -9.117  12.844   1.472
  270   HE21  GLN  35          HE21      GLN  35 -11.589  11.867   2.705
  271   HE22  GLN  35          HE22      GLN  35 -12.645  13.232   2.785
  272    H    LYS  36           H        LYS  36  -7.604   8.989   2.169
  273    HA   LYS  36           HA       LYS  36  -7.982   7.352   4.588
  274    HB2  LYS  36           HB2      LYS  36  -8.958   5.633   3.023
  275    HB3  LYS  36           HB3      LYS  36  -9.929   7.073   3.265
  276    HG2  LYS  36           HG2      LYS  36  -8.523   7.816   1.098
  277    HG3  LYS  36           HG3      LYS  36  -8.579   6.071   0.851
  278    HD2  LYS  36           HD2      LYS  36 -10.952   7.882   1.283
  279    HD3  LYS  36           HD3      LYS  36 -10.445   7.193  -0.257
  280    HE2  LYS  36           HE2      LYS  36 -12.048   5.689   0.310
  281    HE3  LYS  36           HE3      LYS  36 -10.663   4.938   1.096
  282    HZ1  LYS  36           HZ1      LYS  36 -12.536   5.031   2.568
  283    HZ2  LYS  36           HZ2      LYS  36 -12.640   6.646   2.425
  284    HZ3  LYS  36           HZ3      LYS  36 -11.349   5.983   3.151
  285    H    THR  37           H        THR  37  -6.853   5.429   4.751
  286    HA   THR  37           HA       THR  37  -4.365   5.347   3.184
  287    HB   THR  37           HB       THR  37  -4.960   4.258   5.951
  288    HG1  THR  37           HG1      THR  37  -4.560   6.688   5.336
  289   HG21  THR  37          HG21      THR  37  -3.280   2.914   4.751
  290   HG22  THR  37          HG22      THR  37  -2.568   3.796   6.100
  291   HG23  THR  37          HG23      THR  37  -2.339   4.373   4.448
  292    H    CYS  38           H        CYS  38  -3.676   3.372   2.299
  293    HA   CYS  38           HA       CYS  38  -5.818   1.408   1.983
  294    HB2  CYS  38           HB2      CYS  38  -4.505   2.441   0.044
  295    HB3  CYS  38           HB3      CYS  38  -3.151   1.454   0.575
  296    H    CYS  39           H        CYS  39  -5.771  -0.472   3.108
  297    HA   CYS  39           HA       CYS  39  -3.221  -1.191   4.401
  298    HB2  CYS  39           HB2      CYS  39  -5.999  -1.355   5.574
  299    HB3  CYS  39           HB3      CYS  39  -4.537  -1.952   6.349
  300    H    VAL  40           H        VAL  40  -2.505  -3.016   3.582
  301    HA   VAL  40           HA       VAL  40  -4.447  -5.157   2.972
  302    HB   VAL  40           HB       VAL  40  -3.051  -4.220   1.059
  303   HG11  VAL  40          HG11      VAL  40  -0.852  -5.750   2.412
  304   HG12  VAL  40          HG12      VAL  40  -0.958  -3.998   2.241
  305   HG13  VAL  40          HG13      VAL  40  -0.783  -5.013   0.809
  306   HG21  VAL  40          HG21      VAL  40  -2.906  -7.170   1.646
  307   HG22  VAL  40          HG22      VAL  40  -2.657  -6.432   0.062
  308   HG23  VAL  40          HG23      VAL  40  -4.229  -6.316   0.851
  309    H    ASP  41           H        ASP  41  -3.905  -7.296   3.604
  310    HA   ASP  41           HA       ASP  41  -2.475  -7.563   5.996
  311    HB2  ASP  41           HB2      ASP  41  -2.838 -10.008   5.507
  312    HB3  ASP  41           HB3      ASP  41  -4.283  -9.037   5.603
  313    H    THR  42           H        THR  42  -0.373  -7.038   5.891
  314    HA   THR  42           HA       THR  42   1.167  -7.691   3.536
  315    HB   THR  42           HB       THR  42   2.960  -6.395   4.893
  316    HG1  THR  42           HG1      THR  42   2.346  -5.839   6.830
  317   HG21  THR  42          HG21      THR  42   2.064  -4.288   4.150
  318   HG22  THR  42          HG22      THR  42   0.429  -4.942   4.110
  319   HG23  THR  42          HG23      THR  42   1.638  -5.519   2.964
  320    H    THR  43           H        THR  43   1.214 -10.002   3.838
  321    HA   THR  43           HA       THR  43   3.328 -10.751   5.720
  322    HB   THR  43           HB       THR  43   1.345 -11.966   6.263
  323    HG1  THR  43           HG1      THR  43   2.975 -13.805   4.834
  324   HG21  THR  43          HG21      THR  43   0.250 -11.781   4.025
  325   HG22  THR  43          HG22      THR  43   0.122 -13.369   4.778
  326   HG23  THR  43          HG23      THR  43   1.277 -13.107   3.475
  327    H    SER  44           H        SER  44   2.120 -11.844   2.519
  328    HA   SER  44           HA       SER  44   4.876 -12.448   1.739
  329    HB2  SER  44           HB2      SER  44   2.374 -13.110   0.220
  330    HB3  SER  44           HB3      SER  44   3.969 -13.823   0.022
  331    HG   SER  44           HG       SER  44   2.545 -15.166   1.233
  332    H    ASP  45           H        ASP  45   2.011 -10.788   0.479
  333    HA   ASP  45           HA       ASP  45   3.369  -9.938  -1.899
  334    HB2  ASP  45           HB2      ASP  45   0.982 -10.668  -1.843
  335    HB3  ASP  45           HB3      ASP  45   0.600  -9.202  -0.946
  336    H    PHE  46           H        PHE  46   3.233  -8.728   1.164
  337    HA   PHE  46           HA       PHE  46   2.865  -6.031   0.979
  338    HB2  PHE  46           HB2      PHE  46   4.324  -5.781   2.918
  339    HB3  PHE  46           HB3      PHE  46   3.158  -7.076   3.108
  340    HD1  PHE  46           HD1      PHE  46   5.008  -8.831   1.185
  341    HD2  PHE  46           HD2      PHE  46   5.551  -6.713   4.808
  342    HE1  PHE  46           HE1      PHE  46   6.827 -10.369   1.786
  343    HE2  PHE  46           HE2      PHE  46   7.385  -8.221   5.433
  344    HZ   PHE  46           HZ       PHE  46   8.039 -10.056   3.919
  345    H    HIS  47           H        HIS  47   5.465  -7.765  -0.374
  346    HA   HIS  47           HA       HIS  47   7.426  -5.791  -0.621
  347    HB2  HIS  47           HB2      HIS  47   6.772  -8.241  -2.186
  348    HB3  HIS  47           HB3      HIS  47   7.940  -7.099  -2.845
  349    HD1  HIS  47           HD1      HIS  47  10.034  -6.571  -1.211
  350    HD2  HIS  47           HD2      HIS  47   7.795  -9.961  -0.342
  351    HE1  HIS  47           HE1      HIS  47  11.468  -7.950   0.321
  352    HE2  HIS  47           HE2      HIS  47  10.177 -10.085   0.656
  353    H    THR  48           H        THR  48   4.392  -5.520  -1.644
  354    HA   THR  48           HA       THR  48   4.146  -4.595  -4.169
  355    HB   THR  48           HB       THR  48   2.934  -3.739  -1.579
  356    HG1  THR  48           HG1      THR  48   2.526  -5.861  -2.527
  357   HG21  THR  48          HG21      THR  48   1.183  -2.546  -2.740
  358   HG22  THR  48          HG22      THR  48   1.951  -2.874  -4.293
  359   HG23  THR  48          HG23      THR  48   2.750  -1.823  -3.118
  360    H    CYS  49           H        CYS  49   6.252  -3.140  -1.944
  361    HA   CYS  49           HA       CYS  49   5.871  -0.485  -1.886
  362    HB2  CYS  49           HB2      CYS  49   8.206  -0.159  -1.535
  363    HB3  CYS  49           HB3      CYS  49   7.775  -1.718  -0.845
  364    H    GLN  50           H        GLN  50   7.356  -2.097  -4.731
  365    HA   GLN  50           HA       GLN  50   8.121   0.204  -6.079
  366    HB2  GLN  50           HB2      GLN  50   7.935  -1.160  -8.161
  367    HB3  GLN  50           HB3      GLN  50   8.894  -1.889  -6.892
  368    HG2  GLN  50           HG2      GLN  50   6.016  -2.604  -7.367
  369    HG3  GLN  50           HG3      GLN  50   7.352  -3.417  -8.181
  370   HE21  GLN  50          HE21      GLN  50   5.395  -4.498  -6.309
  371   HE22  GLN  50          HE22      GLN  50   6.305  -5.128  -4.971
  372    H    ASP  51           H        ASP  51   4.920  -1.213  -5.808
  373    HA   ASP  51           HA       ASP  51   3.807   0.345  -7.963
  374    HB2  ASP  51           HB2      ASP  51   2.959  -1.912  -7.110
  375    HB3  ASP  51           HB3      ASP  51   2.234  -1.014  -5.781
  376    H    LYS  52           H        LYS  52   4.336   0.751  -4.589
  377    HA   LYS  52           HA       LYS  52   2.565   2.928  -4.109
  378    HB2  LYS  52           HB2      LYS  52   4.830   1.609  -2.767
  379    HB3  LYS  52           HB3      LYS  52   4.642   3.307  -2.383
  380    HG2  LYS  52           HG2      LYS  52   2.448   1.283  -2.124
  381    HG3  LYS  52           HG3      LYS  52   3.548   1.723  -0.826
  382    HD2  LYS  52           HD2      LYS  52   1.639   3.566  -2.265
  383    HD3  LYS  52           HD3      LYS  52   1.471   2.970  -0.616
  384    HE2  LYS  52           HE2      LYS  52   3.695   4.758  -1.613
  385    HE3  LYS  52           HE3      LYS  52   2.295   5.290  -0.697
  386    HZ1  LYS  52           HZ1      LYS  52   3.074   3.857   1.098
  387    HZ2  LYS  52           HZ2      LYS  52   4.142   5.030   0.736
  388    HZ3  LYS  52           HZ3      LYS  52   4.416   3.500   0.246
  389    H    GLY  53           H        GLY  53   5.107   2.701  -6.179
  390    HA2  GLY  53           HA2      GLY  53   6.360   4.377  -7.221
  391    HA3  GLY  53           HA3      GLY  53   5.830   5.515  -5.977
  392    H    GLY  54           H        GLY  54   7.209   2.315  -5.559
