*HEADER    UNKNOWN FUNCTION                        01-FEB-16   2NB9              
*TITLE     SOLUTION STRUCTURE OF ZITP ZINC FINGER                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 33-75;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS;                         
*SOURCE   3 ORGANISM_TAXID: 190650;                                              
*SOURCE   4 STRAIN: ATCC 19089 / CB15;                                           
*SOURCE   5 GENE: CC_2215;                                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PSC-ZITP                                   
*KEYWDS    ZINC FINGER, UNKNOWN FUNCTION                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.CAMPAGNE, M.BERGE, P.H.VIOLLIER, F.H.-T.ALLAIN                      
*REVDAT   1   14-DEC-16 2NB9    0                                                


#
# 1 MET HA 2 ILE H 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 1 MET HG2 1 MET QE 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=  15,  16,  17,
 &end
#
# 1 MET HG3 14 VAL QQG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  12,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 214, 215, 216, 218, 219, 220,
 &end
#
# 1 MET HG3 3 LEU HG 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  12,  47, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 1 MET QB 2 ILE H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=   8,   9,
 &end
#
# 1 MET QB 3 LEU HG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=   8,   9,
 &end
#
# 1 MET QE 14 VAL QQG 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
 igr1=  15,  16,  17,
 igr2= 214, 215, 216, 218, 219, 220,
 &end
#
# 1 MET QE 19 VAL HA 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  15,  16,  17,
 &end
#
# 1 MET QE 19 VAL QG1 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  15,  16,  17,
 igr2= 287, 288, 289,
 &end
#
# 1 MET QE 19 VAL QG2 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  15,  16,  17,
 igr2= 291, 292, 293,
 &end
#
# 1 MET QE 38 PHE H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=  15,  16,  17,
 &end
#
# 1 MET QE 39 LYS H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=  15,  16,  17,
 &end
#
# 1 MET QE 39 LYS HA 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=  15,  16,  17,
 &end
#
# 1 MET QE 39 LYS HE3 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=  15,  16,  17,
 &end
#
# 1 MET QE 3 LEU HG 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=  15,  16,  17,
 &end
#
# 1 MET QE 3 LEU QD1 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  15,  16,  17,
 igr2=  49,  50,  51,
 &end
#
# 1 MET QE 3 LEU QD2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  15,  16,  17,
 igr2=  53,  54,  55,
 &end
#
# 1 MET QE 40 ASP H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=  15,  16,  17,
 &end
#
# 2 ILE H 2 ILE HB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  25, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 2 ILE H 2 ILE HG13 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  32, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 2 ILE H 2 ILE QG2 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=  27,  28,  29,
 &end
#
# 2 ILE H 3 LEU HG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  47, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 2 ILE HA 2 ILE QD1 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=  34,  35,  36,
 &end
#
# 2 ILE HA 2 ILE QG2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=  27,  28,  29,
 &end
#
# 2 ILE HA 3 LEU H 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  40, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 2 ILE HB 2 ILE QD1 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=  34,  35,  36,
 &end
#
# 2 ILE HG12 11 ARG QD 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 153, 154,
 &end
#
# 2 ILE QD1 11 ARG QD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=  34,  35,  36,
 igr2= 153, 154,
 &end
#
# 2 ILE QD1 12 TYR H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  34,  35,  36,
 &end
#
# 2 ILE QD1 12 TYR HA 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  34,  35,  36,
 &end
#
# 2 ILE QD1 13 PHE HB2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=  34,  35,  36,
 &end
#
# 2 ILE QD1 13 PHE HB3 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  34,  35,  36,
 &end
#
# 2 ILE QD1 13 PHE QD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=  34,  35,  36,
 igr2= 196, 204,
 &end
#
# 2 ILE QD1 3 LEU H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  34,  35,  36,
 &end
#
# 2 ILE QG2 11 ARG HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=  27,  28,  29,
 &end
#
# 2 ILE QG2 11 ARG HB3 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  27,  28,  29,
 &end
#
# 2 ILE QG2 11 ARG QD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=  27,  28,  29,
 igr2= 153, 154,
 &end
#
# 2 ILE QG2 12 TYR H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=  27,  28,  29,
 &end
#
# 2 ILE QG2 2 ILE HG12 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=  27,  28,  29,
 &end
#
# 2 ILE QG2 2 ILE HG13 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=  27,  28,  29,
 &end
#
# 2 ILE QG2 2 ILE QD1 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=  27,  28,  29,
 igr2=  34,  35,  36,
 &end
#
# 2 ILE QG2 3 LEU H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=  27,  28,  29,
 &end
#
# 3 LEU H 12 TYR H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 167, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 3 LEU H 3 LEU HB3 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  45, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 3 LEU H 3 LEU HG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  47, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 3 LEU H 3 LEU QD1 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=  49,  50,  51,
 &end
#
# 3 LEU H 3 LEU QD2 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=  53,  54,  55,
 &end
#
# 3 LEU HA 3 LEU QD1 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=  49,  50,  51,
 &end
#
# 3 LEU HA 3 LEU QD2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=  53,  54,  55,
 &end
#
# 3 LEU HA 4 THR H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  59, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 3 LEU HB2 35 TRP HZ2 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 516, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 3 LEU HB2 3 LEU QD1 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=  49,  50,  51,
 &end
#
# 3 LEU HB2 3 LEU QD2 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=  53,  54,  55,
 &end
#
# 3 LEU HB3 35 TRP HZ2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 516, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 3 LEU HB3 3 LEU QD1 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=  49,  50,  51,
 &end
#
# 3 LEU HB3 3 LEU QD2 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=  53,  54,  55,
 &end
#
# 3 LEU HB3 4 THR H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  59, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 3 LEU HG 37 ALA QB 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 545, 546, 547,
 &end
#
# 3 LEU HG 4 THR H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  59, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 3 LEU QD1 26 VAL QG1 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=  49,  50,  51,
 igr2= 383, 384, 385,
 &end
#
# 3 LEU QD1 26 VAL QG2 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=  49,  50,  51,
 igr2= 387, 388, 389,
 &end
#
# 3 LEU QD1 35 TRP HZ2 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=  49,  50,  51,
 &end
#
# 3 LEU QD2 26 VAL QG1 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  53,  54,  55,
 igr2= 383, 384, 385,
 &end
#
# 3 LEU QD2 26 VAL QG2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=  53,  54,  55,
 igr2= 387, 388, 389,
 &end
#
# 3 LEU QD2 35 TRP HZ2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=  53,  54,  55,
 &end
#
# 3 LEU QD2 37 ALA QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  53,  54,  55,
 igr2= 545, 546, 547,
 &end
#
# 4 THR H 35 TRP HZ2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 516, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 4 THR H 4 THR HB 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  63, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 4 THR H 4 THR QG2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=  65,  66,  67,
 &end
#
# 4 THR HA 10 SER H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 132, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 4 THR HA 11 ARG HA 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 145, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 4 THR HA 12 TYR H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 167, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 4 THR HA 4 THR QG2 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=  65,  66,  67,
 &end
#
# 4 THR HA 5 CYM H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  73, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 4 THR HB 5 CYM H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  73, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 4 THR QG2 10 SER H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=  65,  66,  67,
 &end
#
# 4 THR QG2 10 SER HA 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=  65,  66,  67,
 &end
#
# 4 THR QG2 10 SER HB3 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=  65,  66,  67,
 &end
#
# 4 THR QG2 11 ARG HA 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=  65,  66,  67,
 &end
#
# 4 THR QG2 11 ARG QD 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=  65,  66,  67,
 igr2= 153, 154,
 &end
#
# 4 THR QG2 5 CYM H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  65,  66,  67,
 &end
#
# 4 THR QG2 9 ALA H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  65,  66,  67,
 &end
#
# 4 THR QG2 9 ALA HA 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=  65,  66,  67,
 &end
#
# 4 THR QG2 9 ALA QB 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  65,  66,  67,
 igr2= 126, 127, 128,
 &end
#
# 5 CYM H 11 ARG HA 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 5 CYM H 35 TRP HH2 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 518, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 5 CYM H 5 CYM HB2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  78, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 5 CYM H 5 CYM HB3 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  77, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 5 CYM H 9 ALA HA 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 124, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 5 CYM HA 6 PRO HD2 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  84, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 5 CYM HA 6 PRO HD3 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  85, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 5 CYM HA 6 PRO HG3 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5 CYM HB2 10 SER H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 132, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 5 CYM HB2 35 TRP HH2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 5 CYM HB2 9 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 122, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 5 CYM HB3 10 SER H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 132, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 5 CYM HB3 8 CYM H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 112, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 5 CYM HB3 8 CYM HB3 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 116, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 5 CYM HB3 9 ALA H 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 122, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 6 PRO HB3 33 ASN HD21 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 475, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 6 PRO HB3 7 GLU H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  97, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 6 PRO HD3 33 ASN HD21 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 475, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 6 PRO HD3 33 ASN HD22 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 474, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 6 PRO HD3 7 GLU H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  97, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 6 PRO HG2 33 ASN HD21 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 475, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 6 PRO HG3 33 ASN HD21 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 475, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 6 PRO HG3 7 GLU H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  97, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 7 GLU H 33 ASN HD22 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 474, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 7 GLU H 7 GLU HB2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 101, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 7 GLU H 7 GLU HB3 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 102, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 7 GLU H 7 GLU QG 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 104, 105,
 &end
#
# 7 GLU H 8 CYM H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 112, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 7 GLU H 9 ALA H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 122, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 7 GLU HA 7 GLU QG 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 104, 105,
 &end
#
# 7 GLU HB2 8 CYM H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 112, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 7 GLU HB3 7 GLU QG 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2= 104, 105,
 &end
#
# 7 GLU HB3 8 CYM H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 7 GLU QG 33 ASN HB3 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 104, 105,
 &end
#
# 7 GLU QG 33 ASN HD21 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 104, 105,
 &end
#
# 7 GLU QG 33 ASN HD22 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 104, 105,
 &end
#
# 7 GLU QG 8 CYM H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 104, 105,
 &end
#
# 8 CYM H 8 CYM HB3 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 8 CYM H 9 ALA H 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 122, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 8 CYM HA 9 ALA QB 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 126, 127, 128,
 &end
#
# 9 ALA H 10 SER H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 132, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 9 ALA H 10 SER HB2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 136, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 9 ALA H 9 ALA HA 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 124, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 9 ALA H 9 ALA QB 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 126, 127, 128,
 &end
#
# 9 ALA QB 10 SER H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 126, 127, 128,
 &end
#
# 10 SER H 10 SER HB2 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 136, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 10 SER H 10 SER HB3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 137, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 10 SER HA 11 ARG H 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 10 SER HB2 11 ARG H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 143, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 10 SER HB3 11 ARG H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 143, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 11 ARG H 11 ARG HB2 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 11 ARG H 11 ARG QG 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 150, 151,
 &end
#
# 11 ARG HA 12 TYR H 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 167, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 11 ARG HB3 11 ARG QD 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 153, 154,
 &end
#
# 11 ARG HB3 12 TYR H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 167, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 11 ARG QG 12 TYR H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 150, 151,
 &end
#
# 12 TYR H 12 TYR HB2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 12 TYR H 12 TYR HB3 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 172, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 12 TYR H 12 TYR QD 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 175, 184,
 &end
#
# 12 TYR H 13 PHE H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 188, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 12 TYR HA 13 PHE QD 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 196, 204,
 &end
#
# 12 TYR QD 13 PHE HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 175, 184,
 &end
#
# 13 PHE H 13 PHE HB2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 13 PHE H 13 PHE HB3 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 193, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 13 PHE HB2 14 VAL H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 208, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 13 PHE HB3 14 VAL H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 13 PHE QD 14 VAL HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 196, 204,
 &end
#
# 14 VAL H 14 VAL HB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 212, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 14 VAL H 14 VAL QG2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 218, 219, 220,
 &end
#
# 14 VAL H 14 VAL QQG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 214, 215, 216, 218, 219, 220,
 &end
#
# 14 VAL H 15 ASP H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 14 VAL HA 14 VAL QQG 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 214, 215, 216, 218, 219, 220,
 &end
#
# 14 VAL HA 15 ASP H 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 224, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 14 VAL HB 15 ASP H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 224, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 14 VAL HB 18 LYS HG2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 266, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 14 VAL QG2 15 ASP H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 218, 219, 220,
 &end
#
# 14 VAL QQG 15 ASP H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 214, 215, 216, 218, 219, 220,
 &end
#
# 14 VAL QQG 18 LYS HE3 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 214, 215, 216, 218, 219, 220,
 &end
#
# 14 VAL QQG 18 LYS HG2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 214, 215, 216, 218, 219, 220,
 &end
#
# 14 VAL QQG 18 LYS QB 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 214, 215, 216, 218, 219, 220,
 igr2= 263, 264,
 &end
#
# 15 ASP H 15 ASP HA 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 226, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 15 ASP H 15 ASP QB 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 228, 229,
 &end
#
# 15 ASP HA 15 ASP QB 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 228, 229,
 &end
#
# 15 ASP HA 16 ASP H 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
# 15 ASP QB 16 ASP H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 228, 229,
 &end
#
# 15 ASP QB 18 LYS H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 228, 229,
 &end
#
# 15 ASP QB 18 LYS QB 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 228, 229,
 igr2= 263, 264,
 &end
#
# 16 ASP H 16 ASP QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 240, 241,
 &end
#
# 16 ASP H 17 SER H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 248, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 16 ASP HA 16 ASP QB 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 240, 241,
 &end
#
# 16 ASP HA 19 VAL H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 281, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 16 ASP HA 19 VAL HB 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 285, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 16 ASP HA 19 VAL QG2 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 291, 292, 293,
 &end
#
# 16 ASP QB 17 SER H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 240, 241,
 &end
#
# 16 ASP QB 17 SER HA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 240, 241,
 &end
#
# 17 SER H 17 SER QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 252, 253,
 &end
#
# 17 SER H 18 LYS H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 259, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 17 SER HA 17 SER QB 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 252, 253,
 &end
#
# 17 SER HA 19 VAL H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 281, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 17 SER QB 18 LYS H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 252, 253,
 &end
#
# 18 LYS H 18 LYS HG2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 266, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 18 LYS H 18 LYS HG3 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 267, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 18 LYS H 18 LYS QB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 263, 264,
 &end
#
# 18 LYS H 18 LYS QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 269, 270,
 &end
#
# 18 LYS H 19 VAL H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 281, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 18 LYS HA 18 LYS HE2 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 272, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 18 LYS HA 18 LYS HG2 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 266, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 18 LYS HA 18 LYS HG3 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 267, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 18 LYS HA 18 LYS QB 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 263, 264,
 &end
#
# 18 LYS HA 18 LYS QD 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 269, 270,
 &end
#
# 18 LYS HG2 18 LYS HE2 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 18 LYS HG2 18 LYS HE3 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 273, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 18 LYS HG2 18 LYS QD 2.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,
 igr2= 269, 270,
 &end
#
# 18 LYS HG3 18 LYS HE2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 18 LYS HG3 18 LYS QD 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2= 269, 270,
 &end
#
# 18 LYS QB 18 LYS HE3 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 263, 264,
 &end
#
# 19 VAL H 19 VAL HB 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 19 VAL H 19 VAL QG1 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 287, 288, 289,
 &end
#
# 19 VAL H 19 VAL QG2 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 291, 292, 293,
 &end
#
# 19 VAL HA 19 VAL QG1 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 287, 288, 289,
 &end
#
# 19 VAL HA 19 VAL QG2 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 291, 292, 293,
 &end
#
# 19 VAL HA 20 GLY H 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 297, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 19 VAL HA 24 ARG HB2 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 341, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 19 VAL HA 24 ARG HB3 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 342, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 19 VAL QG1 20 GLY H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 23 GLY H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 23 GLY HA2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 23 GLY HA3 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 24 ARG H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 26 VAL QG1 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 287, 288, 289,
 igr2= 383, 384, 385,
 &end
#
# 19 VAL QG1 37 ALA QB 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 287, 288, 289,
 igr2= 545, 546, 547,
 &end
#
# 19 VAL QG1 38 PHE H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 38 PHE HA 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 39 LYS H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG1 39 LYS HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 287, 288, 289,
 &end
#
# 19 VAL QG2 20 GLY H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 291, 292, 293,
 &end
#
# 19 VAL QG2 24 ARG HB3 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 291, 292, 293,
 &end
#
# 19 VAL QG2 26 VAL QG1 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 291, 292, 293,
 igr2= 383, 384, 385,
 &end
#
# 19 VAL QG2 37 ALA QB 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 291, 292, 293,
 igr2= 545, 546, 547,
 &end
#
# 20 GLY H 21 PRO HD2 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 305, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 20 GLY H 24 ARG HB2 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 341, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 20 GLY HA2 21 PRO HD2 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 305, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 20 GLY HA2 21 PRO HD3 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 306, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 20 GLY HA2 23 GLY H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 330, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 20 GLY HA3 21 PRO HD2 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 305, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 20 GLY HA3 21 PRO HD3 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 306, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 20 GLY HA3 22 ASP H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 318, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 21 PRO HD2 22 ASP H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 318, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 21 PRO QG 22 ASP H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 308, 309,
 &end
#
# 22 ASP H 22 ASP HB2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 22 ASP H 22 ASP HB3 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 22 ASP H 23 GLY H 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 330, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 22 ASP HB3 23 GLY H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 330, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 23 GLY H 24 ARG H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 337, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 23 GLY HA2 24 ARG H 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 337, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 23 GLY HA2 36 THR QG2 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 533, 534, 535,
 &end
#
# 23 GLY HA2 38 PHE HA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 553, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 23 GLY HA2 38 PHE QD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 559, 567,
 &end
#
# 23 GLY HA3 24 ARG H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 337, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 23 GLY HA3 36 THR QG2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 533, 534, 535,
 &end
#
# 23 GLY HA3 38 PHE QD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 559, 567,
 &end
#
# 24 ARG H 24 ARG HB2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 24 ARG H 24 ARG HB3 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 24 ARG H 36 THR HA 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 529, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 24 ARG H 36 THR QG2 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 533, 534, 535,
 &end
#
# 24 ARG H 37 ALA H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 541, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 24 ARG H 37 ALA QB 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 545, 546, 547,
 &end
#
# 24 ARG HA 24 ARG HD3 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 348, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 24 ARG HA 25 VAL H 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 24 ARG HA 25 VAL QG1 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 367, 368, 369,
 &end
#
# 24 ARG HA 36 THR QG2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 533, 534, 535,
 &end
#
# 24 ARG HB2 25 VAL H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 361, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 24 ARG HB3 25 VAL H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 24 ARG HB3 37 ALA QB 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 545, 546, 547,
 &end
#
# 24 ARG HD3 25 VAL H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 361, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 25 VAL H 25 VAL HB 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 25 VAL H 25 VAL QG1 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 367, 368, 369,
 &end
#
# 25 VAL H 25 VAL QG2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 371, 372, 373,
 &end
#
# 25 VAL H 36 THR HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 529, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 25 VAL HA 25 VAL QG1 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 367, 368, 369,
 &end
#
# 25 VAL HA 25 VAL QG2 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 371, 372, 373,
 &end
#
# 25 VAL HA 26 VAL H 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 377, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 25 VAL HA 26 VAL QG2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 387, 388, 389,
 &end
#
# 25 VAL HA 36 THR QG2 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 533, 534, 535,
 &end
#
# 25 VAL HA 37 ALA H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 541, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 25 VAL QG1 26 VAL H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 367, 368, 369,
 &end
#
# 25 VAL QG1 36 THR HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 367, 368, 369,
 &end
#
# 25 VAL QG2 26 VAL H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 371, 372, 373,
 &end
#
# 25 VAL QG2 26 VAL QG2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 371, 372, 373,
 igr2= 387, 388, 389,
 &end
#
# 25 VAL QG2 34 ARG HB2 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 371, 372, 373,
 &end
#
# 25 VAL QG2 34 ARG QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 371, 372, 373,
 igr2= 489, 490,
 &end
#
# 25 VAL QG2 34 ARG QG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 371, 372, 373,
 igr2= 486, 487,
 &end
#
# 25 VAL QG2 35 TRP H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 371, 372, 373,
 &end
#
# 25 VAL QG2 36 THR HA 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 371, 372, 373,
 &end
#
# 26 VAL H 26 VAL QG1 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 383, 384, 385,
 &end
#
# 26 VAL H 26 VAL QG2 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 387, 388, 389,
 &end
#
# 26 VAL H 27 ARG H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 393, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 26 VAL H 36 THR HA 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 529, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 26 VAL H 37 ALA H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 541, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 26 VAL HA 27 ARG H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 393, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 26 VAL HB 27 ARG H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 26 VAL QG1 27 ARG H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 383, 384, 385,
 &end
#
# 26 VAL QG1 37 ALA H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 383, 384, 385,
 &end
#
# 26 VAL QG1 37 ALA QB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 383, 384, 385,
 igr2= 545, 546, 547,
 &end
#
# 26 VAL QG2 27 ARG H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 387, 388, 389,
 &end
#
# 26 VAL QG2 35 TRP H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 387, 388, 389,
 &end
#
# 26 VAL QG2 37 ALA H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 387, 388, 389,
 &end
#
# 26 VAL QG2 37 ALA QB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 387, 388, 389,
 igr2= 545, 546, 547,
 &end
#
# 27 ARG H 27 ARG HB2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 27 ARG H 27 ARG HB3 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 27 ARG HA 27 ARG QD 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 403, 404,
 &end
#
# 27 ARG HA 27 ARG QG 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 400, 401,
 &end
#
# 27 ARG HA 28 CYM H 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 27 ARG HA 34 ARG HA 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 481, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 27 ARG HA 34 ARG QG 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 486, 487,
 &end
#
# 27 ARG HA 35 TRP H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 503, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 27 ARG HB2 27 ARG QD 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 403, 404,
 &end
#
# 27 ARG HB3 27 ARG QD 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 403, 404,
 &end
#
# 27 ARG QD 28 CYM H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 403, 404,
 &end
#
# 27 ARG QG 28 CYM H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 400, 401,
 &end
#
# 28 CYM H 28 CYM QB 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 422, 421,
 &end
#
# 28 CYM H 33 ASN H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 465, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 28 CYM H 34 ARG HA 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 481, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 28 CYM H 35 TRP HZ3 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 520, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 28 CYM HA 29 ALA H 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 28 CYM QB 31 CYM H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 422, 421,
 &end
#
# 28 CYM QB 31 CYM HB3 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 422, 421,
 &end
#
# 28 CYM QB 32 GLY H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 422, 421,
 &end
#
# 28 CYM QB 33 ASN H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 422, 421,
 &end
#
# 28 CYM QB 33 ASN HB2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 422, 421,
 &end
#
# 28 CYM QB 35 TRP HH2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 422, 421,
 &end
#
# 28 CYM QB 35 TRP HZ3 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 422, 421,
 &end
#
# 29 ALA H 29 ALA QB 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 431, 432, 433,
 &end
#
# 29 ALA H 30 SER H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 437, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 29 ALA QB 30 SER H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 431, 432, 433,
 &end
#
# 29 ALA QB 30 SER HA 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 431, 432, 433,
 &end
#
# 30 SER H 30 SER HB2 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 30 SER H 30 SER HB3 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 30 SER H 31 CYM H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 448, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 30 SER HB2 31 CYM H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 448, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 30 SER HB3 31 CYM H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 448, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 31 CYM H 31 CYM HB3 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 31 CYM H 32 GLY H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 458, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 32 GLY H 33 ASN H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 465, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 32 GLY H 33 ASN HB2 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 469, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 33 ASN H 33 ASN HB2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 469, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 33 ASN H 33 ASN HB3 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 33 ASN HA 34 ARG H 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 479, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 33 ASN HB2 33 ASN HD21 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 475, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 33 ASN HB2 33 ASN HD22 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 33 ASN HB2 34 ARG H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 479, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 33 ASN HB3 33 ASN HD22 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 33 ASN HB3 34 ARG H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 479, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 34 ARG H 34 ARG HB2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 34 ARG H 34 ARG HB3 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 34 ARG HA 34 ARG QD 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 489, 490,
 &end
#
# 34 ARG HA 34 ARG QG 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 486, 487,
 &end
#
# 34 ARG HA 35 TRP H 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 503, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 34 ARG HA 35 TRP HE3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 522, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 34 ARG HB2 34 ARG QD 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 489, 490,
 &end
#
# 34 ARG HB2 34 ARG QG 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 486, 487,
 &end
#
# 34 ARG HB2 35 TRP H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 503, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 34 ARG HB3 34 ARG QD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 489, 490,
 &end
#
# 34 ARG QG 35 TRP H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 486, 487,
 &end
#
# 35 TRP H 35 TRP HB3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 35 TRP H 35 TRP HE3 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 35 TRP HA 35 TRP HB2 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 507, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 35 TRP HA 35 TRP HD1 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 511, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 35 TRP HA 36 THR H 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 527, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 35 TRP HB2 36 THR H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 527, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 35 TRP HB3 36 THR H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 527, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 35 TRP HD1 36 THR H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 527, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 35 TRP HD1 37 ALA HA 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 543, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 35 TRP HD1 37 ALA QB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 545, 546, 547,
 &end
#
# 35 TRP HE1 37 ALA HA 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 543, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 35 TRP HE1 37 ALA QB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 545, 546, 547,
 &end
#
# 36 THR H 36 THR HB 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 36 THR H 36 THR QG2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 533, 534, 535,
 &end
#
# 36 THR HA 36 THR QG2 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 533, 534, 535,
 &end
#
# 36 THR HA 37 ALA H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 36 THR HA 37 ALA QB 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 545, 546, 547,
 &end
#
# 36 THR HB 37 ALA H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 541, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 36 THR HB 38 PHE QD 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 559, 567,
 &end
#
# 36 THR QG2 37 ALA H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 533, 534, 535,
 &end
#
# 36 THR QG2 38 PHE QD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 533, 534, 535,
 igr2= 559, 567,
 &end
#
# 37 ALA H 37 ALA QB 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 545, 546, 547,
 &end
#
# 37 ALA HA 38 PHE H 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 551, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 37 ALA QB 38 PHE H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 545, 546, 547,
 &end
#
# 38 PHE H 38 PHE HB2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 555, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 38 PHE H 38 PHE HB3 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 38 PHE H 38 PHE QD 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 559, 567,
 &end
#
# 38 PHE HA 38 PHE QD 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 559, 567,
 &end
#
# 38 PHE HA 39 LYS H 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 571, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 38 PHE HB2 39 LYS H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 571, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 38 PHE HB3 39 LYS H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 571, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 39 LYS H 39 LYS HB2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 39 LYS H 39 LYS HB3 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 576, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 39 LYS H 39 LYS QG 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 578, 579,
 &end
#
# 39 LYS HA 39 LYS HB3 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 576, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 39 LYS HA 39 LYS HD2 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 581, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 39 LYS HA 39 LYS HE2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 584, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 39 LYS HA 39 LYS QG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 578, 579,
 &end
#
# 39 LYS HA 40 ASP H 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 593, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 39 LYS HA 40 ASP HB3 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 598, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 39 LYS HB3 39 LYS HD2 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 581, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 39 LYS HB3 40 ASP H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 39 LYS HE2 40 ASP H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 593, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 39 LYS QG 40 ASP H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 578, 579,
 &end
#
# 39 LYS QG 40 ASP HA 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 578, 579,
 &end
#
# 39 LYS QG 40 ASP HB2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 578, 579,
 &end
#
# 40 ASP H 40 ASP HB2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 40 ASP H 40 ASP HB3 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 598, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 40 ASP H 41 GLU HA 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 607, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 40 ASP H 42 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 620, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 40 ASP HA 42 ALA H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 620, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 40 ASP HB3 41 GLU H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 605, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 41 GLU H 41 GLU HB2 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 609, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 41 GLU H 41 GLU HB3 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 610, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 41 GLU H 41 GLU QG 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 612, 613,
 &end
#
# 41 GLU H 42 ALA H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 620, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 41 GLU H 42 ALA QB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 624, 625, 626,
 &end
#
# 41 GLU HA 41 GLU QG 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 612, 613,
 &end
#
# 41 GLU HB3 41 GLU QG 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 612, 613,
 &end
#
# 41 GLU HB3 42 ALA H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 620, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 41 GLU HB3 42 ALA QB 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 624, 625, 626,
 &end
#
# 42 ALA H 42 ALA HA 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 622, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 42 ALA H 42 ALA QB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 624, 625, 626,
 &end
#
# 42 ALA H 43 GLU HB2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 634, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 42 ALA HA 43 GLU H 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 630, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 42 ALA QB 43 GLU H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 624, 625, 626,
 &end
#
# 43 GLU H 43 GLU HB2 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 43 GLU H 43 GLU HB3 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 43 GLU H 43 GLU QG 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 637, 638,
 &end
#
# 43 GLU HA 43 GLU HB2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 634, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 43 GLU HA 43 GLU QG 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 637, 638,
 &end
#
# 43 GLU HB2 43 GLU QG 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr2= 637, 638,
 &end
#
# 43 GLU HB3 43 GLU QG 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr2= 637, 638,
 &end
#
# 31 CYM SG 5 CYM SG 3.6 
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 31 CYM SG 8 CYM SG 3.6 
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 CYM SG 28 CYM SG 3.6 
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 423, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 5 CYM SG 8 CYM SG 3.6 
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 5 CYM SG 28 CYM SG 3.6 
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 423, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 8 CYM SG 28 CYM SG 3.6 
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 423, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 CYM SG 8 CYM SG 3.9 
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 118, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 31 CYM SG 28 CYM SG 3.9 
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 423, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 8 CYM SG 28 CYM SG 3.9 
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 423, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 3 LEU H 12 TYR O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 186, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 3 LEU N 12 TYR O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 186, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 12 TYR H 3 LEU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  57, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 12 TYR N 3 LEU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  57, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 5 CYM H 10 SER O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 141, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 5 CYM N 10 SER O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 141, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 5 CYM O 9 ALA H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 122, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 5 CYM O 9 ALA N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 121, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 28 CYM H 33 ASN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 477, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 28 CYM N 33 ASN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 477, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 26 VAL O 35 TRP H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 503, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 26 VAL O 35 TRP N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 502, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 26 VAL H 35 TRP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 525, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 26 VAL N 35 TRP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 525, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 37 ALA H 24 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 359, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 37 ALA N 24 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 359, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 37 ALA O 24 ARG H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 337, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 37 ALA O 24 ARG N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 336, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 15 ASP O 18 LYS H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 259, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 15 ASP O 18 LYS N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 258, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
# 752 atoms read from pdb file amber_cycle001.pdb.
# 2 ILE PHI:  (1 MET C)-(2 ILE N)-(2 ILE CA)-(2 ILE C) -138.9 -84.9
 &rst     iat =    18,    20,    22,    37,
   r1 = -139.9, r2 = -138.9, r3 = -84.9, r4 = -83.9,
   rk2 =   400, rk3 =   400,    &end

# 2 ILE PSI:  (2 ILE N)-(2 ILE CA)-(2 ILE C)-(3 LEU N)  92.3 152.5
 &rst     iat =    20,    22,    37,    39,
   r1 =  91.3, r2 =  92.3, r3 = 152.5, r4 = 153.5,
 &end

# 3 LEU PHI:  (2 ILE C)-(3 LEU N)-(3 LEU CA)-(3 LEU C) -132.1 -86.6
 &rst     iat =    37,    39,    41,    56,
   r1 = -133.1, r2 = -132.1, r3 = -86.6, r4 = -85.6,
 &end

# 3 LEU PSI:  (3 LEU N)-(3 LEU CA)-(3 LEU C)-(4 THR N) 108.1 149.3
 &rst     iat =    39,    41,    56,    58,
   r1 = 107.1, r2 = 108.1, r3 = 149.3, r4 = 150.3,
 &end

# 4 THR PHI:  (3 LEU C)-(4 THR N)-(4 THR CA)-(4 THR C) -132.9 -83.5
 &rst     iat =    56,    58,    60,    70,
   r1 = -133.9, r2 = -132.9, r3 = -83.5, r4 = -82.5,
 &end

# 4 THR PSI:  (4 THR N)-(4 THR CA)-(4 THR C)-(5 CYM N)  95.4 143.5
 &rst     iat =    58,    60,    70,    72,
   r1 =  94.4, r2 =  95.4, r3 = 143.5, r4 = 144.5,
 &end

# 5 CYS PHI:  (4 THR C)-(5 CYM N)-(5 CYM CA)-(5 CYM C) -156.7 -36.4
 &rst     iat =    70,    72,    74,    80,
   r1 = -157.7, r2 = -156.7, r3 = -36.4, r4 = -35.4,
 &end

# 5 CYS PSI:  (5 CYM N)-(5 CYM CA)-(5 CYM C)-(6 PRO N)  84.9 156.1
 &rst     iat =    72,    74,    80,    82,
   r1 =  83.9, r2 =  84.9, r3 = 156.1, r4 = 157.1,
 &end

# 7 GLU PHI:  (6 PRO C)-(7 GLU N)-(7 GLU CA)-(7 GLU C) -132.4 -49.8
 &rst     iat =    94,    96,    98,   109,
   r1 = -133.4, r2 = -132.4, r3 = -49.8, r4 = -48.8,
 &end

# 7 GLU PSI:  (7 GLU N)-(7 GLU CA)-(7 GLU C)-(8 CYM N) -50.8  21.2
 &rst     iat =    96,    98,   109,   111,
   r1 = -51.8, r2 = -50.8, r3 =  21.2, r4 =  22.2,
 &end

# 11 ARG PHI:  (10 SER C)-(11 ARG N)-(11 ARG CA)-(11 ARG C) -185.5 -86.3
 &rst     iat =   140,   142,   144,   164,
   r1 = -186.5, r2 = -185.5, r3 = -86.3, r4 = -85.3,
 &end

# 11 ARG PSI:  (11 ARG N)-(11 ARG CA)-(11 ARG C)-(12 TYR N) 121.5 181.9
 &rst     iat =   142,   144,   164,   166,
   r1 = 120.5, r2 = 121.5, r3 = 181.9, r4 = 182.9,
 &end

# 12 TYR PHI:  (11 ARG C)-(12 TYR N)-(12 TYR CA)-(12 TYR C) -153.4 -111.7
 &rst     iat =   164,   166,   168,   185,
   r1 = -154.4, r2 = -153.4, r3 = -111.7, r4 = -110.7,
 &end

# 12 TYR PSI:  (12 TYR N)-(12 TYR CA)-(12 TYR C)-(13 PHE N) 127.1 167.4
 &rst     iat =   166,   168,   185,   187,
   r1 = 126.1, r2 = 127.1, r3 = 167.4, r4 = 168.4,
 &end

# 13 PHE PHI:  (12 TYR C)-(13 PHE N)-(13 PHE CA)-(13 PHE C) -142.7 -71.7
 &rst     iat =   185,   187,   189,   205,
   r1 = -143.7, r2 = -142.7, r3 = -71.7, r4 = -70.7,
 &end

# 13 PHE PSI:  (13 PHE N)-(13 PHE CA)-(13 PHE C)-(14 VAL N)  97.9 149.1
 &rst     iat =   187,   189,   205,   207,
   r1 =  96.9, r2 =  97.9, r3 = 149.1, r4 = 150.1,
 &end

# 14 VAL PHI:  (13 PHE C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -155.4 -97.2
 &rst     iat =   205,   207,   209,   221,
   r1 = -156.4, r2 = -155.4, r3 = -97.2, r4 = -96.2,
 &end

# 14 VAL PSI:  (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 ASP N) 109.8 165.0
 &rst     iat =   207,   209,   221,   223,
   r1 = 108.8, r2 = 109.8, r3 = 165.0, r4 = 166.0,
 &end

# 15 ASP PHI:  (14 VAL C)-(15 ASP N)-(15 ASP CA)-(15 ASP C) -103.9 -56.7
 &rst     iat =   221,   223,   225,   233,
   r1 = -104.9, r2 = -103.9, r3 = -56.7, r4 = -55.7,
 &end

# 15 ASP PSI:  (15 ASP N)-(15 ASP CA)-(15 ASP C)-(16 ASP N) 105.7 172.0
 &rst     iat =   223,   225,   233,   235,
   r1 = 104.7, r2 = 105.7, r3 = 172.0, r4 = 173.0,
 &end

# 16 ASP PHI:  (15 ASP C)-(16 ASP N)-(16 ASP CA)-(16 ASP C) -77.8 -37.8
 &rst     iat =   233,   235,   237,   245,
   r1 = -78.8, r2 = -77.8, r3 = -37.8, r4 = -36.8,
 &end

# 16 ASP PSI:  (16 ASP N)-(16 ASP CA)-(16 ASP C)-(17 SER N) -61.2  -8.3
 &rst     iat =   235,   237,   245,   247,
   r1 = -62.2, r2 = -61.2, r3 =  -8.3, r4 =  -7.3,
 &end

# 17 SER PHI:  (16 ASP C)-(17 SER N)-(17 SER CA)-(17 SER C) -94.8 -49.9
 &rst     iat =   245,   247,   249,   256,
   r1 = -95.8, r2 = -94.8, r3 = -49.9, r4 = -48.9,
 &end

# 17 SER PSI:  (17 SER N)-(17 SER CA)-(17 SER C)-(18 LYS N) -49.8  14.5
 &rst     iat =   247,   249,   256,   258,
   r1 = -50.8, r2 = -49.8, r3 =  14.5, r4 =  15.5,
 &end

# 18 LYS PHI:  (17 SER C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) -132.5 -51.4
 &rst     iat =   256,   258,   260,   278,
   r1 = -133.5, r2 = -132.5, r3 = -51.4, r4 = -50.4,
 &end

# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 VAL N) -44.7  42.8
 &rst     iat =   258,   260,   278,   280,
   r1 = -45.7, r2 = -44.7, r3 =  42.8, r4 =  43.8,
 &end

# 19 VAL PHI:  (18 LYS C)-(19 VAL N)-(19 VAL CA)-(19 VAL C) -183.0 -43.0
 &rst     iat =   278,   280,   282,   294,
   r1 = -184.0, r2 = -183.0, r3 = -43.0, r4 = -42.0,
 &end

# 19 VAL PSI:  (19 VAL N)-(19 VAL CA)-(19 VAL C)-(20 GLY N)  94.4 194.9
 &rst     iat =   280,   282,   294,   296,
   r1 =  93.4, r2 =  94.4, r3 = 194.9, r4 = 195.9,
 &end

# 20 GLY PHI:  (19 VAL C)-(20 GLY N)-(20 GLY CA)-(20 GLY C) -127.6 -21.6
 &rst     iat =   294,   296,   298,   301,
   r1 = -128.6, r2 = -127.6, r3 = -21.6, r4 = -20.6,
 &end

# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 PRO N)  97.1 191.9
 &rst     iat =   296,   298,   301,   303,
   r1 =  96.1, r2 =  97.1, r3 = 191.9, r4 = 192.9,
 &end

# 22 ASP PHI:  (21 PRO C)-(22 ASP N)-(22 ASP CA)-(22 ASP C) -109.5 -63.2
 &rst     iat =   315,   317,   319,   327,
   r1 = -110.5, r2 = -109.5, r3 = -63.2, r4 = -62.2,
 &end

# 22 ASP PSI:  (22 ASP N)-(22 ASP CA)-(22 ASP C)-(23 GLY N) -40.5  37.6
 &rst     iat =   317,   319,   327,   329,
   r1 = -41.5, r2 = -40.5, r3 =  37.6, r4 =  38.6,
 &end

# 24 ARG PHI:  (23 GLY C)-(24 ARG N)-(24 ARG CA)-(24 ARG C) -195.4 -55.4
 &rst     iat =   334,   336,   338,   358,
   r1 = -196.4, r2 = -195.4, r3 = -55.4, r4 = -54.4,
 &end

# 24 ARG PSI:  (24 ARG N)-(24 ARG CA)-(24 ARG C)-(25 VAL N) 108.8 161.4
 &rst     iat =   336,   338,   358,   360,
   r1 = 107.8, r2 = 108.8, r3 = 161.4, r4 = 162.4,
 &end

# 25 VAL PHI:  (24 ARG C)-(25 VAL N)-(25 VAL CA)-(25 VAL C) -115.6 -44.4
 &rst     iat =   358,   360,   362,   374,
   r1 = -116.6, r2 = -115.6, r3 = -44.4, r4 = -43.4,
 &end

# 25 VAL PSI:  (25 VAL N)-(25 VAL CA)-(25 VAL C)-(26 VAL N) 111.9 154.7
 &rst     iat =   360,   362,   374,   376,
   r1 = 110.9, r2 = 111.9, r3 = 154.7, r4 = 155.7,
 &end

# 26 VAL PHI:  (25 VAL C)-(26 VAL N)-(26 VAL CA)-(26 VAL C) -171.1 -106.9
 &rst     iat =   374,   376,   378,   390,
   r1 = -172.1, r2 = -171.1, r3 = -106.9, r4 = -105.9,
 &end

# 26 VAL PSI:  (26 VAL N)-(26 VAL CA)-(26 VAL C)-(27 ARG N) 144.2 184.2
 &rst     iat =   376,   378,   390,   392,
   r1 = 143.2, r2 = 144.2, r3 = 184.2, r4 = 185.2,
 &end

# 27 ARG PHI:  (26 VAL C)-(27 ARG N)-(27 ARG CA)-(27 ARG C) -162.7 -92.7
 &rst     iat =   390,   392,   394,   414,
   r1 = -163.7, r2 = -162.7, r3 = -92.7, r4 = -91.7,
 &end

# 27 ARG PSI:  (27 ARG N)-(27 ARG CA)-(27 ARG C)-(28 CYM N) 108.6 148.7
 &rst     iat =   392,   394,   414,   416,
   r1 = 107.6, r2 = 108.6, r3 = 148.7, r4 = 149.7,
 &end

# 28 CYS PHI:  (27 ARG C)-(28 CYM N)-(28 CYM CA)-(28 CYM C) -149.7  -9.7
 &rst     iat =   414,   416,   418,   424,
   r1 = -150.7, r2 = -149.7, r3 =  -9.7, r4 =  -8.7,
 &end

# 28 CYS PSI:  (28 CYM N)-(28 CYM CA)-(28 CYM C)-(29 ALA N)  58.2 198.2
 &rst     iat =   416,   418,   424,   426,
   r1 =  57.2, r2 =  58.2, r3 = 198.2, r4 = 199.2,
 &end

# 29 ALA PHI:  (28 CYM C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -81.3 -41.3
 &rst     iat =   424,   426,   428,   434,
   r1 = -82.3, r2 = -81.3, r3 = -41.3, r4 = -40.3,
 &end

# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 SER N) -56.9  12.6
 &rst     iat =   426,   428,   434,   436,
   r1 = -57.9, r2 = -56.9, r3 =  12.6, r4 =  13.6,
 &end

# 30 SER PHI:  (29 ALA C)-(30 SER N)-(30 SER CA)-(30 SER C) -113.0 -44.0
 &rst     iat =   434,   436,   438,   445,
   r1 = -114.0, r2 = -113.0, r3 = -44.0, r4 = -43.0,
 &end

# 30 SER PSI:  (30 SER N)-(30 SER CA)-(30 SER C)-(31 CYM N) -56.5  -2.1
 &rst     iat =   436,   438,   445,   447,
   r1 = -57.5, r2 = -56.5, r3 =  -2.1, r4 =  -1.1,
 &end

# 33 ASN PHI:  (32 GLY C)-(33 ASN N)-(33 ASN CA)-(33 ASN C) -154.6 -31.7
 &rst     iat =   462,   464,   466,   476,
   r1 = -155.6, r2 = -154.6, r3 = -31.7, r4 = -30.7,
 &end

# 33 ASN PSI:  (33 ASN N)-(33 ASN CA)-(33 ASN C)-(34 ARG N) 112.4 152.4
 &rst     iat =   464,   466,   476,   478,
   r1 = 111.4, r2 = 112.4, r3 = 152.4, r4 = 153.4,
 &end

# 34 ARG PHI:  (33 ASN C)-(34 ARG N)-(34 ARG CA)-(34 ARG C) -137.5 -91.2
 &rst     iat =   476,   478,   480,   500,
   r1 = -138.5, r2 = -137.5, r3 = -91.2, r4 = -90.2,
 &end

# 34 ARG PSI:  (34 ARG N)-(34 ARG CA)-(34 ARG C)-(35 TRP N) 117.8 157.8
 &rst     iat =   478,   480,   500,   502,
   r1 = 116.8, r2 = 117.8, r3 = 157.8, r4 = 158.8,
 &end

# 35 TRP PHI:  (34 ARG C)-(35 TRP N)-(35 TRP CA)-(35 TRP C) -165.0 -97.2
 &rst     iat =   500,   502,   504,   524,
   r1 = -166.0, r2 = -165.0, r3 = -97.2, r4 = -96.2,
 &end

# 35 TRP PSI:  (35 TRP N)-(35 TRP CA)-(35 TRP C)-(36 THR N) 115.0 180.9
 &rst     iat =   502,   504,   524,   526,
   r1 = 114.0, r2 = 115.0, r3 = 180.9, r4 = 181.9,
 &end

# 36 THR PHI:  (35 TRP C)-(36 THR N)-(36 THR CA)-(36 THR C) -135.1 -63.7
 &rst     iat =   524,   526,   528,   538,
   r1 = -136.1, r2 = -135.1, r3 = -63.7, r4 = -62.7,
 &end

# 36 THR PSI:  (36 THR N)-(36 THR CA)-(36 THR C)-(37 ALA N) 102.9 142.9
 &rst     iat =   526,   528,   538,   540,
   r1 = 101.9, r2 = 102.9, r3 = 142.9, r4 = 143.9,
 &end

# 37 ALA PHI:  (36 THR C)-(37 ALA N)-(37 ALA CA)-(37 ALA C) -160.9 -70.7
 &rst     iat =   538,   540,   542,   548,
   r1 = -161.9, r2 = -160.9, r3 = -70.7, r4 = -69.7,
 &end

# 37 ALA PSI:  (37 ALA N)-(37 ALA CA)-(37 ALA C)-(38 PHE N) 117.0 185.4
 &rst     iat =   540,   542,   548,   550,
   r1 = 116.0, r2 = 117.0, r3 = 185.4, r4 = 186.4,
 &end

# 38 PHE PHI:  (37 ALA C)-(38 PHE N)-(38 PHE CA)-(38 PHE C) -168.6 -65.8
 &rst     iat =   548,   550,   552,   568,
   r1 = -169.6, r2 = -168.6, r3 = -65.8, r4 = -64.8,
 &end

# 38 PHE PSI:  (38 PHE N)-(38 PHE CA)-(38 PHE C)-(39 LYS N) 120.0 175.0
 &rst     iat =   550,   552,   568,   570,
   r1 = 119.0, r2 = 120.0, r3 = 175.0, r4 = 176.0,
 &end

# 39 LYS PHI:  (38 PHE C)-(39 LYS N)-(39 LYS CA)-(39 LYS C) -140.4 -29.5
 &rst     iat =   568,   570,   572,   590,
   r1 = -141.4, r2 = -140.4, r3 = -29.5, r4 = -28.5,
 &end

# 39 LYS PSI:  (39 LYS N)-(39 LYS CA)-(39 LYS C)-(40 ASP N) 118.7 168.2
 &rst     iat =   570,   572,   590,   592,
   r1 = 117.7, r2 = 118.7, r3 = 168.2, r4 = 169.2,
 &end

# 41 GLU PHI:  (40 ASP C)-(41 GLU N)-(41 GLU CA)-(41 GLU C) -87.4 -47.4
 &rst     iat =   602,   604,   606,   617,
   r1 = -88.4, r2 = -87.4, r3 = -47.4, r4 = -46.4,
 &end