  393    HA2  GLY  54           HA2      GLY  54   8.775   2.951  -3.368
  394    HA3  GLY  54           HA3      GLY  54   9.052   1.568  -4.411
  395    H    HIS  55           H        HIS  55  10.383   4.251  -3.179
  396    HA   HIS  55           HA       HIS  55  11.773   5.178  -5.534
  397    HB2  HIS  55           HB2      HIS  55  11.771   6.038  -2.654
  398    HB3  HIS  55           HB3      HIS  55  12.893   6.719  -3.828
  399    HD1  HIS  55           HD1      HIS  55  11.934   8.360  -5.567
  400    HD2  HIS  55           HD2      HIS  55   9.093   6.823  -2.949
  401    HE1  HIS  55           HE1      HIS  55   9.877   9.769  -5.893
  402    HE2  HIS  55           HE2      HIS  55   8.126   8.713  -4.424
  403    H    CYS  56           H        CYS  56  14.031   5.243  -5.712
  404    HA   CYS  56           HA       CYS  56  15.385   3.104  -4.224
  405    HB2  CYS  56           HB2      CYS  56  15.512   3.747  -7.171
  406    HB3  CYS  56           HB3      CYS  56  16.705   2.734  -6.364
  407    H    VAL  57           H        VAL  57  16.888   3.963  -2.980
  408    HA   VAL  57           HA       VAL  57  18.399   6.232  -4.079
  409    HB   VAL  57           HB       VAL  57  18.638   7.169  -1.851
  410   HG11  VAL  57          HG11      VAL  57  15.767   6.675  -2.587
  411   HG12  VAL  57          HG12      VAL  57  16.813   7.925  -3.259
  412   HG13  VAL  57          HG13      VAL  57  16.362   7.975  -1.554
  413   HG21  VAL  57          HG21      VAL  57  17.295   6.343   0.026
  414   HG22  VAL  57          HG22      VAL  57  18.478   5.152  -0.514
  415   HG23  VAL  57          HG23      VAL  57  16.779   4.973  -0.956
  416    H    SER  58           H        SER  58  20.501   6.124  -4.029
  417    HA   SER  58           HA       SER  58  21.910   3.792  -3.283
  418    HB2  SER  58           HB2      SER  58  22.809   5.137  -5.027
  419    HB3  SER  58           HB3      SER  58  22.720   6.601  -4.056
  420    HG   SER  58           HG       SER  58  24.646   4.608  -4.126
  421    HA   PRO  59           HA       PRO  59  22.550   4.277   1.029
  422    HB2  PRO  59           HB2      PRO  59  25.247   3.665   1.229
  423    HB3  PRO  59           HB3      PRO  59  23.934   2.487   1.172
  424    HG2  PRO  59           HG2      PRO  59  25.751   3.408  -0.999
  425    HG3  PRO  59           HG3      PRO  59  25.080   1.795  -0.701
  426    HD2  PRO  59           HD2      PRO  59  24.125   3.423  -2.624
  427    HD3  PRO  59           HD3      PRO  59  23.078   2.303  -1.733
  428    H    LYS  60           H        LYS  60  24.287   6.202  -1.206
  429    HA   LYS  60           HA       LYS  60  25.472   7.890   0.841
  430    HB2  LYS  60           HB2      LYS  60  26.333   9.224  -1.036
  431    HB3  LYS  60           HB3      LYS  60  26.756   7.527  -1.186
  432    HG2  LYS  60           HG2      LYS  60  25.017   7.205  -2.841
  433    HG3  LYS  60           HG3      LYS  60  24.503   8.883  -2.648
  434    HD2  LYS  60           HD2      LYS  60  26.686   9.648  -3.429
  435    HD3  LYS  60           HD3      LYS  60  27.217   7.976  -3.602
  436    HE2  LYS  60           HE2      LYS  60  24.897   9.204  -5.083
  437    HE3  LYS  60           HE3      LYS  60  26.524   9.034  -5.738
  438    HZ1  LYS  60           HZ1      LYS  60  26.304   6.671  -5.537
  439    HZ2  LYS  60           HZ2      LYS  60  25.062   7.245  -6.413
  440    HZ3  LYS  60           HZ3      LYS  60  24.826   6.802  -4.868
  441    H    ILE  61           H        ILE  61  22.475   7.589  -0.616
  442    HA   ILE  61           HA       ILE  61  21.784  10.404  -0.624
  443    HB   ILE  61           HB       ILE  61  19.905   8.041  -0.750
  444   HG12  ILE  61          HG12      ILE  61  21.702   7.938  -2.474
  445   HG13  ILE  61          HG13      ILE  61  20.080   8.054  -3.137
  446   HG21  ILE  61          HG21      ILE  61  18.815  10.163  -0.317
  447   HG22  ILE  61          HG22      ILE  61  18.426   9.594  -1.940
  448   HG23  ILE  61          HG23      ILE  61  19.611  10.880  -1.717
  449   HD11  ILE  61          HD11      ILE  61  20.455  10.449  -3.530
  450   HD12  ILE  61          HD12      ILE  61  21.598   9.421  -4.393
  451   HD13  ILE  61          HD13      ILE  61  22.103  10.267  -2.929
  452    H    ARG  62           H        ARG  62  20.170  11.283   0.815
  453    HA   ARG  62           HA       ARG  62  20.108   9.868   3.390
  454    HB2  ARG  62           HB2      ARG  62  20.268  12.815   2.802
  455    HB3  ARG  62           HB3      ARG  62  19.812  12.196   4.385
  456    HG2  ARG  62           HG2      ARG  62  21.924  11.016   4.553
  457    HG3  ARG  62           HG3      ARG  62  22.386  11.586   2.950
  458    HD2  ARG  62           HD2      ARG  62  21.784  13.389   5.288
  459    HD3  ARG  62           HD3      ARG  62  23.403  12.885   4.809
  460    HE   ARG  62           HE       ARG  62  21.638  14.384   2.985
  461   HH11  ARG  62          HH11      ARG  62  24.726  13.954   4.594
  462   HH12  ARG  62          HH12      ARG  62  25.483  15.264   3.749
  463   HH21  ARG  62          HH21      ARG  62  22.649  16.093   1.864
  464   HH22  ARG  62          HH22      ARG  62  24.313  16.465   2.189
  465    H    CYS  63           H        CYS  63  18.299   8.783   2.962
  466    HA   CYS  63           HA       CYS  63  15.783  10.300   3.077
  467    HB2  CYS  63           HB2      CYS  63  16.018   9.556   0.768
  468    HB3  CYS  63           HB3      CYS  63  16.416   7.928   1.300
  469    H    LEU  64           H        LEU  64  14.075   9.156   4.216
  470    HA   LEU  64           HA       LEU  64  15.000   7.126   6.037
  471    HB2  LEU  64           HB2      LEU  64  12.257   8.172   5.357
  472    HB3  LEU  64           HB3      LEU  64  12.500   6.867   6.498
  473    HG   LEU  64           HG       LEU  64  12.184   8.844   7.766
  474   HD11  LEU  64          HD11      LEU  64  15.146   8.316   7.671
  475   HD12  LEU  64          HD12      LEU  64  13.962   7.365   8.565
  476   HD13  LEU  64          HD13      LEU  64  14.251   9.048   9.002
  477   HD21  LEU  64          HD21      LEU  64  13.530  10.866   7.475
  478   HD22  LEU  64          HD22      LEU  64  12.586  10.492   6.032
  479   HD23  LEU  64          HD23      LEU  64  14.314  10.138   6.071
  480    H    GLU  65           H        GLU  65  15.861   5.606   4.666
  481    HA   GLU  65           HA       GLU  65  14.323   4.742   2.385
  482    HB2  GLU  65           HB2      GLU  65  16.399   3.472   1.799
  483    HB3  GLU  65           HB3      GLU  65  16.608   5.209   1.935
  484    HG2  GLU  65           HG2      GLU  65  17.777   5.031   3.947
  485    HG3  GLU  65           HG3      GLU  65  17.228   3.381   4.224
  486    H    GLU  66           H        GLU  66  12.670   3.610   3.436
  487    HA   GLU  66           HA       GLU  66  13.053   0.880   3.022
  488    HB2  GLU  66           HB2      GLU  66  13.123   1.702   5.876
  489    HB3  GLU  66           HB3      GLU  66  12.120   0.313   5.476
  490    HG2  GLU  66           HG2      GLU  66  14.253  -0.474   4.186
  491    HG3  GLU  66           HG3      GLU  66  15.070   0.648   5.267
  492    H    GLN  67           H        GLN  67  11.317   0.759   1.802
  493    HA   GLN  67           HA       GLN  67   8.737   1.521   2.974
  494    HB2  GLN  67           HB2      GLN  67   9.316   2.457   0.731
  495    HB3  GLN  67           HB3      GLN  67   9.352   0.816   0.100
  496    HG2  GLN  67           HG2      GLN  67   7.057   0.563   0.266
  497    HG3  GLN  67           HG3      GLN  67   6.901   1.841   1.471
  498   HE21  GLN  67          HE21      GLN  67   7.216   1.132  -1.912
  499   HE22  GLN  67          HE22      GLN  67   6.861   2.720  -2.483
  500    H    LEU  68           H        LEU  68   9.927  -1.046   0.795
  501    HA   LEU  68           HA       LEU  68   9.460  -3.143   2.598
  502    HB2  LEU  68           HB2      LEU  68   7.066  -2.228   1.697
  503    HB3  LEU  68           HB3      LEU  68   7.424  -3.436   0.475
  504    HG   LEU  68           HG       LEU  68   6.128  -4.570   2.053
  505   HD11  LEU  68          HD11      LEU  68   8.102  -5.843   1.444
  506   HD12  LEU  68          HD12      LEU  68   7.604  -6.205   3.096
  507   HD13  LEU  68          HD13      LEU  68   8.987  -5.152   2.802
  508   HD21  LEU  68          HD21      LEU  68   7.802  -3.326   4.230
  509   HD22  LEU  68          HD22      LEU  68   6.511  -4.502   4.474
  510   HD23  LEU  68          HD23      LEU  68   6.138  -2.910   3.816
  511    H    GLY  69           H        GLY  69  11.660  -3.090   1.332
  512    HA2  GLY  69           HA2      GLY  69  12.119  -5.392   0.125
  513    HA3  GLY  69           HA3      GLY  69  11.402  -4.513  -1.211
  514    H    LEU  70           H        LEU  70  13.699  -5.383  -1.823
  515    HA   LEU  70           HA       LEU  70  15.672  -3.255  -1.320