# 41 GLU PSI:  (41 GLU N)-(41 GLU CA)-(41 GLU C)-(42 ALA N) -61.1 -18.1
 &rst     iat =   604,   606,   617,   619,
   r1 = -62.1, r2 = -61.1, r3 = -18.1, r4 = -17.1,
 &end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3 = 200.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG2 CG1 HB
 &rst iat=22,26,30,25, &end
#
#  chirality for residue 2 atoms:  CB CD1 HG12 HG13
 &rst iat=24,33,31,32, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,37,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=43,48,52,47, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=39,56,42,43, &end
#
#  chirality for residue 4 atoms:  CA CG2 OG1 HB
 &rst iat=60,64,68,63, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=58,70,61,62, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=92,86,90,91, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=89,83,87,88, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=86,82,84,85, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=82,94,93,89, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=98,103,101,102, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=100,106,104,105, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=96,109,99,100, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=121,129,124,125, &end
#
#  chirality for residue 10 atoms:  CA OG HB2 HB3
 &rst iat=133,138,136,137, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=131,140,134,135, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=144,149,147,148, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=146,152,150,151, &end
#
#  chirality for residue 11 atoms:  CG NE HD2 HD3
 &rst iat=149,155,153,154, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=142,164,145,146, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=168,173,171,172, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=166,185,169,170, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=189,194,192,193, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=187,205,190,191, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat=209,213,217,212, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=207,221,210,211, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=225,230,228,229, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=223,233,226,227, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=237,242,240,241, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=235,245,238,239, &end
#
#  chirality for residue 17 atoms:  CA OG HB2 HB3
 &rst iat=249,254,252,253, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=247,256,250,251, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=260,265,263,264, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=262,268,266,267, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=268,274,272,273, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=265,271,269,270, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=258,278,261,262, &end
#
#  chirality for residue 19 atoms:  CA CG1 CG2 HB
 &rst iat=282,286,290,285, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=280,294,283,284, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=296,301,299,300, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=313,307,311,312, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=310,304,308,309, &end
#
#  chirality for residue 21 atoms:  CG N HD2 HD3
 &rst iat=307,303,305,306, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=303,315,314,310, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=317,327,320,321, &end
#
#  chirality for residue 23 atoms:  N C HA2 HA3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=338,343,341,342, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=340,346,344,345, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=343,349,347,348, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=336,358,339,340, &end
#
#  chirality for residue 25 atoms:  CA CG1 CG2 HB
 &rst iat=362,366,370,365, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=360,374,363,364, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=378,382,386,381, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=376,390,379,380, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=396,402,400,401, &end
#
#  chirality for residue 27 atoms:  CG NE HD2 HD3
 &rst iat=399,405,403,404, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=392,414,395,396, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=426,434,429,430, &end
#
#  chirality for residue 30 atoms:  CA OG HB2 HB3
 &rst iat=438,443,441,442, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=436,445,439,440, &end
#
#  chirality for residue 32 atoms:  N C HA2 HA3
 &rst iat=457,462,460,461, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=466,471,469,470, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=464,476,467,468, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=482,488,486,487, &end
#
#  chirality for residue 34 atoms:  CG NE HD2 HD3
 &rst iat=485,491,489,490, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=478,500,481,482, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=504,509,507,508, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=502,524,505,506, &end
#
#  chirality for residue 36 atoms:  CA CG2 OG1 HB
 &rst iat=528,532,536,531, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=526,538,529,530, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=540,548,543,544, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=552,557,555,556, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=550,568,553,554, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=572,577,575,576, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=574,580,578,579, &end
#
#  chirality for residue 39 atoms:  CD NZ HE2 HE3
 &rst iat=580,586,584,585, &end
#
#  chirality for residue 39 atoms:  CG CE HD2 HD3
 &rst iat=577,583,581,582, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=570,590,573,574, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=594,599,597,598, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=592,602,595,596, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=606,611,609,610, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=608,614,612,613, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=604,617,607,608, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=619,627,622,623, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=631,636,634,635, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=633,639,637,638, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=629,642,632,633, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=646,651,649,650, &end
#
#  chirality for residue 44 atoms:  CB CD1 CD2 HG
 &rst iat=648,653,657,652, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=644,661,647,648, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=665,670,668,669, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=667,673,671,672, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=663,676,666,667, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=680,685,683,684, &end
#
#  chirality for residue 46 atoms:  CB CD1 CD2 HG
 &rst iat=682,687,691,686, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=678,695,681,682, &end
#
#  chirality for residue 47 atoms:  CA CG1 CG2 HB
 &rst iat=699,703,707,702, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=697,711,700,701, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=723,717,721,722, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=720,714,718,719, &end
#
#  chirality for residue 48 atoms:  CG N HD2 HD3
 &rst iat=717,713,715,716, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=713,725,724,720, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=729,734,732,733, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=731,737,735,736, &end
#
#  chirality for residue 49 atoms:  CG NE HD2 HD3
 &rst iat=734,740,738,739, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=727,749,730,731, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=41,39,37,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=60,58,56,41, &end
#
#  trans-omega constraint for residue 5
 &rst iat=74,72,70,60, &end
#
#  trans-omega constraint for residue 6
 &rst iat=92,82,80,74, &end
#
#  trans-omega constraint for residue 7
 &rst iat=98,96,94,92, &end
#
#  trans-omega constraint for residue 8
 &rst iat=113,111,109,98, &end
#
#  trans-omega constraint for residue 9
 &rst iat=123,121,119,113, &end
#
#  trans-omega constraint for residue 10
 &rst iat=133,131,129,123, &end
#
#  trans-omega constraint for residue 11
 &rst iat=144,142,140,133, &end
#
#  trans-omega constraint for residue 12
 &rst iat=168,166,164,144, &end
#
#  trans-omega constraint for residue 13
 &rst iat=189,187,185,168, &end
#
#  trans-omega constraint for residue 14
 &rst iat=209,207,205,189, &end
#
#  trans-omega constraint for residue 15
 &rst iat=225,223,221,209, &end
#
#  trans-omega constraint for residue 16
 &rst iat=237,235,233,225, &end
#
#  trans-omega constraint for residue 17
 &rst iat=249,247,245,237, &end
#
#  trans-omega constraint for residue 18
 &rst iat=260,258,256,249, &end
#
#  trans-omega constraint for residue 19
 &rst iat=282,280,278,260, &end
#
#  trans-omega constraint for residue 20
 &rst iat=298,296,294,282, &end
#
#  trans-omega constraint for residue 21
 &rst iat=313,303,301,298, &end
#
#  trans-omega constraint for residue 22
 &rst iat=319,317,315,313, &end
#
#  trans-omega constraint for residue 23
 &rst iat=331,329,327,319, &end
#
#  trans-omega constraint for residue 24
 &rst iat=338,336,334,331, &end
#
#  trans-omega constraint for residue 25
 &rst iat=362,360,358,338, &end
#
#  trans-omega constraint for residue 26
 &rst iat=378,376,374,362, &end
#
#  trans-omega constraint for residue 27
 &rst iat=394,392,390,378, &end
#
#  trans-omega constraint for residue 28
 &rst iat=418,416,414,394, &end
#
#  trans-omega constraint for residue 29
 &rst iat=428,426,424,418, &end
#
#  trans-omega constraint for residue 30
 &rst iat=438,436,434,428, &end
#
#  trans-omega constraint for residue 31
 &rst iat=449,447,445,438, &end
#
#  trans-omega constraint for residue 32
 &rst iat=459,457,455,449, &end
#
#  trans-omega constraint for residue 33
 &rst iat=466,464,462,459, &end
#
#  trans-omega constraint for residue 34
 &rst iat=480,478,476,466, &end
#
#  trans-omega constraint for residue 35
 &rst iat=504,502,500,480, &end
#
#  trans-omega constraint for residue 36
 &rst iat=528,526,524,504, &end
#
#  trans-omega constraint for residue 37
 &rst iat=542,540,538,528, &end
#
#  trans-omega constraint for residue 38
 &rst iat=552,550,548,542, &end
#
#  trans-omega constraint for residue 39
 &rst iat=572,570,568,552, &end
#
#  trans-omega constraint for residue 40
 &rst iat=594,592,590,572, &end
#
#  trans-omega constraint for residue 41
 &rst iat=606,604,602,594, &end
#
#  trans-omega constraint for residue 42
 &rst iat=621,619,617,606, &end
#
#  trans-omega constraint for residue 43
 &rst iat=631,629,627,621, &end
#
#  trans-omega constraint for residue 44
 &rst iat=646,644,642,631, &end
#
#  trans-omega constraint for residue 45
 &rst iat=665,663,661,646, &end
#
#  trans-omega constraint for residue 46
 &rst iat=680,678,676,665, &end
#
#  trans-omega constraint for residue 47
 &rst iat=699,697,695,680, &end
#
#  trans-omega constraint for residue 48
 &rst iat=723,713,711,699, &end
#
#  trans-omega constraint for residue 49
 &rst iat=729,727,725,723, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   2.294  -0.958  -0.603
    2    H2   MET   1           H2       MET   1   3.682  -0.284  -0.041
    3    H3   MET   1           H3       MET   1   3.497  -1.920  -0.013
    4    HA   MET   1           HA       MET   1   3.520  -2.065  -2.366
    5    HB2  MET   1           HB2      MET   1   3.874  -0.084  -3.742
    6    HB3  MET   1           HB3      MET   1   2.393   0.080  -2.782
    7    HG2  MET   1           HG2      MET   1   3.744   1.383  -1.085
    8    HG3  MET   1           HG3      MET   1   5.096   1.364  -2.220
    9    HE1  MET   1           HE1      MET   1   3.736   3.493  -5.206
   10    HE2  MET   1           HE2      MET   1   5.090   2.539  -4.556
   11    HE3  MET   1           HE3      MET   1   3.583   1.728  -5.049
   12    H    ILE   2           H        ILE   2   5.577  -1.804  -3.735
   13    HA   ILE   2           HA       ILE   2   7.932  -1.264  -2.024
   14    HB   ILE   2           HB       ILE   2   7.073  -3.756  -2.072
   15   HG12  ILE   2          HG12      ILE   2  10.001  -3.248  -2.652
   16   HG13  ILE   2          HG13      ILE   2   9.221  -2.751  -1.136
   17   HG21  ILE   2          HG21      ILE   2   8.020  -5.115  -3.866
   18   HG22  ILE   2          HG22      ILE   2   6.982  -3.870  -4.591
   19   HG23  ILE   2          HG23      ILE   2   8.753  -3.681  -4.614
   20   HD11  ILE   2          HD11      ILE   2   9.311  -5.604  -2.203
   21   HD12  ILE   2          HD12      ILE   2  10.288  -4.954  -0.871
   22   HD13  ILE   2          HD13      ILE   2   8.525  -5.065  -0.696
   23    H    LEU   3           H        LEU   3   9.840  -0.763  -3.176
   24    HA   LEU   3           HA       LEU   3   9.526  -0.366  -6.109
   25    HB2  LEU   3           HB2      LEU   3  10.564   1.621  -4.053
   26    HB3  LEU   3           HB3      LEU   3  10.648   1.848  -5.807
   27    HG   LEU   3           HG       LEU   3   8.025   1.430  -4.301
   28   HD11  LEU   3          HD11      LEU   3   9.173   3.487  -3.544
   29   HD12  LEU   3          HD12      LEU   3   9.339   4.007  -5.241
   30   HD13  LEU   3          HD13      LEU   3   7.722   3.854  -4.511
   31   HD21  LEU   3          HD21      LEU   3   7.962   0.911  -6.726
   32   HD22  LEU   3          HD22      LEU   3   7.068   2.404  -6.374
   33   HD23  LEU   3          HD23      LEU   3   8.693   2.496  -7.083
   34    H    THR   4           H        THR   4  11.462  -0.474  -7.301
   35    HA   THR   4           HA       THR   4  13.728  -1.626  -5.795
   36    HB   THR   4           HB       THR   4  13.451  -1.816  -8.775
   37    HG1  THR   4           HG1      THR   4  12.322  -3.728  -8.425
   38   HG21  THR   4          HG21      THR   4  14.712  -3.604  -6.651
   39   HG22  THR   4          HG22      THR   4  14.754  -3.873  -8.410
   40   HG23  THR   4          HG23      THR   4  15.593  -2.474  -7.703
   41    H    CYS   5           H        CYS   5  15.731  -0.766  -5.761
   42    HA   CYS   5           HA       CYS   5  15.990   1.980  -6.634
   43    HB2  CYS   5           HB2      CYS   5  16.956   1.177  -4.526
   44    HB3  CYS   5           HB3      CYS   5  17.988   0.040  -5.427
   45    HA   PRO   6           HA       PRO   6  17.729   1.027 -10.649
   46    HB2  PRO   6           HB2      PRO   6  18.893   3.767 -10.441
   47    HB3  PRO   6           HB3      PRO   6  17.828   3.089 -11.714
   48    HG2  PRO   6           HG2      PRO   6  16.910   4.894  -9.869
   49    HG3  PRO   6           HG3      PRO   6  15.892   3.545 -10.469
   50    HD2  PRO   6           HD2      PRO   6  17.423   3.730  -7.872
   51    HD3  PRO   6           HD3      PRO   6  15.782   3.084  -8.192
   52    H    GLU   7           H        GLU   7  19.461   2.006  -7.780
   53    HA   GLU   7           HA       GLU   7  22.077   1.415  -9.096
   54    HB2  GLU   7           HB2      GLU   7  21.456   3.026  -6.593
   55    HB3  GLU   7           HB3      GLU   7  23.065   2.775  -7.287
   56    HG2  GLU   7           HG2      GLU   7  20.727   4.139  -8.696
   57    HG3  GLU   7           HG3      GLU   7  22.062   4.982  -7.888
   58    H    CYS   8           H        CYS   8  20.158   0.833  -6.099
   59    HA   CYS   8           HA       CYS   8  22.170  -1.056  -5.128
   60    HB2  CYS   8           HB2      CYS   8  19.345  -0.498  -4.119
   61    HB3  CYS   8           HB3      CYS   8  20.579  -1.476  -3.307
   62    H    ALA   9           H        ALA   9  19.504  -1.159  -7.301
   63    HA   ALA   9           HA       ALA   9  18.360  -2.821  -8.325
   64    HB1  ALA   9           HB1      ALA   9  19.666  -4.782  -9.009
   65    HB2  ALA   9           HB2      ALA   9  20.621  -3.292  -9.172
   66    HB3  ALA   9           HB3      ALA   9  20.913  -4.390  -7.802
   67    H    SER  10           H        SER  10  17.808  -2.478  -5.570
   68    HA   SER  10           HA       SER  10  16.982  -5.226  -4.799
   69    HB2  SER  10           HB2      SER  10  19.102  -4.591  -3.636
   70    HB3  SER  10           HB3      SER  10  18.266  -3.195  -2.937
   71    HG   SER  10           HG       SER  10  18.234  -5.034  -1.554
   72    H    ARG  11           H        ARG  11  15.164  -5.243  -3.302
   73    HA   ARG  11           HA       ARG  11  13.293  -3.090  -3.999
   74    HB2  ARG  11           HB2      ARG  11  12.912  -5.713  -2.509
   75    HB3  ARG  11           HB3      ARG  11  11.622  -4.589  -2.983
   76    HG2  ARG  11           HG2      ARG  11  12.369  -4.838  -5.379
   77    HG3  ARG  11           HG3      ARG  11  13.495  -6.107  -4.839
   78    HD2  ARG  11           HD2      ARG  11  11.589  -7.374  -3.894
   79    HD3  ARG  11           HD3      ARG  11  10.474  -6.116  -4.444
   80    HE   ARG  11           HE       ARG  11  11.784  -8.179  -6.068
   81   HH11  ARG  11          HH11      ARG  11  10.137  -5.048  -6.102
   82   HH12  ARG  11          HH12      ARG  11   9.634  -5.196  -7.771
   83   HH21  ARG  11          HH21      ARG  11  11.123  -8.343  -8.247
   84   HH22  ARG  11          HH22      ARG  11  10.199  -7.055  -8.982
   85    H    TYR  12           H        TYR  12  12.032  -1.940  -2.518
   86    HA   TYR  12           HA       TYR  12  12.636  -2.074   0.332
   87    HB2  TYR  12           HB2      TYR  12  14.390  -0.609  -0.254
   88    HB3  TYR  12           HB3      TYR  12  13.365   0.300  -1.367
   89    HD1  TYR  12           HD2      TYR  12  14.135  -0.318   2.193
   90    HD2  TYR  12           HD1      TYR  12  11.881   2.039  -0.604
   91    HE1  TYR  12           HE2      TYR  12  13.624   1.314   3.993
   92    HE2  TYR  12           HE1      TYR  12  11.376   3.688   1.185
   93    HH   TYR  12           HH       TYR  12  11.650   4.244   3.391
   94    H    PHE  13           H        PHE  13  10.934  -1.464   1.619
   95    HA   PHE  13           HA       PHE  13   8.498  -0.970   0.030
   96    HB2  PHE  13           HB2      PHE  13   7.334  -2.032   2.050
   97    HB3  PHE  13           HB3      PHE  13   8.226  -3.036   0.911
   98    HD1  PHE  13           HD1      PHE  13   8.316  -1.544   4.303
   99    HD2  PHE  13           HD2      PHE  13  10.202  -4.254   1.543
  100    HE1  PHE  13           HE1      PHE  13   9.673  -2.484   6.153
  101    HE2  PHE  13           HE2      PHE  13  11.577  -5.175   3.390
  102    HZ   PHE  13           HZ       PHE  13  11.305  -4.296   5.698
  103    H    VAL  14           H        VAL  14   6.788   0.276   0.599
  104    HA   VAL  14           HA       VAL  14   7.055   2.085   2.901
  105    HB   VAL  14           HB       VAL  14   6.670   4.078   1.549
  106   HG11  VAL  14          HG11      VAL  14   9.028   2.521   0.400
  107   HG12  VAL  14          HG12      VAL  14   8.834   4.282   0.434
  108   HG13  VAL  14          HG13      VAL  14   9.031   3.388   1.955
  109   HG21  VAL  14          HG21      VAL  14   5.412   3.064  -0.302
  110   HG22  VAL  14          HG22      VAL  14   6.793   4.001  -0.916
  111   HG23  VAL  14          HG23      VAL  14   6.884   2.228  -0.859
  112    H    ASP  15           H        ASP  15   5.005   3.306   3.272
  113    HA   ASP  15           HA       ASP  15   2.745   1.581   2.973
  114    HB2  ASP  15           HB2      ASP  15   2.956   4.483   3.839
  115    HB3  ASP  15           HB3      ASP  15   1.477   3.520   3.922
  116    H    ASP  16           H        ASP  16   0.755   1.928   1.842
  117    HA   ASP  16           HA       ASP  16   1.188   2.687  -0.880
  118    HB2  ASP  16           HB2      ASP  16  -1.340   2.057   0.673
  119    HB3  ASP  16           HB3      ASP  16  -1.285   2.285  -1.083
  120    H    SER  17           H        SER  17   0.474   4.618   1.853
  121    HA   SER  17           HA       SER  17  -1.045   6.639   0.403
  122    HB2  SER  17           HB2      SER  17   0.283   6.630   3.145
  123    HB3  SER  17           HB3      SER  17  -0.791   7.907   2.537
  124    HG   SER  17           HG       SER  17  -2.452   6.423   2.419
  125    H    LYS  18           H        LYS  18   2.248   5.772   0.533
  126    HA   LYS  18           HA       LYS  18   3.335   8.484   0.456
  127    HB2  LYS  18           HB2      LYS  18   4.616   5.791  -0.129
  128    HB3  LYS  18           HB3      LYS  18   5.476   7.326   0.090
  129    HG2  LYS  18           HG2      LYS  18   3.772   5.928   2.206
  130    HG3  LYS  18           HG3      LYS  18   5.542   5.980   2.151
  131    HD2  LYS  18           HD2      LYS  18   5.456   8.467   2.330
  132    HD3  LYS  18           HD3      LYS  18   3.686   8.379   2.483
  133    HE2  LYS  18           HE2      LYS  18   3.926   6.951   4.488
  134    HE3  LYS  18           HE3      LYS  18   5.689   7.037   4.343
  135    HZ1  LYS  18           HZ1      LYS  18   3.900   9.339   4.765
  136    HZ2  LYS  18           HZ2      LYS  18   4.833   8.627   5.917
  137    HZ3  LYS  18           HZ3      LYS  18   5.541   9.410   4.657
  138    H    VAL  19           H        VAL  19   1.756   6.537  -1.833
  139    HA   VAL  19           HA       VAL  19   2.818   8.219  -4.017
  140    HB   VAL  19           HB       VAL  19   2.609   5.203  -4.252
  141   HG11  VAL  19          HG11      VAL  19   3.824   5.623  -6.397
  142   HG12  VAL  19          HG12      VAL  19   2.214   6.366  -6.370
  143   HG13  VAL  19          HG13      VAL  19   3.674   7.367  -6.116
  144   HG21  VAL  19          HG21      VAL  19   4.520   5.754  -2.818
  145   HG22  VAL  19          HG22      VAL  19   5.110   5.280  -4.419
  146   HG23  VAL  19          HG23      VAL  19   5.067   6.997  -3.972
  147    H    GLY  20           H        GLY  20   1.358   8.569  -5.721
  148    HA2  GLY  20           HA2      GLY  20  -1.391   7.453  -5.334
  149    HA3  GLY  20           HA3      GLY  20  -1.109   9.166  -5.676
  150    HA   PRO  21           HA       PRO  21  -1.579   6.774  -9.662
  151    HB2  PRO  21           HB2      PRO  21  -3.753   8.135 -10.649
  152    HB3  PRO  21           HB3      PRO  21  -3.895   6.726  -9.554
  153    HG2  PRO  21           HG2      PRO  21  -4.062   9.668  -8.859
  154    HG3  PRO  21           HG3      PRO  21  -5.089   8.318  -8.276
  155    HD2  PRO  21           HD2      PRO  21  -2.972   9.360  -6.843
  156    HD3  PRO  21           HD3      PRO  21  -3.475   7.649  -6.714
  157    H    ASP  22           H        ASP  22  -1.390  10.133  -8.665
  158    HA   ASP  22           HA       ASP  22  -0.601  11.121 -11.313
  159    HB2  ASP  22           HB2      ASP  22  -1.859  12.435  -9.506
  160    HB3  ASP  22           HB3      ASP  22  -0.358  12.430  -8.566
  161    H    GLY  23           H        GLY  23   0.832   9.221  -8.918
  162    HA2  GLY  23           HA2      GLY  23   3.000   8.481  -8.727
  163    HA3  GLY  23           HA3      GLY  23   3.517   9.662  -9.943
  164    H    ARG  24           H        ARG  24   5.031   9.139  -7.665
  165    HA   ARG  24           HA       ARG  24   5.207  11.818  -6.523
  166    HB2  ARG  24           HB2      ARG  24   3.532  10.689  -5.037
  167    HB3  ARG  24           HB3      ARG  24   4.719   9.400  -4.738
  168    HG2  ARG  24           HG2      ARG  24   4.698  10.999  -2.884
  169    HG3  ARG  24           HG3      ARG  24   6.262  11.042  -3.718
  170    HD2  ARG  24           HD2      ARG  24   5.563  13.066  -4.955
  171    HD3  ARG  24           HD3      ARG  24   3.968  12.987  -4.183
  172    HE   ARG  24           HE       ARG  24   6.463  13.292  -2.561
  173   HH11  ARG  24          HH11      ARG  24   3.270  14.462  -3.543
  174   HH12  ARG  24          HH12      ARG  24   3.224  15.710  -2.321
  175   HH21  ARG  24          HH21      ARG  24   6.376  14.931  -0.980
  176   HH22  ARG  24          HH22      ARG  24   4.976  15.972  -0.874
  177    H    VAL  25           H        VAL  25   7.309  12.241  -5.765
  178    HA   VAL  25           HA       VAL  25   9.326  10.388  -6.713
  179    HB   VAL  25           HB       VAL  25   9.460  12.886  -6.903
  180   HG11  VAL  25          HG11      VAL  25  10.220  14.165  -4.959
  181   HG12  VAL  25          HG12      VAL  25   8.644  13.414  -4.618
  182   HG13  VAL  25          HG13      VAL  25  10.135  12.707  -3.940
  183   HG21  VAL  25          HG21      VAL  25  11.453  11.412  -7.132
  184   HG22  VAL  25          HG22      VAL  25  11.856  12.998  -6.435
  185   HG23  VAL  25          HG23      VAL  25  11.748  11.575  -5.379
  186    H    VAL  26           H        VAL  26  10.950   9.337  -5.526
  187    HA   VAL  26           HA       VAL  26  10.491   9.113  -2.607
  188    HB   VAL  26           HB       VAL  26  10.579   6.751  -2.629
  189   HG11  VAL  26          HG11      VAL  26   8.839   7.553  -5.002
  190   HG12  VAL  26          HG12      VAL  26   8.662   6.102  -3.994
  191   HG13  VAL  26          HG13      VAL  26   8.381   7.709  -3.289
  192   HG21  VAL  26          HG21      VAL  26  11.193   6.912  -5.608
  193   HG22  VAL  26          HG22      VAL  26  12.341   6.452  -4.334
  194   HG23  VAL  26          HG23      VAL  26  10.940   5.421  -4.685
  195    H    ARG  27           H        ARG  27  12.377   7.826  -1.565
  196    HA   ARG  27           HA       ARG  27  14.943   8.484  -2.903
  197    HB2  ARG  27           HB2      ARG  27  14.385  10.383  -1.451
  198    HB3  ARG  27           HB3      ARG  27  14.142   9.283  -0.078
  199    HG2  ARG  27           HG2      ARG  27  16.513   8.593  -0.181
  200    HG3  ARG  27           HG3      ARG  27  16.759   9.627  -1.603
  201    HD2  ARG  27           HD2      ARG  27  17.569  10.780   0.367
  202    HD3  ARG  27           HD3      ARG  27  16.124  11.610  -0.226
  203    HE   ARG  27           HE       ARG  27  16.264   9.806   2.163
  204   HH11  ARG  27          HH11      ARG  27  14.638  12.370   0.339
  205   HH12  ARG  27          HH12      ARG  27  13.503  12.722   1.623
  206   HH21  ARG  27          HH21      ARG  27  14.774  10.281   3.810
  207   HH22  ARG  27          HH22      ARG  27  13.579  11.536   3.586
  208    H    CYS  28           H        CYS  28  16.587   7.081  -2.504
  209    HA   CYS  28           HA       CYS  28  15.865   4.488  -1.449
  210    HB2  CYS  28           HB2      CYS  28  17.324   4.905  -3.445
  211    HB3  CYS  28           HB3      CYS  28  18.564   5.581  -2.374
  212    H    ALA  29           H        ALA  29  16.388   3.571   0.477
  213    HA   ALA  29           HA       ALA  29  17.528   5.263   2.568
  214    HB1  ALA  29           HB1      ALA  29  16.664   2.345   2.553
  215    HB2  ALA  29           HB2      ALA  29  17.062   3.302   3.996
  216    HB3  ALA  29           HB3      ALA  29  15.643   3.732   3.012
  217    H    SER  30           H        SER  30  18.858   3.316   0.102
  218    HA   SER  30           HA       SER  30  21.106   2.432   1.839
  219    HB2  SER  30           HB2      SER  30  19.929   1.291  -0.705
  220    HB3  SER  30           HB3      SER  30  21.475   0.751  -0.008
  221    HG   SER  30           HG       SER  30  18.925   0.712   1.240
  222    H    CYS  31           H        CYS  31  20.332   4.517  -0.880
  223    HA   CYS  31           HA       CYS  31  23.193   5.217  -0.939
  224    HB2  CYS  31           HB2      CYS  31  23.478   4.980  -3.295
  225    HB3  CYS  31           HB3      CYS  31  22.870   3.436  -2.658
  226    H    GLY  32           H        GLY  32  19.972   6.212  -0.920
  227    HA2  GLY  32           HA2      GLY  32  19.229   8.367  -0.627
  228    HA3  GLY  32           HA3      GLY  32  20.856   8.975  -1.002
  229    H    ASN  33           H        ASN  33  19.981   6.858  -3.462
  230    HA   ASN  33           HA       ASN  33  19.705   8.870  -5.446
  231    HB2  ASN  33           HB2      ASN  33  20.443   6.482  -5.763
  232    HB3  ASN  33           HB3      ASN  33  18.762   5.977  -5.523
  233   HD21  ASN  33          HD22      ASN  33  18.613   5.091  -7.632
  234   HD22  ASN  33          HD21      ASN  33  18.505   6.113  -9.050
  235    H    ARG  34           H        ARG  34  17.824   9.445  -6.731
  236    HA   ARG  34           HA       ARG  34  15.219   8.998  -5.360
  237    HB2  ARG  34           HB2      ARG  34  16.210  11.668  -6.418
  238    HB3  ARG  34           HB3      ARG  34  14.654  11.349  -5.632
  239    HG2  ARG  34           HG2      ARG  34  15.848  10.720  -3.544
  240    HG3  ARG  34           HG3      ARG  34  17.404  11.065  -4.337
  241    HD2  ARG  34           HD2      ARG  34  16.642  13.406  -4.754
  242    HD3  ARG  34           HD3      ARG  34  15.148  13.060  -3.861
  243    HE   ARG  34           HE       ARG  34  17.776  12.648  -2.524
  244   HH11  ARG  34          HH11      ARG  34  14.782  14.500  -2.820
  245   HH12  ARG  34          HH12      ARG  34  15.001  15.324  -1.293
  246   HH21  ARG  34          HH21      ARG  34  18.042  13.733  -0.544
  247   HH22  ARG  34          HH22      ARG  34  16.849  14.889  -0.001
  248    H    TRP  35           H        TRP  35  13.433   8.898  -6.671
  249    HA   TRP  35           HA       TRP  35  13.533   9.628  -9.481
  250    HB2  TRP  35           HB2      TRP  35  13.145   7.397 -10.361
  251    HB3  TRP  35           HB3      TRP  35  14.696   7.436  -9.521
  252    HD1  TRP  35           HD1      TRP  35  11.270   5.848  -9.409
  253    HE1  TRP  35           HE1      TRP  35  11.190   3.981  -7.678
  254    HE3  TRP  35           HE3      TRP  35  15.795   6.646  -7.171
  255    HZ2  TRP  35           HZ2      TRP  35  12.854   2.985  -5.527
  256    HZ3  TRP  35           HZ3      TRP  35  16.509   5.230  -5.277
  257    HH2  TRP  35           HH2      TRP  35  15.059   3.395  -4.453
  258    H    THR  36           H        THR  36  11.373   9.294 -10.496
  259    HA   THR  36           HA       THR  36   9.275   9.634  -8.525
  260    HB   THR  36           HB       THR  36   8.757   9.424 -11.474
  261    HG1  THR  36           HG1      THR  36  10.436  10.833 -11.371
  262   HG21  THR  36          HG21      THR  36   6.841   9.652  -9.928
  263   HG22  THR  36          HG22      THR  36   7.598  11.089  -9.194
  264   HG23  THR  36          HG23      THR  36   7.053  11.128 -10.889
  265    H    ALA  37           H        ALA  37   7.703   8.274  -7.887
  266    HA   ALA  37           HA       ALA  37   7.718   5.526  -9.048
  267    HB1  ALA  37           HB1      ALA  37   7.012   6.464  -6.243
  268    HB2  ALA  37           HB2      ALA  37   6.986   4.788  -6.826
  269    HB3  ALA  37           HB3      ALA  37   8.532   5.668  -6.720
  270    H    PHE  38           H        PHE  38   5.636   4.417  -9.061
  271    HA   PHE  38           HA       PHE  38   3.292   6.202  -8.970
  272    HB2  PHE  38           HB2      PHE  38   4.199   4.554 -11.311
  273    HB3  PHE  38           HB3      PHE  38   2.511   4.969 -11.075
  274    HD1  PHE  38           HD1      PHE  38   5.901   6.428 -11.613
  275    HD2  PHE  38           HD2      PHE  38   1.661   7.142 -11.557
  276    HE1  PHE  38           HE1      PHE  38   6.254   8.631 -12.692
  277    HE2  PHE  38           HE2      PHE  38   2.015   9.343 -12.637
  278    HZ   PHE  38           HZ       PHE  38   4.316  10.094 -13.197
  279    H    LYS  39           H        LYS  39   1.214   5.088  -9.043
  280    HA   LYS  39           HA       LYS  39   1.368   2.724  -7.260
  281    HB2  LYS  39           HB2      LYS  39   0.108   4.592  -6.426
  282    HB3  LYS  39           HB3      LYS  39  -0.867   4.679  -7.906
  283    HG2  LYS  39           HG2      LYS  39  -1.967   2.615  -7.448
  284    HG3  LYS  39           HG3      LYS  39  -0.796   2.173  -6.187
  285    HD2  LYS  39           HD2      LYS  39  -2.666   4.569  -5.986
  286    HD3  LYS  39           HD3      LYS  39  -3.007   2.971  -5.291
  287    HE2  LYS  39           HE2      LYS  39  -0.905   3.087  -3.979
  288    HE3  LYS  39           HE3      LYS  39  -0.579   4.691  -4.642
  289    HZ1  LYS  39           HZ1      LYS  39  -1.604   4.831  -2.496
  290    HZ2  LYS  39           HZ2      LYS  39  -2.616   5.456  -3.625
  291    HZ3  LYS  39           HZ3      LYS  39  -2.908   3.959  -2.999
  292    H    ASP  40           H        ASP  40   0.162   0.842  -7.609
  293    HA   ASP  40           HA       ASP  40  -1.140   0.468 -10.230
  294    HB2  ASP  40           HB2      ASP  40   1.318   0.017 -10.537
  295    HB3  ASP  40           HB3      ASP  40   1.212  -1.234  -9.294
  296    H    GLU  41           H        GLU  41  -0.798  -0.088  -6.888
  297    HA   GLU  41           HA       GLU  41  -1.949  -2.694  -6.643
  298    HB2  GLU  41           HB2      GLU  41  -1.704  -0.308  -4.755
  299    HB3  GLU  41           HB3      GLU  41  -2.399  -1.857  -4.276
  300    HG2  GLU  41           HG2      GLU  41  -0.161  -2.048  -3.609
  301    HG3  GLU  41           HG3      GLU  41  -0.214  -2.936  -5.139
  302    H    ALA  42           H        ALA  42  -3.337   0.363  -7.473
  303    HA   ALA  42           HA       ALA  42  -6.018  -0.795  -7.341
  304    HB1  ALA  42           HB1      ALA  42  -5.640   0.129  -5.054
  305    HB2  ALA  42           HB2      ALA  42  -5.298   1.718  -5.771
  306    HB3  ALA  42           HB3      ALA  42  -6.924   0.996  -5.919
  307    H    GLU  43           H        GLU  43  -3.990   0.292  -9.299
  308    HA   GLU  43           HA       GLU  43  -5.128   2.761 -10.324
  309    HB2  GLU  43           HB2      GLU  43  -2.739   2.247 -10.572
  310    HB3  GLU  43           HB3      GLU  43  -3.125   0.745 -11.420
  311    HG2  GLU  43           HG2      GLU  43  -2.423   2.428 -13.019
  312    HG3  GLU  43           HG3      GLU  43  -4.118   2.029 -13.288
  313    H    LEU  44           H        LEU  44  -5.882  -0.603 -10.606
  314    HA   LEU  44           HA       LEU  44  -6.979  -0.580 -13.262
  315    HB2  LEU  44           HB2      LEU  44  -7.600  -2.395 -10.904
  316    HB3  LEU  44           HB3      LEU  44  -7.966  -2.735 -12.603
  317    HG   LEU  44           HG       LEU  44  -5.161  -2.364 -11.444
  318   HD11  LEU  44          HD11      LEU  44  -6.279  -4.449 -10.700
  319   HD12  LEU  44          HD12      LEU  44  -6.635  -4.859 -12.396
  320   HD13  LEU  44          HD13      LEU  44  -4.951  -4.789 -11.827
  321   HD21  LEU  44          HD21      LEU  44  -5.280  -1.682 -13.810
  322   HD22  LEU  44          HD22      LEU  44  -4.438  -3.233 -13.657
  323   HD23  LEU  44          HD23      LEU  44  -6.131  -3.192 -14.218
  324    H    GLU  45           H        GLU  45  -9.188  -0.654 -13.902
  325    HA   GLU  45           HA       GLU  45 -10.877   1.214 -12.454
  326    HB2  GLU  45           HB2      GLU  45 -12.414   0.871 -14.323
  327    HB3  GLU  45           HB3      GLU  45 -10.763   1.148 -14.915
  328    HG2  GLU  45           HG2      GLU  45 -10.473  -1.318 -15.179
  329    HG3  GLU  45           HG3      GLU  45 -12.139  -1.564 -14.635
  330    H    LEU  46           H        LEU  46 -13.122   0.729 -11.870
  331    HA   LEU  46           HA       LEU  46 -14.619  -0.357 -10.560
  332    HB2  LEU  46           HB2      LEU  46 -13.841  -2.494 -12.556
  333    HB3  LEU  46           HB3      LEU  46 -15.023  -2.823 -11.280
  334    HG   LEU  46           HG       LEU  46 -16.362  -0.853 -12.037
  335   HD11  LEU  46          HD11      LEU  46 -14.380  -0.894 -14.355
  336   HD12  LEU  46          HD12      LEU  46 -15.943  -0.039 -14.375
  337   HD13  LEU  46          HD13      LEU  46 -14.680   0.462 -13.236
  338   HD21  LEU  46          HD21      LEU  46 -16.879  -3.164 -12.733
  339   HD22  LEU  46          HD22      LEU  46 -17.262  -2.001 -14.024
  340   HD23  LEU  46          HD23      LEU  46 -15.785  -2.993 -14.126
  341    H    VAL  47           H        VAL  47 -11.720  -0.356  -9.671
  342    HA   VAL  47           HA       VAL  47 -11.188  -2.790  -8.316
  343    HB   VAL  47           HB       VAL  47  -9.557  -0.970  -8.840
  344   HG11  VAL  47          HG11      VAL  47 -10.752   0.403  -6.393
  345   HG12  VAL  47          HG12      VAL  47  -9.354   0.947  -7.339
  346   HG13  VAL  47          HG13      VAL  47 -10.972   0.947  -8.073
  347   HG21  VAL  47          HG21      VAL  47  -8.969  -2.745  -7.262
  348   HG22  VAL  47          HG22      VAL  47  -8.263  -1.195  -6.748
  349   HG23  VAL  47          HG23      VAL  47  -9.695  -1.824  -5.919
  350    HA   PRO  48           HA       PRO  48 -14.259  -2.591  -5.168
  351    HB2  PRO  48           HB2      PRO  48 -13.293  -4.464  -3.405
  352    HB3  PRO  48           HB3      PRO  48 -14.017  -4.878  -4.993
  353    HG2  PRO  48           HG2      PRO  48 -11.090  -4.626  -4.268
  354    HG3  PRO  48           HG3      PRO  48 -11.895  -5.908  -5.236
  355    HD2  PRO  48           HD2      PRO  48 -10.570  -3.810  -6.386
  356    HD3  PRO  48           HD3      PRO  48 -12.028  -4.535  -7.130
  357    H    ARG  49           H        ARG  49 -10.996  -1.593  -4.662
  358    HA   ARG  49           HA       ARG  49 -11.821   0.020  -2.366
  359    HB2  ARG  49           HB2      ARG  49 -11.127  -2.051  -1.257
  360    HB3  ARG  49           HB3      ARG  49  -9.618  -2.072  -2.170
  361    HG2  ARG  49           HG2      ARG  49  -9.251  -1.225   0.117
  362    HG3  ARG  49           HG3      ARG  49  -8.884   0.017  -1.089
  363    HD2  ARG  49           HD2      ARG  49 -10.154   0.961   0.794
  364    HD3  ARG  49           HD3      ARG  49 -11.064   1.077  -0.715
  365    HE   ARG  49           HE       ARG  49 -11.538  -1.140   1.245
  366   HH11  ARG  49          HH11      ARG  49 -12.747   1.580  -0.657
  367   HH12  ARG  49          HH12      ARG  49 -14.426   1.235  -0.301
  368   HH21  ARG  49          HH21      ARG  49 -13.733  -1.573   1.681
  369   HH22  ARG  49          HH22      ARG  49 -14.980  -0.536   1.025
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   2.388  -0.989  -0.605
    2    H2   MET   1           H2       MET   1   3.769  -0.284  -0.053
    3    H3   MET   1           H3       MET   1   3.605  -1.922   0.008
    4    HA   MET   1           HA       MET   1   3.622  -2.109  -2.338
    5    HB2  MET   1           HB2      MET   1   3.980  -0.135  -3.752
    6    HB3  MET   1           HB3      MET   1   2.468  -0.004  -2.836
    7    HG2  MET   1           HG2      MET   1   3.703   1.356  -1.116
    8    HG3  MET   1           HG3      MET   1   5.103   1.375  -2.198
    9    HE1  MET   1           HE1      MET   1   5.240   2.654  -4.453
   10    HE2  MET   1           HE2      MET   1   3.865   1.704  -5.080
   11    HE3  MET   1           HE3      MET   1   3.871   3.477  -5.231
   12    H    ILE   2           H        ILE   2   5.673  -1.878  -3.713
   13    HA   ILE   2           HA       ILE   2   8.037  -1.245  -2.043
   14    HB   ILE   2           HB       ILE   2   7.198  -3.747  -1.987
   15   HG12  ILE   2          HG12      ILE   2  10.114  -3.227  -2.619
   16   HG13  ILE   2          HG13      ILE   2   9.340  -2.699  -1.106
   17   HG21  ILE   2          HG21      ILE   2   8.851  -3.764  -4.545
   18   HG22  ILE   2          HG22      ILE   2   8.124  -5.162  -3.730
   19   HG23  ILE   2          HG23      ILE   2   7.073  -3.954  -4.490
   20   HD11  ILE   2          HD11      ILE   2   9.465  -5.579  -2.088
   21   HD12  ILE   2          HD12      ILE   2  10.436  -4.871  -0.776
   22   HD13  ILE   2          HD13      ILE   2   8.679  -5.009  -0.592
   23    H    LEU   3           H        LEU   3   9.919  -0.754  -3.230
   24    HA   LEU   3           HA       LEU   3   9.592  -0.509  -6.182
   25    HB2  LEU   3           HB2      LEU   3  10.593   1.612  -4.247
   26    HB3  LEU   3           HB3      LEU   3  10.666   1.739  -6.013
   27    HG   LEU   3           HG       LEU   3   8.052   1.356  -4.483
   28   HD11  LEU   3          HD11      LEU   3   9.340   3.907  -5.519
   29   HD12  LEU   3          HD12      LEU   3   7.703   3.762  -4.829
   30   HD13  LEU   3          HD13      LEU   3   9.130   3.463  -3.810
   31   HD21  LEU   3          HD21      LEU   3   8.007   0.716  -6.883
   32   HD22  LEU   3          HD22      LEU   3   7.081   2.209  -6.597
   33   HD23  LEU   3          HD23      LEU   3   8.706   2.298  -7.311
   34    H    THR   4           H        THR   4  11.529  -0.650  -7.375
   35    HA   THR   4           HA       THR   4  13.798  -1.734  -5.823
   36    HB   THR   4           HB       THR   4  13.568  -1.913  -8.814
   37    HG1  THR   4           HG1      THR   4  12.492  -3.856  -8.478
   38   HG21  THR   4          HG21      THR   4  15.718  -2.527  -7.737
   39   HG22  THR   4          HG22      THR   4  14.860  -3.667  -6.675
   40   HG23  THR   4          HG23      THR   4  14.909  -3.949  -8.428
   41    H    CYS   5           H        CYS   5  15.799  -0.860  -5.765
   42    HA   CYS   5           HA       CYS   5  16.034   1.904  -6.614
   43    HB2  CYS   5           HB2      CYS   5  16.976   1.119  -4.497
   44    HB3  CYS   5           HB3      CYS   5  18.033  -0.012  -5.377
   45    HA   PRO   6           HA       PRO   6  17.846   0.988 -10.607
   46    HB2  PRO   6           HB2      PRO   6  18.970   3.747 -10.375
   47    HB3  PRO   6           HB3      PRO   6  17.930   3.049 -11.660
   48    HG2  PRO   6           HG2      PRO   6  16.964   4.835  -9.814
   49    HG3  PRO   6           HG3      PRO   6  15.975   3.466 -10.438
   50    HD2  PRO   6           HD2      PRO   6  17.462   3.675  -7.822
   51    HD3  PRO   6           HD3      PRO   6  15.835   2.999  -8.179
   52    H    GLU   7           H        GLU   7  19.542   1.964  -7.705
   53    HA   GLU   7           HA       GLU   7  22.173   1.408  -9.007
   54    HB2  GLU   7           HB2      GLU   7  21.517   3.028  -6.520
   55    HB3  GLU   7           HB3      GLU   7  23.133   2.796  -7.204
   56    HG2  GLU   7           HG2      GLU   7  20.787   4.106  -8.649
   57    HG3  GLU   7           HG3      GLU   7  22.078   4.986  -7.824
   58    H    CYS   8           H        CYS   8  20.221   0.800  -6.022
   59    HA   CYS   8           HA       CYS   8  22.248  -1.047  -5.019
   60    HB2  CYS   8           HB2      CYS   8  19.395  -0.522  -4.075
   61    HB3  CYS   8           HB3      CYS   8  20.615  -1.489  -3.225
   62    H    ALA   9           H        ALA   9  19.613  -1.192  -7.233
   63    HA   ALA   9           HA       ALA   9  18.509  -2.871  -8.278
   64    HB1  ALA   9           HB1      ALA   9  21.045  -4.447  -7.682
   65    HB2  ALA   9           HB2      ALA   9  19.842  -4.816  -8.938
   66    HB3  ALA   9           HB3      ALA   9  20.812  -3.335  -9.056
   67    H    SER  10           H        SER  10  17.913  -2.512  -5.534
   68    HA   SER  10           HA       SER  10  17.057  -5.249  -4.787
   69    HB2  SER  10           HB2      SER  10  19.162  -4.652  -3.592
   70    HB3  SER  10           HB3      SER  10  18.334  -3.247  -2.898
   71    HG   SER  10           HG       SER  10  18.242  -5.057  -1.511
   72    H    ARG  11           H        ARG  11  15.238  -5.231  -3.268
   73    HA   ARG  11           HA       ARG  11  13.385  -3.079  -3.999
   74    HB2  ARG  11           HB2      ARG  11  13.022  -5.696  -2.498
   75    HB3  ARG  11           HB3      ARG  11  11.714  -4.567  -2.891
   76    HG2  ARG  11           HG2      ARG  11  12.319  -4.767  -5.317
   77    HG3  ARG  11           HG3      ARG  11  13.507  -6.013  -4.881
   78    HD2  ARG  11           HD2      ARG  11  10.521  -6.140  -4.290
   79    HD3  ARG  11           HD3      ARG  11  11.320  -6.968  -5.632
   80    HE   ARG  11           HE       ARG  11  11.396  -7.701  -2.788
   81   HH11  ARG  11          HH11      ARG  11  12.858  -8.124  -5.981
   82   HH12  ARG  11          HH12      ARG  11  13.596  -9.653  -5.565
   83   HH21  ARG  11          HH21      ARG  11  12.371  -9.695  -2.276
   84   HH22  ARG  11          HH22      ARG  11  13.320 -10.543  -3.474
   85    H    TYR  12           H        TYR  12  12.142  -1.875  -2.562
   86    HA   TYR  12           HA       TYR  12  12.720  -1.995   0.291
   87    HB2  TYR  12           HB2      TYR  12  14.472  -0.531  -0.241
   88    HB3  TYR  12           HB3      TYR  12  13.492   0.358  -1.408
   89    HD1  TYR  12           HD1      TYR  12  14.124  -0.183   2.194
   90    HD2  TYR  12           HD2      TYR  12  11.995   2.117  -0.746
   91    HE1  TYR  12           HE1      TYR  12  13.528   1.484   3.937
   92    HE2  TYR  12           HE2      TYR  12  11.419   3.804   0.982
   93    HH   TYR  12           HH       TYR  12  12.418   3.437   4.404
   94    H    PHE  13           H        PHE  13  11.052  -1.356   1.590
   95    HA   PHE  13           HA       PHE  13   8.595  -0.923   0.019
   96    HB2  PHE  13           HB2      PHE  13   7.475  -1.942   2.081
   97    HB3  PHE  13           HB3      PHE  13   8.382  -2.963   0.965
   98    HD1  PHE  13           HD1      PHE  13   8.439  -1.407   4.320
   99    HD2  PHE  13           HD2      PHE  13  10.423  -4.082   1.599
  100    HE1  PHE  13           HE1      PHE  13   9.850  -2.259   6.178
  101    HE2  PHE  13           HE2      PHE  13  11.832  -4.925   3.453
  102    HZ   PHE  13           HZ       PHE  13  11.546  -4.013   5.745
  103    H    VAL  14           H        VAL  14   6.881   0.322   0.590
  104    HA   VAL  14           HA       VAL  14   7.151   2.192   2.839
  105    HB   VAL  14           HB       VAL  14   6.703   4.133   1.443
  106   HG11  VAL  14          HG11      VAL  14   9.085   2.610   0.320
  107   HG12  VAL  14          HG12      VAL  14   8.846   4.365   0.315
  108   HG13  VAL  14          HG13      VAL  14   9.070   3.514   1.859
  109   HG21  VAL  14          HG21      VAL  14   6.948   2.221  -0.920
  110   HG22  VAL  14          HG22      VAL  14   5.463   3.057  -0.385
  111   HG23  VAL  14          HG23      VAL  14   6.826   3.991  -1.033
  112    H    ASP  15           H        ASP  15   5.055   3.363   3.205
  113    HA   ASP  15           HA       ASP  15   2.836   1.576   2.922
  114    HB2  ASP  15           HB2      ASP  15   3.008   4.475   3.799
  115    HB3  ASP  15           HB3      ASP  15   1.526   3.507   3.848
  116    H    ASP  16           H        ASP  16   0.817   1.927   1.822
  117    HA   ASP  16           HA       ASP  16   1.230   2.648  -0.919
  118    HB2  ASP  16           HB2      ASP  16  -1.286   2.008   0.657
  119    HB3  ASP  16           HB3      ASP  16  -1.236   2.232  -1.097
  120    H    SER  17           H        SER  17   0.577   4.610   1.790
  121    HA   SER  17           HA       SER  17  -0.987   6.610   0.330
  122    HB2  SER  17           HB2      SER  17  -0.886   7.836   2.450
  123    HB3  SER  17           HB3      SER  17  -1.362   6.148   2.732
  124    HG   SER  17           HG       SER  17   0.266   6.861   4.174
  125    H    LYS  18           H        LYS  18   2.329   5.778   0.545
  126    HA   LYS  18           HA       LYS  18   3.374   8.499   0.486
  127    HB2  LYS  18           HB2      LYS  18   4.711   5.830  -0.087
  128    HB3  LYS  18           HB3      LYS  18   5.539   7.376   0.160
  129    HG2  LYS  18           HG2      LYS  18   3.833   5.878   2.204
  130    HG3  LYS  18           HG3      LYS  18   5.593   6.037   2.218
  131    HD2  LYS  18           HD2      LYS  18   3.567   8.294   2.554
  132    HD3  LYS  18           HD3      LYS  18   4.584   7.588   3.815
  133    HE2  LYS  18           HE2      LYS  18   6.620   8.310   2.599
  134    HE3  LYS  18           HE3      LYS  18   5.612   9.050   1.346
  135    HZ1  LYS  18           HZ1      LYS  18   5.637   9.806   4.193
  136    HZ2  LYS  18           HZ2      LYS  18   6.332  10.654   2.964
  137    HZ3  LYS  18           HZ3      LYS  18   4.699  10.496   3.025
  138    H    VAL  19           H        VAL  19   1.835   6.540  -1.813
  139    HA   VAL  19           HA       VAL  19   2.904   8.224  -3.990
  140    HB   VAL  19           HB       VAL  19   2.692   5.211  -4.241
  141   HG11  VAL  19          HG11      VAL  19   3.788   7.377  -6.088
  142   HG12  VAL  19          HG12      VAL  19   3.887   5.623  -6.376
  143   HG13  VAL  19          HG13      VAL  19   2.308   6.426  -6.341
  144   HG21  VAL  19          HG21      VAL  19   5.193   5.284  -4.391
  145   HG22  VAL  19          HG22      VAL  19   5.145   6.998  -3.933
  146   HG23  VAL  19          HG23      VAL  19   4.596   5.746  -2.789
  147    H    GLY  20           H        GLY  20   1.419   8.621  -5.668
  148    HA2  GLY  20           HA2      GLY  20  -1.332   7.542  -5.210
  149    HA3  GLY  20           HA3      GLY  20  -1.024   9.251  -5.546
  150    HA   PRO  21           HA       PRO  21  -1.747   6.856  -9.510
  151    HB2  PRO  21           HB2      PRO  21  -3.994   8.220 -10.332
  152    HB3  PRO  21           HB3      PRO  21  -4.051   6.795  -9.246
  153    HG2  PRO  21           HG2      PRO  21  -4.193   9.727  -8.524
  154    HG3  PRO  21           HG3      PRO  21  -5.166   8.364  -7.877
  155    HD2  PRO  21           HD2      PRO  21  -2.970   9.418  -6.582
  156    HD3  PRO  21           HD3      PRO  21  -3.441   7.697  -6.438
  157    H    ASP  22           H        ASP  22  -1.496  10.189  -8.487
  158    HA   ASP  22           HA       ASP  22  -0.816  11.152 -11.173
  159    HB2  ASP  22           HB2      ASP  22  -0.457  13.338  -9.964
  160    HB3  ASP  22           HB3      ASP  22  -2.097  12.681  -9.937
  161    H    GLY  23           H        GLY  23   0.784   9.357  -8.947
  162    HA2  GLY  23           HA2      GLY  23   3.007   8.714  -8.970
  163    HA3  GLY  23           HA3      GLY  23   3.391  10.038 -10.077
  164    H    ARG  24           H        ARG  24   4.949   9.261  -7.815
  165    HA   ARG  24           HA       ARG  24   5.146  11.820  -6.424
  166    HB2  ARG  24           HB2      ARG  24   3.414  10.119  -5.272
  167    HB3  ARG  24           HB3      ARG  24   4.903   9.397  -4.646
  168    HG2  ARG  24           HG2      ARG  24   4.125  12.335  -4.341
  169    HG3  ARG  24           HG3      ARG  24   3.823  11.082  -3.125
  170    HD2  ARG  24           HD2      ARG  24   6.293  10.623  -3.062
  171    HD3  ARG  24           HD3      ARG  24   6.530  12.032  -4.122
  172    HE   ARG  24           HE       ARG  24   5.030  13.054  -2.066
  173   HH11  ARG  24          HH11      ARG  24   8.053  11.225  -2.226
  174   HH12  ARG  24          HH12      ARG  24   8.685  11.916  -0.747
  175   HH21  ARG  24          HH21      ARG  24   5.868  13.922  -0.133
  176   HH22  ARG  24          HH22      ARG  24   7.457  13.456   0.425
  177    H    VAL  25           H        VAL  25   7.286  12.179  -5.943
  178    HA   VAL  25           HA       VAL  25   9.236  10.254  -6.837
  179    HB   VAL  25           HB       VAL  25   9.412  12.769  -6.985
  180   HG11  VAL  25          HG11      VAL  25  10.200  12.477  -4.061
  181   HG12  VAL  25          HG12      VAL  25  10.301  13.958  -5.031
  182   HG13  VAL  25          HG13      VAL  25   8.708  13.254  -4.657
  183   HG21  VAL  25          HG21      VAL  25  11.346  11.269  -7.369
  184   HG22  VAL  25          HG22      VAL  25  11.836  12.798  -6.599
  185   HG23  VAL  25          HG23      VAL  25  11.721  11.315  -5.630
  186    H    VAL  26           H        VAL  26  10.886   9.198  -5.653
  187    HA   VAL  26           HA       VAL  26  10.391   8.948  -2.738
  188    HB   VAL  26           HB       VAL  26  10.480   6.602  -2.760
  189   HG11  VAL  26          HG11      VAL  26   8.845   7.371  -5.222
  190   HG12  VAL  26          HG12      VAL  26   8.610   5.946  -4.194
  191   HG13  VAL  26          HG13      VAL  26   8.309   7.574  -3.537
  192   HG21  VAL  26          HG21      VAL  26  11.216   6.770  -5.710
  193   HG22  VAL  26          HG22      VAL  26  12.306   6.300  -4.386
  194   HG23  VAL  26          HG23      VAL  26  10.923   5.269  -4.804
  195    H    ARG  27           H        ARG  27  12.269   7.673  -1.670
  196    HA   ARG  27           HA       ARG  27  14.854   8.372  -2.944
  197    HB2  ARG  27           HB2      ARG  27  14.270  10.281  -1.539
  198    HB3  ARG  27           HB3      ARG  27  13.946   9.204  -0.165
  199    HG2  ARG  27           HG2      ARG  27  16.309   8.498  -0.135
  200    HG3  ARG  27           HG3      ARG  27  16.639   9.499  -1.564
  201    HD2  ARG  27           HD2      ARG  27  15.998  11.522  -0.306
  202    HD3  ARG  27           HD3      ARG  27  15.652  10.542   1.126
  203    HE   ARG  27           HE       ARG  27  18.288  11.292   0.073
  204   HH11  ARG  27          HH11      ARG  27  16.468   9.163   2.240
  205   HH12  ARG  27          HH12      ARG  27  17.853   8.799   3.239
  206   HH21  ARG  27          HH21      ARG  27  20.080  10.808   1.403
  207   HH22  ARG  27          HH22      ARG  27  19.893   9.731   2.767
  208    H    CYS  28           H        CYS  28  16.508   7.016  -2.490
  209    HA   CYS  28           HA       CYS  28  15.820   4.409  -1.432
  210    HB2  CYS  28           HB2      CYS  28  17.298   4.851  -3.413
  211    HB3  CYS  28           HB3      CYS  28  18.510   5.545  -2.321
  212    H    ALA  29           H        ALA  29  16.338   3.527   0.511
  213    HA   ALA  29           HA       ALA  29  17.423   5.262   2.591
  214    HB1  ALA  29           HB1      ALA  29  16.601   2.329   2.607
  215    HB2  ALA  29           HB2      ALA  29  16.952   3.317   4.044
  216    HB3  ALA  29           HB3      ALA  29  15.545   3.702   3.023
  217    H    SER  30           H        SER  30  18.816   3.320   0.167
  218    HA   SER  30           HA       SER  30  21.048   2.480   1.948
  219    HB2  SER  30           HB2      SER  30  19.908   1.275  -0.589
  220    HB3  SER  30           HB3      SER  30  21.448   0.764   0.140
  221    HG   SER  30           HG       SER  30  20.341   0.203   2.006
  222    H    CYS  31           H        CYS  31  20.289   4.521  -0.802
  223    HA   CYS  31           HA       CYS  31  23.133   5.249  -0.834
  224    HB2  CYS  31           HB2      CYS  31  23.457   4.993  -3.189
  225    HB3  CYS  31           HB3      CYS  31  22.848   3.444  -2.559
  226    H    GLY  32           H        GLY  32  19.902   6.198  -0.855
  227    HA2  GLY  32           HA2      GLY  32  19.140   8.361  -0.594
  228    HA3  GLY  32           HA3      GLY  32  20.765   8.974  -0.958
  229    H    ASN  33           H        ASN  33  19.964   6.838  -3.412
  230    HA   ASN  33           HA       ASN  33  19.665   8.822  -5.418
  231    HB2  ASN  33           HB2      ASN  33  20.456   6.443  -5.698
  232    HB3  ASN  33           HB3      ASN  33  18.785   5.908  -5.479
  233   HD21  ASN  33          HD22      ASN  33  18.671   5.003  -7.574
  234   HD22  ASN  33          HD21      ASN  33  18.586   6.006  -9.007
  235    H    ARG  34           H        ARG  34  17.786   9.330  -6.730
  236    HA   ARG  34           HA       ARG  34  15.172   8.850  -5.389
  237    HB2  ARG  34           HB2      ARG  34  16.205  11.545  -6.336
  238    HB3  ARG  34           HB3      ARG  34  14.585  11.215  -5.680
  239    HG2  ARG  34           HG2      ARG  34  15.609  10.494  -3.536
  240    HG3  ARG  34           HG3      ARG  34  17.225  10.846  -4.188
  241    HD2  ARG  34           HD2      ARG  34  14.967  12.859  -3.835
  242    HD3  ARG  34           HD3      ARG  34  16.379  12.699  -2.773
  243    HE   ARG  34           HE       ARG  34  16.268  14.040  -5.335
  244   HH11  ARG  34          HH11      ARG  34  18.403  12.238  -3.169
  245   HH12  ARG  34          HH12      ARG  34  19.854  12.998  -3.780
  246   HH21  ARG  34          HH21      ARG  34  18.178  14.993  -6.133
  247   HH22  ARG  34          HH22      ARG  34  19.728  14.537  -5.464
  248    H    TRP  35           H        TRP  35  13.402   8.779  -6.729
  249    HA   TRP  35           HA       TRP  35  13.550   9.532  -9.537
  250    HB2  TRP  35           HB2      TRP  35  13.196   7.309 -10.437
  251    HB3  TRP  35           HB3      TRP  35  14.727   7.352  -9.568
  252    HD1  TRP  35           HD1      TRP  35  11.309   5.738  -9.557
  253    HE1  TRP  35           HE1      TRP  35  11.177   3.876  -7.833
  254    HE3  TRP  35           HE3      TRP  35  15.761   6.556  -7.172
  255    HZ2  TRP  35           HZ2      TRP  35  12.797   2.862  -5.655
  256    HZ3  TRP  35           HZ3      TRP  35  16.425   5.130  -5.262
  257    HH2  TRP  35           HH2      TRP  35  14.960   3.285  -4.494
  258    H    THR  36           H        THR  36  11.423   9.253 -10.585
  259    HA   THR  36           HA       THR  36   9.300   9.618  -8.676
  260    HB   THR  36           HB       THR  36   8.778   9.332 -11.612
  261    HG1  THR  36           HG1      THR  36   9.464  11.474 -11.840
  262   HG21  THR  36          HG21      THR  36   7.749  11.158  -9.403
  263   HG22  THR  36          HG22      THR  36   7.187  11.148 -11.097
  264   HG23  THR  36          HG23      THR  36   6.912   9.734 -10.063
  265    H    ALA  37           H        ALA  37   7.640   8.338  -8.066
  266    HA   ALA  37           HA       ALA  37   7.506   5.613  -9.270
  267    HB1  ALA  37           HB1      ALA  37   6.824   4.810  -7.061
  268    HB2  ALA  37           HB2      ALA  37   8.412   5.612  -6.967
  269    HB3  ALA  37           HB3      ALA  37   6.950   6.460  -6.400
  270    H    PHE  38           H        PHE  38   5.282   4.616  -9.017
  271    HA   PHE  38           HA       PHE  38   3.112   6.531  -8.701
  272    HB2  PHE  38           HB2      PHE  38   2.137   5.787 -10.965
  273    HB3  PHE  38           HB3      PHE  38   3.379   7.040 -10.900
  274    HD1  PHE  38           HD2      PHE  38   2.724   3.501 -11.789
  275    HD2  PHE  38           HD1      PHE  38   5.571   6.729 -11.834
  276    HE1  PHE  38           HE2      PHE  38   4.149   2.221 -13.359
  277    HE2  PHE  38           HE1      PHE  38   7.000   5.433 -13.392
  278    HZ   PHE  38           HZ       PHE  38   6.294   3.187 -14.159
  279    H    LYS  39           H        LYS  39   1.021   5.692  -8.452
  280    HA   LYS  39           HA       LYS  39   0.990   3.101  -7.186
  281    HB2  LYS  39           HB2      LYS  39  -0.384   5.074  -6.485
  282    HB3  LYS  39           HB3      LYS  39  -1.293   4.951  -7.998
  283    HG2  LYS  39           HG2      LYS  39  -2.537   3.932  -6.163
  284    HG3  LYS  39           HG3      LYS  39  -2.120   2.736  -7.392
  285    HD2  LYS  39           HD2      LYS  39  -1.782   1.862  -5.106
  286    HD3  LYS  39           HD3      LYS  39  -0.266   1.902  -6.005
  287    HE2  LYS  39           HE2      LYS  39   0.099   2.721  -3.735
  288    HE3  LYS  39           HE3      LYS  39   0.343   4.037  -4.888
  289    HZ1  LYS  39           HZ1      LYS  39  -0.974   4.713  -2.995
  290    HZ2  LYS  39           HZ2      LYS  39  -1.861   4.828  -4.371
  291    HZ3  LYS  39           HZ3      LYS  39  -2.111   3.574  -3.326
  292    H    ASP  40           H        ASP  40  -0.469   1.310  -7.800
  293    HA   ASP  40           HA       ASP  40  -0.558   0.998 -10.772
  294    HB2  ASP  40           HB2      ASP  40   1.165  -0.340  -9.566
  295    HB3  ASP  40           HB3      ASP  40  -0.116  -1.056  -8.574
  296    H    GLU  41           H        GLU  41  -2.329   0.981  -7.758
  297    HA   GLU  41           HA       GLU  41  -4.516  -0.666  -8.607
  298    HB2  GLU  41           HB2      GLU  41  -3.956  -0.220  -6.254
  299    HB3  GLU  41           HB3      GLU  41  -4.265   1.515  -6.494
  300    HG2  GLU  41           HG2      GLU  41  -6.601   1.068  -7.002
  301    HG3  GLU  41           HG3      GLU  41  -6.320  -0.684  -6.899
  302    H    ALA  42           H        ALA  42  -3.521   2.644  -9.164
  303    HA   ALA  42           HA       ALA  42  -5.704   3.104 -11.029
  304    HB1  ALA  42           HB1      ALA  42  -6.509   5.150  -9.878
  305    HB2  ALA  42           HB2      ALA  42  -6.782   3.709  -8.874
  306    HB3  ALA  42           HB3      ALA  42  -5.427   4.795  -8.503
  307    H    GLU  43           H        GLU  43  -5.393   5.224 -12.146
  308    HA   GLU  43           HA       GLU  43  -2.744   6.462 -11.832
  309    HB2  GLU  43           HB2      GLU  43  -2.314   4.492 -13.266
  310    HB3  GLU  43           HB3      GLU  43  -3.575   5.039 -14.391
  311    HG2  GLU  43           HG2      GLU  43  -2.314   7.101 -14.841
  312    HG3  GLU  43           HG3      GLU  43  -1.086   6.635 -13.654
  313    H    LEU  44           H        LEU  44  -2.621   8.535 -12.772
  314    HA   LEU  44           HA       LEU  44  -5.117   9.909 -12.985
  315    HB2  LEU  44           HB2      LEU  44  -3.041  10.934 -12.133
  316    HB3  LEU  44           HB3      LEU  44  -2.281  10.738 -13.718
  317    HG   LEU  44           HG       LEU  44  -3.997  12.262 -14.716
  318   HD11  LEU  44          HD11      LEU  44  -4.842  12.630 -11.805
  319   HD12  LEU  44          HD12      LEU  44  -5.395  13.614 -13.174
  320   HD13  LEU  44          HD13      LEU  44  -5.832  11.894 -13.090
  321   HD21  LEU  44          HD21      LEU  44  -2.501  13.375 -12.303
  322   HD22  LEU  44          HD22      LEU  44  -1.822  13.130 -13.928
  323   HD23  LEU  44          HD23      LEU  44  -3.120  14.320 -13.677
  324    H    GLU  45           H        GLU  45  -6.132  10.880 -14.787
  325    HA   GLU  45           HA       GLU  45  -6.055   9.292 -17.177
  326    HB2  GLU  45           HB2      GLU  45  -7.394  11.963 -16.592
  327    HB3  GLU  45           HB3      GLU  45  -7.717  10.924 -18.000
  328    HG2  GLU  45           HG2      GLU  45  -8.367   9.078 -16.439
  329    HG3  GLU  45           HG3      GLU  45  -8.147  10.179 -15.072
  330    H    LEU  46           H        LEU  46  -5.678  10.077 -19.363
  331    HA   LEU  46           HA       LEU  46  -3.140  11.371 -19.619
  332    HB2  LEU  46           HB2      LEU  46  -3.938   9.651 -21.176
  333    HB3  LEU  46           HB3      LEU  46  -5.286  10.693 -21.659
  334    HG   LEU  46           HG       LEU  46  -3.653  12.373 -22.541
  335   HD11  LEU  46          HD11      LEU  46  -1.620  10.197 -21.888
  336   HD12  LEU  46          HD12      LEU  46  -1.296  11.663 -22.844
  337   HD13  LEU  46          HD13      LEU  46  -1.708  11.803 -21.120
  338   HD21  LEU  46          HD21      LEU  46  -4.643  10.644 -24.009
  339   HD22  LEU  46          HD22      LEU  46  -2.976  11.032 -24.503
  340   HD23  LEU  46          HD23      LEU  46  -3.308   9.537 -23.605
  341    H    VAL  47           H        VAL  47  -2.603  13.414 -20.450
  342    HA   VAL  47           HA       VAL  47  -4.319  15.536 -19.645
  343    HB   VAL  47           HB       VAL  47  -2.596  17.008 -20.429
  344   HG11  VAL  47          HG11      VAL  47  -1.276  14.418 -19.491
  345   HG12  VAL  47          HG12      VAL  47  -0.626  16.064 -19.328
  346   HG13  VAL  47          HG13      VAL  47  -2.083  15.592 -18.425
  347   HG21  VAL  47          HG21      VAL  47  -2.242  16.090 -22.673
  348   HG22  VAL  47          HG22      VAL  47  -0.699  16.191 -21.805
  349   HG23  VAL  47          HG23      VAL  47  -1.518  14.620 -21.984
  350    HA   PRO  48           HA       PRO  48  -6.816  16.228 -23.194
  351    HB2  PRO  48           HB2      PRO  48  -7.197  18.953 -23.098
  352    HB3  PRO  48           HB3      PRO  48  -7.973  17.800 -21.968
  353    HG2  PRO  48           HG2      PRO  48  -5.490  19.477 -21.538
  354    HG3  PRO  48           HG3      PRO  48  -6.855  19.186 -20.408
  355    HD2  PRO  48           HD2      PRO  48  -4.493  17.818 -20.248
  356    HD3  PRO  48           HD3      PRO  48  -6.059  17.059 -19.837
  357    H    ARG  49           H        ARG  49  -6.863  17.299 -25.322
  358    HA   ARG  49           HA       ARG  49  -4.481  18.749 -26.193
  359    HB2  ARG  49           HB2      ARG  49  -3.658  16.446 -26.311
  360    HB3  ARG  49           HB3      ARG  49  -5.122  15.934 -27.169
  361    HG2  ARG  49           HG2      ARG  49  -3.228  16.219 -28.724
  362    HG3  ARG  49           HG3      ARG  49  -4.528  17.364 -29.090
  363    HD2  ARG  49           HD2      ARG  49  -3.288  19.130 -27.817
  364    HD3  ARG  49           HD3      ARG  49  -1.996  17.961 -27.496
  365    HE   ARG  49           HE       ARG  49  -1.241  18.197 -29.679
  366   HH11  ARG  49          HH11      ARG  49  -4.421  19.715 -29.344
  367   HH12  ARG  49          HH12      ARG  49  -4.334  20.514 -30.895
  368   HH21  ARG  49          HH21      ARG  49  -1.160  19.255 -31.704
  369   HH22  ARG  49          HH22      ARG  49  -2.499  20.251 -32.227
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   2.363  -1.073  -0.502
    2    H2   MET   1           H2       MET   1   3.728  -0.320   0.023
    3    H3   MET   1           H3       MET   1   3.621  -1.958   0.101
    4    HA   MET   1           HA       MET   1   3.597  -2.169  -2.247
    5    HB2  MET   1           HB2      MET   1   3.896  -0.192  -3.673
    6    HB3  MET   1           HB3      MET   1   2.401  -0.079  -2.728
    7    HG2  MET   1           HG2      MET   1   3.661   1.310  -1.037
    8    HG3  MET   1           HG3      MET   1   5.029   1.338  -2.158
    9    HE1  MET   1           HE1      MET   1   5.049   2.577  -4.469
   10    HE2  MET   1           HE2      MET   1   3.655   1.597  -4.989
   11    HE3  MET   1           HE3      MET   1   3.627   3.365  -5.183
   12    H    ILE   2           H        ILE   2   5.609  -1.907  -3.655
   13    HA   ILE   2           HA       ILE   2   7.987  -1.255  -2.009
   14    HB   ILE   2           HB       ILE   2   7.175  -3.745  -1.912
   15   HG12  ILE   2          HG12      ILE   2  10.076  -3.221  -2.632
   16   HG13  ILE   2          HG13      ILE   2   9.340  -2.675  -1.107
   17   HG21  ILE   2          HG21      ILE   2   8.759  -3.778  -4.519
   18   HG22  ILE   2          HG22      ILE   2   8.079  -5.181  -3.680
   19   HG23  ILE   2          HG23      ILE   2   6.993  -3.981  -4.417
   20   HD11  ILE   2          HD11      ILE   2   9.473  -5.565  -2.052
   21   HD12  ILE   2          HD12      ILE   2  10.450  -4.833  -0.764
   22   HD13  ILE   2          HD13      ILE   2   8.689  -4.989  -0.561
   23    H    LEU   3           H        LEU   3   9.874  -0.814  -3.214
   24    HA   LEU   3           HA       LEU   3   9.513  -0.519  -6.155
   25    HB2  LEU   3           HB2      LEU   3  10.556   1.547  -4.184
   26    HB3  LEU   3           HB3      LEU   3  10.667   1.700  -5.946
   27    HG   LEU   3           HG       LEU   3   8.023   1.369  -4.456
   28   HD11  LEU   3          HD11      LEU   3   9.190   3.455  -3.782
   29   HD12  LEU   3          HD12      LEU   3   9.363   3.894  -5.503
   30   HD13  LEU   3          HD13      LEU   3   7.748   3.789  -4.761
   31   HD21  LEU   3          HD21      LEU   3   7.961   0.749  -6.846
   32   HD22  LEU   3          HD22      LEU   3   7.110   2.293  -6.580
   33   HD23  LEU   3          HD23      LEU   3   8.748   2.290  -7.270
   34    H    THR   4           H        THR   4  11.426  -0.690  -7.370
   35    HA   THR   4           HA       THR   4  13.719  -1.809  -5.880
   36    HB   THR   4           HB       THR   4  13.460  -1.817  -8.870
   37    HG1  THR   4           HG1      THR   4  12.402  -3.786  -8.641
   38   HG21  THR   4          HG21      THR   4  14.811  -3.868  -8.626
   39   HG22  THR   4          HG22      THR   4  15.619  -2.483  -7.861
   40   HG23  THR   4          HG23      THR   4  14.780  -3.688  -6.858
   41    H    CYS   5           H        CYS   5  15.702  -0.901  -5.767
   42    HA   CYS   5           HA       CYS   5  15.937   1.873  -6.573
   43    HB2  CYS   5           HB2      CYS   5  16.896   1.058  -4.472
   44    HB3  CYS   5           HB3      CYS   5  17.945  -0.065  -5.371
   45    HA   PRO   6           HA       PRO   6  17.709   1.002 -10.597
   46    HB2  PRO   6           HB2      PRO   6  18.848   3.745 -10.341
   47    HB3  PRO   6           HB3      PRO   6  17.797   3.072 -11.628
   48    HG2  PRO   6           HG2      PRO   6  16.841   4.841  -9.765
   49    HG3  PRO   6           HG3      PRO   6  15.847   3.480 -10.387
   50    HD2  PRO   6           HD2      PRO   6  17.342   3.659  -7.776
   51    HD3  PRO   6           HD3      PRO   6  15.718   2.992  -8.132
   52    H    GLU   7           H        GLU   7  19.413   1.890  -7.693
   53    HA   GLU   7           HA       GLU   7  22.043   1.369  -9.014
   54    HB2  GLU   7           HB2      GLU   7  21.397   2.958  -6.502
   55    HB3  GLU   7           HB3      GLU   7  23.016   2.725  -7.184
   56    HG2  GLU   7           HG2      GLU   7  20.689   4.068  -8.624
   57    HG3  GLU   7           HG3      GLU   7  21.984   4.922  -7.772
   58    H    CYS   8           H        CYS   8  20.124   0.749  -6.017
   59    HA   CYS   8           HA       CYS   8  22.151  -1.121  -5.043
   60    HB2  CYS   8           HB2      CYS   8  19.298  -0.603  -4.084
   61    HB3  CYS   8           HB3      CYS   8  20.511  -1.584  -3.254
   62    H    ALA   9           H        ALA   9  19.508  -1.234  -7.247
   63    HA   ALA   9           HA       ALA   9  18.385  -2.908  -8.289
   64    HB1  ALA   9           HB1      ALA   9  19.709  -4.848  -8.976
   65    HB2  ALA   9           HB2      ALA   9  20.662  -3.352  -9.115
   66    HB3  ALA   9           HB3      ALA   9  20.937  -4.465  -7.750
   67    H    SER  10           H        SER  10  17.792  -2.572  -5.558
   68    HA   SER  10           HA       SER  10  17.013  -5.324  -4.774
   69    HB2  SER  10           HB2      SER  10  19.145  -4.641  -3.621
   70    HB3  SER  10           HB3      SER  10  18.267  -3.267  -2.923
   71    HG   SER  10           HG       SER  10  17.765  -6.034  -2.537
   72    H    ARG  11           H        ARG  11  15.308  -5.274  -3.045
   73    HA   ARG  11           HA       ARG  11  13.292  -3.314  -3.897
   74    HB2  ARG  11           HB2      ARG  11  13.081  -5.671  -1.986
   75    HB3  ARG  11           HB3      ARG  11  11.738  -4.769  -2.709
   76    HG2  ARG  11           HG2      ARG  11  13.787  -6.453  -4.224
   77    HG3  ARG  11           HG3      ARG  11  12.106  -6.902  -3.888
   78    HD2  ARG  11           HD2      ARG  11  11.340  -4.921  -5.172
   79    HD3  ARG  11           HD3      ARG  11  13.024  -4.528  -5.562
   80    HE   ARG  11           HE       ARG  11  13.108  -6.845  -6.635
   81   HH11  ARG  11          HH11      ARG  11  10.140  -4.936  -6.446
   82   HH12  ARG  11          HH12      ARG  11   9.415  -5.707  -7.839
   83   HH21  ARG  11          HH21      ARG  11  12.149  -7.823  -8.455
   84   HH22  ARG  11          HH22      ARG  11  10.563  -7.319  -8.989
   85    H    TYR  12           H        TYR  12  12.095  -2.004  -2.530
   86    HA   TYR  12           HA       TYR  12  12.757  -1.851   0.304
   87    HB2  TYR  12           HB2      TYR  12  14.465  -0.407  -0.393
   88    HB3  TYR  12           HB3      TYR  12  13.448   0.347  -1.624
   89    HD1  TYR  12           HD2      TYR  12  14.169   0.176   1.996
   90    HD2  TYR  12           HD1      TYR  12  11.903   2.127  -1.095
   91    HE1  TYR  12           HE2      TYR  12  13.577   1.993   3.583
   92    HE2  TYR  12           HE1      TYR  12  11.329   3.960   0.478
   93    HH   TYR  12           HH       TYR  12  12.475   3.984   3.874
   94    H    PHE  13           H        PHE  13  11.063  -1.252   1.562
   95    HA   PHE  13           HA       PHE  13   8.597  -0.847  -0.008
   96    HB2  PHE  13           HB2      PHE  13   7.491  -1.875   2.065
   97    HB3  PHE  13           HB3      PHE  13   8.363  -2.893   0.928
   98    HD1  PHE  13           HD2      PHE  13   8.562  -1.304   4.275
   99    HD2  PHE  13           HD1      PHE  13  10.350  -4.087   1.530
  100    HE1  PHE  13           HE2      PHE  13   9.997  -2.185   6.097
  101    HE2  PHE  13           HE1      PHE  13  11.793  -4.955   3.342
  102    HZ   PHE  13           HZ       PHE  13  11.620  -4.005   5.634
  103    H    VAL  14           H        VAL  14   6.869   0.359   0.586
  104    HA   VAL  14           HA       VAL  14   7.141   2.243   2.832
  105    HB   VAL  14           HB       VAL  14   6.626   4.164   1.404
  106   HG11  VAL  14          HG11      VAL  14   9.060   2.687   0.331
  107   HG12  VAL  14          HG12      VAL  14   8.775   4.437   0.302
  108   HG13  VAL  14          HG13      VAL  14   9.006   3.609   1.858
  109   HG21  VAL  14          HG21      VAL  14   5.430   3.011  -0.406
  110   HG22  VAL  14          HG22      VAL  14   6.758   3.996  -1.054
  111   HG23  VAL  14          HG23      VAL  14   6.939   2.230  -0.926
  112    H    ASP  15           H        ASP  15   5.036   3.382   3.233
  113    HA   ASP  15           HA       ASP  15   2.850   1.559   2.997
  114    HB2  ASP  15           HB2      ASP  15   2.974   4.465   3.851
  115    HB3  ASP  15           HB3      ASP  15   1.514   3.474   3.938
  116    H    ASP  16           H        ASP  16   0.800   1.858   1.932
  117    HA   ASP  16           HA       ASP  16   1.148   2.554  -0.820
  118    HB2  ASP  16           HB2      ASP  16  -1.323   1.888   0.811
  119    HB3  ASP  16           HB3      ASP  16  -1.319   2.081  -0.949
  120    H    SER  17           H        SER  17   0.568   4.568   1.850
  121    HA   SER  17           HA       SER  17  -1.082   6.499   0.376
  122    HB2  SER  17           HB2      SER  17  -1.000   7.764   2.478
  123    HB3  SER  17           HB3      SER  17  -1.451   6.074   2.789
  124    HG   SER  17           HG       SER  17   0.180   6.839   4.217
  125    H    LYS  18           H        LYS  18   2.239   5.728   0.586
  126    HA   LYS  18           HA       LYS  18   3.236   8.468   0.507
  127    HB2  LYS  18           HB2      LYS  18   4.660   5.846  -0.076
  128    HB3  LYS  18           HB3      LYS  18   5.419   7.409   0.252
  129    HG2  LYS  18           HG2      LYS  18   3.711   5.761   2.177
  130    HG3  LYS  18           HG3      LYS  18   5.462   5.992   2.256
  131    HD2  LYS  18           HD2      LYS  18   3.355   8.171   2.604
  132    HD3  LYS  18           HD3      LYS  18   4.320   7.415   3.883
  133    HE2  LYS  18           HE2      LYS  18   6.393   8.242   2.784
  134    HE3  LYS  18           HE3      LYS  18   5.408   9.058   1.555
  135    HZ1  LYS  18           HZ1      LYS  18   6.028  10.561   3.314
  136    HZ2  LYS  18           HZ2      LYS  18   4.399  10.352   3.308
  137    HZ3  LYS  18           HZ3      LYS  18   5.317   9.598   4.443
  138    H    VAL  19           H        VAL  19   1.745   6.459  -1.777
  139    HA   VAL  19           HA       VAL  19   2.799   8.132  -3.964
  140    HB   VAL  19           HB       VAL  19   2.641   5.114  -4.184
  141   HG11  VAL  19          HG11      VAL  19   3.892   5.530  -6.303
  142   HG12  VAL  19          HG12      VAL  19   2.288   6.298  -6.309
  143   HG13  VAL  19          HG13      VAL  19   3.745   7.279  -6.025
  144   HG21  VAL  19          HG21      VAL  19   5.079   6.915  -3.844
  145   HG22  VAL  19          HG22      VAL  19   4.495   5.670  -2.703
  146   HG23  VAL  19          HG23      VAL  19   5.131   5.199  -4.289
  147    H    GLY  20           H        GLY  20   1.345   8.497  -5.651
  148    HA2  GLY  20           HA2      GLY  20  -1.361   7.260  -5.349
  149    HA3  GLY  20           HA3      GLY  20  -1.146   8.991  -5.625
  150    HA   PRO  21           HA       PRO  21  -1.445   6.683  -9.695
  151    HB2  PRO  21           HB2      PRO  21  -3.731   7.902 -10.626
  152    HB3  PRO  21           HB3      PRO  21  -3.746   6.427  -9.613
  153    HG2  PRO  21           HG2      PRO  21  -4.203   9.294  -8.788
  154    HG3  PRO  21           HG3      PRO  21  -5.073   7.822  -8.247
  155    HD2  PRO  21           HD2      PRO  21  -3.057   9.031  -6.787
  156    HD3  PRO  21           HD3      PRO  21  -3.392   7.279  -6.706
  157    H    ASP  22           H        ASP  22  -1.632  10.020  -8.579
  158    HA   ASP  22           HA       ASP  22  -0.889  11.177 -11.141
  159    HB2  ASP  22           HB2      ASP  22  -1.007  12.259  -8.304
  160    HB3  ASP  22           HB3      ASP  22  -0.585  13.230  -9.729
  161    H    GLY  23           H        GLY  23   0.789   9.284  -8.973
  162    HA2  GLY  23           HA2      GLY  23   3.032   8.720  -9.039
  163    HA3  GLY  23           HA3      GLY  23   3.376  10.124 -10.059
  164    H    ARG  24           H        ARG  24   4.969   9.333  -7.868
  165    HA   ARG  24           HA       ARG  24   5.043  11.826  -6.363
  166    HB2  ARG  24           HB2      ARG  24   3.576   9.663  -5.275
  167    HB3  ARG  24           HB3      ARG  24   5.143   9.586  -4.467
  168    HG2  ARG  24           HG2      ARG  24   3.287  12.013  -4.639
  169    HG3  ARG  24           HG3      ARG  24   3.529  10.995  -3.214
  170    HD2  ARG  24           HD2      ARG  24   5.645  12.723  -4.559
  171    HD3  ARG  24           HD3      ARG  24   4.803  13.096  -3.051
  172    HE   ARG  24           HE       ARG  24   6.862  10.991  -3.465
  173   HH11  ARG  24          HH11      ARG  24   4.691  12.706  -1.269
  174   HH12  ARG  24          HH12      ARG  24   5.516  12.150   0.168
  175   HH21  ARG  24          HH21      ARG  24   7.916  10.280  -1.595
  176   HH22  ARG  24          HH22      ARG  24   7.344  10.775  -0.017
  177    H    VAL  25           H        VAL  25   7.171  12.220  -5.646
  178    HA   VAL  25           HA       VAL  25   9.181  10.432  -6.710
  179    HB   VAL  25           HB       VAL  25   9.287  12.955  -6.697
  180   HG11  VAL  25          HG11      VAL  25  10.071  12.504  -3.788
  181   HG12  VAL  25          HG12      VAL  25  10.121  14.050  -4.670
  182   HG13  VAL  25          HG13      VAL  25   8.561  13.270  -4.337
  183   HG21  VAL  25          HG21      VAL  25  11.262  11.523  -7.162
  184   HG22  VAL  25          HG22      VAL  25  11.702  13.019  -6.315
  185   HG23  VAL  25          HG23      VAL  25  11.638  11.482  -5.422
  186    H    VAL  26           H        VAL  26  10.857   9.365  -5.588
  187    HA   VAL  26           HA       VAL  26  10.442   8.949  -2.682
  188    HB   VAL  26           HB       VAL  26  10.531   6.596  -2.825
  189   HG11  VAL  26          HG11      VAL  26   8.309   7.566  -3.379
  190   HG12  VAL  26          HG12      VAL  26   8.735   7.519  -5.111
  191   HG13  VAL  26          HG13      VAL  26   8.581   6.008  -4.194
  192   HG21  VAL  26          HG21      VAL  26  11.064   6.911  -5.807
  193   HG22  VAL  26          HG22      VAL  26  12.252   6.393  -4.585
  194   HG23  VAL  26          HG23      VAL  26  10.842   5.374  -4.947
  195    H    ARG  27           H        ARG  27  12.359   7.791  -1.674
  196    HA   ARG  27           HA       ARG  27  14.862   8.301  -3.166
  197    HB2  ARG  27           HB2      ARG  27  14.327  10.360  -1.871
  198    HB3  ARG  27           HB3      ARG  27  14.328   9.408  -0.375
  199    HG2  ARG  27           HG2      ARG  27  16.689   8.803  -0.726
  200    HG3  ARG  27           HG3      ARG  27  16.685   9.634  -2.297
  201    HD2  ARG  27           HD2      ARG  27  16.133  11.768  -1.120
  202    HD3  ARG  27           HD3      ARG  27  16.260  10.915   0.425
  203    HE   ARG  27           HE       ARG  27  18.546  11.063  -1.510
  204   HH11  ARG  27          HH11      ARG  27  17.240  11.543   1.741
  205   HH12  ARG  27          HH12      ARG  27  18.798  11.915   2.439
  206   HH21  ARG  27          HH21      ARG  27  20.565  11.545  -0.572
  207   HH22  ARG  27          HH22      ARG  27  20.680  11.906   1.133
  208    H    CYS  28           H        CYS  28  16.571   7.018  -2.608
  209    HA   CYS  28           HA       CYS  28  15.850   4.486  -1.417
  210    HB2  CYS  28           HB2      CYS  28  17.299   4.825  -3.431
  211    HB3  CYS  28           HB3      CYS  28  18.544   5.528  -2.378
  212    H    ALA  29           H        ALA  29  16.346   3.687   0.567
  213    HA   ALA  29           HA       ALA  29  17.557   5.458   2.555
  214    HB1  ALA  29           HB1      ALA  29  15.631   4.015   3.098
  215    HB2  ALA  29           HB2      ALA  29  16.595   2.574   2.697
  216    HB3  ALA  29           HB3      ALA  29  17.045   3.593   4.087
  217    H    SER  30           H        SER  30  18.791   3.322   0.190
  218    HA   SER  30           HA       SER  30  21.024   2.464   1.952
  219    HB2  SER  30           HB2      SER  30  19.822   1.262  -0.556
  220    HB3  SER  30           HB3      SER  30  21.351   0.712   0.163
  221    HG   SER  30           HG       SER  30  19.513  -0.461   0.928
  222    H    CYS  31           H        CYS  31  20.323   4.486  -0.830
  223    HA   CYS  31           HA       CYS  31  23.203   5.082  -0.902
  224    HB2  CYS  31           HB2      CYS  31  23.472   4.795  -3.262
  225    HB3  CYS  31           HB3      CYS  31  22.819   3.284  -2.597
  226    H    GLY  32           H        GLY  32  20.008   6.182  -0.906
  227    HA2  GLY  32           HA2      GLY  32  19.345   8.376  -0.659
  228    HA3  GLY  32           HA3      GLY  32  20.992   8.908  -1.046
  229    H    ASN  33           H        ASN  33  20.014   6.766  -3.460
  230    HA   ASN  33           HA       ASN  33  19.823   8.742  -5.487
  231    HB2  ASN  33           HB2      ASN  33  20.447   6.324  -5.750
  232    HB3  ASN  33           HB3      ASN  33  18.751   5.897  -5.486
  233   HD21  ASN  33          HD22      ASN  33  18.599   4.954  -7.584
  234   HD22  ASN  33          HD21      ASN  33  18.496   5.951  -9.021
  235    H    ARG  34           H        ARG  34  17.959   9.358  -6.786