  516    HB2  LEU  70           HB2      LEU  70  16.053  -5.825  -0.818
  517    HB3  LEU  70           HB3      LEU  70  16.359  -5.902  -2.539
  518    HG   LEU  70           HG       LEU  70  17.861  -4.008  -0.741
  519   HD11  LEU  70          HD11      LEU  70  18.639  -6.816  -1.514
  520   HD12  LEU  70          HD12      LEU  70  18.144  -6.295   0.096
  521   HD13  LEU  70          HD13      LEU  70  19.630  -5.666  -0.616
  522   HD21  LEU  70          HD21      LEU  70  19.514  -4.085  -2.524
  523   HD22  LEU  70          HD22      LEU  70  17.944  -3.574  -3.147
  524   HD23  LEU  70          HD23      LEU  70  18.509  -5.221  -3.423
  525    H    CYS  71           H        CYS  71  16.626  -2.245  -3.056
  526    HA   CYS  71           HA       CYS  71  14.936  -2.120  -5.386
  527    HB2  CYS  71           HB2      CYS  71  17.041  -0.430  -4.171
  528    HB3  CYS  71           HB3      CYS  71  16.790  -0.273  -5.908
  529    HA   PRO  72           HA       PRO  72  17.102  -3.998  -8.803
  530    HB2  PRO  72           HB2      PRO  72  17.889  -1.164  -9.422
  531    HB3  PRO  72           HB3      PRO  72  17.388  -2.454 -10.529
  532    HG2  PRO  72           HG2      PRO  72  15.654  -0.587  -9.728
  533    HG3  PRO  72           HG3      PRO  72  15.156  -2.274  -9.944
  534    HD2  PRO  72           HD2      PRO  72  15.485  -0.724  -7.462
  535    HD3  PRO  72           HD3      PRO  72  14.557  -2.206  -7.751
  536    H    LEU  73           H        LEU  73  19.017  -1.183  -7.629
  537    HA   LEU  73           HA       LEU  73  21.475  -2.645  -7.907
  538    HB2  LEU  73           HB2      LEU  73  20.929  -0.083  -6.433
  539    HB3  LEU  73           HB3      LEU  73  22.508  -0.770  -6.664
  540    HG   LEU  73           HG       LEU  73  22.491   0.862  -8.254
  541   HD11  LEU  73          HD11      LEU  73  23.035  -1.268  -9.270
  542   HD12  LEU  73          HD12      LEU  73  22.296  -0.158 -10.425
  543   HD13  LEU  73          HD13      LEU  73  21.348  -1.479  -9.742
  544   HD21  LEU  73          HD21      LEU  73  19.583   0.267  -8.709
  545   HD22  LEU  73          HD22      LEU  73  20.533   1.338  -9.737
  546   HD23  LEU  73          HD23      LEU  73  20.312   1.726  -8.030
  547    H    LYS  74           H        LYS  74  22.892  -3.078  -6.122
  548    HA   LYS  74           HA       LYS  74  21.414  -4.837  -4.407
  549    HB2  LYS  74           HB2      LYS  74  23.416  -5.650  -5.489
  550    HB3  LYS  74           HB3      LYS  74  24.383  -4.390  -4.736
  551    HG2  LYS  74           HG2      LYS  74  24.745  -6.494  -3.619
  552    HG3  LYS  74           HG3      LYS  74  23.920  -5.375  -2.534
  553    HD2  LYS  74           HD2      LYS  74  21.762  -6.476  -3.212
  554    HD3  LYS  74           HD3      LYS  74  22.729  -7.693  -4.047
  555    HE2  LYS  74           HE2      LYS  74  22.769  -7.050  -1.102
  556    HE3  LYS  74           HE3      LYS  74  22.115  -8.501  -1.855
  557    HZ1  LYS  74           HZ1      LYS  74  24.942  -7.711  -1.834
  558    HZ2  LYS  74           HZ2      LYS  74  24.351  -9.029  -2.579
  559    HZ3  LYS  74           HZ3      LYS  74  24.278  -8.915  -0.962
  560    H    ARG  75           H        ARG  75  23.195  -1.858  -3.969
  561    HA   ARG  75           HA       ARG  75  22.946  -2.148  -1.062
  562    HB2  ARG  75           HB2      ARG  75  24.602  -0.230  -2.703
  563    HB3  ARG  75           HB3      ARG  75  24.556  -0.273  -0.945
  564    HG2  ARG  75           HG2      ARG  75  25.423  -2.559  -0.980
  565    HG3  ARG  75           HG3      ARG  75  25.488  -2.500  -2.742
  566    HD2  ARG  75           HD2      ARG  75  26.969  -0.638  -0.901
  567    HD3  ARG  75           HD3      ARG  75  27.670  -2.067  -1.654
  568    HE   ARG  75           HE       ARG  75  26.655  -0.594  -3.733
  569   HH11  ARG  75          HH11      ARG  75  28.931  -0.011  -1.146
  570   HH12  ARG  75          HH12      ARG  75  29.895   1.095  -2.070
  571   HH21  ARG  75          HH21      ARG  75  27.933   0.854  -4.963
  572   HH22  ARG  75          HH22      ARG  75  29.327   1.588  -4.238
  573    H    TRP  76           H        TRP  76  21.008  -1.153  -3.323
  574    HA   TRP  76           HA       TRP  76  20.265   1.396  -2.082
  575    HB2  TRP  76           HB2      TRP  76  19.293   0.091  -4.630
  576    HB3  TRP  76           HB3      TRP  76  18.696   1.619  -4.002
  577    HD1  TRP  76           HD1      TRP  76  22.398   0.538  -4.344
  578    HE1  TRP  76           HE1      TRP  76  23.565   2.209  -5.903
  579    HE3  TRP  76           HE3      TRP  76  18.399   3.444  -5.532
  580    HZ2  TRP  76           HZ2      TRP  76  22.861   4.466  -7.442
  581    HZ3  TRP  76           HZ3      TRP  76  18.712   5.360  -7.020
  582    HH2  TRP  76           HH2      TRP  76  20.911   5.862  -7.965
  583    H    THR  77           H        THR  77  18.472   1.593  -0.904
  584    HA   THR  77           HA       THR  77  16.854  -0.815  -0.486
  585    HB   THR  77           HB       THR  77  16.863   1.757   1.101
  586    HG1  THR  77           HG1      THR  77  18.548   0.980   2.104
  587   HG21  THR  77          HG21      THR  77  14.790   0.489   1.313
  588   HG22  THR  77          HG22      THR  77  15.721   0.418   2.809
  589   HG23  THR  77          HG23      THR  77  15.708  -0.964   1.713
  590    H    CYS  78           H        CYS  78  14.685  -0.904  -0.923
  591    HA   CYS  78           HA       CYS  78  13.501   1.067  -2.615
  592    HB2  CYS  78           HB2      CYS  78  12.905  -1.348  -2.715
  593    HB3  CYS  78           HB3      CYS  78  12.195  -1.222  -1.110
  594    H    CYS  79           H        CYS  79  13.277   3.007  -1.706
  595    HA   CYS  79           HA       CYS  79  12.656   3.232   1.126
  596    HB2  CYS  79           HB2      CYS  79  14.514   4.478   0.481
  597    HB3  CYS  79           HB3      CYS  79  13.730   5.104  -0.965
  598    H    LYS  80           H        LYS  80  11.039   4.589   1.960
  599    HA   LYS  80           HA       LYS  80   8.669   4.555   0.277
  600    HB2  LYS  80           HB2      LYS  80   8.570   3.491   2.505
  601    HB3  LYS  80           HB3      LYS  80   8.921   5.045   3.249
  602    HG2  LYS  80           HG2      LYS  80   6.844   5.922   2.703
  603    HG3  LYS  80           HG3      LYS  80   6.564   4.726   1.438
  604    HD2  LYS  80           HD2      LYS  80   5.157   4.189   3.281
  605    HD3  LYS  80           HD3      LYS  80   6.440   2.985   3.214
  606    HE2  LYS  80           HE2      LYS  80   6.095   3.629   5.506
  607    HE3  LYS  80           HE3      LYS  80   7.655   4.246   4.963
  608    HZ1  LYS  80           HZ1      LYS  80   6.556   6.383   4.605
  609    HZ2  LYS  80           HZ2      LYS  80   6.506   5.926   6.162
  610    HZ3  LYS  80           HZ3      LYS  80   5.176   5.791   5.235
  611    H    GLU  81           H        GLU  81   8.898   6.315  -0.989
  612    HA   GLU  81           HA       GLU  81   8.429   8.431  -1.635
  613    HB2  GLU  81           HB2      GLU  81   7.057   8.519   1.053
  614    HB3  GLU  81           HB3      GLU  81   6.779   9.636  -0.280
  615    HG2  GLU  81           HG2      GLU  81   5.796   7.967  -1.622
  616    HG3  GLU  81           HG3      GLU  81   6.392   6.677  -0.579
  617    H    ILE  82           H        ILE  82  10.424   9.308  -1.755
  618    HA   ILE  82           HA       ILE  82  12.005  10.163   0.421
  619    HB   ILE  82           HB       ILE  82  12.135  11.161  -2.431
  620   HG12  ILE  82          HG12      ILE  82  13.610   8.828  -1.187
  621   HG13  ILE  82          HG13      ILE  82  12.224   8.669  -2.262
  622   HG21  ILE  82          HG21      ILE  82  14.498  11.584  -1.901
  623   HG22  ILE  82          HG22      ILE  82  14.202  11.078  -0.238
  624   HG23  ILE  82          HG23      ILE  82  13.407  12.517  -0.876
  625   HD11  ILE  82          HD11      ILE  82  14.870   9.915  -2.983
  626   HD12  ILE  82          HD12      ILE  82  13.486   9.721  -4.058
  627   HD13  ILE  82          HD13      ILE  82  14.327   8.301  -3.438
  Start of MODEL   10
    1    H1   LEU   1           H1       LEU   1 -18.440   2.414  -3.574
    2    H2   LEU   1           H2       LEU   1 -17.773   2.840  -4.991
    3    H3   LEU   1           H3       LEU   1 -18.514   3.958  -4.078
    4    HA   LEU   1           HA       LEU   1 -16.888   3.746  -2.360
    5    HB2  LEU   1           HB2      LEU   1 -15.785   1.728  -4.289
    6    HB3  LEU   1           HB3      LEU   1 -14.790   2.464  -3.057
    7    HG   LEU   1           HG       LEU   1 -17.257   0.847  -2.539
    8   HD11  LEU   1          HD11      LEU   1 -14.356   0.093  -2.325
    9   HD12  LEU   1          HD12      LEU   1 -15.530  -0.561  -3.466
   10   HD13  LEU   1          HD13      LEU   1 -15.700  -0.884  -1.741
   11   HD21  LEU   1          HD21      LEU   1 -16.468   0.837  -0.214
   12   HD22  LEU   1          HD22      LEU   1 -16.833   2.464  -0.786
   13   HD23  LEU   1          HD23      LEU   1 -15.159   1.924  -0.673
   14    HA   PRO   2           HA       PRO   2 -14.565   7.008  -4.292
   15    HB2  PRO   2           HB2      PRO   2 -12.123   5.839  -3.045
   16    HB3  PRO   2           HB3      PRO   2 -12.762   7.485  -2.943
   17    HG2  PRO   2           HG2      PRO   2 -13.015   5.843  -0.882
   18    HG3  PRO   2           HG3      PRO   2 -14.376   6.893  -1.358
   19    HD2  PRO   2           HD2      PRO   2 -13.950   3.973  -1.912
   20    HD3  PRO   2           HD3      PRO   2 -15.431   4.804  -1.400
   21    H    ARG   3           H        ARG   3 -12.746   7.427  -5.762
   22    HA   ARG   3           HA       ARG   3 -13.034   5.998  -8.059
   23    HB2  ARG   3           HB2      ARG   3 -12.060   8.245  -7.941
   24    HB3  ARG   3           HB3      ARG   3 -10.596   7.577  -7.234
   25    HG2  ARG   3           HG2      ARG   3 -10.386   6.183  -9.344
   26    HG3  ARG   3           HG3      ARG   3 -11.637   7.226 -10.024
   27    HD2  ARG   3           HD2      ARG   3 -10.238   9.183  -9.590
   28    HD3  ARG   3           HD3      ARG   3  -8.992   8.142  -8.908
   29    HE   ARG   3           HE       ARG   3  -9.813   8.188 -11.739
   30   HH11  ARG   3          HH11      ARG   3  -7.485   7.333  -9.256
   31   HH12  ARG   3          HH12      ARG   3  -6.210   7.023 -10.390
   32   HH21  ARG   3          HH21      ARG   3  -8.138   7.752 -13.222
   33   HH22  ARG   3          HH22      ARG   3  -6.578   7.262 -12.641
   34    H    ASP   4           H        ASP   4 -10.431   5.560  -5.687
   35    HA   ASP   4           HA       ASP   4  -9.436   3.313  -7.316
   36    HB2  ASP   4           HB2      ASP   4  -7.938   5.204  -5.512
   37    HB3  ASP   4           HB3      ASP   4  -7.230   3.753  -6.217
   38    H    THR   5           H        THR   5 -11.363   3.519  -4.809
   39    HA   THR   5           HA       THR   5  -9.892   2.007  -2.854
   40    HB   THR   5           HB       THR   5 -12.833   2.661  -3.009
   41    HG1  THR   5           HG1      THR   5 -10.616   3.738  -1.575
   42   HG21  THR   5          HG21      THR   5 -11.227   1.404  -0.779
   43   HG22  THR   5          HG22      THR   5 -12.522   0.638  -1.696
   44   HG23  THR   5          HG23      THR   5 -12.881   1.992  -0.625
   45    H    SER   6           H        SER   6 -12.630   1.233  -5.015
   46    HA   SER   6           HA       SER   6 -12.746  -1.506  -4.355
   47    HB2  SER   6           HB2      SER   6 -14.568  -0.294  -5.484
   48    HB3  SER   6           HB3      SER   6 -13.565  -0.122  -6.921
   49    HG   SER   6           HG       SER   6 -13.839  -2.198  -7.391
   50    H    ARG   7           H        ARG   7 -10.758   0.361  -6.440
   51    HA   ARG   7           HA       ARG   7  -9.515  -1.754  -7.883
   52    HB2  ARG   7           HB2      ARG   7  -9.349   0.398  -8.826
   53    HB3  ARG   7           HB3      ARG   7  -8.888   1.127  -7.298
   54    HG2  ARG   7           HG2      ARG   7  -6.796  -0.499  -7.645
   55    HG3  ARG   7           HG3      ARG   7  -7.236  -0.222  -9.332
   56    HD2  ARG   7           HD2      ARG   7  -7.151   2.193  -8.956
   57    HD3  ARG   7           HD3      ARG   7  -6.731   1.916  -7.262
   58    HE   ARG   7           HE       ARG   7  -4.834   0.586  -8.757
   59   HH11  ARG   7          HH11      ARG   7  -5.950   3.902  -8.563
   60   HH12  ARG   7          HH12      ARG   7  -4.367   4.576  -8.823
   61   HH21  ARG   7          HH21      ARG   7  -2.749   1.487  -9.110
   62   HH22  ARG   7          HH22      ARG   7  -2.560   3.210  -9.119
   63    H    CYS   8           H        CYS   8  -8.549   0.197  -5.082
   64    HA   CYS   8           HA       CYS   8  -6.012  -1.018  -4.816
   65    HB2  CYS   8           HB2      CYS   8  -7.101   1.254  -3.908
   66    HB3  CYS   8           HB3      CYS   8  -7.250   0.260  -2.463
   67    H    VAL   9           H        VAL   9  -9.133  -1.631  -3.337
   68    HA   VAL   9           HA       VAL   9  -8.309  -2.997  -1.069
   69    HB   VAL   9           HB       VAL   9 -10.590  -2.212  -1.387
   70   HG11  VAL   9          HG11      VAL   9 -12.163  -3.408  -2.816
   71   HG12  VAL   9          HG12      VAL   9 -10.852  -4.436  -3.395
   72   HG13  VAL   9          HG13      VAL   9 -10.836  -2.706  -3.747
   73   HG21  VAL   9          HG21      VAL   9 -11.787  -4.125  -0.468
   74   HG22  VAL   9          HG22      VAL   9 -10.184  -3.977   0.253
   75   HG23  VAL   9          HG23      VAL   9 -10.485  -5.197  -0.983
   76    H    GLY  10           H        GLY  10  -8.566  -4.150  -4.371
   77    HA2  GLY  10           HA2      GLY  10  -8.070  -6.898  -3.530
   78    HA3  GLY  10           HA3      GLY  10  -8.293  -6.338  -5.182
   79    H    TYR  11           H        TYR  11  -6.290  -4.135  -4.534
   80    HA   TYR  11           HA       TYR  11  -4.007  -5.714  -5.413
   81    HB2  TYR  11           HB2      TYR  11  -4.581  -2.756  -5.499
   82    HB3  TYR  11           HB3      TYR  11  -3.044  -3.459  -5.980
   83    HD1  TYR  11           HD1      TYR  11  -4.075  -5.926  -7.351
   84    HD2  TYR  11           HD2      TYR  11  -5.346  -1.877  -7.529
   85    HE1  TYR  11           HE1      TYR  11  -4.947  -6.310  -9.604
   86    HE2  TYR  11           HE2      TYR  11  -6.230  -2.249  -9.792
   87    HH   TYR  11           HH       TYR  11  -6.615  -5.345 -11.132
   88    H    HIS  12           H        HIS  12  -4.388  -2.828  -3.339
   89    HA   HIS  12           HA       HIS  12  -2.000  -3.749  -1.871
   90    HB2  HIS  12           HB2      HIS  12  -2.808  -0.864  -1.919
   91    HB3  HIS  12           HB3      HIS  12  -1.213  -1.568  -1.694
   92    HD1  HIS  12           HD1      HIS  12  -2.801   0.462  -3.971
   93    HD2  HIS  12           HD2      HIS  12  -0.604  -3.036  -4.404
   94    HE1  HIS  12           HE1      HIS  12  -2.037   0.436  -6.363
   95    HE2  HIS  12           HE2      HIS  12  -0.490  -1.550  -6.520
   96    H    GLY  13           H        GLY  13  -5.038  -4.015  -1.462
   97    HA2  GLY  13           HA2      GLY  13  -5.883  -4.672   0.669
   98    HA3  GLY  13           HA3      GLY  13  -4.841  -3.466   1.414
   99    H    TYR  14           H        TYR  14  -7.210  -3.343   2.373
  100    HA   TYR  14           HA       TYR  14  -9.140  -1.986   0.735
  101    HB2  TYR  14           HB2      TYR  14 -10.445  -1.910   2.897
  102    HB3  TYR  14           HB3      TYR  14  -9.995  -3.519   2.344
  103    HD1  TYR  14           HD1      TYR  14  -8.819  -4.966   3.760
  104    HD2  TYR  14           HD2      TYR  14  -8.968  -0.820   4.671
  105    HE1  TYR  14           HE1      TYR  14  -7.779  -5.414   5.944
  106    HE2  TYR  14           HE2      TYR  14  -7.928  -1.248   6.851
  107    HH   TYR  14           HH       TYR  14  -7.714  -3.136   8.432
  108    H    CYS  15           H        CYS  15 -10.277  -0.005   1.885
  109    HA   CYS  15           HA       CYS  15  -8.108   1.919   2.405
  110    HB2  CYS  15           HB2      CYS  15 -10.669   2.370   0.865
  111    HB3  CYS  15           HB3      CYS  15  -9.455   3.594   1.207
  112    H    ILE  16           H        ILE  16  -8.399   1.773   4.665
  113    HA   ILE  16           HA       ILE  16 -10.948   2.738   5.716
  114    HB   ILE  16           HB       ILE  16  -9.963   2.443   7.946
  115   HG12  ILE  16          HG12      ILE  16  -7.542   1.488   6.418
  116   HG13  ILE  16          HG13      ILE  16  -7.637   2.902   7.450
  117   HG21  ILE  16          HG21      ILE  16  -9.807   0.069   6.116
  118   HG22  ILE  16          HG22      ILE  16 -11.196   0.619   7.051
  119   HG23  ILE  16          HG23      ILE  16  -9.780  -0.036   7.875
  120   HD11  ILE  16          HD11      ILE  16  -7.904   0.052   8.370
  121   HD12  ILE  16          HD12      ILE  16  -7.959   1.486   9.394
  122   HD13  ILE  16          HD13      ILE  16  -6.474   1.069   8.539
  123    H    ARG  17           H        ARG  17 -10.643   4.495   7.506
  124    HA   ARG  17           HA       ARG  17  -9.775   6.782   6.098
  125    HB2  ARG  17           HB2      ARG  17 -11.536   7.052   7.678
  126    HB3  ARG  17           HB3      ARG  17 -10.582   6.355   8.978
  127    HG2  ARG  17           HG2      ARG  17  -9.100   8.288   8.949
  128    HG3  ARG  17           HG3      ARG  17 -10.028   8.985   7.619
  129    HD2  ARG  17           HD2      ARG  17 -11.982   9.162   9.013
  130    HD3  ARG  17           HD3      ARG  17 -11.165   8.318  10.328
  131    HE   ARG  17           HE       ARG  17  -9.619  10.272  10.387
  132   HH11  ARG  17          HH11      ARG  17 -12.837  10.626   9.049
  133   HH12  ARG  17          HH12      ARG  17 -12.945  12.315   9.430
  134   HH21  ARG  17          HH21      ARG  17  -9.759  12.495  10.887