  236    HA   ARG  34           HA       ARG  34  15.351   9.151  -5.370
  237    HB2  ARG  34           HB2      ARG  34  16.376  11.179  -4.554
  238    HB3  ARG  34           HB3      ARG  34  16.788  11.694  -6.198
  239    HG2  ARG  34           HG2      ARG  34  14.399  11.895  -6.771
  240    HG3  ARG  34           HG3      ARG  34  13.943  11.305  -5.159
  241    HD2  ARG  34           HD2      ARG  34  13.800  13.744  -5.213
  242    HD3  ARG  34           HD3      ARG  34  15.088  13.231  -4.122
  243    HE   ARG  34           HE       ARG  34  16.710  14.092  -5.583
  244   HH11  ARG  34          HH11      ARG  34  13.474  14.345  -6.987
  245   HH12  ARG  34          HH12      ARG  34  13.983  15.442  -8.248
  246   HH21  ARG  34          HH21      ARG  34  17.342  15.528  -7.239
  247   HH22  ARG  34          HH22      ARG  34  16.159  16.111  -8.388
  248    H    TRP  35           H        TRP  35  13.605   8.991  -6.683
  249    HA   TRP  35           HA       TRP  35  13.668   9.867  -9.454
  250    HB2  TRP  35           HB2      TRP  35  13.374   7.688 -10.448
  251    HB3  TRP  35           HB3      TRP  35  14.896   7.699  -9.564
  252    HD1  TRP  35           HD1      TRP  35  11.539   6.013  -9.743
  253    HE1  TRP  35           HE1      TRP  35  11.375   4.085  -8.102
  254    HE3  TRP  35           HE3      TRP  35  15.838   6.853  -7.091
  255    HZ2  TRP  35           HZ2      TRP  35  12.899   3.024  -5.890
  256    HZ3  TRP  35           HZ3      TRP  35  16.438   5.367  -5.213
  257    HH2  TRP  35           HH2      TRP  35  14.993   3.450  -4.604
  258    H    THR  36           H        THR  36  11.523   9.472 -10.495
  259    HA   THR  36           HA       THR  36   9.418   9.761  -8.527
  260    HB   THR  36           HB       THR  36   8.875   9.605 -11.461
  261    HG1  THR  36           HG1      THR  36   9.501  11.775 -11.585
  262   HG21  THR  36          HG21      THR  36   7.004   9.907  -9.896
  263   HG22  THR  36          HG22      THR  36   7.824  11.305  -9.156
  264   HG23  THR  36          HG23      THR  36   7.257  11.394 -10.843
  265    H    ALA  37           H        ALA  37   7.671   8.484  -8.082
  266    HA   ALA  37           HA       ALA  37   7.668   5.759  -9.291
  267    HB1  ALA  37           HB1      ALA  37   7.018   6.574  -6.431
  268    HB2  ALA  37           HB2      ALA  37   6.939   4.928  -7.089
  269    HB3  ALA  37           HB3      ALA  37   8.511   5.751  -6.962
  270    H    PHE  38           H        PHE  38   5.475   4.709  -9.150
  271    HA   PHE  38           HA       PHE  38   3.234   6.531  -8.788
  272    HB2  PHE  38           HB2      PHE  38   2.315   5.874 -11.096
  273    HB3  PHE  38           HB3      PHE  38   3.506   7.168 -10.946
  274    HD1  PHE  38           HD1      PHE  38   2.997   3.658 -12.026
  275    HD2  PHE  38           HD2      PHE  38   5.722   6.985 -11.871
  276    HE1  PHE  38           HE1      PHE  38   4.487   2.516 -13.651
  277    HE2  PHE  38           HE2      PHE  38   7.203   5.844 -13.495
  278    HZ   PHE  38           HZ       PHE  38   6.589   3.614 -14.385
  279    H    LYS  39           H        LYS  39   1.206   5.626  -8.543
  280    HA   LYS  39           HA       LYS  39   1.293   2.928  -7.480
  281    HB2  LYS  39           HB2      LYS  39   0.034   4.669  -6.370
  282    HB3  LYS  39           HB3      LYS  39  -0.957   4.950  -7.817
  283    HG2  LYS  39           HG2      LYS  39  -2.028   2.825  -7.642
  284    HG3  LYS  39           HG3      LYS  39  -0.838   2.237  -6.457
  285    HD2  LYS  39           HD2      LYS  39  -2.728   4.566  -5.935
  286    HD3  LYS  39           HD3      LYS  39  -3.065   2.885  -5.466
  287    HE2  LYS  39           HE2      LYS  39  -0.947   2.840  -4.153
  288    HE3  LYS  39           HE3      LYS  39  -0.660   4.534  -4.572
  289    HZ1  LYS  39           HZ1      LYS  39  -2.966   3.508  -3.058
  290    HZ2  LYS  39           HZ2      LYS  39  -1.684   4.330  -2.434
  291    HZ3  LYS  39           HZ3      LYS  39  -2.720   5.088  -3.465
  292    H    ASP  40           H        ASP  40  -0.065   1.176  -8.111
  293    HA   ASP  40           HA       ASP  40  -1.218   1.227 -10.822
  294    HB2  ASP  40           HB2      ASP  40   1.249   0.669 -11.017
  295    HB3  ASP  40           HB3      ASP  40   0.944  -0.758 -10.007
  296    H    GLU  41           H        GLU  41  -2.065   0.970  -7.925
  297    HA   GLU  41           HA       GLU  41  -2.658  -1.748  -7.322
  298    HB2  GLU  41           HB2      GLU  41  -2.516   0.061  -5.670
  299    HB3  GLU  41           HB3      GLU  41  -3.911   0.873  -6.423
  300    HG2  GLU  41           HG2      GLU  41  -5.359  -1.008  -5.853
  301    HG3  GLU  41           HG3      GLU  41  -3.980  -1.911  -5.196
  302    H    ALA  42           H        ALA  42  -4.155   0.612  -9.436
  303    HA   ALA  42           HA       ALA  42  -6.143  -1.342 -10.300
  304    HB1  ALA  42           HB1      ALA  42  -8.061   0.163  -9.874
  305    HB2  ALA  42           HB2      ALA  42  -7.252  -0.298  -8.355
  306    HB3  ALA  42           HB3      ALA  42  -6.978   1.313  -9.065
  307    H    GLU  43           H        GLU  43  -7.373  -0.509 -12.200
  308    HA   GLU  43           HA       GLU  43  -6.324   1.877 -13.530
  309    HB2  GLU  43           HB2      GLU  43  -4.629   0.149 -14.093
  310    HB3  GLU  43           HB3      GLU  43  -5.912  -0.930 -14.642
  311    HG2  GLU  43           HG2      GLU  43  -4.926   0.047 -16.588
  312    HG3  GLU  43           HG3      GLU  43  -6.528   0.766 -16.400
  313    H    LEU  44           H        LEU  44  -7.743   2.629 -15.146
  314    HA   LEU  44           HA       LEU  44 -10.186   1.027 -15.653
  315    HB2  LEU  44           HB2      LEU  44 -10.086   3.850 -14.506
  316    HB3  LEU  44           HB3      LEU  44 -11.545   3.107 -15.176
  317    HG   LEU  44           HG       LEU  44  -9.970   1.938 -12.841
  318   HD11  LEU  44          HD11      LEU  44 -12.527   3.587 -12.879
  319   HD12  LEU  44          HD12      LEU  44 -11.804   2.814 -11.448
  320   HD13  LEU  44          HD13      LEU  44 -10.943   4.130 -12.277
  321   HD21  LEU  44          HD21      LEU  44 -12.745   1.346 -13.973
  322   HD22  LEU  44          HD22      LEU  44 -11.328   0.274 -14.086
  323   HD23  LEU  44          HD23      LEU  44 -12.050   0.620 -12.506
  324    H    GLU  45           H        GLU  45 -11.550   2.015 -17.373
  325    HA   GLU  45           HA       GLU  45 -10.012   3.727 -19.253
  326    HB2  GLU  45           HB2      GLU  45 -11.434   1.130 -19.950
  327    HB3  GLU  45           HB3      GLU  45 -10.735   2.268 -21.115
  328    HG2  GLU  45           HG2      GLU  45  -8.499   1.959 -20.019
  329    HG3  GLU  45           HG3      GLU  45  -9.217   0.727 -18.966
  330    H    LEU  46           H        LEU  46 -12.575   3.666 -17.341
  331    HA   LEU  46           HA       LEU  46 -14.720   4.360 -19.163
  332    HB2  LEU  46           HB2      LEU  46 -14.415   4.831 -16.171
  333    HB3  LEU  46           HB3      LEU  46 -15.922   4.950 -17.094
  334    HG   LEU  46           HG       LEU  46 -14.251   2.414 -16.774
  335   HD11  LEU  46          HD11      LEU  46 -16.904   3.243 -15.526
  336   HD12  LEU  46          HD12      LEU  46 -16.111   1.664 -15.338
  337   HD13  LEU  46          HD13      LEU  46 -15.346   3.122 -14.673
  338   HD21  LEU  46          HD21      LEU  46 -16.989   2.909 -18.023
  339   HD22  LEU  46          HD22      LEU  46 -15.510   2.437 -18.892
  340   HD23  LEU  46          HD23      LEU  46 -16.259   1.310 -17.749
  341    H    VAL  47           H        VAL  47 -11.904   5.932 -18.520
  342    HA   VAL  47           HA       VAL  47 -13.090   8.590 -19.060
  343    HB   VAL  47           HB       VAL  47 -11.671   9.652 -17.398
  344   HG11  VAL  47          HG11      VAL  47 -13.128   7.303 -16.119
  345   HG12  VAL  47          HG12      VAL  47 -12.704   8.846 -15.348
  346   HG13  VAL  47          HG13      VAL  47 -13.895   8.815 -16.665
  347   HG21  VAL  47          HG21      VAL  47 -10.735   6.842 -16.686
  348   HG22  VAL  47          HG22      VAL  47  -9.751   8.102 -17.469
  349   HG23  VAL  47          HG23      VAL  47 -10.333   8.332 -15.807
  350    HA   PRO  48           HA       PRO  48  -9.984   9.080 -22.087
  351    HB2  PRO  48           HB2      PRO  48  -8.977  11.540 -20.683
  352    HB3  PRO  48           HB3      PRO  48  -9.462  11.338 -22.398
  353    HG2  PRO  48           HG2      PRO  48 -11.106  12.574 -20.614
  354    HG3  PRO  48           HG3      PRO  48 -11.767  11.453 -21.851
  355    HD2  PRO  48           HD2      PRO  48 -11.222  10.945 -18.930
  356    HD3  PRO  48           HD3      PRO  48 -12.606  10.401 -19.938
  357    H    ARG  49           H        ARG  49  -7.772   8.679 -22.520
  358    HA   ARG  49           HA       ARG  49  -5.919   8.361 -20.259
  359    HB2  ARG  49           HB2      ARG  49  -7.344   6.339 -20.160
  360    HB3  ARG  49           HB3      ARG  49  -6.970   5.992 -21.857
  361    HG2  ARG  49           HG2      ARG  49  -4.561   5.769 -21.275
  362    HG3  ARG  49           HG3      ARG  49  -4.952   6.117 -19.574
  363    HD2  ARG  49           HD2      ARG  49  -6.508   4.155 -19.574
  364    HD3  ARG  49           HD3      ARG  49  -6.000   3.776 -21.226
  365    HE   ARG  49           HE       ARG  49  -4.535   3.280 -18.755
  366   HH11  ARG  49          HH11      ARG  49  -4.246   3.716 -22.249
  367   HH12  ARG  49          HH12      ARG  49  -2.722   2.861 -22.346
  368   HH21  ARG  49          HH21      ARG  49  -2.555   2.189 -18.905
  369   HH22  ARG  49          HH22      ARG  49  -1.768   1.989 -20.454
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   2.541  -0.425  -0.728
    2    H2   MET   1           H2       MET   1   3.905  -0.272   0.180
    3    H3   MET   1           H3       MET   1   3.518  -1.730  -0.487
    4    HA   MET   1           HA       MET   1   3.824  -0.895  -2.680
    5    HB2  MET   1           HB2      MET   1   3.191   1.399  -2.406
    6    HB3  MET   1           HB3      MET   1   4.441   1.658  -1.176
    7    HG2  MET   1           HG2      MET   1   5.207   2.647  -3.223
    8    HG3  MET   1           HG3      MET   1   6.195   1.234  -2.898
    9    HE1  MET   1           HE1      MET   1   3.863   3.094  -5.260
   10    HE2  MET   1           HE2      MET   1   3.137   1.837  -6.294
   11    HE3  MET   1           HE3      MET   1   2.667   1.968  -4.580
   12    H    ILE   2           H        ILE   2   5.753  -1.473  -3.635
   13    HA   ILE   2           HA       ILE   2   8.211  -1.131  -2.041
   14    HB   ILE   2           HB       ILE   2   7.090  -3.521  -1.903
   15   HG12  ILE   2          HG12      ILE   2  10.040  -3.294  -2.616
   16   HG13  ILE   2          HG13      ILE   2   9.356  -2.681  -1.095
   17   HG21  ILE   2          HG21      ILE   2   8.681  -3.769  -4.486
   18   HG22  ILE   2          HG22      ILE   2   7.836  -5.069  -3.632
   19   HG23  ILE   2          HG23      ILE   2   6.899  -3.769  -4.401
   20   HD11  ILE   2          HD11      ILE   2  10.261  -4.929  -0.746
   21   HD12  ILE   2          HD12      ILE   2   8.495  -4.930  -0.548
   22   HD13  ILE   2          HD13      ILE   2   9.228  -5.573  -2.043
   23    H    LEU   3           H        LEU   3   9.995  -0.634  -3.290
   24    HA   LEU   3           HA       LEU   3   9.575  -0.492  -6.238
   25    HB2  LEU   3           HB2      LEU   3  10.534   1.711  -4.375
   26    HB3  LEU   3           HB3      LEU   3  10.619   1.795  -6.139
   27    HG   LEU   3           HG       LEU   3   7.991   1.356  -4.642
   28   HD11  LEU   3          HD11      LEU   3   9.207   3.940  -5.676
   29   HD12  LEU   3          HD12      LEU   3   7.589   3.746  -4.958
   30   HD13  LEU   3          HD13      LEU   3   9.030   3.492  -3.957
   31   HD21  LEU   3          HD21      LEU   3   7.999   0.732  -7.049
   32   HD22  LEU   3          HD22      LEU   3   7.035   2.197  -6.764
   33   HD23  LEU   3          HD23      LEU   3   8.671   2.331  -7.450
   34    H    THR   4           H        THR   4  11.425  -0.750  -7.484
   35    HA   THR   4           HA       THR   4  13.767  -1.763  -6.035
   36    HB   THR   4           HB       THR   4  13.492  -1.727  -9.029
   37    HG1  THR   4           HG1      THR   4  12.461  -3.727  -8.802
   38   HG21  THR   4          HG21      THR   4  14.868  -3.768  -8.820
   39   HG22  THR   4          HG22      THR   4  15.668  -2.384  -8.057
   40   HG23  THR   4          HG23      THR   4  14.847  -3.600  -7.047
   41    H    CYS   5           H        CYS   5  15.730  -0.835  -5.882
   42    HA   CYS   5           HA       CYS   5  15.945   1.961  -6.621
   43    HB2  CYS   5           HB2      CYS   5  16.850   1.101  -4.516
   44    HB3  CYS   5           HB3      CYS   5  17.933   0.009  -5.409
   45    HA   PRO   6           HA       PRO   6  17.849   1.201 -10.607
   46    HB2  PRO   6           HB2      PRO   6  18.947   3.949 -10.256
   47    HB3  PRO   6           HB3      PRO   6  17.949   3.296 -11.590
   48    HG2  PRO   6           HG2      PRO   6  16.915   5.011  -9.726
   49    HG3  PRO   6           HG3      PRO   6  15.952   3.653 -10.400
   50    HD2  PRO   6           HD2      PRO   6  17.383   3.794  -7.749
   51    HD3  PRO   6           HD3      PRO   6  15.772   3.120  -8.151
   52    H    GLU   7           H        GLU   7  19.468   2.093  -7.641
   53    HA   GLU   7           HA       GLU   7  22.132   1.597  -8.894
   54    HB2  GLU   7           HB2      GLU   7  21.409   3.094  -6.349
   55    HB3  GLU   7           HB3      GLU   7  23.037   2.899  -6.998
   56    HG2  GLU   7           HG2      GLU   7  20.734   4.285  -8.443
   57    HG3  GLU   7           HG3      GLU   7  22.009   5.116  -7.546
   58    H    CYS   8           H        CYS   8  20.105   0.861  -6.000
   59    HA   CYS   8           HA       CYS   8  22.108  -1.032  -5.023
   60    HB2  CYS   8           HB2      CYS   8  19.247  -0.542  -4.097
   61    HB3  CYS   8           HB3      CYS   8  20.461  -1.535  -3.277
   62    H    ALA   9           H        ALA   9  19.542  -1.073  -7.313
   63    HA   ALA   9           HA       ALA   9  18.477  -2.702  -8.479
   64    HB1  ALA   9           HB1      ALA   9  21.030  -4.243  -7.887
   65    HB2  ALA   9           HB2      ALA   9  19.859  -4.601  -9.176
   66    HB3  ALA   9           HB3      ALA   9  20.792  -3.086  -9.218
   67    H    SER  10           H        SER  10  17.724  -2.514  -5.771
   68    HA   SER  10           HA       SER  10  16.866  -5.285  -5.211
   69    HB2  SER  10           HB2      SER  10  19.004  -4.822  -3.986
   70    HB3  SER  10           HB3      SER  10  18.198  -3.472  -3.163
   71    HG   SER  10           HG       SER  10  18.113  -5.426  -1.951
   72    H    ARG  11           H        ARG  11  15.122  -5.314  -3.545
   73    HA   ARG  11           HA       ARG  11  13.260  -3.132  -4.175
   74    HB2  ARG  11           HB2      ARG  11  12.946  -5.793  -2.732
   75    HB3  ARG  11           HB3      ARG  11  11.622  -4.641  -3.004
   76    HG2  ARG  11           HG2      ARG  11  12.084  -4.745  -5.464
   77    HG3  ARG  11           HG3      ARG  11  13.284  -6.020  -5.155
   78    HD2  ARG  11           HD2      ARG  11  10.327  -6.130  -4.413
   79    HD3  ARG  11           HD3      ARG  11  11.059  -6.936  -5.805
   80    HE   ARG  11           HE       ARG  11  11.255  -7.730  -2.983
   81   HH11  ARG  11          HH11      ARG  11  12.529  -8.114  -6.260
   82   HH12  ARG  11          HH12      ARG  11  13.240  -9.678  -5.931
   83   HH21  ARG  11          HH21      ARG  11  12.208  -9.764  -2.570
   84   HH22  ARG  11          HH22      ARG  11  13.071 -10.603  -3.841
   85    H    TYR  12           H        TYR  12  12.100  -1.921  -2.677
   86    HA   TYR  12           HA       TYR  12  12.759  -2.094   0.151
   87    HB2  TYR  12           HB2      TYR  12  14.562  -0.710  -0.373
   88    HB3  TYR  12           HB3      TYR  12  13.629   0.220  -1.546
   89    HD1  TYR  12           HD1      TYR  12  14.225  -0.345   2.064
   90    HD2  TYR  12           HD2      TYR  12  12.231   2.062  -0.889
   91    HE1  TYR  12           HE1      TYR  12  13.707   1.346   3.803
   92    HE2  TYR  12           HE2      TYR  12  11.744   3.782   0.834
   93    HH   TYR  12           HH       TYR  12  12.715   3.370   4.262
   94    H    PHE  13           H        PHE  13  11.164  -1.353   1.516
   95    HA   PHE  13           HA       PHE  13   8.697  -0.790   0.011
   96    HB2  PHE  13           HB2      PHE  13   7.577  -1.726   2.118
   97    HB3  PHE  13           HB3      PHE  13   8.369  -2.808   0.979
   98    HD1  PHE  13           HD1      PHE  13   8.628  -1.254   4.320
   99    HD2  PHE  13           HD2      PHE  13  10.360  -4.044   1.547
  100    HE1  PHE  13           HE1      PHE  13  10.028  -2.191   6.140
  101    HE2  PHE  13           HE2      PHE  13  11.764  -4.984   3.364
  102    HZ   PHE  13           HZ       PHE  13  11.595  -4.062   5.665
  103    H    VAL  14           H        VAL  14   7.057   0.532   0.649
  104    HA   VAL  14           HA       VAL  14   7.545   2.450   2.830
  105    HB   VAL  14           HB       VAL  14   7.108   4.362   1.380
  106   HG11  VAL  14          HG11      VAL  14   9.463   3.640   1.726
  107   HG12  VAL  14          HG12      VAL  14   9.372   2.684   0.225
  108   HG13  VAL  14          HG13      VAL  14   9.217   4.450   0.163
  109   HG21  VAL  14          HG21      VAL  14   7.121   4.110  -1.092
  110   HG22  VAL  14          HG22      VAL  14   7.168   2.343  -0.904
  111   HG23  VAL  14          HG23      VAL  14   5.744   3.264  -0.356
  112    H    ASP  15           H        ASP  15   5.535   3.779   3.213
  113    HA   ASP  15           HA       ASP  15   3.250   2.081   3.343
  114    HB2  ASP  15           HB2      ASP  15   3.805   3.929   4.929
  115    HB3  ASP  15           HB3      ASP  15   3.487   5.103   3.645
  116    H    ASP  16           H        ASP  16   1.179   2.349   2.273
  117    HA   ASP  16           HA       ASP  16   1.427   2.741  -0.553
  118    HB2  ASP  16           HB2      ASP  16  -1.007   2.421   1.237
  119    HB3  ASP  16           HB3      ASP  16  -1.041   2.376  -0.534
  120    H    SER  17           H        SER  17   1.011   5.010   1.974
  121    HA   SER  17           HA       SER  17  -0.528   6.939   0.405
  122    HB2  SER  17           HB2      SER  17  -0.753   6.793   2.851
  123    HB3  SER  17           HB3      SER  17   0.974   7.161   3.042
  124    HG   SER  17           HG       SER  17  -1.003   8.840   1.890
  125    H    LYS  18           H        LYS  18   2.792   5.942   0.624
  126    HA   LYS  18           HA       LYS  18   4.034   8.491   0.194
  127    HB2  LYS  18           HB2      LYS  18   5.192   6.571   1.172
  128    HB3  LYS  18           HB3      LYS  18   4.950   5.635  -0.314
  129    HG2  LYS  18           HG2      LYS  18   7.229   6.536  -0.150
  130    HG3  LYS  18           HG3      LYS  18   6.376   7.172  -1.567
  131    HD2  LYS  18           HD2      LYS  18   5.883   9.269  -0.335
  132    HD3  LYS  18           HD3      LYS  18   6.708   8.619   1.102
  133    HE2  LYS  18           HE2      LYS  18   8.798   8.431  -0.196
  134    HE3  LYS  18           HE3      LYS  18   7.974   9.057  -1.635
  135    HZ1  LYS  18           HZ1      LYS  18   9.178  10.784  -0.505
  136    HZ2  LYS  18           HZ2      LYS  18   7.567  11.098  -0.450
  137    HZ3  LYS  18           HZ3      LYS  18   8.344  10.532   0.886
  138    H    VAL  19           H        VAL  19   2.260   6.348  -1.878
  139    HA   VAL  19           HA       VAL  19   3.155   7.918  -4.234
  140    HB   VAL  19           HB       VAL  19   2.781   4.906  -4.252
  141   HG11  VAL  19          HG11      VAL  19   3.855   5.120  -6.487
  142   HG12  VAL  19          HG12      VAL  19   2.323   6.016  -6.406
  143   HG13  VAL  19          HG13      VAL  19   3.875   6.884  -6.300
  144   HG21  VAL  19          HG21      VAL  19   5.330   6.571  -4.205
  145   HG22  VAL  19          HG22      VAL  19   4.791   5.416  -2.962
  146   HG23  VAL  19          HG23      VAL  19   5.255   4.826  -4.567
  147    H    GLY  20           H        GLY  20   1.606   8.347  -5.770
  148    HA2  GLY  20           HA2      GLY  20  -1.150   7.343  -5.208
  149    HA3  GLY  20           HA3      GLY  20  -0.831   9.047  -5.557
  150    HA   PRO  21           HA       PRO  21  -1.636   6.597  -9.485
  151    HB2  PRO  21           HB2      PRO  21  -3.934   7.886 -10.276
  152    HB3  PRO  21           HB3      PRO  21  -3.927   6.481  -9.167
  153    HG2  PRO  21           HG2      PRO  21  -4.136   9.420  -8.484
  154    HG3  PRO  21           HG3      PRO  21  -5.051   8.042  -7.790
  155    HD2  PRO  21           HD2      PRO  21  -2.849   9.186  -6.585
  156    HD3  PRO  21           HD3      PRO  21  -3.273   7.457  -6.380
  157    H    ASP  22           H        ASP  22  -1.584  10.016  -8.567
  158    HA   ASP  22           HA       ASP  22  -0.979  10.956 -11.255
  159    HB2  ASP  22           HB2      ASP  22  -0.893  12.253  -8.514
  160    HB3  ASP  22           HB3      ASP  22  -0.553  13.098 -10.035
  161    H    GLY  23           H        GLY  23   0.757   9.219  -8.992
  162    HA2  GLY  23           HA2      GLY  23   2.978   8.589  -9.020
  163    HA3  GLY  23           HA3      GLY  23   3.316   9.799 -10.269
  164    H    ARG  24           H        ARG  24   4.914   9.221  -7.908
  165    HA   ARG  24           HA       ARG  24   5.250  11.928  -6.927
  166    HB2  ARG  24           HB2      ARG  24   3.422  11.159  -5.470
  167    HB3  ARG  24           HB3      ARG  24   4.378   9.733  -5.009
  168    HG2  ARG  24           HG2      ARG  24   5.809  10.955  -3.665
  169    HG3  ARG  24           HG3      ARG  24   5.669  12.419  -4.655
  170    HD2  ARG  24           HD2      ARG  24   4.598  12.638  -2.408
  171    HD3  ARG  24           HD3      ARG  24   3.504  12.941  -3.768
  172    HE   ARG  24           HE       ARG  24   3.562  10.425  -2.140
  173   HH11  ARG  24          HH11      ARG  24   1.867  12.703  -4.246
  174   HH12  ARG  24          HH12      ARG  24   0.307  11.947  -4.010
  175   HH21  ARG  24          HH21      ARG  24   1.490   9.506  -1.788
  176   HH22  ARG  24          HH22      ARG  24   0.108  10.129  -2.659
  177    H    VAL  25           H        VAL  25   7.296  12.215  -5.940
  178    HA   VAL  25           HA       VAL  25   9.236  10.250  -6.796
  179    HB   VAL  25           HB       VAL  25   9.508  12.734  -6.953
  180   HG11  VAL  25          HG11      VAL  25  10.057  12.485  -3.963
  181   HG12  VAL  25          HG12      VAL  25  10.281  13.940  -4.965
  182   HG13  VAL  25          HG13      VAL  25   8.649  13.292  -4.688
  183   HG21  VAL  25          HG21      VAL  25  11.426  11.166  -7.143
  184   HG22  VAL  25          HG22      VAL  25  11.895  12.709  -6.407
  185   HG23  VAL  25          HG23      VAL  25  11.675  11.275  -5.386
  186    H    VAL  26           H        VAL  26  10.762   9.143  -5.556
  187    HA   VAL  26           HA       VAL  26  10.187   8.884  -2.657
  188    HB   VAL  26           HB       VAL  26  10.251   6.529  -2.713
  189   HG11  VAL  26          HG11      VAL  26   8.647   7.375  -5.169
  190   HG12  VAL  26          HG12      VAL  26   8.382   5.927  -4.181
  191   HG13  VAL  26          HG13      VAL  26   8.092   7.534  -3.484
  192   HG21  VAL  26          HG21      VAL  26  10.714   5.215  -4.746
  193   HG22  VAL  26          HG22      VAL  26  11.005   6.726  -5.653
  194   HG23  VAL  26          HG23      VAL  26  12.092   6.241  -4.330
  195    H    ARG  27           H        ARG  27  12.028   7.560  -1.562
  196    HA   ARG  27           HA       ARG  27  14.644   8.284  -2.777
  197    HB2  ARG  27           HB2      ARG  27  14.048  10.132  -1.307
  198    HB3  ARG  27           HB3      ARG  27  13.684   9.007   0.012
  199    HG2  ARG  27           HG2      ARG  27  16.047   8.270   0.053
  200    HG3  ARG  27           HG3      ARG  27  16.416   9.367  -1.297
  201    HD2  ARG  27           HD2      ARG  27  17.071  10.413   0.811
  202    HD3  ARG  27           HD3      ARG  27  15.714  11.295   0.094
  203    HE   ARG  27           HE       ARG  27  14.366  10.675   1.888
  204   HH11  ARG  27          HH11      ARG  27  17.326   8.740   1.905
  205   HH12  ARG  27          HH12      ARG  27  17.017   8.074   3.496
  206   HH21  ARG  27          HH21      ARG  27  13.991   9.789   3.957
  207   HH22  ARG  27          HH22      ARG  27  15.131   8.658   4.645
  208    H    CYS  28           H        CYS  28  16.309   6.928  -2.333
  209    HA   CYS  28           HA       CYS  28  15.644   4.285  -1.319
  210    HB2  CYS  28           HB2      CYS  28  17.100   4.774  -3.303
  211    HB3  CYS  28           HB3      CYS  28  18.311   5.464  -2.205
  212    H    ALA  29           H        ALA  29  16.139   3.429   0.639
  213    HA   ALA  29           HA       ALA  29  17.274   5.159   2.707
  214    HB1  ALA  29           HB1      ALA  29  15.383   3.632   3.171
  215    HB2  ALA  29           HB2      ALA  29  16.414   2.240   2.751
  216    HB3  ALA  29           HB3      ALA  29  16.800   3.237   4.171
  217    H    SER  30           H        SER  30  18.577   3.121   0.290
  218    HA   SER  30           HA       SER  30  20.815   2.259   2.039
  219    HB2  SER  30           HB2      SER  30  19.703   1.170  -0.565
  220    HB3  SER  30           HB3      SER  30  21.220   0.610   0.166
  221    HG   SER  30           HG       SER  30  18.640   0.562   1.346
  222    H    CYS  31           H        CYS  31  20.107   4.427  -0.628
  223    HA   CYS  31           HA       CYS  31  22.955   5.126  -0.622
  224    HB2  CYS  31           HB2      CYS  31  23.294   4.929  -2.988
  225    HB3  CYS  31           HB3      CYS  31  22.669   3.372  -2.398
  226    H    GLY  32           H        GLY  32  19.704   6.089  -0.691
  227    HA2  GLY  32           HA2      GLY  32  18.961   8.246  -0.361
  228    HA3  GLY  32           HA3      GLY  32  20.587   8.864  -0.705
  229    H    ASN  33           H        ASN  33  19.786   6.790  -3.223
  230    HA   ASN  33           HA       ASN  33  19.515   8.844  -5.153
  231    HB2  ASN  33           HB2      ASN  33  20.333   6.489  -5.502
  232    HB3  ASN  33           HB3      ASN  33  18.659   5.931  -5.335
  233   HD21  ASN  33          HD22      ASN  33  18.603   5.103  -7.459
  234   HD22  ASN  33          HD21      ASN  33  18.523   6.155  -8.858
  235    H    ARG  34           H        ARG  34  17.651   9.396  -6.482
  236    HA   ARG  34           HA       ARG  34  15.018   8.810  -5.208
  237    HB2  ARG  34           HB2      ARG  34  15.951  11.537  -6.167
  238    HB3  ARG  34           HB3      ARG  34  14.364  11.140  -5.476
  239    HG2  ARG  34           HG2      ARG  34  15.484  10.489  -3.342
  240    HG3  ARG  34           HG3      ARG  34  17.052  10.951  -4.046
  241    HD2  ARG  34           HD2      ARG  34  16.170  13.255  -4.425
  242    HD3  ARG  34           HD3      ARG  34  14.659  12.782  -3.628
  243    HE   ARG  34           HE       ARG  34  17.251  12.519  -2.175
  244   HH11  ARG  34          HH11      ARG  34  14.072  14.035  -2.505
  245   HH12  ARG  34          HH12      ARG  34  14.137  14.789  -0.929
  246   HH21  ARG  34          HH21      ARG  34  17.314  13.520  -0.124
  247   HH22  ARG  34          HH22      ARG  34  15.972  14.498   0.416
  248    H    TRP  35           H        TRP  35  13.263   8.722  -6.588
  249    HA   TRP  35           HA       TRP  35  13.489   9.482  -9.384
  250    HB2  TRP  35           HB2      TRP  35  13.127   7.261 -10.307
  251    HB3  TRP  35           HB3      TRP  35  14.650   7.304  -9.418
  252    HD1  TRP  35           HD1      TRP  35  11.218   5.706  -9.409
  253    HE1  TRP  35           HE1      TRP  35  11.104   3.818  -7.702
  254    HE3  TRP  35           HE3      TRP  35  15.701   6.474  -7.065
  255    HZ2  TRP  35           HZ2      TRP  35  12.724   2.796  -5.534
  256    HZ3  TRP  35           HZ3      TRP  35  16.380   5.032  -5.180
  257    HH2  TRP  35           HH2      TRP  35  14.903   3.194  -4.402
  258    H    THR  36           H        THR  36  11.395   9.195 -10.507
  259    HA   THR  36           HA       THR  36   9.209   9.608  -8.676
  260    HB   THR  36           HB       THR  36   8.814   9.286 -11.632
  261    HG1  THR  36           HG1      THR  36   9.479  11.444 -11.823
  262   HG21  THR  36          HG21      THR  36   7.179  11.093 -11.210
  263   HG22  THR  36          HG22      THR  36   6.864   9.697 -10.165
  264   HG23  THR  36          HG23      THR  36   7.664  11.140  -9.497
  265    H    ALA  37           H        ALA  37   7.534   8.351  -8.095
  266    HA   ALA  37           HA       ALA  37   7.477   5.564  -9.158
  267    HB1  ALA  37           HB1      ALA  37   6.629   6.636  -6.440
  268    HB2  ALA  37           HB2      ALA  37   6.572   4.938  -6.965
  269    HB3  ALA  37           HB3      ALA  37   8.142   5.751  -6.775
  270    H    PHE  38           H        PHE  38   5.274   4.569  -9.143
  271    HA   PHE  38           HA       PHE  38   3.038   6.428  -9.014
  272    HB2  PHE  38           HB2      PHE  38   2.222   5.586 -11.310
  273    HB3  PHE  38           HB3      PHE  38   3.409   6.889 -11.200
  274    HD1  PHE  38           HD1      PHE  38   2.909   3.339 -12.084
  275    HD2  PHE  38           HD2      PHE  38   5.699   6.605 -11.952
  276    HE1  PHE  38           HE1      PHE  38   4.465   2.074 -13.545
  277    HE2  PHE  38           HE2      PHE  38   7.243   5.352 -13.424
  278    HZ   PHE  38           HZ       PHE  38   6.634   3.078 -14.217
  279    H    LYS  39           H        LYS  39   1.027   5.572  -8.667
  280    HA   LYS  39           HA       LYS  39   1.082   2.877  -7.545
  281    HB2  LYS  39           HB2      LYS  39  -0.015   4.712  -6.371
  282    HB3  LYS  39           HB3      LYS  39  -1.110   4.983  -7.738
  283    HG2  LYS  39           HG2      LYS  39  -2.226   2.906  -7.410
  284    HG3  LYS  39           HG3      LYS  39  -0.949   2.295  -6.340
  285    HD2  LYS  39           HD2      LYS  39  -2.711   4.688  -5.664
  286    HD3  LYS  39           HD3      LYS  39  -3.044   3.025  -5.141
  287    HE2  LYS  39           HE2      LYS  39  -0.789   2.945  -4.068
  288    HE3  LYS  39           HE3      LYS  39  -0.545   4.642  -4.505
  289    HZ1  LYS  39           HZ1      LYS  39  -2.673   3.611  -2.749
  290    HZ2  LYS  39           HZ2      LYS  39  -1.341   4.453  -2.279
  291    HZ3  LYS  39           HZ3      LYS  39  -2.491   5.187  -3.197
  292    H    ASP  40           H        ASP  40  -0.380   1.188  -8.086
  293    HA   ASP  40           HA       ASP  40  -1.748   1.305 -10.681
  294    HB2  ASP  40           HB2      ASP  40   0.683   0.745 -11.137
  295    HB3  ASP  40           HB3      ASP  40   0.481  -0.707 -10.140
  296    H    GLU  41           H        GLU  41  -2.304   0.956  -7.727
  297    HA   GLU  41           HA       GLU  41  -2.910  -1.818  -7.229
  298    HB2  GLU  41           HB2      GLU  41  -3.783   0.797  -5.948
  299    HB3  GLU  41           HB3      GLU  41  -4.239  -0.795  -5.318
  300    HG2  GLU  41           HG2      GLU  41  -1.868  -1.391  -5.029
  301    HG3  GLU  41           HG3      GLU  41  -1.364   0.141  -5.763
  302    H    ALA  42           H        ALA  42  -4.521   0.652  -9.069
  303    HA   ALA  42           HA       ALA  42  -6.783  -1.113  -9.557
  304    HB1  ALA  42           HB1      ALA  42  -8.480   0.464  -8.747
  305    HB2  ALA  42           HB2      ALA  42  -7.398   0.001  -7.409
  306    HB3  ALA  42           HB3      ALA  42  -7.209   1.581  -8.199
  307    H    GLU  43           H        GLU  43  -8.255  -0.182 -11.215
  308    HA   GLU  43           HA       GLU  43  -7.286   2.138 -12.709
  309    HB2  GLU  43           HB2      GLU  43  -5.832   0.358 -13.564
  310    HB3  GLU  43           HB3      GLU  43  -7.223  -0.696 -13.826
  311    HG2  GLU  43           HG2      GLU  43  -6.523   0.233 -15.944
  312    HG3  GLU  43           HG3      GLU  43  -8.113   0.865 -15.529
  313    H    LEU  44           H        LEU  44  -8.838   2.887 -14.268
  314    HA   LEU  44           HA       LEU  44 -11.523   2.520 -13.411
  315    HB2  LEU  44           HB2      LEU  44 -10.642   4.597 -14.382
  316    HB3  LEU  44           HB3      LEU  44 -10.376   3.776 -15.932
  317    HG   LEU  44           HG       LEU  44 -12.843   3.371 -16.119
  318   HD11  LEU  44          HD11      LEU  44 -12.925   5.105 -13.609
  319   HD12  LEU  44          HD12      LEU  44 -14.339   4.636 -14.581
  320   HD13  LEU  44          HD13      LEU  44 -13.417   3.392 -13.711
  321   HD21  LEU  44          HD21      LEU  44 -11.791   5.356 -17.141
  322   HD22  LEU  44          HD22      LEU  44 -13.436   5.725 -16.575
  323   HD23  LEU  44          HD23      LEU  44 -12.029   6.267 -15.631
  324    H    GLU  45           H        GLU  45 -13.307   1.543 -14.447
  325    HA   GLU  45           HA       GLU  45 -12.687  -0.989 -15.660
  326    HB2  GLU  45           HB2      GLU  45 -15.111  -1.317 -15.620
  327    HB3  GLU  45           HB3      GLU  45 -14.546  -0.646 -14.078
  328    HG2  GLU  45           HG2      GLU  45 -15.222   1.629 -14.823
  329    HG3  GLU  45           HG3      GLU  45 -15.821   0.949 -16.345
  330    H    LEU  46           H        LEU  46 -12.498   1.939 -17.104
  331    HA   LEU  46           HA       LEU  46 -14.084   1.594 -19.470
  332    HB2  LEU  46           HB2      LEU  46 -13.330   3.787 -18.667
  333    HB3  LEU  46           HB3      LEU  46 -11.640   3.297 -18.834
  334    HG   LEU  46           HG       LEU  46 -11.934   3.098 -21.296
  335   HD11  LEU  46          HD11      LEU  46 -14.731   4.179 -20.717
  336   HD12  LEU  46          HD12      LEU  46 -14.000   4.017 -22.329
  337   HD13  LEU  46          HD13      LEU  46 -14.351   2.566 -21.370
  338   HD21  LEU  46          HD21      LEU  46 -12.173   5.521 -21.741
  339   HD22  LEU  46          HD22      LEU  46 -12.863   5.747 -20.115
  340   HD23  LEU  46          HD23      LEU  46 -11.174   5.224 -20.301
  341    H    VAL  47           H        VAL  47 -11.033   0.271 -18.404
  342    HA   VAL  47           HA       VAL  47  -9.901  -0.197 -20.998
  343    HB   VAL  47           HB       VAL  47  -8.301  -1.599 -19.838
  344   HG11  VAL  47          HG11      VAL  47  -7.474   0.004 -18.186
  345   HG12  VAL  47          HG12      VAL  47  -8.120   0.875 -19.592
  346   HG13  VAL  47          HG13      VAL  47  -9.072   0.778 -18.091
  347   HG21  VAL  47          HG21      VAL  47  -9.839  -2.855 -18.385
  348   HG22  VAL  47          HG22      VAL  47  -8.539  -2.110 -17.434
  349   HG23  VAL  47          HG23      VAL  47 -10.162  -1.383 -17.436
  350    HA   PRO  48           HA       PRO  48 -12.183  -3.764 -22.237
  351    HB2  PRO  48           HB2      PRO  48 -10.421  -4.952 -23.961
  352    HB3  PRO  48           HB3      PRO  48 -11.221  -3.389 -24.323
  353    HG2  PRO  48           HG2      PRO  48  -8.437  -3.864 -23.223
  354    HG3  PRO  48           HG3      PRO  48  -8.948  -2.740 -24.531
  355    HD2  PRO  48           HD2      PRO  48  -8.553  -1.941 -21.926
  356    HD3  PRO  48           HD3      PRO  48  -9.765  -1.177 -22.994
  357    H    ARG  49           H        ARG  49  -9.388  -3.940 -20.287
  358    HA   ARG  49           HA       ARG  49  -8.876  -6.755 -20.291
  359    HB2  ARG  49           HB2      ARG  49  -8.382  -4.658 -18.140
  360    HB3  ARG  49           HB3      ARG  49  -7.669  -6.278 -18.184
  361    HG2  ARG  49           HG2      ARG  49  -6.595  -5.745 -20.362
  362    HG3  ARG  49           HG3      ARG  49  -7.281  -4.106 -20.298
  363    HD2  ARG  49           HD2      ARG  49  -6.076  -3.680 -18.181
  364    HD3  ARG  49           HD3      ARG  49  -5.389  -5.314 -18.234
  365    HE   ARG  49           HE       ARG  49  -4.645  -3.000 -19.917
  366   HH11  ARG  49          HH11      ARG  49  -4.322  -6.464 -19.272
  367   HH12  ARG  49          HH12      ARG  49  -2.847  -6.617 -20.201
  368   HH21  ARG  49          HH21      ARG  49  -2.706  -3.231 -21.101
  369   HH22  ARG  49          HH22      ARG  49  -1.932  -4.793 -21.219
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   2.292  -0.955  -0.922
    2    H2   MET   1           H2       MET   1   3.612   0.015  -0.747
    3    H3   MET   1           H3       MET   1   3.560  -1.436   0.016
    4    HA   MET   1           HA       MET   1   3.623  -2.636  -2.008
    5    HB2  MET   1           HB2      MET   1   3.933  -1.440  -4.138
    6    HB3  MET   1           HB3      MET   1   2.379  -1.036  -3.380
    7    HG2  MET   1           HG2      MET   1   3.356   1.064  -2.512
    8    HG3  MET   1           HG3      MET   1   4.911   0.654  -3.249
    9    HE1  MET   1           HE1      MET   1   4.948   3.040  -4.367
   10    HE2  MET   1           HE2      MET   1   3.633   3.685  -5.381
   11    HE3  MET   1           HE3      MET   1   3.356   3.407  -3.647
   12    H    ILE   2           H        ILE   2   5.685  -2.389  -3.706
   13    HA   ILE   2           HA       ILE   2   7.966  -1.447  -2.047
   14    HB   ILE   2           HB       ILE   2   7.325  -3.975  -1.867
   15   HG12  ILE   2          HG12      ILE   2  10.201  -3.387  -2.606
   16   HG13  ILE   2          HG13      ILE   2   9.437  -2.713  -1.148
   17   HG21  ILE   2          HG21      ILE   2   8.919  -4.024  -4.466
   18   HG22  ILE   2          HG22      ILE   2   8.325  -5.427  -3.557
   19   HG23  ILE   2          HG23      ILE   2   7.167  -4.336  -4.349
   20   HD11  ILE   2          HD11      ILE   2   9.604  -5.683  -1.791
   21   HD12  ILE   2          HD12      ILE   2  10.605  -4.808  -0.607
   22   HD13  ILE   2          HD13      ILE   2   8.854  -4.957  -0.353
   23    H    LEU   3           H        LEU   3   9.867  -0.950  -3.220
   24    HA   LEU   3           HA       LEU   3   9.524  -0.661  -6.168
   25    HB2  LEU   3           HB2      LEU   3  10.454   1.441  -4.181
   26    HB3  LEU   3           HB3      LEU   3  10.504   1.616  -5.945
   27    HG   LEU   3           HG       LEU   3   7.910   1.072  -4.424
   28   HD11  LEU   3          HD11      LEU   3   9.120   3.725  -5.286
   29   HD12  LEU   3          HD12      LEU   3   7.490   3.482  -4.608
   30   HD13  LEU   3          HD13      LEU   3   8.926   3.158  -3.609
   31   HD21  LEU   3          HD21      LEU   3   6.910   2.015  -6.486
   32   HD22  LEU   3          HD22      LEU   3   8.535   2.232  -7.178
   33   HD23  LEU   3          HD23      LEU   3   7.912   0.594  -6.868
   34    H    THR   4           H        THR   4  11.474  -0.690  -7.368
   35    HA   THR   4           HA       THR   4  13.763  -1.762  -5.844
   36    HB   THR   4           HB       THR   4  13.577  -1.866  -8.831
   37    HG1  THR   4           HG1      THR   4  12.458  -3.808  -8.582
   38   HG21  THR   4          HG21      THR   4  14.880  -3.928  -8.480
   39   HG22  THR   4          HG22      THR   4  15.677  -2.550  -7.699
   40   HG23  THR   4          HG23      THR   4  14.753  -3.718  -6.715
   41    H    CYS   5           H        CYS   5  15.767  -0.878  -5.786
   42    HA   CYS   5           HA       CYS   5  15.967   1.909  -6.545
   43    HB2  CYS   5           HB2      CYS   5  16.970   1.044  -4.480
   44    HB3  CYS   5           HB3      CYS   5  18.026  -0.029  -5.433
   45    HA   PRO   6           HA       PRO   6  17.673   1.137 -10.620
   46    HB2  PRO   6           HB2      PRO   6  18.756   3.901 -10.332
   47    HB3  PRO   6           HB3      PRO   6  17.703   3.232 -11.617
   48    HG2  PRO   6           HG2      PRO   6  16.748   4.944  -9.700
   49    HG3  PRO   6           HG3      PRO   6  15.762   3.576 -10.331
   50    HD2  PRO   6           HD2      PRO   6  17.302   3.737  -7.750
   51    HD3  PRO   6           HD3      PRO   6  15.685   3.038  -8.084
   52    H    GLU   7           H        GLU   7  19.416   2.027  -7.733
   53    HA   GLU   7           HA       GLU   7  22.038   1.577  -9.106
   54    HB2  GLU   7           HB2      GLU   7  21.403   3.096  -6.552
   55    HB3  GLU   7           HB3      GLU   7  23.011   2.883  -7.259
   56    HG2  GLU   7           HG2      GLU   7  20.669   4.238  -8.646
   57    HG3  GLU   7           HG3      GLU   7  21.954   5.094  -7.789
   58    H    CYS   8           H        CYS   8  20.161   0.835  -6.105
   59    HA   CYS   8           HA       CYS   8  22.243  -1.024  -5.218
   60    HB2  CYS   8           HB2      CYS   8  19.417  -0.558  -4.165
   61    HB3  CYS   8           HB3      CYS   8  20.675  -1.534  -3.388