  135   HH22  ARG  17          HH22      ARG  17 -11.198  13.376  10.482
  136    H    SER  18           H        SER  18  -8.278   4.917   8.745
  137    HA   SER  18           HA       SER  18  -6.062   6.849   8.694
  138    HB2  SER  18           HB2      SER  18  -7.292   5.412  11.045
  139    HB3  SER  18           HB3      SER  18  -5.839   6.408  11.138
  140    HG   SER  18           HG       SER  18  -8.241   7.252  11.454
  141    H    LYS  19           H        LYS  19  -4.073   5.897   9.850
  142    HA   LYS  19           HA       LYS  19  -3.340   3.554   8.297
  143    HB2  LYS  19           HB2      LYS  19  -1.566   5.135  10.150
  144    HB3  LYS  19           HB3      LYS  19  -1.097   4.177   8.753
  145    HG2  LYS  19           HG2      LYS  19  -1.822   5.767   7.248
  146    HG3  LYS  19           HG3      LYS  19  -2.890   6.535   8.421
  147    HD2  LYS  19           HD2      LYS  19  -0.603   6.977   9.669
  148    HD3  LYS  19           HD3      LYS  19   0.038   6.838   8.028
  149    HE2  LYS  19           HE2      LYS  19  -1.532   8.551   7.272
  150    HE3  LYS  19           HE3      LYS  19  -2.184   8.676   8.904
  151    HZ1  LYS  19           HZ1      LYS  19  -0.600  10.404   8.512
  152    HZ2  LYS  19           HZ2      LYS  19   0.556   9.344   8.089
  153    HZ3  LYS  19           HZ3      LYS  19   0.016   9.384   9.620
  154    H    VAL  20           H        VAL  20  -5.062   3.519  10.708
  155    HA   VAL  20           HA       VAL  20  -3.668   2.208  12.838
  156    HB   VAL  20           HB       VAL  20  -6.637   2.011  12.434
  157   HG11  VAL  20          HG11      VAL  20  -5.659   0.837  14.325
  158   HG12  VAL  20          HG12      VAL  20  -6.675   2.171  14.872
  159   HG13  VAL  20          HG13      VAL  20  -4.921   2.335  14.888
  160   HG21  VAL  20          HG21      VAL  20  -5.156   4.444  13.423
  161   HG22  VAL  20          HG22      VAL  20  -6.902   4.202  13.506
  162   HG23  VAL  20          HG23      VAL  20  -6.102   4.319  11.938
  163    H    CYS  21           H        CYS  21  -3.264   0.948  10.297
  164    HA   CYS  21           HA       CYS  21  -4.862  -1.232   9.708
  165    HB2  CYS  21           HB2      CYS  21  -1.860  -1.127   9.443
  166    HB3  CYS  21           HB3      CYS  21  -2.990  -2.048   8.454
  167    HA   PRO  22           HA       PRO  22  -4.073  -4.030  13.140
  168    HB2  PRO  22           HB2      PRO  22  -5.335  -6.170  12.042
  169    HB3  PRO  22           HB3      PRO  22  -6.206  -4.829  12.790
  170    HG2  PRO  22           HG2      PRO  22  -5.677  -5.366   9.896
  171    HG3  PRO  22           HG3      PRO  22  -7.166  -4.801  10.678
  172    HD2  PRO  22           HD2      PRO  22  -5.468  -3.132   9.390
  173    HD3  PRO  22           HD3      PRO  22  -6.428  -2.622  10.791
  174    H    LYS  23           H        LYS  23  -3.413  -6.569  13.026
  175    HA   LYS  23           HA       LYS  23  -1.216  -6.700  11.078
  176    HB2  LYS  23           HB2      LYS  23  -1.355  -7.627  13.926
  177    HB3  LYS  23           HB3      LYS  23  -0.218  -8.357  12.807
  178    HG2  LYS  23           HG2      LYS  23   0.989  -6.703  13.937
  179    HG3  LYS  23           HG3      LYS  23   0.632  -6.019  12.355
  180    HD2  LYS  23           HD2      LYS  23   0.162  -4.254  13.768
  181    HD3  LYS  23           HD3      LYS  23  -1.426  -4.985  13.545
  182    HE2  LYS  23           HE2      LYS  23   0.388  -5.594  15.876
  183    HE3  LYS  23           HE3      LYS  23  -0.858  -4.353  15.909
  184    HZ1  LYS  23           HZ1      LYS  23  -1.708  -6.329  16.853
  185    HZ2  LYS  23           HZ2      LYS  23  -1.275  -7.236  15.580
  186    HZ3  LYS  23           HZ3      LYS  23  -2.457  -6.131  15.423
  187    HA   PRO  24           HA       PRO  24   0.080  -7.847  10.278
  188    HB2  PRO  24           HB2      PRO  24   0.727  -9.274   8.121
  189    HB3  PRO  24           HB3      PRO  24   0.971  -9.919   9.748
  190    HG2  PRO  24           HG2      PRO  24  -1.165 -10.537   7.763
  191    HG3  PRO  24           HG3      PRO  24  -0.345 -11.617   8.901
  192    HD2  PRO  24           HD2      PRO  24  -2.857 -10.454   9.272
  193    HD3  PRO  24           HD3      PRO  24  -1.853 -11.174  10.543
  194    H    PHE  25           H        PHE  25  -0.755  -5.878   9.587
  195    HA   PHE  25           HA       PHE  25  -1.301  -5.700   6.725
  196    HB2  PHE  25           HB2      PHE  25  -3.103  -4.559   8.876
  197    HB3  PHE  25           HB3      PHE  25  -3.104  -3.960   7.223
  198    HD1  PHE  25           HD1      PHE  25  -4.496  -4.911   5.668
  199    HD2  PHE  25           HD2      PHE  25  -3.532  -7.090   9.194
  200    HE1  PHE  25           HE1      PHE  25  -6.123  -6.644   5.037
  201    HE2  PHE  25           HE2      PHE  25  -5.164  -8.821   8.570
  202    HZ   PHE  25           HZ       PHE  25  -6.450  -8.593   6.489
  203    H    ALA  26           H        ALA  26  -0.667  -3.735   5.816
  204    HA   ALA  26           HA       ALA  26   0.705  -1.908   7.682
  205    HB1  ALA  26           HB1      ALA  26   2.586  -1.693   6.274
  206    HB2  ALA  26           HB2      ALA  26   1.800  -2.565   4.964
  207    HB3  ALA  26           HB3      ALA  26   2.289  -3.425   6.423
  208    H    ALA  27           H        ALA  27   0.478   0.208   7.327
  209    HA   ALA  27           HA       ALA  27  -1.474   1.236   5.595
  210    HB1  ALA  27           HB1      ALA  27   0.823   2.614   6.984
  211    HB2  ALA  27           HB2      ALA  27  -0.799   2.378   7.632
  212    HB3  ALA  27           HB3      ALA  27  -0.551   3.429   6.237
  213    H    PHE  28           H        PHE  28  -1.172   0.761   3.457
  214    HA   PHE  28           HA       PHE  28   1.419   1.396   2.266
  215    HB2  PHE  28           HB2      PHE  28  -0.622  -0.571   1.747
  216    HB3  PHE  28           HB3      PHE  28  -0.308   0.359   0.295
  217    HD1  PHE  28           HD1      PHE  28   2.286   0.743  -0.201
  218    HD2  PHE  28           HD2      PHE  28   0.630  -2.408   2.130
  219    HE1  PHE  28           HE1      PHE  28   4.311  -0.606  -0.580
  220    HE2  PHE  28           HE2      PHE  28   2.630  -3.763   1.750
  221    HZ   PHE  28           HZ       PHE  28   4.490  -2.861   0.398
  222    H    GLY  29           H        GLY  29   1.289   3.597   2.340
  223    HA2  GLY  29           HA2      GLY  29   0.811   5.689   1.579
  224    HA3  GLY  29           HA3      GLY  29   0.489   4.896   0.056
  225    H    THR  30           H        THR  30  -1.231   5.854  -0.685
  226    HA   THR  30           HA       THR  30  -3.719   5.547   0.819
  227    HB   THR  30           HB       THR  30  -4.471   7.791   0.069
  228    HG1  THR  30           HG1      THR  30  -2.072   7.677  -1.269
  229   HG21  THR  30          HG21      THR  30  -3.569   7.619   2.306
  230   HG22  THR  30          HG22      THR  30  -3.035   9.137   1.585
  231   HG23  THR  30          HG23      THR  30  -1.923   7.771   1.689
  232    H    CYS  31           H        CYS  31  -5.537   5.233  -0.567
  233    HA   CYS  31           HA       CYS  31  -4.718   4.168  -3.140
  234    HB2  CYS  31           HB2      CYS  31  -7.044   3.238  -3.193
  235    HB3  CYS  31           HB3      CYS  31  -6.052   2.689  -1.848
  236    H    SER  32           H        SER  32  -7.641   5.983  -2.174
  237    HA   SER  32           HA       SER  32  -7.551   7.246  -4.821
  238    HB2  SER  32           HB2      SER  32  -9.602   5.912  -4.046
  239    HB3  SER  32           HB3      SER  32  -9.904   7.232  -2.924
  240    HG   SER  32           HG       SER  32  -9.479   8.295  -5.315
  241    H    TRP  33           H        TRP  33  -8.949   8.224  -1.709
  242    HA   TRP  33           HA       TRP  33  -7.776  10.872  -2.025
  243    HB2  TRP  33           HB2      TRP  33  -9.439  10.082   0.340
  244    HB3  TRP  33           HB3      TRP  33  -9.319  11.641  -0.460
  245    HD1  TRP  33           HD1      TRP  33 -11.917   9.508   0.212
  246    HE1  TRP  33           HE1      TRP  33 -13.659   9.279  -1.662
  247    HE3  TRP  33           HE3      TRP  33  -9.156  11.301  -3.713
  248    HZ2  TRP  33           HZ2      TRP  33 -13.848   9.779  -4.420
  249    HZ3  TRP  33           HZ3      TRP  33 -10.210  11.389  -5.936
  250    HH2  TRP  33           HH2      TRP  33 -12.497  10.648  -6.278
  251    H    ARG  34           H        ARG  34  -6.405  11.775  -0.427
  252    HA   ARG  34           HA       ARG  34  -4.548   9.947   0.690
  253    HB2  ARG  34           HB2      ARG  34  -3.944  12.214  -0.085
  254    HB3  ARG  34           HB3      ARG  34  -4.873  12.903   1.239
  255    HG2  ARG  34           HG2      ARG  34  -2.719  10.967   1.869
  256    HG3  ARG  34           HG3      ARG  34  -2.279  12.593   1.389
  257    HD2  ARG  34           HD2      ARG  34  -3.290  13.548   3.245
  258    HD3  ARG  34           HD3      ARG  34  -4.311  12.139   3.532
  259    HE   ARG  34           HE       ARG  34  -2.164  10.982   4.155
  260   HH11  ARG  34          HH11      ARG  34  -2.519  14.448   4.503
  261   HH12  ARG  34          HH12      ARG  34  -1.385  14.554   5.810
  262   HH21  ARG  34          HH21      ARG  34  -0.680  11.118   5.861
  263   HH22  ARG  34          HH22      ARG  34  -0.350  12.654   6.599
  264    H    GLN  35           H        GLN  35  -7.303  11.628   1.889
  265    HA   GLN  35           HA       GLN  35  -6.950  11.398   4.641
  266    HB2  GLN  35           HB2      GLN  35  -9.445  11.483   4.759
  267    HB3  GLN  35           HB3      GLN  35  -8.700  12.783   3.842
  268    HG2  GLN  35           HG2      GLN  35  -9.318  11.762   1.780
  269    HG3  GLN  35           HG3      GLN  35  -9.871  10.307   2.607
  270   HE21  GLN  35          HE21      GLN  35 -11.833  10.320   3.670
  271   HE22  GLN  35          HE22      GLN  35 -12.999  11.578   3.452
  272    H    LYS  36           H        LYS  36  -7.256   8.851   2.478
  273    HA   LYS  36           HA       LYS  36  -7.780   7.069   4.740
  274    HB2  LYS  36           HB2      LYS  36  -8.955   5.504   3.126
  275    HB3  LYS  36           HB3      LYS  36  -9.843   6.923   3.644
  276    HG2  LYS  36           HG2      LYS  36  -8.623   7.797   1.356
  277    HG3  LYS  36           HG3      LYS  36  -8.976   6.108   0.986
  278    HD2  LYS  36           HD2      LYS  36 -11.007   8.046   2.081
  279    HD3  LYS  36           HD3      LYS  36 -10.778   7.742   0.364
  280    HE2  LYS  36           HE2      LYS  36 -12.630   6.451   1.157
  281    HE3  LYS  36           HE3      LYS  36 -11.317   5.354   0.749
  282    HZ1  LYS  36           HZ1      LYS  36 -12.349   4.728   2.792
  283    HZ2  LYS  36           HZ2      LYS  36 -12.131   6.203   3.441
  284    HZ3  LYS  36           HZ3      LYS  36 -10.847   5.256   3.132
  285    H    THR  37           H        THR  37  -6.729   5.138   4.756
  286    HA   THR  37           HA       THR  37  -4.278   5.130   3.147
  287    HB   THR  37           HB       THR  37  -4.936   3.760   5.769
  288    HG1  THR  37           HG1      THR  37  -4.690   6.144   5.704
  289   HG21  THR  37          HG21      THR  37  -2.555   3.279   5.919
  290   HG22  THR  37          HG22      THR  37  -2.282   4.037   4.350
  291   HG23  THR  37          HG23      THR  37  -3.230   2.554   4.459
  292    H    CYS  38           H        CYS  38  -3.535   3.224   2.134
  293    HA   CYS  38           HA       CYS  38  -5.619   1.239   1.595
  294    HB2  CYS  38           HB2      CYS  38  -4.196   2.452  -0.202
  295    HB3  CYS  38           HB3      CYS  38  -2.898   1.383   0.304
  296    H    CYS  39           H        CYS  39  -5.630  -0.307   3.162
  297    HA   CYS  39           HA       CYS  39  -3.040  -1.136   4.290
  298    HB2  CYS  39           HB2      CYS  39  -5.829  -1.371   5.426
  299    HB3  CYS  39           HB3      CYS  39  -4.375  -1.988   6.201
  300    H    VAL  40           H        VAL  40  -2.298  -2.843   3.222
  301    HA   VAL  40           HA       VAL  40  -4.158  -4.999   2.517
  302    HB   VAL  40           HB       VAL  40  -2.530  -4.055   0.805
  303   HG11  VAL  40          HG11      VAL  40  -0.598  -3.888   2.255
  304   HG12  VAL  40          HG12      VAL  40  -0.264  -4.854   0.820
  305   HG13  VAL  40          HG13      VAL  40  -0.532  -5.645   2.373
  306   HG21  VAL  40          HG21      VAL  40  -3.673  -6.104   0.364
  307   HG22  VAL  40          HG22      VAL  40  -2.571  -7.002   1.412
  308   HG23  VAL  40          HG23      VAL  40  -1.985  -6.315  -0.104
  309    H    ASP  41           H        ASP  41  -3.839  -7.103   3.208
  310    HA   ASP  41           HA       ASP  41  -2.504  -7.569   5.652
  311    HB2  ASP  41           HB2      ASP  41  -4.341  -8.980   4.960
  312    HB3  ASP  41           HB3      ASP  41  -3.465  -9.488   3.525
  313    H    THR  42           H        THR  42  -0.410  -7.426   5.876
  314    HA   THR  42           HA       THR  42   1.268  -7.796   3.509
  315    HB   THR  42           HB       THR  42   2.948  -6.499   4.933
  316    HG1  THR  42           HG1      THR  42   1.748  -6.912   6.925
  317   HG21  THR  42          HG21      THR  42   0.354  -5.079   4.298
  318   HG22  THR  42          HG22      THR  42   1.581  -5.497   3.104
  319   HG23  THR  42          HG23      THR  42   1.961  -4.360   4.393
  320    H    THR  43           H        THR  43   1.360 -10.130   3.747
  321    HA   THR  43           HA       THR  43   3.399 -10.851   5.720
  322    HB   THR  43           HB       THR  43   1.516 -12.225   6.150
  323    HG1  THR  43           HG1      THR  43   3.148 -13.598   6.324
  324   HG21  THR  43          HG21      THR  43   0.245 -13.422   4.584
  325   HG22  THR  43          HG22      THR  43   1.447 -13.216   3.316
  326   HG23  THR  43          HG23      THR  43   0.481 -11.837   3.846
  327    H    SER  44           H        SER  44   2.375 -11.974   2.478
  328    HA   SER  44           HA       SER  44   5.187 -12.258   1.742
  329    HB2  SER  44           HB2      SER  44   3.554 -14.150   1.473
  330    HB3  SER  44           HB3      SER  44   2.770 -13.208   0.209
  331    HG   SER  44           HG       SER  44   4.729 -14.826  -0.144
  332    H    ASP  45           H        ASP  45   2.163 -10.983   0.396
  333    HA   ASP  45           HA       ASP  45   3.398  -9.914  -1.926
  334    HB2  ASP  45           HB2      ASP  45   1.007 -10.738  -1.693
  335    HB3  ASP  45           HB3      ASP  45   0.658  -9.217  -0.879
  336    H    PHE  46           H        PHE  46   3.299  -8.797   1.186
  337    HA   PHE  46           HA       PHE  46   2.796  -6.093   1.061
  338    HB2  PHE  46           HB2      PHE  46   3.852  -5.895   3.146
  339    HB3  PHE  46           HB3      PHE  46   3.154  -7.501   3.069
  340    HD1  PHE  46           HD1      PHE  46   4.918  -9.137   1.772
  341    HD2  PHE  46           HD2      PHE  46   5.786  -5.905   4.346
  342    HE1  PHE  46           HE1      PHE  46   7.050 -10.212   2.363
  343    HE2  PHE  46           HE2      PHE  46   7.936  -6.938   4.950
  344    HZ   PHE  46           HZ       PHE  46   8.580  -9.101   3.955
  345    H    HIS  47           H        HIS  47   5.278  -7.698  -0.408
  346    HA   HIS  47           HA       HIS  47   7.331  -5.790  -0.483
  347    HB2  HIS  47           HB2      HIS  47   6.543  -8.000  -2.351
  348    HB3  HIS  47           HB3      HIS  47   7.871  -6.909  -2.745
  349    HD1  HIS  47           HD1      HIS  47   9.816  -6.803  -0.847
  350    HD2  HIS  47           HD2      HIS  47   7.251 -10.076  -0.736
  351    HE1  HIS  47           HE1      HIS  47  10.957  -8.509   0.602
  352    HE2  HIS  47           HE2      HIS  47   9.319 -10.417   0.782
  353    H    THR  48           H        THR  48   4.306  -5.192  -1.334
  354    HA   THR  48           HA       THR  48   3.972  -4.334  -3.880
  355    HB   THR  48           HB       THR  48   2.959  -2.951  -1.421
  356    HG1  THR  48           HG1      THR  48   2.366  -5.416  -2.588
  357   HG21  THR  48          HG21      THR  48   1.777  -3.158  -4.188
  358   HG22  THR  48          HG22      THR  48   2.420  -1.698  -3.427
  359   HG23  THR  48          HG23      THR  48   0.964  -2.464  -2.784
  360    H    CYS  49           H        CYS  49   6.329  -2.914  -1.911
  361    HA   CYS  49           HA       CYS  49   6.044  -0.208  -2.152
  362    HB2  CYS  49           HB2      CYS  49   8.402   0.020  -1.830
  363    HB3  CYS  49           HB3      CYS  49   7.879  -1.392  -0.926
  364    H    GLN  50           H        GLN  50   7.718  -2.261  -4.597
  365    HA   GLN  50           HA       GLN  50   8.305  -0.119  -6.316
  366    HB2  GLN  50           HB2      GLN  50   8.763  -1.797  -8.022
  367    HB3  GLN  50           HB3      GLN  50   9.481  -2.239  -6.491
  368    HG2  GLN  50           HG2      GLN  50   6.854  -3.347  -7.420
  369    HG3  GLN  50           HG3      GLN  50   8.403  -4.093  -7.816
  370   HE21  GLN  50          HE21      GLN  50   6.128  -5.044  -6.189
  371   HE22  GLN  50          HE22      GLN  50   6.793  -5.401  -4.626
  372    H    ASP  51           H        ASP  51   5.410  -1.960  -5.859
  373    HA   ASP  51           HA       ASP  51   4.276  -1.386  -8.411
  374    HB2  ASP  51           HB2      ASP  51   3.565  -3.314  -6.996
  375    HB3  ASP  51           HB3      ASP  51   2.844  -2.175  -5.863
  376    H    LYS  52           H        LYS  52   4.139   0.083  -5.213
  377    HA   LYS  52           HA       LYS  52   2.259   2.117  -5.918
  378    HB2  LYS  52           HB2      LYS  52   4.195   1.779  -3.658
  379    HB3  LYS  52           HB3      LYS  52   3.364   3.306  -3.895
  380    HG2  LYS  52           HG2      LYS  52   1.256   1.673  -3.940
  381    HG3  LYS  52           HG3      LYS  52   2.350   0.713  -2.933