   62    H    ALA   9           H        ALA   9  19.563  -1.124  -7.368
   63    HA   ALA   9           HA       ALA   9  18.426  -2.790  -8.415
   64    HB1  ALA   9           HB1      ALA   9  20.994  -4.347  -7.918
   65    HB2  ALA   9           HB2      ALA   9  19.747  -4.733  -9.126
   66    HB3  ALA   9           HB3      ALA   9  20.699  -3.243  -9.277
   67    H    SER  10           H        SER  10  17.926  -2.470  -5.634
   68    HA   SER  10           HA       SER  10  17.141  -5.229  -4.861
   69    HB2  SER  10           HB2      SER  10  19.260  -4.566  -3.725
   70    HB3  SER  10           HB3      SER  10  18.423  -3.168  -3.029
   71    HG   SER  10           HG       SER  10  18.403  -4.963  -1.611
   72    H    ARG  11           H        ARG  11  15.385  -5.233  -3.250
   73    HA   ARG  11           HA       ARG  11  13.423  -3.189  -4.010
   74    HB2  ARG  11           HB2      ARG  11  13.210  -5.767  -2.421
   75    HB3  ARG  11           HB3      ARG  11  11.844  -4.705  -2.812
   76    HG2  ARG  11           HG2      ARG  11  12.377  -4.944  -5.242
   77    HG3  ARG  11           HG3      ARG  11  13.651  -6.112  -4.820
   78    HD2  ARG  11           HD2      ARG  11  11.953  -7.554  -3.726
   79    HD3  ARG  11           HD3      ARG  11  10.695  -6.374  -4.138
   80    HE   ARG  11           HE       ARG  11  10.797  -7.024  -6.391
   81   HH11  ARG  11          HH11      ARG  11  13.228  -8.720  -4.458
   82   HH12  ARG  11          HH12      ARG  11  13.545  -9.919  -5.693
   83   HH21  ARG  11          HH21      ARG  11  11.219  -8.612  -7.977
   84   HH22  ARG  11          HH22      ARG  11  12.409  -9.857  -7.684
   85    H    TYR  12           H        TYR  12  12.193  -1.958  -2.604
   86    HA   TYR  12           HA       TYR  12  12.764  -1.969   0.245
   87    HB2  TYR  12           HB2      TYR  12  14.529  -0.536  -0.322
   88    HB3  TYR  12           HB3      TYR  12  13.573   0.328  -1.520
   89    HD1  TYR  12           HD1      TYR  12  14.253  -0.049   2.071
   90    HD2  TYR  12           HD2      TYR  12  11.963   2.043  -0.900
   91    HE1  TYR  12           HE1      TYR  12  13.646   1.679   3.760
   92    HE2  TYR  12           HE2      TYR  12  11.376   3.791   0.770
   93    HH   TYR  12           HH       TYR  12  11.584   4.493   2.931
   94    H    PHE  13           H        PHE  13  11.062  -1.326   1.493
   95    HA   PHE  13           HA       PHE  13   8.629  -1.027  -0.114
   96    HB2  PHE  13           HB2      PHE  13   7.499  -1.709   2.080
   97    HB3  PHE  13           HB3      PHE  13   8.402  -2.896   1.142
   98    HD1  PHE  13           HD2      PHE  13   8.496  -0.784   4.194
   99    HD2  PHE  13           HD1      PHE  13  10.377  -3.948   1.977
  100    HE1  PHE  13           HE2      PHE  13   9.901  -1.328   6.163
  101    HE2  PHE  13           HE1      PHE  13  11.791  -4.486   3.941
  102    HZ   PHE  13           HZ       PHE  13  11.546  -3.185   6.041
  103    H    VAL  14           H        VAL  14   6.878   0.258   0.290
  104    HA   VAL  14           HA       VAL  14   7.263   2.551   2.105
  105    HB   VAL  14           HB       VAL  14   6.704   4.158   0.386
  106   HG11  VAL  14          HG11      VAL  14   9.104   3.558   0.710
  107   HG12  VAL  14          HG12      VAL  14   8.970   2.373  -0.609
  108   HG13  VAL  14          HG13      VAL  14   8.750   4.100  -0.949
  109   HG21  VAL  14          HG21      VAL  14   6.586   3.506  -2.009
  110   HG22  VAL  14          HG22      VAL  14   6.707   1.794  -1.538
  111   HG23  VAL  14          HG23      VAL  14   5.289   2.760  -1.060
  112    H    ASP  15           H        ASP  15   5.249   3.643   2.623
  113    HA   ASP  15           HA       ASP  15   3.007   1.868   2.742
  114    HB2  ASP  15           HB2      ASP  15   3.288   4.826   3.352
  115    HB3  ASP  15           HB3      ASP  15   1.842   3.867   3.693
  116    H    ASP  16           H        ASP  16   0.900   2.117   1.810
  117    HA   ASP  16           HA       ASP  16   1.014   2.825  -0.978
  118    HB2  ASP  16           HB2      ASP  16  -1.303   2.074   0.837
  119    HB3  ASP  16           HB3      ASP  16  -1.435   2.287  -0.914
  120    H    SER  17           H        SER  17   0.520   4.726   1.817
  121    HA   SER  17           HA       SER  17  -1.131   6.739   0.432
  122    HB2  SER  17           HB2      SER  17   0.148   6.668   3.193
  123    HB3  SER  17           HB3      SER  17  -0.937   7.944   2.599
  124    HG   SER  17           HG       SER  17  -2.576   6.442   2.432
  125    H    LYS  18           H        LYS  18   2.184   5.908   0.584
  126    HA   LYS  18           HA       LYS  18   3.261   8.592   0.630
  127    HB2  LYS  18           HB2      LYS  18   4.518   6.659   1.463
  128    HB3  LYS  18           HB3      LYS  18   4.413   5.873  -0.121
  129    HG2  LYS  18           HG2      LYS  18   6.620   6.847   0.215
  130    HG3  LYS  18           HG3      LYS  18   5.780   7.636  -1.128
  131    HD2  LYS  18           HD2      LYS  18   5.124   9.496   0.465
  132    HD3  LYS  18           HD3      LYS  18   6.096   8.693   1.720
  133    HE2  LYS  18           HE2      LYS  18   7.419  10.458   0.679
  134    HE3  LYS  18           HE3      LYS  18   8.095   8.880   0.241
  135    HZ1  LYS  18           HZ1      LYS  18   6.912   9.035  -1.849
  136    HZ2  LYS  18           HZ2      LYS  18   6.314  10.512  -1.438
  137    HZ3  LYS  18           HZ3      LYS  18   7.932  10.314  -1.666
  138    H    VAL  19           H        VAL  19   1.685   6.688  -1.759
  139    HA   VAL  19           HA       VAL  19   2.646   8.507  -3.888
  140    HB   VAL  19           HB       VAL  19   2.507   5.496  -4.244
  141   HG11  VAL  19          HG11      VAL  19   3.742   6.018  -6.341
  142   HG12  VAL  19          HG12      VAL  19   2.133   6.763  -6.310
  143   HG13  VAL  19          HG13      VAL  19   3.578   7.756  -5.984
  144   HG21  VAL  19          HG21      VAL  19   4.922   7.299  -3.808
  145   HG22  VAL  19          HG22      VAL  19   4.373   5.977  -2.751
  146   HG23  VAL  19          HG23      VAL  19   5.002   5.614  -4.369
  147    H    GLY  20           H        GLY  20   1.197   8.798  -5.629
  148    HA2  GLY  20           HA2      GLY  20  -1.542   7.675  -5.199
  149    HA3  GLY  20           HA3      GLY  20  -1.270   9.389  -5.558
  150    HA   PRO  21           HA       PRO  21  -1.855   6.919  -9.499
  151    HB2  PRO  21           HB2      PRO  21  -4.029   8.321 -10.450
  152    HB3  PRO  21           HB3      PRO  21  -4.160   6.915  -9.350
  153    HG2  PRO  21           HG2      PRO  21  -4.273   9.859  -8.678
  154    HG3  PRO  21           HG3      PRO  21  -5.307   8.529  -8.056
  155    HD2  PRO  21           HD2      PRO  21  -3.159   9.550  -6.670
  156    HD3  PRO  21           HD3      PRO  21  -3.656   7.839  -6.531
  157    H    ASP  22           H        ASP  22  -1.483  10.259  -8.528
  158    HA   ASP  22           HA       ASP  22  -0.748  11.159 -11.213
  159    HB2  ASP  22           HB2      ASP  22  -0.237  13.313  -9.993
  160    HB3  ASP  22           HB3      ASP  22  -1.919  12.768  -9.978
  161    H    GLY  23           H        GLY  23   0.788   9.340  -8.887
  162    HA2  GLY  23           HA2      GLY  23   2.958   8.580  -8.863
  163    HA3  GLY  23           HA3      GLY  23   3.391   9.755 -10.122
  164    H    ARG  24           H        ARG  24   4.894   9.074  -7.697
  165    HA   ARG  24           HA       ARG  24   5.212  11.778  -6.598
  166    HB2  ARG  24           HB2      ARG  24   3.458  10.400  -5.210
  167    HB3  ARG  24           HB3      ARG  24   4.863   9.446  -4.694
  168    HG2  ARG  24           HG2      ARG  24   4.694  11.108  -3.020
  169    HG3  ARG  24           HG3      ARG  24   5.921  11.777  -4.113
  170    HD2  ARG  24           HD2      ARG  24   4.455  13.585  -3.722
  171    HD3  ARG  24           HD3      ARG  24   3.920  12.966  -5.292
  172    HE   ARG  24           HE       ARG  24   2.562  12.570  -2.657
  173   HH11  ARG  24          HH11      ARG  24   2.455  12.392  -6.200
  174   HH12  ARG  24          HH12      ARG  24   0.732  12.115  -6.235
  175   HH21  ARG  24          HH21      ARG  24   0.323  12.196  -2.761
  176   HH22  ARG  24          HH22      ARG  24  -0.462  12.018  -4.316
  177    H    VAL  25           H        VAL  25   7.348  12.115  -5.856
  178    HA   VAL  25           HA       VAL  25   9.286  10.165  -6.766
  179    HB   VAL  25           HB       VAL  25   9.595  12.621  -6.958
  180   HG11  VAL  25          HG11      VAL  25   8.632  13.242  -4.754
  181   HG12  VAL  25          HG12      VAL  25  10.023  12.478  -3.945
  182   HG13  VAL  25          HG13      VAL  25  10.269  13.903  -4.983
  183   HG21  VAL  25          HG21      VAL  25  11.951  12.647  -6.320
  184   HG22  VAL  25          HG22      VAL  25  11.715  11.247  -5.254
  185   HG23  VAL  25          HG23      VAL  25  11.532  11.069  -7.017
  186    H    VAL  26           H        VAL  26  10.817   9.022  -5.570
  187    HA   VAL  26           HA       VAL  26  10.324   8.822  -2.651
  188    HB   VAL  26           HB       VAL  26  10.384   6.459  -2.666
  189   HG11  VAL  26          HG11      VAL  26   8.743   7.264  -5.108
  190   HG12  VAL  26          HG12      VAL  26   8.502   5.829  -4.096
  191   HG13  VAL  26          HG13      VAL  26   8.222   7.449  -3.414
  192   HG21  VAL  26          HG21      VAL  26  11.096   6.615  -5.626
  193   HG22  VAL  26          HG22      VAL  26  12.196   6.140  -4.312
  194   HG23  VAL  26          HG23      VAL  26  10.797   5.121  -4.714
  195    H    ARG  27           H        ARG  27  12.225   7.428  -1.623
  196    HA   ARG  27           HA       ARG  27  14.784   8.134  -2.933
  197    HB2  ARG  27           HB2      ARG  27  15.638   9.147  -0.878
  198    HB3  ARG  27           HB3      ARG  27  14.225  10.028  -1.479
  199    HG2  ARG  27           HG2      ARG  27  12.789   8.866   0.177
  200    HG3  ARG  27           HG3      ARG  27  14.199   7.947   0.760
  201    HD2  ARG  27           HD2      ARG  27  15.331  10.085   1.336
  202    HD3  ARG  27           HD3      ARG  27  13.893  10.976   0.808
  203    HE   ARG  27           HE       ARG  27  12.778  10.360   2.753
  204   HH11  ARG  27          HH11      ARG  27  15.801   8.526   2.465
  205   HH12  ARG  27          HH12      ARG  27  15.724   7.929   4.105
  206   HH21  ARG  27          HH21      ARG  27  12.717   9.553   4.887
  207   HH22  ARG  27          HH22      ARG  27  13.989   8.498   5.468
  208    H    CYS  28           H        CYS  28  16.546   6.902  -2.314
  209    HA   CYS  28           HA       CYS  28  15.917   4.231  -1.382
  210    HB2  CYS  28           HB2      CYS  28  17.552   4.934  -3.221
  211    HB3  CYS  28           HB3      CYS  28  18.649   5.446  -1.933
  212    H    ALA  29           H        ALA  29  16.858   3.181   0.451
  213    HA   ALA  29           HA       ALA  29  17.088   4.926   2.779
  214    HB1  ALA  29           HB1      ALA  29  15.830   2.814   2.858
  215    HB2  ALA  29           HB2      ALA  29  17.321   1.909   2.465
  216    HB3  ALA  29           HB3      ALA  29  17.194   2.793   4.001
  217    H    SER  30           H        SER  30  19.303   3.359   0.544
  218    HA   SER  30           HA       SER  30  21.486   3.626   2.557
  219    HB2  SER  30           HB2      SER  30  22.634   1.859   1.251
  220    HB3  SER  30           HB3      SER  30  21.091   1.317   1.947
  221    HG   SER  30           HG       SER  30  21.357   0.734  -0.270
  222    H    CYS  31           H        CYS  31  20.996   3.799  -1.052
  223    HA   CYS  31           HA       CYS  31  23.558   5.219  -1.190
  224    HB2  CYS  31           HB2      CYS  31  23.511   4.822  -3.514
  225    HB3  CYS  31           HB3      CYS  31  22.889   3.345  -2.741
  226    H    GLY  32           H        GLY  32  20.269   6.094  -0.905
  227    HA2  GLY  32           HA2      GLY  32  19.433   8.225  -0.566
  228    HA3  GLY  32           HA3      GLY  32  21.025   8.899  -0.983
  229    H    ASN  33           H        ASN  33  20.100   6.760  -3.422
  230    HA   ASN  33           HA       ASN  33  19.687   8.791  -5.367
  231    HB2  ASN  33           HB2      ASN  33  20.536   6.456  -5.755
  232    HB3  ASN  33           HB3      ASN  33  18.900   5.853  -5.457
  233   HD21  ASN  33          HD22      ASN  33  18.583   5.021  -7.540
  234   HD22  ASN  33          HD21      ASN  33  18.419   6.049  -8.947
  235    H    ARG  34           H        ARG  34  17.750   9.296  -6.570
  236    HA   ARG  34           HA       ARG  34  15.189   8.593  -5.225
  237    HB2  ARG  34           HB2      ARG  34  15.985  11.398  -6.095
  238    HB3  ARG  34           HB3      ARG  34  14.442  10.909  -5.364
  239    HG2  ARG  34           HG2      ARG  34  15.756  10.133  -3.332
  240    HG3  ARG  34           HG3      ARG  34  17.198  10.865  -4.070
  241    HD2  ARG  34           HD2      ARG  34  16.257  12.471  -2.538
  242    HD3  ARG  34           HD3      ARG  34  15.953  13.051  -4.190
  243    HE   ARG  34           HE       ARG  34  13.649  11.842  -3.817
  244   HH11  ARG  34          HH11      ARG  34  15.488  13.671  -1.421
  245   HH12  ARG  34          HH12      ARG  34  14.073  14.138  -0.505
  246   HH21  ARG  34          HH21      ARG  34  11.812  12.447  -2.600
  247   HH22  ARG  34          HH22      ARG  34  11.990  13.449  -1.179
  248    H    TRP  35           H        TRP  35  13.376   8.567  -6.558
  249    HA   TRP  35           HA       TRP  35  13.559   9.296  -9.372
  250    HB2  TRP  35           HB2      TRP  35  13.232   7.064 -10.252
  251    HB3  TRP  35           HB3      TRP  35  14.728   7.107  -9.333
  252    HD1  TRP  35           HD1      TRP  35  11.333   5.493  -9.455
  253    HE1  TRP  35           HE1      TRP  35  11.120   3.656  -7.705
  254    HE3  TRP  35           HE3      TRP  35  15.635   6.380  -6.831
  255    HZ2  TRP  35           HZ2      TRP  35  12.596   2.709  -5.405
  256    HZ3  TRP  35           HZ3      TRP  35  16.178   5.010  -4.844
  257    HH2  TRP  35           HH2      TRP  35  14.676   3.173  -4.132
  258    H    THR  36           H        THR  36  11.436   9.003 -10.447
  259    HA   THR  36           HA       THR  36   9.294   9.417  -8.566
  260    HB   THR  36           HB       THR  36   8.816   9.077 -11.501
  261    HG1  THR  36           HG1      THR  36   9.483  11.227 -11.741
  262   HG21  THR  36          HG21      THR  36   7.738  10.927  -9.324
  263   HG22  THR  36          HG22      THR  36   7.228  10.944 -11.028
  264   HG23  THR  36          HG23      THR  36   6.903   9.518 -10.018
  265    H    ALA  37           H        ALA  37   7.560   8.188  -8.028
  266    HA   ALA  37           HA       ALA  37   7.461   5.416  -9.127
  267    HB1  ALA  37           HB1      ALA  37   6.711   4.698  -6.898
  268    HB2  ALA  37           HB2      ALA  37   8.317   5.459  -6.813
  269    HB3  ALA  37           HB3      ALA  37   6.872   6.364  -6.297
  270    H    PHE  38           H        PHE  38   5.224   4.453  -8.944
  271    HA   PHE  38           HA       PHE  38   3.072   6.400  -8.710
  272    HB2  PHE  38           HB2      PHE  38   2.131   5.629 -10.966
  273    HB3  PHE  38           HB3      PHE  38   3.386   6.867 -10.903
  274    HD1  PHE  38           HD1      PHE  38   2.659   3.361 -11.803
  275    HD2  PHE  38           HD2      PHE  38   5.651   6.453 -11.715
  276    HE1  PHE  38           HE1      PHE  38   4.084   2.026 -13.328
  277    HE2  PHE  38           HE2      PHE  38   7.077   5.114 -13.236
  278    HZ   PHE  38           HZ       PHE  38   6.293   2.908 -14.054
  279    H    LYS  39           H        LYS  39   1.022   5.641  -8.372
  280    HA   LYS  39           HA       LYS  39   0.919   3.016  -7.163
  281    HB2  LYS  39           HB2      LYS  39  -0.250   4.907  -6.189
  282    HB3  LYS  39           HB3      LYS  39  -1.186   5.154  -7.676
  283    HG2  LYS  39           HG2      LYS  39  -2.415   3.133  -7.380
  284    HG3  LYS  39           HG3      LYS  39  -1.293   2.534  -6.141
  285    HD2  LYS  39           HD2      LYS  39  -3.008   5.027  -5.805
  286    HD3  LYS  39           HD3      LYS  39  -3.476   3.409  -5.234
  287    HE2  LYS  39           HE2      LYS  39  -1.401   3.285  -3.884
  288    HE3  LYS  39           HE3      LYS  39  -0.960   4.918  -4.411
  289    HZ1  LYS  39           HZ1      LYS  39  -2.962   5.730  -3.375
  290    HZ2  LYS  39           HZ2      LYS  39  -3.361   4.211  -2.869
  291    HZ3  LYS  39           HZ3      LYS  39  -2.016   4.946  -2.282
  292    H    ASP  40           H        ASP  40  -0.602   1.331  -7.736
  293    HA   ASP  40           HA       ASP  40  -1.305   1.297 -10.636
  294    HB2  ASP  40           HB2      ASP  40   0.821   0.087 -10.203
  295    HB3  ASP  40           HB3      ASP  40  -0.008  -0.937  -9.029
  296    H    GLU  41           H        GLU  41  -2.267   0.916  -7.358
  297    HA   GLU  41           HA       GLU  41  -4.351  -1.031  -7.731
  298    HB2  GLU  41           HB2      GLU  41  -3.320  -0.527  -5.558
  299    HB3  GLU  41           HB3      GLU  41  -3.900   1.150  -5.655
  300    HG2  GLU  41           HG2      GLU  41  -6.214   0.403  -5.596
  301    HG3  GLU  41           HG3      GLU  41  -5.699  -1.297  -5.668
  302    H    ALA  42           H        ALA  42  -3.943   2.317  -8.560
  303    HA   ALA  42           HA       ALA  42  -6.653   2.490  -9.618
  304    HB1  ALA  42           HB1      ALA  42  -6.993   3.135  -7.251
  305    HB2  ALA  42           HB2      ALA  42  -5.706   4.354  -7.402
  306    HB3  ALA  42           HB3      ALA  42  -7.215   4.524  -8.336
  307    H    GLU  43           H        GLU  43  -6.933   4.568 -10.824
  308    HA   GLU  43           HA       GLU  43  -4.453   6.016 -11.485
  309    HB2  GLU  43           HB2      GLU  43  -4.379   4.041 -12.935
  310    HB3  GLU  43           HB3      GLU  43  -6.018   4.383 -13.524
  311    HG2  GLU  43           HG2      GLU  43  -5.270   6.472 -14.542
  312    HG3  GLU  43           HG3      GLU  43  -3.653   6.275 -13.836
  313    H    LEU  44           H        LEU  44  -7.907   5.682 -11.344
  314    HA   LEU  44           HA       LEU  44  -8.240   8.546 -12.060
  315    HB2  LEU  44           HB2      LEU  44  -9.879   6.214 -13.133
  316    HB3  LEU  44           HB3      LEU  44 -10.336   7.916 -13.295
  317    HG   LEU  44           HG       LEU  44  -7.740   6.742 -14.391
  318   HD11  LEU  44          HD11      LEU  44 -10.368   7.382 -15.790
  319   HD12  LEU  44          HD12      LEU  44  -8.859   6.869 -16.584
  320   HD13  LEU  44          HD13      LEU  44  -9.711   5.755 -15.494
  321   HD21  LEU  44          HD21      LEU  44  -7.667   9.186 -13.964
  322   HD22  LEU  44          HD22      LEU  44  -7.705   8.848 -15.705
  323   HD23  LEU  44          HD23      LEU  44  -9.181   9.393 -14.873
  324    H    GLU  45           H        GLU  45 -10.403   9.352 -11.328
  325    HA   GLU  45           HA       GLU  45 -10.845   8.605  -8.585
  326    HB2  GLU  45           HB2      GLU  45 -12.453  10.365 -10.478
  327    HB3  GLU  45           HB3      GLU  45 -12.703  10.267  -8.731
  328    HG2  GLU  45           HG2      GLU  45 -10.110  11.130 -10.086
  329    HG3  GLU  45           HG3      GLU  45 -11.327  12.231  -9.421
  330    H    LEU  46           H        LEU  46 -12.922   7.945  -7.655
  331    HA   LEU  46           HA       LEU  46 -13.907   5.568  -8.899
  332    HB2  LEU  46           HB2      LEU  46 -13.766   5.844  -6.467
  333    HB3  LEU  46           HB3      LEU  46 -14.907   7.200  -6.534
  334    HG   LEU  46           HG       LEU  46 -16.668   5.650  -7.396
  335   HD11  LEU  46          HD11      LEU  46 -14.558   3.517  -6.840
  336   HD12  LEU  46          HD12      LEU  46 -16.267   3.206  -7.224
  337   HD13  LEU  46          HD13      LEU  46 -15.209   3.940  -8.443
  338   HD21  LEU  46          HD21      LEU  46 -16.435   6.134  -4.982
  339   HD22  LEU  46          HD22      LEU  46 -17.025   4.480  -5.267
  340   HD23  LEU  46          HD23      LEU  46 -15.326   4.750  -4.818
  341    H    VAL  47           H        VAL  47 -15.968   5.118  -9.786
  342    HA   VAL  47           HA       VAL  47 -17.008   7.198 -11.430
  343    HB   VAL  47           HB       VAL  47 -18.525   5.550 -12.278
  344   HG11  VAL  47          HG11      VAL  47 -15.974   4.115 -11.423
  345   HG12  VAL  47          HG12      VAL  47 -17.019   3.709 -12.805
  346   HG13  VAL  47          HG13      VAL  47 -16.104   5.232 -12.799
  347   HG21  VAL  47          HG21      VAL  47 -19.434   4.689 -10.169
  348   HG22  VAL  47          HG22      VAL  47 -18.841   3.357 -11.178
  349   HG23  VAL  47          HG23      VAL  47 -17.874   3.917  -9.793
  350    HA   PRO  48           HA       PRO  48 -20.089   9.024  -8.869
  351    HB2  PRO  48           HB2      PRO  48 -21.960   9.799 -10.731
  352    HB3  PRO  48           HB3      PRO  48 -20.373  10.612 -10.521
  353    HG2  PRO  48           HG2      PRO  48 -21.171   8.530 -12.567
  354    HG3  PRO  48           HG3      PRO  48 -20.224  10.035 -12.812
  355    HD2  PRO  48           HD2      PRO  48 -19.044   7.572 -12.533
  356    HD3  PRO  48           HD3      PRO  48 -18.274   9.068 -11.930
  357    H    ARG  49           H        ARG  49 -22.321   8.759  -8.130
  358    HA   ARG  49           HA       ARG  49 -23.145   5.989  -8.137
  359    HB2  ARG  49           HB2      ARG  49 -24.564   8.471  -7.080
  360    HB3  ARG  49           HB3      ARG  49 -24.951   6.792  -6.671
  361    HG2  ARG  49           HG2      ARG  49 -22.320   8.215  -6.060
  362    HG3  ARG  49           HG3      ARG  49 -23.609   7.847  -4.897
  363    HD2  ARG  49           HD2      ARG  49 -23.302   5.422  -5.340
  364    HD3  ARG  49           HD3      ARG  49 -21.990   5.799  -6.470
  365    HE   ARG  49           HE       ARG  49 -21.930   6.024  -3.521
  366   HH11  ARG  49          HH11      ARG  49 -20.300   6.521  -6.617
  367   HH12  ARG  49          HH12      ARG  49 -18.717   6.684  -5.894
  368   HH21  ARG  49          HH21      ARG  49 -19.857   6.235  -2.600
  369   HH22  ARG  49          HH22      ARG  49 -18.465   6.510  -3.618
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   3.678  -1.686  -0.195
    2    H2   MET   1           H2       MET   1   2.499  -0.725  -0.830
    3    H3   MET   1           H3       MET   1   3.874  -0.050  -0.228
    4    HA   MET   1           HA       MET   1   3.749  -1.830  -2.549
    5    HB2  MET   1           HB2      MET   1   2.697   0.298  -3.061
    6    HB3  MET   1           HB3      MET   1   4.075   1.189  -2.385
    7    HG2  MET   1           HG2      MET   1   5.536   0.436  -4.129
    8    HG3  MET   1           HG3      MET   1   4.370  -0.784  -4.666
    9    HE1  MET   1           HE1      MET   1   3.800   3.023  -3.735
   10    HE2  MET   1           HE2      MET   1   5.371   2.969  -4.570
   11    HE3  MET   1           HE3      MET   1   3.978   3.774  -5.339
   12    H    ILE   2           H        ILE   2   5.787  -2.026  -3.722
   13    HA   ILE   2           HA       ILE   2   8.155  -1.242  -2.120
   14    HB   ILE   2           HB       ILE   2   7.303  -3.710  -1.881
   15   HG12  ILE   2          HG12      ILE   2  10.214  -3.274  -2.624
   16   HG13  ILE   2          HG13      ILE   2   9.490  -2.638  -1.131
   17   HG21  ILE   2          HG21      ILE   2   8.891  -3.941  -4.472
   18   HG22  ILE   2          HG22      ILE   2   8.167  -5.267  -3.537
   19   HG23  ILE   2          HG23      ILE   2   7.120  -4.094  -4.364
   20   HD11  ILE   2          HD11      ILE   2  10.554  -4.794  -0.672
   21   HD12  ILE   2          HD12      ILE   2   8.796  -4.913  -0.461
   22   HD13  ILE   2          HD13      ILE   2   9.568  -5.576  -1.925
   23    H    LEU   3           H        LEU   3  10.030  -0.830  -3.336
   24    HA   LEU   3           HA       LEU   3   9.656  -0.645  -6.288
   25    HB2  LEU   3           HB2      LEU   3  10.689   1.500  -4.409
   26    HB3  LEU   3           HB3      LEU   3  10.680   1.615  -6.178
   27    HG   LEU   3           HG       LEU   3   8.149   1.203  -4.523
   28   HD11  LEU   3          HD11      LEU   3   9.344   3.771  -5.624
   29   HD12  LEU   3          HD12      LEU   3   7.769   3.614  -4.810
   30   HD13  LEU   3          HD13      LEU   3   9.272   3.314  -3.903
   31   HD21  LEU   3          HD21      LEU   3   7.981   0.581  -6.917
   32   HD22  LEU   3          HD22      LEU   3   7.061   2.068  -6.573
   33   HD23  LEU   3          HD23      LEU   3   8.644   2.174  -7.372
   34    H    THR   4           H        THR   4  11.575  -0.798  -7.510
   35    HA   THR   4           HA       THR   4  13.869  -1.861  -6.004
   36    HB   THR   4           HB       THR   4  13.700  -1.868  -8.998
   37    HG1  THR   4           HG1      THR   4  12.597  -3.820  -8.816
   38   HG21  THR   4          HG21      THR   4  15.005  -3.944  -8.693
   39   HG22  THR   4          HG22      THR   4  15.805  -2.567  -7.910
   40   HG23  THR   4          HG23      THR   4  14.907  -3.747  -6.927
   41    H    CYS   5           H        CYS   5  15.854  -0.940  -5.860
   42    HA   CYS   5           HA       CYS   5  16.067   1.845  -6.644
   43    HB2  CYS   5           HB2      CYS   5  16.985   1.037  -4.526
   44    HB3  CYS   5           HB3      CYS   5  18.080  -0.056  -5.400
   45    HA   PRO   6           HA       PRO   6  17.928   1.017 -10.633
   46    HB2  PRO   6           HB2      PRO   6  18.999   3.794 -10.342
   47    HB3  PRO   6           HB3      PRO   6  18.009   3.097 -11.658
   48    HG2  PRO   6           HG2      PRO   6  16.944   4.830  -9.818
   49    HG3  PRO   6           HG3      PRO   6  16.006   3.445 -10.473
   50    HD2  PRO   6           HD2      PRO   6  17.430   3.663  -7.823
   51    HD3  PRO   6           HD3      PRO   6  15.843   2.944  -8.211
   52    H    GLU   7           H        GLU   7  19.547   1.965  -7.696
   53    HA   GLU   7           HA       GLU   7  22.223   1.504  -8.943
   54    HB2  GLU   7           HB2      GLU   7  21.480   3.033  -6.423
   55    HB3  GLU   7           HB3      GLU   7  23.112   2.857  -7.086
   56    HG2  GLU   7           HG2      GLU   7  20.771   4.180  -8.524
   57    HG3  GLU   7           HG3      GLU   7  22.030   5.044  -7.646
   58    H    CYS   8           H        CYS   8  20.238   0.787  -6.006
   59    HA   CYS   8           HA       CYS   8  22.290  -1.048  -5.020
   60    HB2  CYS   8           HB2      CYS   8  19.427  -0.565  -4.082
   61    HB3  CYS   8           HB3      CYS   8  20.652  -1.527  -3.237
   62    H    ALA   9           H        ALA   9  19.682  -1.193  -7.264
   63    HA   ALA   9           HA       ALA   9  18.595  -2.887  -8.325
   64    HB1  ALA   9           HB1      ALA   9  21.165  -4.402  -7.724
   65    HB2  ALA   9           HB2      ALA   9  19.966  -4.821  -8.963
   66    HB3  ALA   9           HB3      ALA   9  20.893  -3.304  -9.099
   67    H    SER  10           H        SER  10  17.919  -2.542  -5.623
   68    HA   SER  10           HA       SER  10  17.128  -5.295  -4.855
   69    HB2  SER  10           HB2      SER  10  19.242  -4.661  -3.667
   70    HB3  SER  10           HB3      SER  10  18.381  -3.272  -2.964
   71    HG   SER  10           HG       SER  10  18.360  -5.120  -1.598
   72    H    ARG  11           H        ARG  11  15.434  -5.226  -3.110
   73    HA   ARG  11           HA       ARG  11  13.416  -3.285  -3.977
   74    HB2  ARG  11           HB2      ARG  11  13.238  -5.655  -2.068
   75    HB3  ARG  11           HB3      ARG  11  11.869  -4.734  -2.712
   76    HG2  ARG  11           HG2      ARG  11  13.840  -6.361  -4.375
   77    HG3  ARG  11           HG3      ARG  11  12.196  -6.859  -3.939
   78    HD2  ARG  11           HD2      ARG  11  11.303  -4.856  -5.136
   79    HD3  ARG  11           HD3      ARG  11  12.952  -4.431  -5.620
   80    HE   ARG  11           HE       ARG  11  12.980  -6.178  -7.161
   81   HH11  ARG  11          HH11      ARG  11  10.051  -6.309  -5.184
   82   HH12  ARG  11          HH12      ARG  11   9.261  -7.479  -6.215
   83   HH21  ARG  11          HH21      ARG  11  11.927  -7.713  -8.487
   84   HH22  ARG  11          HH22      ARG  11  10.315  -8.261  -8.085
   85    H    TYR  12           H        TYR  12  12.212  -1.953  -2.640
   86    HA   TYR  12           HA       TYR  12  12.858  -1.750   0.197
   87    HB2  TYR  12           HB2      TYR  12  14.565  -0.320  -0.511
   88    HB3  TYR  12           HB3      TYR  12  13.562   0.422  -1.759
   89    HD1  TYR  12           HD1      TYR  12  14.211   0.270   1.880
   90    HD2  TYR  12           HD2      TYR  12  12.053   2.225  -1.287
   91    HE1  TYR  12           HE1      TYR  12  13.583   2.093   3.442
   92    HE2  TYR  12           HE2      TYR  12  11.443   4.066   0.261
   93    HH   TYR  12           HH       TYR  12  12.449   4.066   3.705
   94    H    PHE  13           H        PHE  13  11.181  -1.027   1.454
   95    HA   PHE  13           HA       PHE  13   8.713  -0.726  -0.136
   96    HB2  PHE  13           HB2      PHE  13   7.594  -1.643   1.982
   97    HB3  PHE  13           HB3      PHE  13   8.487  -2.722   0.916
   98    HD1  PHE  13           HD2      PHE  13   8.632  -0.933   4.167
   99    HD2  PHE  13           HD1      PHE  13  10.475  -3.860   1.611
  100    HE1  PHE  13           HE2      PHE  13  10.040  -1.706   6.062
  101    HE2  PHE  13           HE1      PHE  13  11.880  -4.629   3.509
  102    HZ   PHE  13           HZ       PHE  13  11.656  -3.560   5.733
  103    H    VAL  14           H        VAL  14   6.981   0.520   0.405
  104    HA   VAL  14           HA       VAL  14   7.272   2.525   2.545
  105    HB   VAL  14           HB       VAL  14   6.708   4.365   1.030
  106   HG11  VAL  14          HG11      VAL  14   8.820   4.589  -0.157
  107   HG12  VAL  14          HG12      VAL  14   9.113   3.840   1.428
  108   HG13  VAL  14          HG13      VAL  14   9.114   2.842  -0.045
  109   HG21  VAL  14          HG21      VAL  14   5.464   3.114  -0.683
  110   HG22  VAL  14          HG22      VAL  14   6.769   4.063  -1.418
  111   HG23  VAL  14          HG23      VAL  14   6.969   2.311  -1.205
  112    H    ASP  15           H        ASP  15   5.204   3.574   3.058
  113    HA   ASP  15           HA       ASP  15   3.005   1.753   2.863
  114    HB2  ASP  15           HB2      ASP  15   3.160   4.639   3.781
  115    HB3  ASP  15           HB3      ASP  15   1.715   3.627   3.901
  116    H    ASP  16           H        ASP  16   0.935   2.065   1.874
  117    HA   ASP  16           HA       ASP  16   1.196   2.837  -0.869
  118    HB2  ASP  16           HB2      ASP  16  -1.210   2.087   0.826
  119    HB3  ASP  16           HB3      ASP  16  -1.279   2.353  -0.921
  120    H    SER  17           H        SER  17   0.566   4.743   1.893
  121    HA   SER  17           HA       SER  17  -1.096   6.722   0.519
  122    HB2  SER  17           HB2      SER  17  -1.361   6.254   2.928
  123    HB3  SER  17           HB3      SER  17   0.324   6.752   3.211
  124    HG   SER  17           HG       SER  17  -1.801   8.354   2.220
  125    H    LYS  18           H        LYS  18   2.264   5.970   0.672
  126    HA   LYS  18           HA       LYS  18   3.243   8.700   0.556
  127    HB2  LYS  18           HB2      LYS  18   4.624   6.056  -0.065
  128    HB3  LYS  18           HB3      LYS  18   5.427   7.614   0.157
  129    HG2  LYS  18           HG2      LYS  18   3.775   6.155   2.269
  130    HG3  LYS  18           HG3      LYS  18   5.545   6.208   2.190
  131    HD2  LYS  18           HD2      LYS  18   5.460   8.693   2.414
  132    HD3  LYS  18           HD3      LYS  18   3.690   8.594   2.597
  133    HE2  LYS  18           HE2      LYS  18   3.983   7.124   4.577
  134    HE3  LYS  18           HE3      LYS  18   5.742   7.233   4.391
  135    HZ1  LYS  18           HZ1      LYS  18   3.945   9.501   4.908
  136    HZ2  LYS  18           HZ2      LYS  18   4.936   8.782   6.013
  137    HZ3  LYS  18           HZ3      LYS  18   5.584   9.592   4.740
  138    H    VAL  19           H        VAL  19   1.757   6.653  -1.739
  139    HA   VAL  19           HA       VAL  19   2.724   8.384  -3.930
  140    HB   VAL  19           HB       VAL  19   2.741   5.363  -4.168
  141   HG11  VAL  19          HG11      VAL  19   3.992   5.857  -6.253
  142   HG12  VAL  19          HG12      VAL  19   2.361   6.561  -6.282
  143   HG13  VAL  19          HG13      VAL  19   3.771   7.597  -5.958
  144   HG21  VAL  19          HG21      VAL  19   5.074   7.281  -3.764
  145   HG22  VAL  19          HG22      VAL  19   4.551   5.987  -2.653
  146   HG23  VAL  19          HG23      VAL  19   5.222   5.576  -4.241
  147    H    GLY  20           H        GLY  20   1.266   8.687  -5.598
  148    HA2  GLY  20           HA2      GLY  20  -1.372   7.306  -5.342
  149    HA3  GLY  20           HA3      GLY  20  -1.236   9.050  -5.593
  150    HA   PRO  21           HA       PRO  21  -1.424   6.828  -9.708
  151    HB2  PRO  21           HB2      PRO  21  -3.694   8.051 -10.663
  152    HB3  PRO  21           HB3      PRO  21  -3.723   6.570  -9.651
  153    HG2  PRO  21           HG2      PRO  21  -4.167   9.441  -8.825
  154    HG3  PRO  21           HG3      PRO  21  -5.080   7.982  -8.321
  155    HD2  PRO  21           HD2      PRO  21  -3.097   9.135  -6.794
  156    HD3  PRO  21           HD3      PRO  21  -3.433   7.381  -6.756
  157    H    ASP  22           H        ASP  22  -1.534  10.137  -8.537
  158    HA   ASP  22           HA       ASP  22  -0.887  11.366 -11.102
  159    HB2  ASP  22           HB2      ASP  22  -2.108  12.451  -9.144
  160    HB3  ASP  22           HB3      ASP  22  -0.573  12.448  -8.264
  161    H    GLY  23           H        GLY  23   0.758   9.380  -8.921
  162    HA2  GLY  23           HA2      GLY  23   2.965   8.708  -8.940
  163    HA3  GLY  23           HA3      GLY  23   3.371  10.029 -10.049
  164    H    ARG  24           H        ARG  24   4.922   9.266  -7.791
  165    HA   ARG  24           HA       ARG  24   5.138  11.831  -6.421
  166    HB2  ARG  24           HB2      ARG  24   3.376  10.197  -5.244
  167    HB3  ARG  24           HB3      ARG  24   4.838   9.430  -4.612
  168    HG2  ARG  24           HG2      ARG  24   4.210  12.410  -4.348
  169    HG3  ARG  24           HG3      ARG  24   3.778  11.195  -3.132
  170    HD2  ARG  24           HD2      ARG  24   6.218  10.561  -3.012
  171    HD3  ARG  24           HD3      ARG  24   6.568  11.982  -4.025
  172    HE   ARG  24           HE       ARG  24   5.060  13.032  -1.994
  173   HH11  ARG  24          HH11      ARG  24   7.984  11.049  -2.107
  174   HH12  ARG  24          HH12      ARG  24   8.601  11.661  -0.590
  175   HH21  ARG  24          HH21      ARG  24   5.881  13.814  -0.019
  176   HH22  ARG  24          HH22      ARG  24   7.418  13.240   0.584
  177    H    VAL  25           H        VAL  25   7.293  12.159  -5.887
  178    HA   VAL  25           HA       VAL  25   9.202  10.199  -6.783
  179    HB   VAL  25           HB       VAL  25   9.428  12.708  -6.931
  180   HG11  VAL  25          HG11      VAL  25  10.341  13.880  -4.981
  181   HG12  VAL  25          HG12      VAL  25   8.741  13.200  -4.591
  182   HG13  VAL  25          HG13      VAL  25  10.220  12.406  -4.000
  183   HG21  VAL  25          HG21      VAL  25  11.322  11.156  -7.308
  184   HG22  VAL  25          HG22      VAL  25  11.850  12.674  -6.551
  185   HG23  VAL  25          HG23      VAL  25  11.703  11.205  -5.568
  186    H    VAL  26           H        VAL  26  10.799   9.082  -5.608
  187    HA   VAL  26           HA       VAL  26  10.313   8.832  -2.683
  188    HB   VAL  26           HB       VAL  26  10.418   6.479  -2.738
  189   HG11  VAL  26          HG11      VAL  26   8.758   7.297  -5.167
  190   HG12  VAL  26          HG12      VAL  26   8.555   5.828  -4.188
  191   HG13  VAL  26          HG13      VAL  26   8.230   7.422  -3.472
  192   HG21  VAL  26          HG21      VAL  26  12.241   6.231  -4.377
  193   HG22  VAL  26          HG22      VAL  26  10.871   5.182  -4.796
  194   HG23  VAL  26          HG23      VAL  26  11.138   6.693  -5.690
  195    H    ARG  27           H        ARG  27  12.184   7.569  -1.611
  196    HA   ARG  27           HA       ARG  27  14.769   8.285  -2.881
  197    HB2  ARG  27           HB2      ARG  27  14.198  10.157  -1.421
  198    HB3  ARG  27           HB3      ARG  27  13.881   9.040  -0.072
  199    HG2  ARG  27           HG2      ARG  27  16.237   8.322  -0.084
  200    HG3  ARG  27           HG3      ARG  27  16.557   9.365  -1.485
  201    HD2  ARG  27           HD2      ARG  27  17.301  10.483   0.551
  202    HD3  ARG  27           HD3      ARG  27  15.919  11.350  -0.136
  203    HE   ARG  27           HE       ARG  27  14.642  10.805   1.722
  204   HH11  ARG  27          HH11      ARG  27  17.587   8.842   1.709
  205   HH12  ARG  27          HH12      ARG  27  17.332   8.239   3.328
  206   HH21  ARG  27          HH21      ARG  27  14.329   9.990   3.831
  207   HH22  ARG  27          HH22      ARG  27  15.492   8.882   4.523
  208    H    CYS  28           H        CYS  28  16.447   6.940  -2.438
  209    HA   CYS  28           HA       CYS  28  15.792   4.313  -1.394
  210    HB2  CYS  28           HB2      CYS  28  17.240   4.764  -3.388
  211    HB3  CYS  28           HB3      CYS  28  18.451   5.478  -2.314
  212    H    ALA  29           H        ALA  29  16.298   3.459   0.556
  213    HA   ALA  29           HA       ALA  29  17.429   5.198   2.614
  214    HB1  ALA  29           HB1      ALA  29  15.548   3.670   3.096
  215    HB2  ALA  29           HB2      ALA  29  16.572   2.276   2.655
  216    HB3  ALA  29           HB3      ALA  29  16.974   3.262   4.081
  217    H    SER  30           H        SER  30  18.763   3.229   0.183
  218    HA   SER  30           HA       SER  30  21.011   2.388   1.942
  219    HB2  SER  30           HB2      SER  30  19.875   1.222  -0.618
  220    HB3  SER  30           HB3      SER  30  21.419   0.706   0.102
  221    HG   SER  30           HG       SER  30  19.628  -0.564   0.807
  222    H    CYS  31           H        CYS  31  20.244   4.486  -0.763
  223    HA   CYS  31           HA       CYS  31  23.092   5.210  -0.787
  224    HB2  CYS  31           HB2      CYS  31  23.410   4.989  -3.151
  225    HB3  CYS  31           HB3      CYS  31  22.821   3.430  -2.522
  226    H    GLY  32           H        GLY  32  19.857   6.170  -0.804
  227    HA2  GLY  32           HA2      GLY  32  19.091   8.329  -0.542
  228    HA3  GLY  32           HA3      GLY  32  20.717   8.942  -0.898
  229    H    ASN  33           H        ASN  33  19.890   6.802  -3.361
  230    HA   ASN  33           HA       ASN  33  19.587   8.812  -5.346
  231    HB2  ASN  33           HB2      ASN  33  20.388   6.443  -5.655
  232    HB3  ASN  33           HB3      ASN  33  18.714   5.898  -5.444
  233   HD21  ASN  33          HD22      ASN  33  18.614   5.019  -7.554
  234   HD22  ASN  33          HD21      ASN  33  18.512   6.041  -8.971
  235    H    ARG  34           H        ARG  34  17.706   9.349  -6.634
  236    HA   ARG  34           HA       ARG  34  15.097   8.789  -5.315
  237    HB2  ARG  34           HB2      ARG  34  16.072  11.502  -6.299
  238    HB3  ARG  34           HB3      ARG  34  14.449  11.145  -5.668
  239    HG2  ARG  34           HG2      ARG  34  15.428  10.530  -3.482
  240    HG3  ARG  34           HG3      ARG  34  17.056  10.895  -4.106
  241    HD2  ARG  34           HD2      ARG  34  16.338  13.227  -4.581
  242    HD3  ARG  34           HD3      ARG  34  14.741  12.864  -3.912
  243    HE   ARG  34           HE       ARG  34  15.600  12.962  -1.762
  244   HH11  ARG  34          HH11      ARG  34  18.257  12.900  -4.100
  245   HH12  ARG  34          HH12      ARG  34  19.469  13.328  -2.915
  246   HH21  ARG  34          HH21      ARG  34  17.203  13.506  -0.232
  247   HH22  ARG  34          HH22      ARG  34  18.877  13.639  -0.719
  248    H    TRP  35           H        TRP  35  13.313   8.695  -6.664
  249    HA   TRP  35           HA       TRP  35  13.471   9.439  -9.468
  250    HB2  TRP  35           HB2      TRP  35  13.125   7.217 -10.377
  251    HB3  TRP  35           HB3      TRP  35  14.650   7.257  -9.496
  252    HD1  TRP  35           HD1      TRP  35  11.213   5.676  -9.467
  253    HE1  TRP  35           HE1      TRP  35  11.081   3.806  -7.752
  254    HE3  TRP  35           HE3      TRP  35  15.705   6.428  -7.129
  255    HZ2  TRP  35           HZ2      TRP  35  12.726   2.744  -5.614
  256    HZ3  TRP  35           HZ3      TRP  35  16.377   4.980  -5.246
  257    HH2  TRP  35           HH2      TRP  35  14.900   3.138  -4.477
  258    H    THR  36           H        THR  36  11.342   9.147 -10.526
  259    HA   THR  36           HA       THR  36   9.218   9.552  -8.626
  260    HB   THR  36           HB       THR  36   8.695   9.216 -11.547
  261    HG1  THR  36           HG1      THR  36   9.396  11.345 -11.818
  262   HG21  THR  36          HG21      THR  36   7.686  11.110  -9.379
  263   HG22  THR  36          HG22      THR  36   7.121  11.076 -11.067
  264   HG23  THR  36          HG23      THR  36   6.822   9.684 -10.007
  265    H    ALA  37           H        ALA  37   7.522   8.302  -8.028
  266    HA   ALA  37           HA       ALA  37   7.395   5.552  -9.181
  267    HB1  ALA  37           HB1      ALA  37   6.716   4.780  -6.951
  268    HB2  ALA  37           HB2      ALA  37   8.317   5.548  -6.889
  269    HB3  ALA  37           HB3      ALA  37   6.880   6.433  -6.311
  270    H    PHE  38           H        PHE  38   5.184   4.558  -8.904
  271    HA   PHE  38           HA       PHE  38   2.999   6.453  -8.577
  272    HB2  PHE  38           HB2      PHE  38   2.003   5.685 -10.823
  273    HB3  PHE  38           HB3      PHE  38   3.225   6.962 -10.776
  274    HD1  PHE  38           HD1      PHE  38   2.620   3.416 -11.659
  275    HD2  PHE  38           HD2      PHE  38   5.414   6.684 -11.727
  276    HE1  PHE  38           HE1      PHE  38   4.052   2.157 -13.240
  277    HE2  PHE  38           HE2      PHE  38   6.848   5.424 -13.312
  278    HZ   PHE  38           HZ       PHE  38   6.170   3.157 -14.068
  279    H    LYS  39           H        LYS  39   0.933   5.586  -8.261
  280    HA   LYS  39           HA       LYS  39   1.022   3.048  -6.916
  281    HB2  LYS  39           HB2      LYS  39  -0.425   4.921  -6.195
  282    HB3  LYS  39           HB3      LYS  39  -1.324   4.824  -7.721
  283    HG2  LYS  39           HG2      LYS  39  -2.579   3.699  -5.962
  284    HG3  LYS  39           HG3      LYS  39  -2.050   2.528  -7.169
  285    HD2  LYS  39           HD2      LYS  39  -1.753   1.686  -4.860
  286    HD3  LYS  39           HD3      LYS  39  -0.210   1.789  -5.717
  287    HE2  LYS  39           HE2      LYS  39   0.016   2.621  -3.427
  288    HE3  LYS  39           HE3      LYS  39   0.296   3.928  -4.587
  289    HZ1  LYS  39           HZ1      LYS  39  -1.954   4.670  -4.199
  290    HZ2  LYS  39           HZ2      LYS  39  -2.218   3.456  -3.121
  291    HZ3  LYS  39           HZ3      LYS  39  -1.114   4.627  -2.794
  292    H    ASP  40           H        ASP  40   0.158   1.069  -7.492
  293    HA   ASP  40           HA       ASP  40  -1.295   0.710  -9.995
  294    HB2  ASP  40           HB2      ASP  40   1.090   0.935 -10.722
  295    HB3  ASP  40           HB3      ASP  40   1.517  -0.422  -9.670
  296    H    GLU  41           H        GLU  41   0.166  -0.449  -7.006
  297    HA   GLU  41           HA       GLU  41  -0.631  -3.189  -7.188
  298    HB2  GLU  41           HB2      GLU  41  -0.004  -1.336  -4.861
  299    HB3  GLU  41           HB3      GLU  41  -0.366  -3.061  -4.661
  300    HG2  GLU  41           HG2      GLU  41   1.496  -3.589  -6.273
  301    HG3  GLU  41           HG3      GLU  41   1.909  -1.863  -6.296
  302    H    ALA  42           H        ALA  42  -2.492  -0.305  -6.674
  303    HA   ALA  42           HA       ALA  42  -4.851  -1.927  -6.043
  304    HB1  ALA  42           HB1      ALA  42  -5.370  -0.646  -4.003
  305    HB2  ALA  42           HB2      ALA  42  -3.789  -1.445  -3.842
  306    HB3  ALA  42           HB3      ALA  42  -3.875   0.295  -4.194
  307    H    GLU  43           H        GLU  43  -3.769  -0.133  -8.214
  308    HA   GLU  43           HA       GLU  43  -5.474   2.227  -8.158
  309    HB2  GLU  43           HB2      GLU  43  -3.306   2.293  -9.270
  310    HB3  GLU  43           HB3      GLU  43  -3.743   0.917 -10.292
  311    HG2  GLU  43           HG2      GLU  43  -3.899   2.980 -11.572
  312    HG3  GLU  43           HG3      GLU  43  -5.493   2.253 -11.403
  313    H    LEU  44           H        LEU  44  -5.837  -1.100  -9.077
  314    HA   LEU  44           HA       LEU  44  -7.857  -0.742 -11.080
  315    HB2  LEU  44           HB2      LEU  44  -8.069  -3.064 -11.047
  316    HB3  LEU  44           HB3      LEU  44  -6.369  -2.786 -10.660
  317    HG   LEU  44           HG       LEU  44  -8.572  -3.368  -8.613
  318   HD11  LEU  44          HD11      LEU  44  -8.109  -5.284 -10.107
  319   HD12  LEU  44          HD12      LEU  44  -6.376  -5.156  -9.740
  320   HD13  LEU  44          HD13      LEU  44  -7.524  -5.597  -8.456
  321   HD21  LEU  44          HD21      LEU  44  -6.741  -2.116  -7.586
  322   HD22  LEU  44          HD22      LEU  44  -6.636  -3.817  -7.096
  323   HD23  LEU  44          HD23      LEU  44  -5.539  -3.191  -8.349
  324    H    GLU  45           H        GLU  45 -10.134  -1.399 -10.877
  325    HA   GLU  45           HA       GLU  45 -11.411  -0.022  -8.703
  326    HB2  GLU  45           HB2      GLU  45 -12.324  -0.133 -10.982
  327    HB3  GLU  45           HB3      GLU  45 -12.536  -1.891 -10.821
  328    HG2  GLU  45           HG2      GLU  45 -14.120  -1.568  -8.979
  329    HG3  GLU  45           HG3      GLU  45 -13.850   0.185  -9.021
  330    H    LEU  46           H        LEU  46 -12.610  -0.822  -6.960
  331    HA   LEU  46           HA       LEU  46 -11.579  -3.239  -5.793
  332    HB2  LEU  46           HB2      LEU  46 -13.954  -1.537  -4.958
  333    HB3  LEU  46           HB3      LEU  46 -13.094  -2.712  -3.950
  334    HG   LEU  46           HG       LEU  46 -11.865  -0.178  -5.131
  335   HD11  LEU  46          HD11      LEU  46 -11.866   0.611  -2.794
  336   HD12  LEU  46          HD12      LEU  46 -13.522   0.262  -3.342
  337   HD13  LEU  46          HD13      LEU  46 -12.682  -0.885  -2.283
  338   HD21  LEU  46          HD21      LEU  46 -10.192  -1.964  -4.846
  339   HD22  LEU  46          HD22      LEU  46  -9.978  -0.718  -3.600
  340   HD23  LEU  46          HD23      LEU  46 -10.761  -2.260  -3.189
  341    H    VAL  47           H        VAL  47 -12.811  -5.087  -5.072
  342    HA   VAL  47           HA       VAL  47 -14.451  -6.178  -7.151
  343    HB   VAL  47           HB       VAL  47 -14.586  -8.146  -5.744
  344   HG11  VAL  47          HG11      VAL  47 -12.209  -8.576  -5.391
  345   HG12  VAL  47          HG12      VAL  47 -12.430  -7.654  -6.895
  346   HG13  VAL  47          HG13      VAL  47 -11.852  -6.838  -5.425
  347   HG21  VAL  47          HG21      VAL  47 -15.079  -7.061  -3.586
  348   HG22  VAL  47          HG22      VAL  47 -13.689  -8.159  -3.445
  349   HG23  VAL  47          HG23      VAL  47 -13.425  -6.403  -3.533
  350    HA   PRO  48           HA       PRO  48 -18.436  -4.855  -5.846
  351    HB2  PRO  48           HB2      PRO  48 -20.045  -6.809  -6.891
  352    HB3  PRO  48           HB3      PRO  48 -19.159  -5.629  -7.909
  353    HG2  PRO  48           HG2      PRO  48 -18.382  -8.481  -7.219
  354    HG3  PRO  48           HG3      PRO  48 -18.332  -7.662  -8.813
  355    HD2  PRO  48           HD2      PRO  48 -16.129  -7.932  -7.188
  356    HD3  PRO  48           HD3      PRO  48 -16.359  -6.526  -8.275
  357    H    ARG  49           H        ARG  49 -16.958  -7.677  -4.600
  358    HA   ARG  49           HA       ARG  49 -19.116  -8.808  -3.100
  359    HB2  ARG  49           HB2      ARG  49 -16.112  -8.906  -2.606
  360    HB3  ARG  49           HB3      ARG  49 -17.329  -9.967  -1.870
  361    HG2  ARG  49           HG2      ARG  49 -17.975 -10.768  -4.139
  362    HG3  ARG  49           HG3      ARG  49 -16.713  -9.734  -4.852
  363    HD2  ARG  49           HD2      ARG  49 -14.996 -10.933  -3.520
  364    HD3  ARG  49           HD3      ARG  49 -16.255 -11.975  -2.842
  365    HE   ARG  49           HE       ARG  49 -16.612 -12.960  -5.012
  366   HH11  ARG  49          HH11      ARG  49 -13.787 -10.837  -4.808
  367   HH12  ARG  49          HH12      ARG  49 -13.041 -11.502  -6.246
  368   HH21  ARG  49          HH21      ARG  49 -15.612 -13.808  -6.866
  369   HH22  ARG  49          HH22      ARG  49 -14.059 -13.199  -7.393
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   3.476  -1.953   0.047
    2    H2   MET   1           H2       MET   1   2.244  -1.048  -0.558
    3    H3   MET   1           H3       MET   1   3.616  -0.317  -0.013
    4    HA   MET   1           HA       MET   1   3.485  -2.141  -2.307
    5    HB2  MET   1           HB2      MET   1   3.825  -0.157  -3.708
    6    HB3  MET   1           HB3      MET   1   2.323  -0.028  -2.771
    7    HG2  MET   1           HG2      MET   1   3.595   1.332  -1.070
    8    HG3  MET   1           HG3      MET   1   4.987   1.313  -2.168
    9    HE1  MET   1           HE1      MET   1   3.765   3.400  -5.210
   10    HE2  MET   1           HE2      MET   1   5.103   2.511  -4.457
   11    HE3  MET   1           HE3      MET   1   3.672   1.632  -5.051
   12    H    ILE   2           H        ILE   2   5.530  -1.862  -3.695
   13    HA   ILE   2           HA       ILE   2   7.878  -1.259  -1.997
   14    HB   ILE   2           HB       ILE   2   7.054  -3.760  -2.024
   15   HG12  ILE   2          HG12      ILE   2   9.977  -3.212  -2.614
   16   HG13  ILE   2          HG13      ILE   2   9.197  -2.699  -1.103
   17   HG21  ILE   2          HG21      ILE   2   8.746  -3.701  -4.558
   18   HG22  ILE   2          HG22      ILE   2   8.015  -5.122  -3.787
   19   HG23  ILE   2          HG23      ILE   2   6.974  -3.892  -4.534
   20   HD11  ILE   2          HD11      ILE   2   8.536  -5.015  -0.609
   21   HD12  ILE   2          HD12      ILE   2   9.321  -5.568  -2.106
   22   HD13  ILE   2          HD13      ILE   2  10.299  -4.869  -0.796
   23    H    LEU   3           H        LEU   3   9.775  -0.768  -3.165
   24    HA   LEU   3           HA       LEU   3   9.454  -0.401  -6.104
   25    HB2  LEU   3           HB2      LEU   3  10.475   1.622  -4.081
   26    HB3  LEU   3           HB3      LEU   3  10.599   1.811  -5.835
   27    HG   LEU   3           HG       LEU   3   7.947   1.443  -4.367
   28   HD11  LEU   3          HD11      LEU   3   9.299   3.982  -5.349
   29   HD12  LEU   3          HD12      LEU   3   7.664   3.870  -4.657
   30   HD13  LEU   3          HD13      LEU   3   9.083   3.516  -3.644
   31   HD21  LEU   3          HD21      LEU   3   7.029   2.377  -6.490
   32   HD22  LEU   3          HD22      LEU   3   8.673   2.403  -7.170
   33   HD23  LEU   3          HD23      LEU   3   7.905   0.852  -6.775
   34    H    THR   4           H        THR   4  11.395  -0.539  -7.303
   35    HA   THR   4           HA       THR   4  13.668  -1.679  -5.790
   36    HB   THR   4           HB       THR   4  13.390  -1.823  -8.771
   37    HG1  THR   4           HG1      THR   4  12.272  -3.750  -8.446
   38   HG21  THR   4          HG21      THR   4  14.652  -3.637  -6.665
   39   HG22  THR   4          HG22      THR   4  14.694  -3.892  -8.423
   40   HG23  THR   4          HG23      THR   4  15.538  -2.503  -7.710
   41    H    CYS   5           H        CYS   5  15.679  -0.825  -5.740
   42    HA   CYS   5           HA       CYS   5  15.945   1.931  -6.586
   43    HB2  CYS   5           HB2      CYS   5  16.905   1.116  -4.494
   44    HB3  CYS   5           HB3      CYS   5  17.930  -0.025  -5.387
   45    HA   PRO   6           HA       PRO   6  17.674   1.006 -10.623
   46    HB2  PRO   6           HB2      PRO   6  18.816   3.755 -10.387
   47    HB3  PRO   6           HB3      PRO   6  17.763   3.071 -11.665
   48    HG2  PRO   6           HG2      PRO   6  16.809   4.849  -9.813
   49    HG3  PRO   6           HG3      PRO   6  15.812   3.483 -10.422
   50    HD2  PRO   6           HD2      PRO   6  17.335   3.682  -7.823
   51    HD3  PRO   6           HD3      PRO   6  15.707   3.019  -8.147
   52    H    GLU   7           H        GLU   7  19.400   1.923  -7.728
   53    HA   GLU   7           HA       GLU   7  22.019   1.381  -9.058
   54    HB2  GLU   7           HB2      GLU   7  21.396   2.983  -6.552
   55    HB3  GLU   7           HB3      GLU   7  23.001   2.755  -7.252
   56    HG2  GLU   7           HG2      GLU   7  20.651   4.093  -8.655
   57    HG3  GLU   7           HG3      GLU   7  21.973   4.945  -7.852
   58    H    CYS   8           H        CYS   8  20.089   0.750  -6.081
   59    HA   CYS   8           HA       CYS   8  22.119  -1.119  -5.103
   60    HB2  CYS   8           HB2      CYS   8  19.278  -0.567  -4.122
   61    HB3  CYS   8           HB3      CYS   8  20.484  -1.571  -3.308
   62    H    ALA   9           H        ALA   9  19.463  -1.208  -7.292
   63    HA   ALA   9           HA       ALA   9  18.312  -2.856  -8.330
   64    HB1  ALA   9           HB1      ALA   9  20.851  -4.447  -7.814
   65    HB2  ALA   9           HB2      ALA   9  19.610  -4.807  -9.043
   66    HB3  ALA   9           HB3      ALA   9  20.582  -3.321  -9.165
   67    H    SER  10           H        SER  10  17.751  -2.526  -5.594
   68    HA   SER  10           HA       SER  10  16.891  -5.262  -4.835
   69    HB2  SER  10           HB2      SER  10  19.039  -4.687  -3.682
   70    HB3  SER  10           HB3      SER  10  18.229  -3.279  -2.958
   71    HG   SER  10           HG       SER  10  18.189  -5.159  -1.606
   72    H    ARG  11           H        ARG  11  15.125  -5.246  -3.267
   73    HA   ARG  11           HA       ARG  11  13.268  -3.087  -3.973
   74    HB2  ARG  11           HB2      ARG  11  12.882  -5.699  -2.459
   75    HB3  ARG  11           HB3      ARG  11  11.594  -4.568  -2.910
   76    HG2  ARG  11           HG2      ARG  11  12.290  -4.819  -5.317
   77    HG3  ARG  11           HG3      ARG  11  13.426  -6.088  -4.814
   78    HD2  ARG  11           HD2      ARG  11  11.537  -7.374  -3.823
   79    HD3  ARG  11           HD3      ARG  11  10.410  -6.118  -4.368
   80    HE   ARG  11           HE       ARG  11  11.736  -8.174  -5.995
   81   HH11  ARG  11          HH11      ARG  11   9.980  -5.100  -5.987
   82   HH12  ARG  11          HH12      ARG  11   9.432  -5.272  -7.641
   83   HH21  ARG  11          HH21      ARG  11  11.038  -8.355  -8.157
   84   HH22  ARG  11          HH22      ARG  11  10.037  -7.111  -8.869
   85    H    TYR  12           H        TYR  12  12.028  -1.901  -2.515
   86    HA   TYR  12           HA       TYR  12  12.633  -2.021   0.330
   87    HB2  TYR  12           HB2      TYR  12  14.377  -0.560  -0.227
   88    HB3  TYR  12           HB3      TYR  12  13.391   0.331  -1.381
   89    HD1  TYR  12           HD2      TYR  12  14.090  -0.198   2.207
   90    HD2  TYR  12           HD1      TYR  12  11.866   2.072  -0.690
   91    HE1  TYR  12           HE2      TYR  12  13.524   1.462   3.959
   92    HE2  TYR  12           HE1      TYR  12  11.311   3.756   1.054
   93    HH   TYR  12           HH       TYR  12  12.434   3.430   4.440
   94    H    PHE  13           H        PHE  13  10.935  -1.404   1.624
   95    HA   PHE  13           HA       PHE  13   8.486  -0.945   0.047
   96    HB2  PHE  13           HB2      PHE  13   7.367  -1.960   2.117
   97    HB3  PHE  13           HB3      PHE  13   8.244  -2.990   0.993
   98    HD1  PHE  13           HD2      PHE  13   8.408  -1.388   4.334
   99    HD2  PHE  13           HD1      PHE  13  10.234  -4.174   1.614
  100    HE1  PHE  13           HE2      PHE  13   9.828  -2.261   6.175
  101    HE2  PHE  13           HE1      PHE  13  11.645  -5.046   3.454
  102    HZ   PHE  13           HZ       PHE  13  11.432  -4.094   5.742
  103    H    VAL  14           H        VAL  14   6.780   0.297   0.611
  104    HA   VAL  14           HA       VAL  14   7.071   2.193   2.847
  105    HB   VAL  14           HB       VAL  14   6.616   4.118   1.431
  106   HG11  VAL  14          HG11      VAL  14   8.752   4.323   0.276
  107   HG12  VAL  14          HG12      VAL  14   8.990   3.490   1.830
  108   HG13  VAL  14          HG13      VAL  14   8.981   2.558   0.310
  109   HG21  VAL  14          HG21      VAL  14   5.355   3.016  -0.364
  110   HG22  VAL  14          HG22      VAL  14   6.695   3.963  -1.035
  111   HG23  VAL  14          HG23      VAL  14   6.839   2.193  -0.918
  112    H    ASP  15           H        ASP  15   5.019   3.404   3.205
  113    HA   ASP  15           HA       ASP  15   2.761   1.660   3.056
  114    HB2  ASP  15           HB2      ASP  15   2.992   4.602   3.748
  115    HB3  ASP  15           HB3      ASP  15   1.511   3.648   3.925
  116    H    ASP  16           H        ASP  16   0.743   1.941   1.952
  117    HA   ASP  16           HA       ASP  16   1.094   2.607  -0.814
  118    HB2  ASP  16           HB2      ASP  16  -1.396   1.996   0.821
  119    HB3  ASP  16           HB3      ASP  16  -1.367   2.151  -0.941
  120    H    SER  17           H        SER  17   0.494   4.615   1.873
  121    HA   SER  17           HA       SER  17  -1.078   6.602   0.392
  122    HB2  SER  17           HB2      SER  17  -0.947   7.860   2.490
  123    HB3  SER  17           HB3      SER  17  -1.461   6.183   2.793
  124    HG   SER  17           HG       SER  17   0.186   6.878   4.234
  125    H    LYS  18           H        LYS  18   2.229   5.722   0.634
  126    HA   LYS  18           HA       LYS  18   3.366   8.376   0.572
  127    HB2  LYS  18           HB2      LYS  18   4.571   6.433   1.487
  128    HB3  LYS  18           HB3      LYS  18   4.472   5.607  -0.074
  129    HG2  LYS  18           HG2      LYS  18   6.687   6.562   0.260
  130    HG3  LYS  18           HG3      LYS  18   5.884   7.336  -1.112
  131    HD2  LYS  18           HD2      LYS  18   5.220   9.236   0.431
  132    HD3  LYS  18           HD3      LYS  18   6.141   8.445   1.722
  133    HE2  LYS  18           HE2      LYS  18   7.517  10.172   0.681
  134    HE3  LYS  18           HE3      LYS  18   8.185   8.579   0.294
  135    HZ1  LYS  18           HZ1      LYS  18   6.447  10.188  -1.463
  136    HZ2  LYS  18           HZ2      LYS  18   8.072   9.997  -1.648
  137    HZ3  LYS  18           HZ3      LYS  18   7.066   8.709  -1.831
  138    H    VAL  19           H        VAL  19   1.836   6.349  -1.774
  139    HA   VAL  19           HA       VAL  19   2.799   8.119  -3.938
  140    HB   VAL  19           HB       VAL  19   2.688   5.107  -4.232
  141   HG11  VAL  19          HG11      VAL  19   3.965   5.596  -6.308
  142   HG12  VAL  19          HG12      VAL  19   2.365   6.361  -6.319
  143   HG13  VAL  19          HG13      VAL  19   3.818   7.339  -5.974
  144   HG21  VAL  19          HG21      VAL  19   5.177   5.210  -4.287
  145   HG22  VAL  19          HG22      VAL  19   5.098   6.917  -3.806
  146   HG23  VAL  19          HG23      VAL  19   4.520   5.642  -2.696
  147    H    GLY  20           H        GLY  20   1.355   8.425  -5.657
  148    HA2  GLY  20           HA2      GLY  20  -1.344   7.184  -5.318
  149    HA3  GLY  20           HA3      GLY  20  -1.136   8.907  -5.646
  150    HA   PRO  21           HA       PRO  21  -1.446   6.480  -9.647
  151    HB2  PRO  21           HB2      PRO  21  -3.690   7.732 -10.635
  152    HB3  PRO  21           HB3      PRO  21  -3.753   6.293  -9.567
  153    HG2  PRO  21           HG2      PRO  21  -4.119   9.204  -8.836
  154    HG3  PRO  21           HG3      PRO  21  -5.055   7.778  -8.279
  155    HD2  PRO  21           HD2      PRO  21  -3.026   8.941  -6.810
  156    HD3  PRO  21           HD3      PRO  21  -3.403   7.198  -6.715
  157    H    ASP  22           H        ASP  22  -1.581   9.877  -8.658
  158    HA   ASP  22           HA       ASP  22  -0.746  10.898 -11.244
  159    HB2  ASP  22           HB2      ASP  22  -0.969  12.119  -8.475
  160    HB3  ASP  22           HB3      ASP  22  -0.446  13.014  -9.907
  161    H    GLY  23           H        GLY  23   0.841   9.103  -8.927
  162    HA2  GLY  23           HA2      GLY  23   3.067   8.522  -8.836
  163    HA3  GLY  23           HA3      GLY  23   3.466   9.798  -9.994
  164    H    ARG  24           H        ARG  24   5.037   9.237  -7.747
  165    HA   ARG  24           HA       ARG  24   5.121  11.854  -6.485
  166    HB2  ARG  24           HB2      ARG  24   3.461  10.563  -5.075
  167    HB3  ARG  24           HB3      ARG  24   4.734   9.361  -4.779
  168    HG2  ARG  24           HG2      ARG  24   4.584  10.908  -2.888
  169    HG3  ARG  24           HG3      ARG  24   6.136  11.131  -3.716
  170    HD2  ARG  24           HD2      ARG  24   5.238  13.099  -4.906
  171    HD3  ARG  24           HD3      ARG  24   3.653  12.849  -4.161
  172    HE   ARG  24           HE       ARG  24   6.092  13.917  -2.879
  173   HH11  ARG  24          HH11      ARG  24   2.783  12.745  -2.487
  174   HH12  ARG  24          HH12      ARG  24   2.567  13.508  -0.928
  175   HH21  ARG  24          HH21      ARG  24   5.788  14.911  -0.853
  176   HH22  ARG  24          HH22      ARG  24   4.265  14.739  -0.006
  177    H    VAL  25           H        VAL  25   7.216  12.270  -5.658
  178    HA   VAL  25           HA       VAL  25   9.255  10.490  -6.707
  179    HB   VAL  25           HB       VAL  25   9.326  13.017  -6.730
  180   HG11  VAL  25          HG11      VAL  25  10.194  12.613  -3.837
  181   HG12  VAL  25          HG12      VAL  25  10.190  14.145  -4.736
  182   HG13  VAL  25          HG13      VAL  25   8.652  13.346  -4.354
  183   HG21  VAL  25          HG21      VAL  25  11.290  11.577  -7.211
  184   HG22  VAL  25          HG22      VAL  25  11.751  13.092  -6.401
  185   HG23  VAL  25          HG23      VAL  25  11.700  11.576  -5.478
  186    H    VAL  26           H        VAL  26  10.916   9.421  -5.587
  187    HA   VAL  26           HA       VAL  26  10.484   9.025  -2.683
  188    HB   VAL  26           HB       VAL  26  10.562   6.670  -2.823
  189   HG11  VAL  26          HG11      VAL  26   8.618   6.102  -4.190
  190   HG12  VAL  26          HG12      VAL  26   8.359   7.665  -3.385
  191   HG13  VAL  26          HG13      VAL  26   8.786   7.606  -5.117
  192   HG21  VAL  26          HG21      VAL  26  11.123   6.986  -5.798
  193   HG22  VAL  26          HG22      VAL  26  12.287   6.437  -4.569
  194   HG23  VAL  26          HG23      VAL  26  10.873   5.444  -4.951
  195    H    ARG  27           H        ARG  27  12.368   7.805  -1.678
  196    HA   ARG  27           HA       ARG  27  14.919   8.392  -3.070
  197    HB2  ARG  27           HB2      ARG  27  14.441  10.362  -1.714
  198    HB3  ARG  27           HB3      ARG  27  14.158   9.345  -0.288
  199    HG2  ARG  27           HG2      ARG  27  16.498   8.583  -0.326
  200    HG3  ARG  27           HG3      ARG  27  16.790   9.507  -1.819
  201    HD2  ARG  27           HD2      ARG  27  17.632  10.742   0.132
  202    HD3  ARG  27           HD3      ARG  27  16.285  11.603  -0.631
  203    HE   ARG  27           HE       ARG  27  15.008  11.299   1.288
  204   HH11  ARG  27          HH11      ARG  27  17.824   9.159   1.406
  205   HH12  ARG  27          HH12      ARG  27  17.536   8.686   3.064
  206   HH21  ARG  27          HH21      ARG  27  14.658  10.667   3.441
  207   HH22  ARG  27          HH22      ARG  27  15.754   9.551   4.220
  208    H    CYS  28           H        CYS  28  16.605   7.063  -2.567
  209    HA   CYS  28           HA       CYS  28  15.885   4.476  -1.473
  210    HB2  CYS  28           HB2      CYS  28  17.359   4.877  -3.459
  211    HB3  CYS  28           HB3      CYS  28  18.585   5.561  -2.373
  212    H    ALA  29           H        ALA  29  16.364   3.651   0.505
  213    HA   ALA  29           HA       ALA  29  17.565   5.388   2.529
  214    HB1  ALA  29           HB1      ALA  29  16.626   2.495   2.646
  215    HB2  ALA  29           HB2      ALA  29  17.041   3.520   4.037
  216    HB3  ALA  29           HB3      ALA  29  15.630   3.922   3.034
  217    H    SER  30           H        SER  30  18.814   3.300   0.131
  218    HA   SER  30           HA       SER  30  21.046   2.424   1.892
  219    HB2  SER  30           HB2      SER  30  19.842   1.238  -0.628
  220    HB3  SER  30           HB3      SER  30  21.385   0.699   0.067
  221    HG   SER  30           HG       SER  30  18.847   0.727   1.342
  222    H    CYS  31           H        CYS  31  20.337   4.476  -0.868
  223    HA   CYS  31           HA       CYS  31  23.217   5.092  -0.937
  224    HB2  CYS  31           HB2      CYS  31  23.511   4.809  -3.280
  225    HB3  CYS  31           HB3      CYS  31  22.846   3.290  -2.636
  226    H    GLY  32           H        GLY  32  20.032   6.175  -0.903
  227    HA2  GLY  32           HA2      GLY  32  19.352   8.362  -0.656
  228    HA3  GLY  32           HA3      GLY  32  21.000   8.904  -1.031
  229    H    ASN  33           H        ASN  33  20.004   6.780  -3.461
  230    HA   ASN  33           HA       ASN  33  19.833   8.753  -5.484
  231    HB2  ASN  33           HB2      ASN  33  20.373   6.303  -5.737
  232    HB3  ASN  33           HB3      ASN  33  18.658   5.946  -5.474
  233   HD21  ASN  33          HD22      ASN  33  18.552   4.982  -7.589
  234   HD22  ASN  33          HD21      ASN  33  18.466   5.991  -9.021
  235    H    ARG  34           H        ARG  34  17.972   9.418  -6.765
  236    HA   ARG  34           HA       ARG  34  15.365   9.240  -5.349
  237    HB2  ARG  34           HB2      ARG  34  16.436  11.279  -4.538
  238    HB3  ARG  34           HB3      ARG  34  16.803  11.782  -6.199
  239    HG2  ARG  34           HG2      ARG  34  14.392  11.949  -6.707
  240    HG3  ARG  34           HG3      ARG  34  14.004  11.391  -5.066
  241    HD2  ARG  34           HD2      ARG  34  13.826  13.822  -5.167
  242    HD3  ARG  34           HD3      ARG  34  15.177  13.360  -4.128
  243    HE   ARG  34           HE       ARG  34  15.447  14.323  -6.958
  244   HH11  ARG  34          HH11      ARG  34  16.697  14.049  -3.656
  245   HH12  ARG  34          HH12      ARG  34  18.109  15.026  -3.991
  246   HH21  ARG  34          HH21      ARG  34  17.299  15.583  -7.358
  247   HH22  ARG  34          HH22      ARG  34  18.443  15.900  -6.074
  248    H    TRP  35           H        TRP  35  13.634   9.067  -6.675
  249    HA   TRP  35           HA       TRP  35  13.711   9.961  -9.445
  250    HB2  TRP  35           HB2      TRP  35  13.455   7.799 -10.461
  251    HB3  TRP  35           HB3      TRP  35  14.958   7.803  -9.537
  252    HD1  TRP  35           HD1      TRP  35  11.644   6.077  -9.853
  253    HE1  TRP  35           HE1      TRP  35  11.457   4.118  -8.242
  254    HE3  TRP  35           HE3      TRP  35  15.807   6.973  -7.009
  255    HZ2  TRP  35           HZ2      TRP  35  12.895   3.082  -5.958
  256    HZ3  TRP  35           HZ3      TRP  35  16.350   5.492  -5.112
  257    HH2  TRP  35           HH2      TRP  35  14.915   3.540  -4.578
  258    H    THR  36           H        THR  36  11.574   9.609 -10.487
  259    HA   THR  36           HA       THR  36   9.435   9.848  -8.558
  260    HB   THR  36           HB       THR  36   8.934   9.619 -11.497
  261    HG1  THR  36           HG1      THR  36   9.528  11.796 -11.656
  262   HG21  THR  36          HG21      THR  36   7.028   9.904  -9.976
  263   HG22  THR  36          HG22      THR  36   7.811  11.320  -9.232
  264   HG23  THR  36          HG23      THR  36   7.275  11.383 -10.927
  265    H    ALA  37           H        ALA  37   7.749   8.521  -8.083
  266    HA   ALA  37           HA       ALA  37   7.807   5.787  -9.276
  267    HB1  ALA  37           HB1      ALA  37   7.162   6.574  -6.409
  268    HB2  ALA  37           HB2      ALA  37   7.147   4.927  -7.080
  269    HB3  ALA  37           HB3      ALA  37   8.680   5.821  -6.951
  270    H    PHE  38           H        PHE  38   5.651   4.676  -9.084
  271    HA   PHE  38           HA       PHE  38   3.361   6.438  -8.731
  272    HB2  PHE  38           HB2      PHE  38   2.438   5.706 -11.014
  273    HB3  PHE  38           HB3      PHE  38   3.588   7.038 -10.909
  274    HD1  PHE  38           HD2      PHE  38   3.161   3.520 -11.943
  275    HD2  PHE  38           HD1      PHE  38   5.825   6.892 -11.820
  276    HE1  PHE  38           HE2      PHE  38   4.658   2.399 -13.579
  277    HE2  PHE  38           HE1      PHE  38   7.328   5.766 -13.436
  278    HZ   PHE  38           HZ       PHE  38   6.745   3.524 -14.321
  279    H    LYS  39           H        LYS  39   1.350   5.453  -8.468
  280    HA   LYS  39           HA       LYS  39   1.577   2.849  -7.247
  281    HB2  LYS  39           HB2      LYS  39   0.134   4.559  -6.323
  282    HB3  LYS  39           HB3      LYS  39  -0.814   4.642  -7.822
  283    HG2  LYS  39           HG2      LYS  39  -1.710   2.458  -7.530
  284    HG3  LYS  39           HG3      LYS  39  -0.535   2.054  -6.257
  285    HD2  LYS  39           HD2      LYS  39  -2.629   4.248  -5.987
  286    HD3  LYS  39           HD3      LYS  39  -2.841   2.579  -5.402
  287    HE2  LYS  39           HE2      LYS  39  -0.802   2.808  -4.014
  288    HE3  LYS  39           HE3      LYS  39  -0.595   4.471  -4.569
  289    HZ1  LYS  39           HZ1      LYS  39  -1.690   4.405  -2.455
  290    HZ2  LYS  39           HZ2      LYS  39  -2.719   5.011  -3.584
  291    HZ3  LYS  39           HZ3      LYS  39  -2.904   3.466  -3.052
  292    H    ASP  40           H        ASP  40   0.552   0.918  -7.824
  293    HA   ASP  40           HA       ASP  40  -0.758   0.656 -10.428
  294    HB2  ASP  40           HB2      ASP  40   1.692   0.706 -10.976
  295    HB3  ASP  40           HB3      ASP  40   1.938  -0.676  -9.900
  296    H    GLU  41           H        GLU  41   0.303  -0.508  -7.301
  297    HA   GLU  41           HA       GLU  41  -0.634  -3.216  -7.519
  298    HB2  GLU  41           HB2      GLU  41  -0.148  -1.376  -5.151
  299    HB3  GLU  41           HB3      GLU  41  -0.537  -3.101  -5.014
  300    HG2  GLU  41           HG2      GLU  41   1.473  -3.614  -6.433
  301    HG3  GLU  41           HG3      GLU  41   1.878  -1.891  -6.440
  302    H    ALA  42           H        ALA  42  -2.277  -0.178  -7.189
  303    HA   ALA  42           HA       ALA  42  -4.841  -1.524  -6.874
  304    HB1  ALA  42           HB1      ALA  42  -3.824   0.390  -4.728
  305    HB2  ALA  42           HB2      ALA  42  -5.440  -0.361  -4.783
  306    HB3  ALA  42           HB3      ALA  42  -3.996  -1.368  -4.535
  307    H    GLU  43           H        GLU  43  -3.386   0.234  -8.793
  308    HA   GLU  43           HA       GLU  43  -4.535   2.872  -8.636
  309    HB2  GLU  43           HB2      GLU  43  -2.437   2.457  -9.760
  310    HB3  GLU  43           HB3      GLU  43  -3.189   1.330 -10.895
  311    HG2  GLU  43           HG2      GLU  43  -4.202   4.178 -10.684
  312    HG3  GLU  43           HG3      GLU  43  -2.709   3.839 -11.564
  313    H    LEU  44           H        LEU  44  -5.754  -0.213  -9.648
  314    HA   LEU  44           HA       LEU  44  -8.309   1.025 -10.347
  315    HB2  LEU  44           HB2      LEU  44  -7.174   1.031 -12.514
  316    HB3  LEU  44           HB3      LEU  44  -6.717  -0.666 -12.315
  317    HG   LEU  44           HG       LEU  44  -9.137  -1.304 -12.319
  318   HD11  LEU  44          HD11      LEU  44  -9.537   1.648 -12.991
  319   HD12  LEU  44          HD12      LEU  44 -10.787   0.391 -13.085
  320   HD13  LEU  44          HD13      LEU  44 -10.100   0.833 -11.510
  321   HD21  LEU  44          HD21      LEU  44  -7.788  -1.325 -14.386
  322   HD22  LEU  44          HD22      LEU  44  -9.487  -0.908 -14.718
  323   HD23  LEU  44          HD23      LEU  44  -8.249   0.365 -14.701
  324    H    GLU  45           H        GLU  45 -10.057  -0.410 -10.074
  325    HA   GLU  45           HA       GLU  45  -9.552  -3.221  -9.476
  326    HB2  GLU  45           HB2      GLU  45  -9.029  -2.241  -7.307
  327    HB3  GLU  45           HB3      GLU  45 -10.472  -1.226  -7.370
  328    HG2  GLU  45           HG2      GLU  45 -10.858  -3.062  -5.852
  329    HG3  GLU  45           HG3      GLU  45 -11.909  -3.244  -7.257
  330    H    LEU  46           H        LEU  46 -11.465  -4.479  -9.523
  331    HA   LEU  46           HA       LEU  46 -13.459  -3.483 -11.301
  332    HB2  LEU  46           HB2      LEU  46 -12.795  -5.834 -11.215
  333    HB3  LEU  46           HB3      LEU  46 -13.359  -5.957  -9.543
  334    HG   LEU  46           HG       LEU  46 -15.691  -5.464 -10.312
  335   HD11  LEU  46          HD11      LEU  46 -14.421  -5.669 -13.081
  336   HD12  LEU  46          HD12      LEU  46 -16.168  -5.617 -12.751
  337   HD13  LEU  46          HD13      LEU  46 -15.152  -4.207 -12.383
  338   HD21  LEU  46          HD21      LEU  46 -14.886  -7.779 -10.046
  339   HD22  LEU  46          HD22      LEU  46 -16.039  -7.657 -11.393
  340   HD23  LEU  46          HD23      LEU  46 -14.296  -7.778 -11.726
  341    H    VAL  47           H        VAL  47 -15.592  -2.850 -10.978
  342    HA   VAL  47           HA       VAL  47 -16.160  -1.496  -8.543
  343    HB   VAL  47           HB       VAL  47 -18.049  -2.286 -10.793
  344   HG11  VAL  47          HG11      VAL  47 -18.188  -0.052  -8.725
  345   HG12  VAL  47          HG12      VAL  47 -19.328  -0.309 -10.066
  346   HG13  VAL  47          HG13      VAL  47 -19.217  -1.504  -8.757
  347   HG21  VAL  47          HG21      VAL  47 -16.097  -1.071 -11.655
  348   HG22  VAL  47          HG22      VAL  47 -17.531  -0.028 -11.682
  349   HG23  VAL  47          HG23      VAL  47 -16.303   0.184 -10.410
  350    HA   PRO  48           HA       PRO  48 -17.732  -4.788  -6.021
  351    HB2  PRO  48           HB2      PRO  48 -19.564  -2.683  -4.932
  352    HB3  PRO  48           HB3      PRO  48 -18.470  -3.798  -4.051
  353    HG2  PRO  48           HG2      PRO  48 -17.830  -1.168  -4.392
  354    HG3  PRO  48           HG3      PRO  48 -16.584  -2.454  -4.501
  355    HD2  PRO  48           HD2      PRO  48 -17.977  -0.981  -6.735
  356    HD3  PRO  48           HD3      PRO  48 -16.266  -1.495  -6.597
  357    H    ARG  49           H        ARG  49 -19.654  -6.054  -5.697
  358    HA   ARG  49           HA       ARG  49 -21.473  -6.043  -7.930
  359    HB2  ARG  49           HB2      ARG  49 -22.498  -7.954  -6.790
  360    HB3  ARG  49           HB3      ARG  49 -20.734  -8.108  -6.825
  361    HG2  ARG  49           HG2      ARG  49 -20.613  -7.283  -4.488
  362    HG3  ARG  49           HG3      ARG  49 -22.386  -7.131  -4.451
  363    HD2  ARG  49           HD2      ARG  49 -22.600  -9.560  -4.910
  364    HD3  ARG  49           HD3      ARG  49 -20.835  -9.704  -4.938
  365    HE   ARG  49           HE       ARG  49 -20.757  -9.484  -2.608
  366   HH11  ARG  49          HH11      ARG  49 -24.047  -9.003  -3.810
  367   HH12  ARG  49          HH12      ARG  49 -24.769  -9.104  -2.220
  368   HH21  ARG  49          HH21      ARG  49 -21.717  -9.623  -0.551
  369   HH22  ARG  49          HH22      ARG  49 -23.448  -9.464  -0.377
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   3.493  -0.331  -0.217
    2    H2   MET   1           H2       MET   1   3.260  -1.961  -0.232
    3    H3   MET   1           H3       MET   1   2.105  -0.951  -0.842
    4    HA   MET   1           HA       MET   1   3.338  -2.062  -2.579
    5    HB2  MET   1           HB2      MET   1   3.792  -0.066  -3.910
    6    HB3  MET   1           HB3      MET   1   2.302   0.149  -2.976
    7    HG2  MET   1           HG2      MET   1   3.708   1.344  -1.219
    8    HG3  MET   1           HG3      MET   1   5.043   1.306  -2.377
    9    HE1  MET   1           HE1      MET   1   3.501   1.786  -5.166
   10    HE2  MET   1           HE2      MET   1   3.694   3.548  -5.295
   11    HE3  MET   1           HE3      MET   1   5.038   2.549  -4.692
   12    H    ILE   2           H        ILE   2   5.453  -1.757  -3.904
   13    HA   ILE   2           HA       ILE   2   7.778  -1.391  -2.102
   14    HB   ILE   2           HB       ILE   2   6.852  -3.854  -2.363
   15   HG12  ILE   2          HG12      ILE   2   9.818  -3.392  -2.826
   16   HG13  ILE   2          HG13      ILE   2   9.009  -2.973  -1.301
   17   HG21  ILE   2          HG21      ILE   2   8.614  -3.617  -4.837
   18   HG22  ILE   2          HG22      ILE   2   7.821  -5.088  -4.231
   19   HG23  ILE   2          HG23      ILE   2   6.839  -3.766  -4.880
   20   HD11  ILE   2          HD11      ILE   2   8.215  -5.289  -1.049
   21   HD12  ILE   2          HD12      ILE   2   9.053  -5.748  -2.558
   22   HD13  ILE   2          HD13      ILE   2   9.987  -5.213  -1.144
   23    H    LEU   3           H        LEU   3   9.711  -0.866  -3.164
   24    HA   LEU   3           HA       LEU   3   9.483  -0.219  -6.062
   25    HB2  LEU   3           HB2      LEU   3  10.513   1.584  -3.836
   26    HB3  LEU   3           HB3      LEU   3  10.619   1.952  -5.570
   27    HG   LEU   3           HG       LEU   3   7.983   1.461  -4.103
   28   HD11  LEU   3          HD11      LEU   3   9.145   3.438  -3.196
   29   HD12  LEU   3          HD12      LEU   3   9.348   4.075  -4.846
   30   HD13  LEU   3          HD13      LEU   3   7.715   3.903  -4.146
   31   HD21  LEU   3          HD21      LEU   3   7.039   2.593  -6.093
   32   HD22  LEU   3          HD22      LEU   3   8.663   2.702  -6.807
   33   HD23  LEU   3          HD23      LEU   3   7.908   1.111  -6.550
   34    H    THR   4           H        THR   4  11.446  -0.243  -7.217
   35    HA   THR   4           HA       THR   4  13.690  -1.514  -5.743
   36    HB   THR   4           HB       THR   4  13.334  -1.723  -8.715
   37    HG1  THR   4           HG1      THR   4  11.446  -2.511  -7.812
   38   HG21  THR   4          HG21      THR   4  14.626  -3.792  -8.359
   39   HG22  THR   4          HG22      THR   4  15.506  -2.382  -7.735
   40   HG23  THR   4          HG23      THR   4  14.663  -3.471  -6.608
   41    H    CYS   5           H        CYS   5  15.687  -0.658  -5.707
   42    HA   CYS   5           HA       CYS   5  15.970   2.067  -6.622
   43    HB2  CYS   5           HB2      CYS   5  16.928   1.287  -4.506
   44    HB3  CYS   5           HB3      CYS   5  17.952   0.127  -5.382
   45    HA   PRO   6           HA       PRO   6  17.684   1.041 -10.636
   46    HB2  PRO   6           HB2      PRO   6  18.870   3.777 -10.470
   47    HB3  PRO   6           HB3      PRO   6  17.796   3.085 -11.728
   48    HG2  PRO   6           HG2      PRO   6  16.901   4.924  -9.893
   49    HG3  PRO   6           HG3      PRO   6  15.865   3.576 -10.481
   50    HD2  PRO   6           HD2      PRO   6  17.396   3.788  -7.886
   51    HD3  PRO   6           HD3      PRO   6  15.755   3.142  -8.202
   52    H    GLU   7           H        GLU   7  19.433   2.015  -7.782
   53    HA   GLU   7           HA       GLU   7  22.033   1.385  -9.115
   54    HB2  GLU   7           HB2      GLU   7  21.454   3.018  -6.616
   55    HB3  GLU   7           HB3      GLU   7  23.053   2.750  -7.325
   56    HG2  GLU   7           HG2      GLU   7  20.719   4.153  -8.708
   57    HG3  GLU   7           HG3      GLU   7  22.069   4.967  -7.916
   58    H    CYS   8           H        CYS   8  20.133   0.866  -6.088
   59    HA   CYS   8           HA       CYS   8  22.120  -1.036  -5.116
   60    HB2  CYS   8           HB2      CYS   8  19.314  -0.412  -4.097
   61    HB3  CYS   8           HB3      CYS   8  20.531  -1.398  -3.270
   62    H    ALA   9           H        ALA   9  19.424  -1.122  -7.255
   63    HA   ALA   9           HA       ALA   9  18.253  -2.781  -8.258
   64    HB1  ALA   9           HB1      ALA   9  20.804  -4.373  -7.759
   65    HB2  ALA   9           HB2      ALA   9  19.551  -4.730  -8.971
   66    HB3  ALA   9           HB3      ALA   9  20.523  -3.254  -9.114
   67    H    SER  10           H        SER  10  17.660  -2.454  -5.529
   68    HA   SER  10           HA       SER  10  16.891  -5.214  -4.755
   69    HB2  SER  10           HB2      SER  10  18.998  -4.542  -3.585
   70    HB3  SER  10           HB3      SER  10  18.140  -3.158  -2.892
   71    HG   SER  10           HG       SER  10  18.120  -4.973  -1.494
   72    H    ARG  11           H        ARG  11  15.043  -5.308  -3.383
   73    HA   ARG  11           HA       ARG  11  13.166  -3.147  -4.009
   74    HB2  ARG  11           HB2      ARG  11  12.778  -5.860  -2.688
   75    HB3  ARG  11           HB3      ARG  11  11.479  -4.725  -3.117
   76    HG2  ARG  11           HG2      ARG  11  12.268  -4.799  -5.502
   77    HG3  ARG  11           HG3      ARG  11  13.421  -6.069  -5.038
   78    HD2  ARG  11           HD2      ARG  11  11.542  -7.453  -4.204
   79    HD3  ARG  11           HD3      ARG  11  10.398  -6.193  -4.707
   80    HE   ARG  11           HE       ARG  11  11.823  -8.107  -6.419
   81   HH11  ARG  11          HH11      ARG  11  10.021  -5.069  -6.281
   82   HH12  ARG  11          HH12      ARG  11   9.543  -5.139  -7.963
   83   HH21  ARG  11          HH21      ARG  11  11.204  -8.160  -8.615
   84   HH22  ARG  11          HH22      ARG  11  10.212  -6.884  -9.280