  382    HD2  LYS  52           HD2      LYS  52   1.263   2.025  -1.361
  383    HD3  LYS  52           HD3      LYS  52   2.739   2.938  -1.660
  384    HE2  LYS  52           HE2      LYS  52  -0.038   3.506  -2.685
  385    HE3  LYS  52           HE3      LYS  52   0.935   4.486  -1.611
  386    HZ1  LYS  52           HZ1      LYS  52   2.404   4.967  -3.429
  387    HZ2  LYS  52           HZ2      LYS  52   0.881   5.363  -3.841
  388    HZ3  LYS  52           HZ3      LYS  52   1.549   4.009  -4.435
  389    H    GLY  53           H        GLY  53   5.554   1.606  -6.511
  390    HA2  GLY  53           HA2      GLY  53   6.682   3.180  -8.036
  391    HA3  GLY  53           HA3      GLY  53   6.000   4.472  -7.054
  392    H    GLY  54           H        GLY  54   7.775   1.465  -6.451
  393    HA2  GLY  54           HA2      GLY  54   9.223   2.758  -4.286
  394    HA3  GLY  54           HA3      GLY  54   9.248   1.048  -4.673
  395    H    HIS  55           H        HIS  55  10.927   3.860  -4.769
  396    HA   HIS  55           HA       HIS  55  12.545   3.078  -7.089
  397    HB2  HIS  55           HB2      HIS  55  12.356   5.707  -5.612
  398    HB3  HIS  55           HB3      HIS  55  13.465   5.394  -6.943
  399    HD1  HIS  55           HD1      HIS  55  12.589   5.809  -9.242
  400    HD2  HIS  55           HD2      HIS  55   9.544   5.506  -6.423
  401    HE1  HIS  55           HE1      HIS  55  10.477   6.387 -10.467
  402    HE2  HIS  55           HE2      HIS  55   8.635   6.001  -8.800
  403    H    CYS  56           H        CYS  56  14.842   3.097  -6.920
  404    HA   CYS  56           HA       CYS  56  15.714   2.298  -4.248
  405    HB2  CYS  56           HB2      CYS  56  16.814   1.755  -6.999
  406    HB3  CYS  56           HB3      CYS  56  17.731   1.409  -5.536
  407    H    VAL  57           H        VAL  57  16.694   3.752  -3.076
  408    HA   VAL  57           HA       VAL  57  18.386   5.733  -4.440
  409    HB   VAL  57           HB       VAL  57  17.747   7.422  -2.848
  410   HG11  VAL  57          HG11      VAL  57  15.306   6.067  -3.960
  411   HG12  VAL  57          HG12      VAL  57  16.364   7.178  -4.828
  412   HG13  VAL  57          HG13      VAL  57  15.418   7.752  -3.453
  413   HG21  VAL  57          HG21      VAL  57  16.016   5.311  -1.574
  414   HG22  VAL  57          HG22      VAL  57  15.961   7.031  -1.187
  415   HG23  VAL  57          HG23      VAL  57  17.425   6.101  -0.865
  416    H    SER  58           H        SER  58  20.313   6.180  -3.549
  417    HA   SER  58           HA       SER  58  21.436   4.310  -1.717
  418    HB2  SER  58           HB2      SER  58  23.497   5.472  -2.132
  419    HB3  SER  58           HB3      SER  58  22.620   5.479  -3.653
  420    HG   SER  58           HG       SER  58  23.130   7.542  -3.499
  421    HA   PRO  59           HA       PRO  59  20.761   6.448   2.094
  422    HB2  PRO  59           HB2      PRO  59  23.181   6.290   3.349
  423    HB3  PRO  59           HB3      PRO  59  22.070   4.924   3.204
  424    HG2  PRO  59           HG2      PRO  59  24.489   5.583   1.573
  425    HG3  PRO  59           HG3      PRO  59  23.952   4.013   2.194
  426    HD2  PRO  59           HD2      PRO  59  23.569   4.765  -0.369
  427    HD3  PRO  59           HD3      PRO  59  22.421   3.723   0.489
  428    H    LYS  60           H        LYS  60  22.791   7.612  -0.265
  429    HA   LYS  60           HA       LYS  60  23.391  10.108   1.153
  430    HB2  LYS  60           HB2      LYS  60  24.459   9.071  -1.480
  431    HB3  LYS  60           HB3      LYS  60  24.982  10.537  -0.661
  432    HG2  LYS  60           HG2      LYS  60  25.904   9.271   1.151
  433    HG3  LYS  60           HG3      LYS  60  25.241   7.773   0.497
  434    HD2  LYS  60           HD2      LYS  60  26.663   8.019  -1.485
  435    HD3  LYS  60           HD3      LYS  60  27.336   9.505  -0.812
  436    HE2  LYS  60           HE2      LYS  60  28.222   8.273   1.081
  437    HE3  LYS  60           HE3      LYS  60  27.490   6.787   0.481
  438    HZ1  LYS  60           HZ1      LYS  60  29.825   6.951  -0.061
  439    HZ2  LYS  60           HZ2      LYS  60  29.569   8.310  -0.917
  440    HZ3  LYS  60           HZ3      LYS  60  28.921   6.906  -1.416
  441    H    ILE  61           H        ILE  61  21.138   8.756  -0.877
  442    HA   ILE  61           HA       ILE  61  20.522  11.126  -2.420
  443    HB   ILE  61           HB       ILE  61  18.936   8.582  -1.983
  444   HG12  ILE  61          HG12      ILE  61  21.097   8.343  -3.199
  445   HG13  ILE  61          HG13      ILE  61  19.691   7.893  -4.154
  446   HG21  ILE  61          HG21      ILE  61  18.459  10.829  -3.936
  447   HG22  ILE  61          HG22      ILE  61  17.453  10.413  -2.549
  448   HG23  ILE  61          HG23      ILE  61  17.587   9.296  -3.907
  449   HD11  ILE  61          HD11      ILE  61  19.808  10.074  -5.278
  450   HD12  ILE  61          HD12      ILE  61  21.263   9.103  -5.501
  451   HD13  ILE  61          HD13      ILE  61  21.266  10.445  -4.356
  452    H    ARG  62           H        ARG  62  18.845  12.542  -2.000
  453    HA   ARG  62           HA       ARG  62  17.753  12.360   0.713
  454    HB2  ARG  62           HB2      ARG  62  18.129  14.686  -1.159
  455    HB3  ARG  62           HB3      ARG  62  17.035  14.793   0.213
  456    HG2  ARG  62           HG2      ARG  62  19.088  15.725   0.912
  457    HG3  ARG  62           HG3      ARG  62  18.967  14.141   1.674
  458    HD2  ARG  62           HD2      ARG  62  20.414  13.212  -0.095
  459    HD3  ARG  62           HD3      ARG  62  20.576  14.827  -0.778
  460    HE   ARG  62           HE       ARG  62  21.334  14.628   1.998
  461   HH11  ARG  62          HH11      ARG  62  22.420  14.422  -1.325
  462   HH12  ARG  62          HH12      ARG  62  24.087  14.674  -0.929
  463   HH21  ARG  62          HH21      ARG  62  23.534  14.961   2.520
  464   HH22  ARG  62          HH22      ARG  62  24.723  14.979   1.256
  465    H    CYS  63           H        CYS  63  16.209  10.858   0.315
  466    HA   CYS  63           HA       CYS  63  13.826  11.851  -1.085
  467    HB2  CYS  63           HB2      CYS  63  14.905  10.190  -2.536
  468    HB3  CYS  63           HB3      CYS  63  14.937   9.038  -1.208
  469    H    LEU  64           H        LEU  64  11.836  11.168  -0.162
  470    HA   LEU  64           HA       LEU  64  11.914  10.374   2.579
  471    HB2  LEU  64           HB2      LEU  64   9.648  10.434   0.605
  472    HB3  LEU  64           HB3      LEU  64   9.464  10.141   2.324
  473    HG   LEU  64           HG       LEU  64  10.260  12.689   0.939
  474   HD11  LEU  64          HD11      LEU  64   8.116  11.975   2.916
  475   HD12  LEU  64          HD12      LEU  64   7.894  12.246   1.188
  476   HD13  LEU  64          HD13      LEU  64   8.391  13.575   2.233
  477   HD21  LEU  64          HD21      LEU  64  11.820  12.431   2.772
  478   HD22  LEU  64          HD22      LEU  64  10.502  12.038   3.874
  479   HD23  LEU  64          HD23      LEU  64  10.617  13.654   3.180
  480    H    GLU  65           H        GLU  65  13.155   8.527   2.525
  481    HA   GLU  65           HA       GLU  65  12.403   6.313   0.838
  482    HB2  GLU  65           HB2      GLU  65  14.418   5.216   1.777
  483    HB3  GLU  65           HB3      GLU  65  14.750   6.772   1.034
  484    HG2  GLU  65           HG2      GLU  65  14.962   7.823   3.165
  485    HG3  GLU  65           HG3      GLU  65  14.402   6.371   3.994
  486    H    GLU  66           H        GLU  66  12.532   4.116   1.795
  487    HA   GLU  66           HA       GLU  66  12.015   2.478   3.264
  488    HB2  GLU  66           HB2      GLU  66  11.227   4.642   5.210
  489    HB3  GLU  66           HB3      GLU  66  11.335   2.923   5.566
  490    HG2  GLU  66           HG2      GLU  66  13.755   3.073   4.869
  491    HG3  GLU  66           HG3      GLU  66  13.553   4.818   4.892
  492    H    GLN  67           H        GLN  67  10.485   2.321   1.476
  493    HA   GLN  67           HA       GLN  67   7.725   2.653   2.398
  494    HB2  GLN  67           HB2      GLN  67   7.969   3.264   0.106
  495    HB3  GLN  67           HB3      GLN  67   8.871   1.794  -0.255
  496    HG2  GLN  67           HG2      GLN  67   7.017   0.626  -0.616
  497    HG3  GLN  67           HG3      GLN  67   6.262   1.214   0.855
  498   HE21  GLN  67          HE21      GLN  67   6.738   1.805  -2.552
  499   HE22  GLN  67          HE22      GLN  67   5.384   2.852  -2.742
  500    H    LEU  68           H        LEU  68   9.699   0.053   0.971
  501    HA   LEU  68           HA       LEU  68   9.221  -1.811   3.026
  502    HB2  LEU  68           HB2      LEU  68   6.947  -1.574   1.648
  503    HB3  LEU  68           HB3      LEU  68   7.771  -2.672   0.557
  504    HG   LEU  68           HG       LEU  68   6.361  -3.946   2.017
  505   HD11  LEU  68          HD11      LEU  68   8.471  -4.987   1.445
  506   HD12  LEU  68          HD12      LEU  68   7.973  -5.449   3.072
  507   HD13  LEU  68          HD13      LEU  68   9.241  -4.243   2.846
  508   HD21  LEU  68          HD21      LEU  68   6.636  -3.934   4.450
  509   HD22  LEU  68          HD22      LEU  68   6.146  -2.354   3.839
  510   HD23  LEU  68          HD23      LEU  68   7.822  -2.638   4.307
  511    H    GLY  69           H        GLY  69  11.333  -2.513   2.830
  512    HA2  GLY  69           HA2      GLY  69  12.309  -4.564   1.896
  513    HA3  GLY  69           HA3      GLY  69  11.847  -3.964   0.314
  514    H    LEU  70           H        LEU  70  14.393  -4.853   1.069
  515    HA   LEU  70           HA       LEU  70  16.010  -2.410   1.050
  516    HB2  LEU  70           HB2      LEU  70  16.351  -4.528   2.601
  517    HB3  LEU  70           HB3      LEU  70  17.149  -5.177   1.185
  518    HG   LEU  70           HG       LEU  70  17.964  -2.551   2.418
  519   HD11  LEU  70          HD11      LEU  70  19.057  -5.297   3.005
  520   HD12  LEU  70          HD12      LEU  70  18.159  -4.274   4.124
  521   HD13  LEU  70          HD13      LEU  70  19.749  -3.772   3.554
  522   HD21  LEU  70          HD21      LEU  70  20.061  -2.987   1.262
  523   HD22  LEU  70          HD22      LEU  70  18.707  -2.962   0.130
  524   HD23  LEU  70          HD23      LEU  70  19.410  -4.500   0.633
  525    H    CYS  71           H        CYS  71  17.192  -1.866  -0.702
  526    HA   CYS  71           HA       CYS  71  16.400  -3.046  -3.205
  527    HB2  CYS  71           HB2      CYS  71  17.854  -0.584  -2.359
  528    HB3  CYS  71           HB3      CYS  71  18.030  -1.136  -4.021
  529    HA   PRO  72           HA       PRO  72  19.701  -5.598  -4.682
  530    HB2  PRO  72           HB2      PRO  72  20.505  -3.228  -6.338
  531    HB3  PRO  72           HB3      PRO  72  20.421  -4.938  -6.797
  532    HG2  PRO  72           HG2      PRO  72  18.456  -3.252  -7.444
  533    HG3  PRO  72           HG3      PRO  72  18.109  -4.919  -6.954
  534    HD2  PRO  72           HD2      PRO  72  17.626  -2.398  -5.503
  535    HD3  PRO  72           HD3      PRO  72  16.846  -3.977  -5.310
  536    H    LEU  73           H        LEU  73  20.900  -2.218  -4.379
  537    HA   LEU  73           HA       LEU  73  23.443  -3.120  -3.408
  538    HB2  LEU  73           HB2      LEU  73  22.187  -0.386  -3.345
  539    HB3  LEU  73           HB3      LEU  73  23.814  -0.736  -2.803
  540    HG   LEU  73           HG       LEU  73  24.215   0.112  -4.858
  541   HD11  LEU  73          HD11      LEU  73  25.177  -2.130  -4.710
  542   HD12  LEU  73          HD12      LEU  73  24.862  -1.619  -6.367
  543   HD13  LEU  73          HD13      LEU  73  23.779  -2.766  -5.574
  544   HD21  LEU  73          HD21      LEU  73  22.810  -0.401  -6.878
  545   HD22  LEU  73          HD22      LEU  73  22.046   0.570  -5.621
  546   HD23  LEU  73          HD23      LEU  73  21.652  -1.145  -5.773
  547    H    LYS  74           H        LYS  74  24.221  -3.019  -1.342
  548    HA   LYS  74           HA       LYS  74  22.388  -4.151   0.472
  549    HB2  LYS  74           HB2      LYS  74  24.801  -4.723   0.272
  550    HB3  LYS  74           HB3      LYS  74  25.188  -3.191   1.034
  551    HG2  LYS  74           HG2      LYS  74  25.354  -4.849   2.704
  552    HG3  LYS  74           HG3      LYS  74  23.870  -3.956   3.026
  553    HD2  LYS  74           HD2      LYS  74  23.630  -6.361   1.318
  554    HD3  LYS  74           HD3      LYS  74  24.007  -6.637   3.017
  555    HE2  LYS  74           HE2      LYS  74  22.033  -5.320   3.653
  556    HE3  LYS  74           HE3      LYS  74  21.655  -5.072   1.952
  557    HZ1  LYS  74           HZ1      LYS  74  20.397  -6.884   2.931
  558    HZ2  LYS  74           HZ2      LYS  74  21.766  -7.688   3.274
  559    HZ3  LYS  74           HZ3      LYS  74  21.351  -7.423   1.727
  560    H    ARG  75           H        ARG  75  23.571  -0.895   0.145
  561    HA   ARG  75           HA       ARG  75  22.427  -0.223   2.765
  562    HB2  ARG  75           HB2      ARG  75  23.748   1.961   2.434
  563    HB3  ARG  75           HB3      ARG  75  24.630   0.507   2.857
  564    HG2  ARG  75           HG2      ARG  75  24.354   1.229  -0.018
  565    HG3  ARG  75           HG3      ARG  75  25.493   2.124   0.988
  566    HD2  ARG  75           HD2      ARG  75  26.574   0.026   1.630
  567    HD3  ARG  75           HD3      ARG  75  25.434  -0.873   0.632
  568    HE   ARG  75           HE       ARG  75  26.501   0.761  -1.173
  569   HH11  ARG  75          HH11      ARG  75  28.019  -1.173   1.315
  570   HH12  ARG  75          HH12      ARG  75  29.499  -1.377   0.431
  571   HH21  ARG  75          HH21      ARG  75  28.445   0.476  -2.344
  572   HH22  ARG  75          HH22      ARG  75  29.737  -0.445  -1.650
  573    H    TRP  76           H        TRP  76  21.265  -0.397  -0.146
  574    HA   TRP  76           HA       TRP  76  20.108   2.294  -0.241
  575    HB2  TRP  76           HB2      TRP  76  20.007   0.008  -2.203
  576    HB3  TRP  76           HB3      TRP  76  19.110   1.508  -2.408
  577    HD1  TRP  76           HD1      TRP  76  22.800   1.101  -1.313
  578    HE1  TRP  76           HE1      TRP  76  24.272   2.356  -2.996
  579    HE3  TRP  76           HE3      TRP  76  19.173   2.659  -4.546
  580    HZ2  TRP  76           HZ2      TRP  76  23.935   3.799  -5.387
  581    HZ3  TRP  76           HZ3      TRP  76  19.816   4.009  -6.487
  582    HH2  TRP  76           HH2      TRP  76  22.158   4.572  -6.894
  583    H    THR  77           H        THR  77  17.888   2.642  -0.331
  584    HA   THR  77           HA       THR  77  16.315   0.550   1.025
  585    HB   THR  77           HB       THR  77  15.805   3.526   1.127
  586    HG1  THR  77           HG1      THR  77  16.999   3.613   2.985
  587   HG21  THR  77          HG21      THR  77  13.921   2.062   1.705
  588   HG22  THR  77          HG22      THR  77  14.500   2.963   3.104
  589   HG23  THR  77          HG23      THR  77  14.922   1.261   2.917
  590    H    CYS  78           H        CYS  78  14.286   0.036   0.206
  591    HA   CYS  78           HA       CYS  78  13.547   1.029  -2.386
  592    HB2  CYS  78           HB2      CYS  78  13.022  -1.296  -1.559
  593    HB3  CYS  78           HB3      CYS  78  11.851  -0.581  -0.457
  594    H    CYS  79           H        CYS  79  13.076   3.120  -2.429
  595    HA   CYS  79           HA       CYS  79  11.850   4.383  -0.125
  596    HB2  CYS  79           HB2      CYS  79  13.706   5.543  -0.817
  597    HB3  CYS  79           HB3      CYS  79  13.356   5.330  -2.532
  598    H    LYS  80           H        LYS  80  10.128   5.852  -0.267
  599    HA   LYS  80           HA       LYS  80   8.018   4.815  -1.967
  600    HB2  LYS  80           HB2      LYS  80   7.849   5.178   0.542
  601    HB3  LYS  80           HB3      LYS  80   7.855   6.901   0.208
  602    HG2  LYS  80           HG2      LYS  80   5.830   6.485  -1.255
  603    HG3  LYS  80           HG3      LYS  80   5.776   4.872  -0.531
  604    HD2  LYS  80           HD2      LYS  80   5.705   7.471   0.995
  605    HD3  LYS  80           HD3      LYS  80   4.302   6.469   0.629
  606    HE2  LYS  80           HE2      LYS  80   6.677   5.403   2.127
  607    HE3  LYS  80           HE3      LYS  80   5.353   6.226   2.947
  608    HZ1  LYS  80           HZ1      LYS  80   4.974   3.875   1.235
  609    HZ2  LYS  80           HZ2      LYS  80   3.882   4.557   2.231
  610    HZ3  LYS  80           HZ3      LYS  80   5.169   3.786   2.851
  611    H    GLU  81           H        GLU  81   8.487   5.714  -3.967
  612    HA   GLU  81           HA       GLU  81   8.205   7.197  -5.658
  613    HB2  GLU  81           HB2      GLU  81   6.182   8.287  -3.708
  614    HB3  GLU  81           HB3      GLU  81   6.241   8.669  -5.425
  615    HG2  GLU  81           HG2      GLU  81   5.778   6.404  -6.017
  616    HG3  GLU  81           HG3      GLU  81   5.933   5.883  -4.341
  617    H    ILE  82           H        ILE  82  10.140   8.249  -5.791
  618    HA   ILE  82           HA       ILE  82  10.968  10.403  -4.165
  619    HB   ILE  82           HB       ILE  82  11.820   9.894  -7.020
  620   HG12  ILE  82          HG12      ILE  82  12.998   8.772  -4.467
  621   HG13  ILE  82          HG13      ILE  82  12.051   7.854  -5.633
  622   HG21  ILE  82          HG21      ILE  82  13.214  11.269  -4.725
  623   HG22  ILE  82          HG22      ILE  82  12.492  12.060  -6.126
  624   HG23  ILE  82          HG23      ILE  82  13.891  11.006  -6.333
  625   HD11  ILE  82          HD11      ILE  82  13.773   8.236  -7.325
  626   HD12  ILE  82          HD12      ILE  82  14.428   7.429  -5.898
  627   HD13  ILE  82          HD13      ILE  82  14.719   9.150  -6.151