   85    H    TYR  12           H        TYR  12  11.851  -2.077  -2.499
   86    HA   TYR  12           HA       TYR  12  12.296  -2.458   0.340
   87    HB2  TYR  12           HB2      TYR  12  14.105  -1.004   0.030
   88    HB3  TYR  12           HB3      TYR  12  13.200   0.034  -1.080
   89    HD1  TYR  12           HD2      TYR  12  13.592  -0.930   2.468
   90    HD2  TYR  12           HD1      TYR  12  11.767   1.790  -0.316
   91    HE1  TYR  12           HE2      TYR  12  12.971   0.581   4.355
   92    HE2  TYR  12           HE1      TYR  12  11.178   3.315   1.544
   93    HH   TYR  12           HH       TYR  12  11.240   3.671   3.813
   94    H    PHE  13           H        PHE  13  10.563  -1.864   1.608
   95    HA   PHE  13           HA       PHE  13   8.221  -1.145  -0.043
   96    HB2  PHE  13           HB2      PHE  13   6.931  -2.400   1.775
   97    HB3  PHE  13           HB3      PHE  13   7.856  -3.298   0.576
   98    HD1  PHE  13           HD1      PHE  13   7.779  -2.220   4.120
   99    HD2  PHE  13           HD2      PHE  13   9.773  -4.622   1.159
  100    HE1  PHE  13           HE1      PHE  13   9.039  -3.394   5.914
  101    HE2  PHE  13           HE2      PHE  13  11.020  -5.797   2.951
  102    HZ   PHE  13           HZ       PHE  13  10.662  -5.176   5.329
  103    H    VAL  14           H        VAL  14   6.516   0.073   0.613
  104    HA   VAL  14           HA       VAL  14   6.726   1.609   3.109
  105    HB   VAL  14           HB       VAL  14   6.497   3.749   1.974
  106   HG11  VAL  14          HG11      VAL  14   8.783   2.932   2.491
  107   HG12  VAL  14          HG12      VAL  14   8.899   2.269   0.840
  108   HG13  VAL  14          HG13      VAL  14   8.735   4.024   1.097
  109   HG21  VAL  14          HG21      VAL  14   5.374   2.990  -0.086
  110   HG22  VAL  14          HG22      VAL  14   6.812   3.956  -0.466
  111   HG23  VAL  14          HG23      VAL  14   6.868   2.181  -0.613
  112    H    ASP  15           H        ASP  15   4.722   2.948   3.432
  113    HA   ASP  15           HA       ASP  15   2.378   1.401   2.956
  114    HB2  ASP  15           HB2      ASP  15   2.749   2.937   4.879
  115    HB3  ASP  15           HB3      ASP  15   2.686   4.316   3.774
  116    H    ASP  16           H        ASP  16   0.542   1.883   1.609
  117    HA   ASP  16           HA       ASP  16   1.247   2.699  -1.033
  118    HB2  ASP  16           HB2      ASP  16  -1.445   2.212   0.280
  119    HB3  ASP  16           HB3      ASP  16  -1.213   2.491  -1.454
  120    H    SER  17           H        SER  17   0.356   4.600   1.703
  121    HA   SER  17           HA       SER  17  -0.962   6.727   0.260
  122    HB2  SER  17           HB2      SER  17  -1.324   6.305   2.656
  123    HB3  SER  17           HB3      SER  17   0.389   6.650   2.983
  124    HG   SER  17           HG       SER  17  -1.566   8.430   1.958
  125    H    LYS  18           H        LYS  18   2.316   5.717   0.461
  126    HA   LYS  18           HA       LYS  18   3.568   8.319   0.411
  127    HB2  LYS  18           HB2      LYS  18   4.538   5.523  -0.271
  128    HB3  LYS  18           HB3      LYS  18   5.584   6.959  -0.246
  129    HG2  LYS  18           HG2      LYS  18   3.936   6.071   2.153
  130    HG3  LYS  18           HG3      LYS  18   5.625   5.594   1.864
  131    HD2  LYS  18           HD2      LYS  18   6.212   8.042   1.668
  132    HD3  LYS  18           HD3      LYS  18   4.574   8.426   2.242
  133    HE2  LYS  18           HE2      LYS  18   6.560   6.647   3.717
  134    HE3  LYS  18           HE3      LYS  18   6.357   8.373   4.030
  135    HZ1  LYS  18           HZ1      LYS  18   5.057   7.027   5.544
  136    HZ2  LYS  18           HZ2      LYS  18   4.064   7.940   4.602
  137    HZ3  LYS  18           HZ3      LYS  18   4.242   6.333   4.300
  138    H    VAL  19           H        VAL  19   1.822   6.568  -1.969
  139    HA   VAL  19           HA       VAL  19   2.946   8.311  -4.080
  140    HB   VAL  19           HB       VAL  19   2.616   5.307  -4.398
  141   HG11  VAL  19          HG11      VAL  19   3.746   5.725  -6.577
  142   HG12  VAL  19          HG12      VAL  19   2.183   6.556  -6.472
  143   HG13  VAL  19          HG13      VAL  19   3.696   7.471  -6.254
  144   HG21  VAL  19          HG21      VAL  19   4.580   5.767  -3.022
  145   HG22  VAL  19          HG22      VAL  19   5.091   5.301  -4.660
  146   HG23  VAL  19          HG23      VAL  19   5.132   7.008  -4.178
  147    H    GLY  20           H        GLY  20   1.408   9.152  -5.393
  148    HA2  GLY  20           HA2      GLY  20  -1.391   8.266  -4.965
  149    HA3  GLY  20           HA3      GLY  20  -0.870   9.791  -5.685
  150    HA   PRO  21           HA       PRO  21  -2.013   6.715  -9.035
  151    HB2  PRO  21           HB2      PRO  21  -4.071   8.153 -10.158
  152    HB3  PRO  21           HB3      PRO  21  -4.295   7.018  -8.789
  153    HG2  PRO  21           HG2      PRO  21  -4.043  10.031  -8.709
  154    HG3  PRO  21           HG3      PRO  21  -5.165   8.979  -7.789
  155    HD2  PRO  21           HD2      PRO  21  -2.819   9.984  -6.741
  156    HD3  PRO  21           HD3      PRO  21  -3.515   8.422  -6.227
  157    H    ASP  22           H        ASP  22  -1.145  10.057  -8.699
  158    HA   ASP  22           HA       ASP  22  -0.383  10.265 -11.542
  159    HB2  ASP  22           HB2      ASP  22   0.082  12.670 -10.936
  160    HB3  ASP  22           HB3      ASP  22  -1.606  12.144 -10.875
  161    H    GLY  23           H        GLY  23   0.962   8.966  -8.879
  162    HA2  GLY  23           HA2      GLY  23   3.142   8.228  -8.612
  163    HA3  GLY  23           HA3      GLY  23   3.680   9.300  -9.910
  164    H    ARG  24           H        ARG  24   5.144   9.008  -7.559
  165    HA   ARG  24           HA       ARG  24   5.205  11.754  -6.551
  166    HB2  ARG  24           HB2      ARG  24   3.488  10.254  -5.213
  167    HB3  ARG  24           HB3      ARG  24   4.936   9.559  -4.484
  168    HG2  ARG  24           HG2      ARG  24   4.328  12.551  -4.538
  169    HG3  ARG  24           HG3      ARG  24   3.821  11.465  -3.229
  170    HD2  ARG  24           HD2      ARG  24   6.241  10.811  -2.931
  171    HD3  ARG  24           HD3      ARG  24   6.670  12.126  -4.051
  172    HE   ARG  24           HE       ARG  24   5.051  13.330  -2.157
  173   HH11  ARG  24          HH11      ARG  24   8.063  11.483  -2.111
  174   HH12  ARG  24          HH12      ARG  24   8.658  12.263  -0.663
  175   HH21  ARG  24          HH21      ARG  24   5.846  14.332  -0.273
  176   HH22  ARG  24          HH22      ARG  24   7.406  13.877   0.371
  177    H    VAL  25           H        VAL  25   7.306  12.276  -5.977
  178    HA   VAL  25           HA       VAL  25   9.378  10.432  -6.683
  179    HB   VAL  25           HB       VAL  25   9.462  12.928  -6.918
  180   HG11  VAL  25          HG11      VAL  25  10.048  12.828  -3.928
  181   HG12  VAL  25          HG12      VAL  25  10.126  14.263  -4.971
  182   HG13  VAL  25          HG13      VAL  25   8.559  13.470  -4.660
  183   HG21  VAL  25          HG21      VAL  25  11.737  11.696  -5.313
  184   HG22  VAL  25          HG22      VAL  25  11.490  11.496  -7.062
  185   HG23  VAL  25          HG23      VAL  25  11.840  13.105  -6.386
  186    H    VAL  26           H        VAL  26  11.004   9.471  -5.440
  187    HA   VAL  26           HA       VAL  26  10.565   9.324  -2.517
  188    HB   VAL  26           HB       VAL  26  10.673   6.938  -2.474
  189   HG11  VAL  26          HG11      VAL  26   8.760   7.705  -4.719
  190   HG12  VAL  26          HG12      VAL  26   8.650   6.282  -3.666
  191   HG13  VAL  26          HG13      VAL  26   8.430   7.908  -2.982
  192   HG21  VAL  26          HG21      VAL  26  12.287   6.608  -4.322
  193   HG22  VAL  26          HG22      VAL  26  10.865   5.567  -4.500
  194   HG23  VAL  26          HG23      VAL  26  11.020   7.033  -5.497
  195    H    ARG  27           H        ARG  27  12.477   8.009  -1.512
  196    HA   ARG  27           HA       ARG  27  14.987   8.564  -2.994
  197    HB2  ARG  27           HB2      ARG  27  15.983   9.602  -1.021
  198    HB3  ARG  27           HB3      ARG  27  14.556  10.515  -1.548
  199    HG2  ARG  27           HG2      ARG  27  13.195   9.406   0.207
  200    HG3  ARG  27           HG3      ARG  27  14.629   8.499   0.740
  201    HD2  ARG  27           HD2      ARG  27  15.799  10.644   1.200
  202    HD3  ARG  27           HD3      ARG  27  14.354  11.530   0.698
  203    HE   ARG  27           HE       ARG  27  13.257  10.916   2.684
  204   HH11  ARG  27          HH11      ARG  27  16.406   9.330   2.435
  205   HH12  ARG  27          HH12      ARG  27  16.416   8.829   4.111
  206   HH21  ARG  27          HH21      ARG  27  13.300  10.257   4.869
  207   HH22  ARG  27          HH22      ARG  27  14.670   9.363   5.486
  208    H    CYS  28           H        CYS  28  16.733   7.274  -2.436
  209    HA   CYS  28           HA       CYS  28  15.988   4.656  -1.406
  210    HB2  CYS  28           HB2      CYS  28  17.407   5.060  -3.438
  211    HB3  CYS  28           HB3      CYS  28  18.675   5.713  -2.382
  212    H    ALA  29           H        ALA  29  16.574   3.746   0.505
  213    HA   ALA  29           HA       ALA  29  17.751   5.454   2.565
  214    HB1  ALA  29           HB1      ALA  29  16.872   2.539   2.570
  215    HB2  ALA  29           HB2      ALA  29  17.312   3.493   4.006
  216    HB3  ALA  29           HB3      ALA  29  15.872   3.933   3.059
  217    H    SER  30           H        SER  30  19.025   3.490   0.085
  218    HA   SER  30           HA       SER  30  21.305   2.616   1.788
  219    HB2  SER  30           HB2      SER  30  20.021   1.398  -0.663
  220    HB3  SER  30           HB3      SER  30  21.593   0.871  -0.021
  221    HG   SER  30           HG       SER  30  20.609   0.337   1.897
  222    H    CYS  31           H        CYS  31  20.477   4.656  -0.925
  223    HA   CYS  31           HA       CYS  31  23.342   5.301  -1.108
  224    HB2  CYS  31           HB2      CYS  31  23.549   5.001  -3.469
  225    HB3  CYS  31           HB3      CYS  31  22.927   3.482  -2.779
  226    H    GLY  32           H        GLY  32  20.133   6.348  -1.017
  227    HA2  GLY  32           HA2      GLY  32  19.437   8.529  -0.762
  228    HA3  GLY  32           HA3      GLY  32  21.063   9.089  -1.189
  229    H    ASN  33           H        ASN  33  20.081   6.934  -3.580
  230    HA   ASN  33           HA       ASN  33  19.758   8.910  -5.594
  231    HB2  ASN  33           HB2      ASN  33  20.486   6.509  -5.878
  232    HB3  ASN  33           HB3      ASN  33  18.810   6.021  -5.599
  233   HD21  ASN  33          HD22      ASN  33  18.639   5.104  -7.694
  234   HD22  ASN  33          HD21      ASN  33  18.511   6.101  -9.127
  235    H    ARG  34           H        ARG  34  17.826   9.445  -6.830
  236    HA   ARG  34           HA       ARG  34  15.270   8.997  -5.379
  237    HB2  ARG  34           HB2      ARG  34  16.278  11.691  -6.363
  238    HB3  ARG  34           HB3      ARG  34  14.686  11.365  -5.647
  239    HG2  ARG  34           HG2      ARG  34  15.802  10.607  -3.553
  240    HG3  ARG  34           HG3      ARG  34  17.385  10.996  -4.259
  241    HD2  ARG  34           HD2      ARG  34  15.113  12.977  -3.808
  242    HD3  ARG  34           HD3      ARG  34  16.542  12.806  -2.777
  243    HE   ARG  34           HE       ARG  34  16.372  14.168  -5.341
  244   HH11  ARG  34          HH11      ARG  34  18.550  12.451  -3.142
  245   HH12  ARG  34          HH12      ARG  34  19.979  13.261  -3.740
  246   HH21  ARG  34          HH21      ARG  34  18.256  15.205  -6.099
  247   HH22  ARG  34          HH22      ARG  34  19.815  14.810  -5.418
  248    H    TRP  35           H        TRP  35  13.441   8.949  -6.643
  249    HA   TRP  35           HA       TRP  35  13.486   9.663  -9.466
  250    HB2  TRP  35           HB2      TRP  35  13.025   7.433 -10.308
  251    HB3  TRP  35           HB3      TRP  35  14.606   7.466  -9.527
  252    HD1  TRP  35           HD1      TRP  35  11.162   5.932  -9.259
  253    HE1  TRP  35           HE1      TRP  35  11.122   4.093  -7.495
  254    HE3  TRP  35           HE3      TRP  35  15.800   6.666  -7.226
  255    HZ2  TRP  35           HZ2      TRP  35  12.850   3.097  -5.413
  256    HZ3  TRP  35           HZ3      TRP  35  16.561   5.262  -5.333
  257    HH2  TRP  35           HH2      TRP  35  15.098   3.488  -4.414
  258    H    THR  36           H        THR  36  11.313   9.376 -10.435
  259    HA   THR  36           HA       THR  36   9.218   9.735  -8.472
  260    HB   THR  36           HB       THR  36   8.823   9.424 -11.443
  261    HG1  THR  36           HG1      THR  36   9.231  11.636 -11.556
  262   HG21  THR  36          HG21      THR  36   7.383  10.993  -9.262
  263   HG22  THR  36          HG22      THR  36   6.967  11.013 -10.993
  264   HG23  THR  36          HG23      THR  36   6.796   9.514 -10.058
  265    H    ALA  37           H        ALA  37   8.080   8.202  -7.484
  266    HA   ALA  37           HA       ALA  37   8.024   5.487  -8.622
  267    HB1  ALA  37           HB1      ALA  37   6.920   6.629  -6.026
  268    HB2  ALA  37           HB2      ALA  37   6.974   4.909  -6.469
  269    HB3  ALA  37           HB3      ALA  37   8.489   5.804  -6.214
  270    H    PHE  38           H        PHE  38   5.921   4.327  -8.745
  271    HA   PHE  38           HA       PHE  38   3.633   6.092  -9.297
  272    HB2  PHE  38           HB2      PHE  38   4.980   4.270 -11.259
  273    HB3  PHE  38           HB3      PHE  38   3.267   4.656 -11.394
  274    HD1  PHE  38           HD2      PHE  38   2.493   6.918 -11.918
  275    HD2  PHE  38           HD1      PHE  38   6.690   6.007 -11.648
  276    HE1  PHE  38           HE2      PHE  38   3.034   9.064 -13.037
  277    HE2  PHE  38           HE1      PHE  38   7.224   8.151 -12.778
  278    HZ   PHE  38           HZ       PHE  38   5.396   9.680 -13.465
  279    H    LYS  39           H        LYS  39   1.647   4.719  -9.972
  280    HA   LYS  39           HA       LYS  39   1.456   2.384  -8.137
  281    HB2  LYS  39           HB2      LYS  39   0.685   4.274  -6.878
  282    HB3  LYS  39           HB3      LYS  39  -0.322   4.848  -8.224
  283    HG2  LYS  39           HG2      LYS  39  -1.805   2.959  -8.040
  284    HG3  LYS  39           HG3      LYS  39  -0.721   2.145  -6.889
  285    HD2  LYS  39           HD2      LYS  39  -2.094   4.809  -6.361
  286    HD3  LYS  39           HD3      LYS  39  -2.707   3.229  -5.815
  287    HE2  LYS  39           HE2      LYS  39  -0.519   2.851  -4.639
  288    HE3  LYS  39           HE3      LYS  39  -0.029   4.494  -5.076
  289    HZ1  LYS  39           HZ1      LYS  39  -2.363   3.793  -3.430
  290    HZ2  LYS  39           HZ2      LYS  39  -0.953   4.447  -2.888
  291    HZ3  LYS  39           HZ3      LYS  39  -1.928   5.321  -3.867
  292    H    ASP  40           H        ASP  40  -0.242   0.926  -8.634
  293    HA   ASP  40           HA       ASP  40  -1.685   1.286 -11.189
  294    HB2  ASP  40           HB2      ASP  40   0.552   0.290 -11.738
  295    HB3  ASP  40           HB3      ASP  40   0.201  -1.046 -10.635
  296    H    GLU  41           H        GLU  41  -1.311   0.004  -8.001
  297    HA   GLU  41           HA       GLU  41  -3.243  -2.116  -8.127
  298    HB2  GLU  41           HB2      GLU  41  -2.171  -0.435  -5.817
  299    HB3  GLU  41           HB3      GLU  41  -3.192  -1.866  -5.640
  300    HG2  GLU  41           HG2      GLU  41  -1.053  -2.749  -5.357
  301    HG3  GLU  41           HG3      GLU  41  -1.383  -3.097  -7.054
  302    H    ALA  42           H        ALA  42  -3.507   1.353  -8.029
  303    HA   ALA  42           HA       ALA  42  -6.404   1.202  -7.883
  304    HB1  ALA  42           HB1      ALA  42  -4.857   2.581  -5.645
  305    HB2  ALA  42           HB2      ALA  42  -6.624   2.552  -5.847
  306    HB3  ALA  42           HB3      ALA  42  -5.742   1.049  -5.486
  307    H    GLU  43           H        GLU  43  -4.466   2.093  -9.830
  308    HA   GLU  43           HA       GLU  43  -4.000   4.893  -9.766
  309    HB2  GLU  43           HB2      GLU  43  -2.806   3.331 -11.222
  310    HB3  GLU  43           HB3      GLU  43  -4.307   2.965 -12.098
  311    HG2  GLU  43           HG2      GLU  43  -4.459   5.290 -12.872
  312    HG3  GLU  43           HG3      GLU  43  -3.021   5.722 -11.928
  313    H    LEU  44           H        LEU  44  -6.908   3.064 -10.357
  314    HA   LEU  44           HA       LEU  44  -8.268   5.057 -11.954
  315    HB2  LEU  44           HB2      LEU  44  -9.340   2.755 -10.276
  316    HB3  LEU  44           HB3      LEU  44 -10.257   3.661 -11.493
  317    HG   LEU  44           HG       LEU  44  -7.760   1.995 -12.040
  318   HD11  LEU  44          HD11      LEU  44 -10.699   1.511 -12.671
  319   HD12  LEU  44          HD12      LEU  44  -9.340   0.480 -13.174
  320   HD13  LEU  44          HD13      LEU  44  -9.737   0.646 -11.450
  321   HD21  LEU  44          HD21      LEU  44  -7.967   3.871 -13.633
  322   HD22  LEU  44          HD22      LEU  44  -8.402   2.350 -14.433
  323   HD23  LEU  44          HD23      LEU  44  -9.676   3.469 -13.907
  324    H    GLU  45           H        GLU  45  -7.266   5.122  -8.759
  325    HA   GLU  45           HA       GLU  45  -7.779   6.378  -6.959
  326    HB2  GLU  45           HB2      GLU  45  -7.504   8.075  -8.852
  327    HB3  GLU  45           HB3      GLU  45  -9.273   8.229  -8.835
  328    HG2  GLU  45           HG2      GLU  45  -9.165   8.848  -6.413
  329    HG3  GLU  45           HG3      GLU  45  -7.404   8.675  -6.466
  330    H    LEU  46           H        LEU  46  -9.652   4.215  -7.682
  331    HA   LEU  46           HA       LEU  46 -12.307   5.156  -6.937
  332    HB2  LEU  46           HB2      LEU  46 -11.134   2.354  -7.179
  333    HB3  LEU  46           HB3      LEU  46 -12.851   2.725  -6.944
  334    HG   LEU  46           HG       LEU  46 -11.191   3.676  -9.317
  335   HD11  LEU  46          HD11      LEU  46 -13.240   1.431  -9.106
  336   HD12  LEU  46          HD12      LEU  46 -12.435   1.980 -10.596
  337   HD13  LEU  46          HD13      LEU  46 -11.487   1.218  -9.300
  338   HD21  LEU  46          HD21      LEU  46 -13.105   5.151  -8.834
  339   HD22  LEU  46          HD22      LEU  46 -13.418   4.195 -10.294
  340   HD23  LEU  46          HD23      LEU  46 -14.186   3.739  -8.756
  341    H    VAL  47           H        VAL  47  -9.594   5.045  -5.132
  342    HA   VAL  47           HA       VAL  47 -10.348   3.511  -2.863
  343    HB   VAL  47           HB       VAL  47  -8.504   4.554  -1.747
  344   HG11  VAL  47          HG11      VAL  47  -7.837   4.431  -4.720
  345   HG12  VAL  47          HG12      VAL  47  -6.710   4.229  -3.362
  346   HG13  VAL  47          HG13      VAL  47  -7.975   3.015  -3.649
  347   HG21  VAL  47          HG21      VAL  47  -9.020   6.921  -2.228
  348   HG22  VAL  47          HG22      VAL  47  -7.350   6.536  -2.678
  349   HG23  VAL  47          HG23      VAL  47  -8.596   6.671  -3.941
  350    HA   PRO  48           HA       PRO  48 -13.304   5.853  -0.686
  351    HB2  PRO  48           HB2      PRO  48 -11.598   5.702   1.771
  352    HB3  PRO  48           HB3      PRO  48 -13.293   5.169   1.535
  353    HG2  PRO  48           HG2      PRO  48 -11.236   3.377   1.657
  354    HG3  PRO  48           HG3      PRO  48 -12.612   3.144   0.526
  355    HD2  PRO  48           HD2      PRO  48  -9.851   4.211  -0.054
  356    HD3  PRO  48           HD3      PRO  48 -10.869   3.092  -1.019
  357    H    ARG  49           H        ARG  49 -13.761   7.908   0.348
  358    HA   ARG  49           HA       ARG  49 -11.562   9.790   0.803
  359    HB2  ARG  49           HB2      ARG  49 -11.824   9.937  -1.636
  360    HB3  ARG  49           HB3      ARG  49 -13.572  10.174  -1.454
  361    HG2  ARG  49           HG2      ARG  49 -13.190  12.286  -0.248
  362    HG3  ARG  49           HG3      ARG  49 -11.430  12.038  -0.342
  363    HD2  ARG  49           HD2      ARG  49 -11.565  12.071  -2.816
  364    HD3  ARG  49           HD3      ARG  49 -13.313  12.323  -2.724
  365    HE   ARG  49           HE       ARG  49 -11.188  14.287  -2.105
  366   HH11  ARG  49          HH11      ARG  49 -14.634  13.505  -2.124
  367   HH12  ARG  49          HH12      ARG  49 -15.134  15.178  -2.002
  368   HH21  ARG  49          HH21      ARG  49 -11.870  16.460  -1.947
  369   HH22  ARG  49          HH22      ARG  49 -13.574  16.841  -1.899
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   1.907  -1.285  -0.626
    2    H2   MET   1           H2       MET   1   3.253  -0.523  -0.069
    3    H3   MET   1           H3       MET   1   3.136  -2.159   0.040
    4    HA   MET   1           HA       MET   1   3.204  -2.429  -2.298
    5    HB2  MET   1           HB2      MET   1   3.521  -0.496  -3.772
    6    HB3  MET   1           HB3      MET   1   2.023  -0.332  -2.836
    7    HG2  MET   1           HG2      MET   1   3.391   1.059  -1.171
    8    HG3  MET   1           HG3      MET   1   4.663   1.100  -2.401
    9    HE1  MET   1           HE1      MET   1   4.366   2.230  -4.802
   10    HE2  MET   1           HE2      MET   1   2.911   1.246  -5.106
   11    HE3  MET   1           HE3      MET   1   2.865   3.007  -5.352
   12    H    ILE   2           H        ILE   2   5.301  -1.946  -3.697
   13    HA   ILE   2           HA       ILE   2   7.577  -1.470  -1.861
   14    HB   ILE   2           HB       ILE   2   6.770  -3.978  -2.194
   15   HG12  ILE   2          HG12      ILE   2   9.721  -3.377  -2.469
   16   HG13  ILE   2          HG13      ILE   2   8.802  -2.969  -0.999
   17   HG21  ILE   2          HG21      ILE   2   8.665  -3.605  -4.558
   18   HG22  ILE   2          HG22      ILE   2   7.924  -5.128  -4.012
   19   HG23  ILE   2          HG23      ILE   2   6.911  -3.848  -4.710
   20   HD11  ILE   2          HD11      ILE   2   9.874  -5.167  -0.769
   21   HD12  ILE   2          HD12      ILE   2   8.103  -5.295  -0.728
   22   HD13  ILE   2          HD13      ILE   2   8.998  -5.761  -2.201
   23    H    LEU   3           H        LEU   3   9.539  -0.925  -2.915
   24    HA   LEU   3           HA       LEU   3   9.296  -0.175  -5.786
   25    HB2  LEU   3           HB2      LEU   3  10.265   1.564  -3.480
   26    HB3  LEU   3           HB3      LEU   3  10.444   1.977  -5.192
   27    HG   LEU   3           HG       LEU   3   7.751   1.456  -3.853
   28   HD11  LEU   3          HD11      LEU   3   7.500   3.910  -3.892
   29   HD12  LEU   3          HD12      LEU   3   8.872   3.425  -2.866
   30   HD13  LEU   3          HD13      LEU   3   9.167   4.074  -4.497
   31   HD21  LEU   3          HD21      LEU   3   7.767   1.134  -6.302
   32   HD22  LEU   3          HD22      LEU   3   6.895   2.620  -5.876
   33   HD23  LEU   3          HD23      LEU   3   8.554   2.718  -6.514
   34    H    THR   4           H        THR   4  11.280  -0.114  -6.931
   35    HA   THR   4           HA       THR   4  13.516  -1.419  -5.485
   36    HB   THR   4           HB       THR   4  13.158  -1.691  -8.453
   37    HG1  THR   4           HG1      THR   4  11.235  -2.401  -7.586
   38   HG21  THR   4          HG21      THR   4  14.395  -3.789  -8.040
   39   HG22  THR   4          HG22      THR   4  15.295  -2.394  -7.420
   40   HG23  THR   4          HG23      THR   4  14.401  -3.446  -6.297
   41    H    CYS   5           H        CYS   5  15.557  -0.644  -5.578
   42    HA   CYS   5           HA       CYS   5  15.871   2.079  -6.526
   43    HB2  CYS   5           HB2      CYS   5  16.936   1.288  -4.461
   44    HB3  CYS   5           HB3      CYS   5  17.863   0.088  -5.394
   45    HA   PRO   6           HA       PRO   6  17.318   0.972 -10.621
   46    HB2  PRO   6           HB2      PRO   6  18.589   3.667 -10.549
   47    HB3  PRO   6           HB3      PRO   6  17.427   3.000 -11.738
   48    HG2  PRO   6           HG2      PRO   6  16.681   4.873  -9.887
   49    HG3  PRO   6           HG3      PRO   6  15.583   3.545 -10.391
   50    HD2  PRO   6           HD2      PRO   6  17.259   3.747  -7.898
   51    HD3  PRO   6           HD3      PRO   6  15.583   3.141  -8.113
   52    H    GLU   7           H        GLU   7  19.265   1.948  -7.881
   53    HA   GLU   7           HA       GLU   7  21.762   1.239  -9.352
   54    HB2  GLU   7           HB2      GLU   7  21.381   2.901  -6.835
   55    HB3  GLU   7           HB3      GLU   7  22.919   2.606  -7.656
   56    HG2  GLU   7           HG2      GLU   7  20.514   4.039  -8.871
   57    HG3  GLU   7           HG3      GLU   7  21.937   4.836  -8.198
   58    H    CYS   8           H        CYS   8  20.024   0.783  -6.216
   59    HA   CYS   8           HA       CYS   8  22.028  -1.148  -5.322
   60    HB2  CYS   8           HB2      CYS   8  19.285  -0.459  -4.183
   61    HB3  CYS   8           HB3      CYS   8  20.519  -1.462  -3.407
   62    H    ALA   9           H        ALA   9  19.215  -1.199  -7.321
   63    HA   ALA   9           HA       ALA   9  17.955  -2.838  -8.237
   64    HB1  ALA   9           HB1      ALA   9  20.470  -4.509  -7.827
   65    HB2  ALA   9           HB2      ALA   9  19.145  -4.849  -8.968
   66    HB3  ALA   9           HB3      ALA   9  20.164  -3.415  -9.195
   67    H    SER  10           H        SER  10  17.625  -2.429  -5.430
   68    HA   SER  10           HA       SER  10  16.807  -5.152  -4.555
   69    HB2  SER  10           HB2      SER  10  18.953  -4.438  -3.496
   70    HB3  SER  10           HB3      SER  10  18.115  -3.025  -2.823
   71    HG   SER  10           HG       SER  10  17.548  -5.763  -2.325
   72    H    ARG  11           H        ARG  11  14.962  -5.216  -3.229
   73    HA   ARG  11           HA       ARG  11  13.128  -2.983  -3.747
   74    HB2  ARG  11           HB2      ARG  11  12.728  -5.774  -2.612
   75    HB3  ARG  11           HB3      ARG  11  11.423  -4.600  -2.873
   76    HG2  ARG  11           HG2      ARG  11  12.049  -4.472  -5.286
   77    HG3  ARG  11           HG3      ARG  11  13.271  -5.738  -5.016
   78    HD2  ARG  11           HD2      ARG  11  11.506  -7.282  -4.254
   79    HD3  ARG  11           HD3      ARG  11  10.286  -6.018  -4.480
   80    HE   ARG  11           HE       ARG  11  10.999  -6.032  -6.929
   81   HH11  ARG  11          HH11      ARG  11  11.244  -8.905  -4.871
   82   HH12  ARG  11          HH12      ARG  11  11.126 -10.016  -6.217
   83   HH21  ARG  11          HH21      ARG  11  10.858  -7.514  -8.660
   84   HH22  ARG  11          HH22      ARG  11  10.905  -9.235  -8.346
   85    H    TYR  12           H        TYR  12  11.815  -1.984  -2.164
   86    HA   TYR  12           HA       TYR  12  12.282  -2.567   0.671
   87    HB2  TYR  12           HB2      TYR  12  12.893  -0.310   1.260
   88    HB3  TYR  12           HB3      TYR  12  14.062  -0.903   0.078
   89    HD1  TYR  12           HD2      TYR  12  14.044  -0.034  -2.249
   90    HD2  TYR  12           HD1      TYR  12  11.440   1.552   0.782
   91    HE1  TYR  12           HE2      TYR  12  13.655   1.983  -3.644
   92    HE2  TYR  12           HE1      TYR  12  11.047   3.573  -0.605
   93    HH   TYR  12           HH       TYR  12  12.631   4.026  -3.786
   94    H    PHE  13           H        PHE  13  10.458  -1.933   1.899
   95    HA   PHE  13           HA       PHE  13   8.146  -1.372   0.168
   96    HB2  PHE  13           HB2      PHE  13   6.847  -2.348   2.136
   97    HB3  PHE  13           HB3      PHE  13   7.801  -3.406   1.102
   98    HD1  PHE  13           HD1      PHE  13   7.671  -1.810   4.440
   99    HD2  PHE  13           HD2      PHE  13   9.715  -4.615   1.895
  100    HE1  PHE  13           HE1      PHE  13   8.913  -2.682   6.399
  101    HE2  PHE  13           HE2      PHE  13  10.950  -5.490   3.859
  102    HZ   PHE  13           HZ       PHE  13  10.550  -4.525   6.114
  103    H    VAL  14           H        VAL  14   6.409  -0.083   0.669
  104    HA   VAL  14           HA       VAL  14   6.711   1.864   2.859
  105    HB   VAL  14           HB       VAL  14   6.425   3.770   1.394
  106   HG11  VAL  14          HG11      VAL  14   8.706   2.048   0.348
  107   HG12  VAL  14          HG12      VAL  14   8.592   3.820   0.268
  108   HG13  VAL  14          HG13      VAL  14   8.749   3.012   1.843
  109   HG21  VAL  14          HG21      VAL  14   6.562   1.776  -0.900
  110   HG22  VAL  14          HG22      VAL  14   5.123   2.708  -0.403
  111   HG23  VAL  14          HG23      VAL  14   6.544   3.544  -1.068
  112    H    ASP  15           H        ASP  15   4.707   3.144   3.160
  113    HA   ASP  15           HA       ASP  15   2.387   1.498   2.983
  114    HB2  ASP  15           HB2      ASP  15   2.729   4.444   3.625
  115    HB3  ASP  15           HB3      ASP  15   1.205   3.562   3.779
  116    H    ASP  16           H        ASP  16   0.412   1.821   1.823
  117    HA   ASP  16           HA       ASP  16   0.868   2.385  -0.947
  118    HB2  ASP  16           HB2      ASP  16  -1.672   1.889   0.639
  119    HB3  ASP  16           HB3      ASP  16  -1.618   2.048  -1.123
  120    H    SER  17           H        SER  17   0.095   4.480   1.668
  121    HA   SER  17           HA       SER  17  -1.236   6.481  -0.017
  122    HB2  SER  17           HB2      SER  17  -1.286   7.798   2.067
  123    HB3  SER  17           HB3      SER  17  -1.887   6.149   2.337
  124    HG   SER  17           HG       SER  17  -0.377   6.831   3.939
  125    H    LYS  18           H        LYS  18   1.994   5.504   0.521
  126    HA   LYS  18           HA       LYS  18   3.218   8.123   0.564
  127    HB2  LYS  18           HB2      LYS  18   4.182   6.064   1.600
  128    HB3  LYS  18           HB3      LYS  18   4.333   5.345  -0.012
  129    HG2  LYS  18           HG2      LYS  18   6.467   6.254   0.771
  130    HG3  LYS  18           HG3      LYS  18   5.906   7.099  -0.684
  131    HD2  LYS  18           HD2      LYS  18   5.151   9.003   0.643
  132    HD3  LYS  18           HD3      LYS  18   5.440   8.120   2.153
  133    HE2  LYS  18           HE2      LYS  18   7.245   9.725   1.715
  134    HE3  LYS  18           HE3      LYS  18   7.854   8.065   1.692
  135    HZ1  LYS  18           HZ1      LYS  18   7.177   9.644  -0.696
  136    HZ2  LYS  18           HZ2      LYS  18   8.698   9.352  -0.138
  137    HZ3  LYS  18           HZ3      LYS  18   7.773   8.109  -0.692
  138    H    VAL  19           H        VAL  19   1.794   6.169  -1.870
  139    HA   VAL  19           HA       VAL  19   2.985   7.852  -3.987
  140    HB   VAL  19           HB       VAL  19   2.794   4.843  -4.233
  141   HG11  VAL  19          HG11      VAL  19   2.660   6.068  -6.360
  142   HG12  VAL  19          HG12      VAL  19   4.126   6.990  -5.939
  143   HG13  VAL  19          HG13      VAL  19   4.224   5.237  -6.226
  144   HG21  VAL  19          HG21      VAL  19   5.276   4.844  -4.127
  145   HG22  VAL  19          HG22      VAL  19   5.237   6.561  -3.661
  146   HG23  VAL  19          HG23      VAL  19   4.532   5.319  -2.591
  147    H    GLY  20           H        GLY  20   1.623   8.236  -5.751
  148    HA2  GLY  20           HA2      GLY  20  -1.104   7.019  -5.591
  149    HA3  GLY  20           HA3      GLY  20  -0.858   8.749  -5.855
  150    HA   PRO  21           HA       PRO  21  -0.975   6.415  -9.930
  151    HB2  PRO  21           HB2      PRO  21  -3.262   7.555 -10.949
  152    HB3  PRO  21           HB3      PRO  21  -3.268   6.098  -9.900
  153    HG2  PRO  21           HG2      PRO  21  -3.795   8.980  -9.139
  154    HG3  PRO  21           HG3      PRO  21  -4.678   7.507  -8.619
  155    HD2  PRO  21           HD2      PRO  21  -2.737   8.745  -7.097
  156    HD3  PRO  21           HD3      PRO  21  -3.051   6.985  -7.016
  157    H    ASP  22           H        ASP  22  -1.208   9.726  -8.807
  158    HA   ASP  22           HA       ASP  22  -0.375  10.858 -11.371
  159    HB2  ASP  22           HB2      ASP  22  -0.278  12.995 -10.021
  160    HB3  ASP  22           HB3      ASP  22  -1.857  12.227 -10.181
  161    H    GLY  23           H        GLY  23   1.180   9.111  -9.046
  162    HA2  GLY  23           HA2      GLY  23   3.416   8.622  -8.898
  163    HA3  GLY  23           HA3      GLY  23   3.810   9.983  -9.960
  164    H    ARG  24           H        ARG  24   5.206   9.258  -7.560
  165    HA   ARG  24           HA       ARG  24   5.117  11.821  -6.152
  166    HB2  ARG  24           HB2      ARG  24   3.442  10.041  -5.117
  167    HB3  ARG  24           HB3      ARG  24   4.920   9.324  -4.458
  168    HG2  ARG  24           HG2      ARG  24   4.183  12.257  -4.085
  169    HG3  ARG  24           HG3      ARG  24   3.639  10.984  -2.983
  170    HD2  ARG  24           HD2      ARG  24   6.033  10.346  -2.609
  171    HD3  ARG  24           HD3      ARG  24   6.519  11.754  -3.569
  172    HE   ARG  24           HE       ARG  24   4.682  12.428  -1.421
  173   HH11  ARG  24          HH11      ARG  24   8.080  11.819  -2.206
  174   HH12  ARG  24          HH12      ARG  24   8.676  12.828  -0.908
  175   HH21  ARG  24          HH21      ARG  24   5.498  13.716   0.277
  176   HH22  ARG  24          HH22      ARG  24   7.222  13.895   0.492
  177    H    VAL  25           H        VAL  25   7.189  12.352  -5.528
  178    HA   VAL  25           HA       VAL  25   9.313  10.663  -6.463
  179    HB   VAL  25           HB       VAL  25   9.270  13.182  -6.471
  180   HG11  VAL  25          HG11      VAL  25  10.079  12.799  -3.560
  181   HG12  VAL  25          HG12      VAL  25  10.037  14.336  -4.458
  182   HG13  VAL  25          HG13      VAL  25   8.522  13.467  -4.115
  183   HG21  VAL  25          HG21      VAL  25  11.681  11.849  -5.169
  184   HG22  VAL  25          HG22      VAL  25  11.315  11.855  -6.912
  185   HG23  VAL  25          HG23      VAL  25  11.673  13.382  -6.072
  186    H    VAL  26           H        VAL  26  10.968   9.610  -5.369
  187    HA   VAL  26           HA       VAL  26  10.684   9.240  -2.453
  188    HB   VAL  26           HB       VAL  26  10.824   6.839  -2.624
  189   HG11  VAL  26          HG11      VAL  26   8.660   7.809  -4.536
  190   HG12  VAL  26          HG12      VAL  26   8.651   6.308  -3.591
  191   HG13  VAL  26          HG13      VAL  26   8.559   7.877  -2.760
  192   HG21  VAL  26          HG21      VAL  26  10.732   5.671  -4.796
  193   HG22  VAL  26          HG22      VAL  26  10.806   7.233  -5.646
  194   HG23  VAL  26          HG23      VAL  26  12.191   6.678  -4.683
  195    H    ARG  27           H        ARG  27  12.658   8.030  -1.573
  196    HA   ARG  27           HA       ARG  27  15.039   8.450  -3.268
  197    HB2  ARG  27           HB2      ARG  27  16.207   9.717  -1.591
  198    HB3  ARG  27           HB3      ARG  27  14.681  10.525  -1.969
  199    HG2  ARG  27           HG2      ARG  27  14.669  10.667   0.333
  200    HG3  ARG  27           HG3      ARG  27  13.778   9.145   0.122
  201    HD2  ARG  27           HD2      ARG  27  15.852   7.862   0.523
  202    HD3  ARG  27           HD3      ARG  27  16.783   9.369   0.603
  203    HE   ARG  27           HE       ARG  27  14.610   9.319   2.524
  204   HH11  ARG  27          HH11      ARG  27  17.881   8.165   1.880
  205   HH12  ARG  27          HH12      ARG  27  18.318   8.060   3.567
  206   HH21  ARG  27          HH21      ARG  27  15.187   9.170   4.732
  207   HH22  ARG  27          HH22      ARG  27  16.775   8.607   5.190
  208    H    CYS  28           H        CYS  28  16.846   7.224  -2.692
  209    HA   CYS  28           HA       CYS  28  16.133   4.669  -1.511
  210    HB2  CYS  28           HB2      CYS  28  17.514   4.996  -3.572
  211    HB3  CYS  28           HB3      CYS  28  18.799   5.700  -2.571
  212    H    ALA  29           H        ALA  29  16.743   3.850   0.440
  213    HA   ALA  29           HA       ALA  29  18.020   5.620   2.385
  214    HB1  ALA  29           HB1      ALA  29  17.593   3.752   3.932
  215    HB2  ALA  29           HB2      ALA  29  16.127   4.125   2.998
  216    HB3  ALA  29           HB3      ALA  29  17.121   2.713   2.568
  217    H    SER  30           H        SER  30  19.160   3.512  -0.048
  218    HA   SER  30           HA       SER  30  21.481   2.654   1.605
  219    HB2  SER  30           HB2      SER  30  20.138   1.426  -0.818
  220    HB3  SER  30           HB3      SER  30  21.697   0.876  -0.166
  221    HG   SER  30           HG       SER  30  19.220   0.986   1.219
  222    H    CYS  31           H        CYS  31  20.633   4.630  -1.177
  223    HA   CYS  31           HA       CYS  31  23.507   5.228  -1.398
  224    HB2  CYS  31           HB2      CYS  31  23.659   4.898  -3.759
  225    HB3  CYS  31           HB3      CYS  31  23.043   3.400  -3.033
  226    H    GLY  32           H        GLY  32  20.367   6.361  -1.157
  227    HA2  GLY  32           HA2      GLY  32  19.730   8.553  -0.910
  228    HA3  GLY  32           HA3      GLY  32  21.353   9.069  -1.405
  229    H    ASN  33           H        ASN  33  20.160   6.923  -3.727
  230    HA   ASN  33           HA       ASN  33  19.897   8.872  -5.764
  231    HB2  ASN  33           HB2      ASN  33  20.394   6.414  -6.012
  232    HB3  ASN  33           HB3      ASN  33  18.697   6.076  -5.649
  233   HD21  ASN  33          HD22      ASN  33  18.502   5.073  -7.748
  234   HD22  ASN  33          HD21      ASN  33  18.348   6.051  -9.191
  235    H    ARG  34           H        ARG  34  17.979   9.581  -6.914
  236    HA   ARG  34           HA       ARG  34  15.439   9.377  -5.383
  237    HB2  ARG  34           HB2      ARG  34  16.534  11.395  -4.590
  238    HB3  ARG  34           HB3      ARG  34  16.819  11.945  -6.251
  239    HG2  ARG  34           HG2      ARG  34  14.375  12.088  -6.638
  240    HG3  ARG  34           HG3      ARG  34  14.078  11.523  -4.978
  241    HD2  ARG  34           HD2      ARG  34  15.596  14.050  -5.751
  242    HD3  ARG  34           HD3      ARG  34  13.920  13.999  -5.190
  243    HE   ARG  34           HE       ARG  34  16.367  13.565  -3.576
  244   HH11  ARG  34          HH11      ARG  34  12.835  13.559  -3.736
  245   HH12  ARG  34          HH12      ARG  34  12.638  13.602  -1.999
  246   HH21  ARG  34          HH21      ARG  34  16.083  13.632  -1.309
  247   HH22  ARG  34          HH22      ARG  34  14.472  13.656  -0.632
  248    H    TRP  35           H        TRP  35  13.642   9.246  -6.612
  249    HA   TRP  35           HA       TRP  35  13.578  10.160  -9.378
  250    HB2  TRP  35           HB2      TRP  35  13.244   8.004 -10.393
  251    HB3  TRP  35           HB3      TRP  35  14.786   7.974  -9.551
  252    HD1  TRP  35           HD1      TRP  35  11.381   6.366  -9.621
  253    HE1  TRP  35           HE1      TRP  35  11.265   4.392  -8.019
  254    HE3  TRP  35           HE3      TRP  35  15.806   7.079  -7.149
  255    HZ2  TRP  35           HZ2      TRP  35  12.865   3.272  -5.887
  256    HZ3  TRP  35           HZ3      TRP  35  16.460   5.556  -5.314
  257    HH2  TRP  35           HH2      TRP  35  14.998   3.656  -4.670
  258    H    THR  36           H        THR  36  11.381   9.763 -10.318
  259    HA   THR  36           HA       THR  36   9.360   9.955  -8.229
  260    HB   THR  36           HB       THR  36   8.771   9.953 -11.174
  261    HG1  THR  36           HG1      THR  36   9.238  12.148 -11.129
  262   HG21  THR  36          HG21      THR  36   7.007  11.516 -10.429
  263   HG22  THR  36          HG22      THR  36   6.883   9.962  -9.583
  264   HG23  THR  36          HG23      THR  36   7.580  11.375  -8.751
  265    H    ALA  37           H        ALA  37   8.233   8.347  -7.380
  266    HA   ALA  37           HA       ALA  37   8.082   5.760  -8.809
  267    HB1  ALA  37           HB1      ALA  37   7.201   4.931  -6.665
  268    HB2  ALA  37           HB2      ALA  37   8.742   5.789  -6.420
  269    HB3  ALA  37           HB3      ALA  37   7.203   6.586  -6.010
  270    H    PHE  38           H        PHE  38   5.922   4.645  -8.813
  271    HA   PHE  38           HA       PHE  38   3.605   6.405  -8.697
  272    HB2  PHE  38           HB2      PHE  38   2.918   5.669 -11.057
  273    HB3  PHE  38           HB3      PHE  38   4.072   6.990 -10.844
  274    HD1  PHE  38           HD1      PHE  38   3.742   3.429 -11.822
  275    HD2  PHE  38           HD2      PHE  38   6.339   6.851 -11.583
  276    HE1  PHE  38           HE1      PHE  38   5.389   2.283 -13.281
  277    HE2  PHE  38           HE2      PHE  38   7.994   5.694 -13.031
  278    HZ   PHE  38           HZ       PHE  38   7.525   3.408 -13.869
  279    H    LYS  39           H        LYS  39   1.537   5.376  -8.912
  280    HA   LYS  39           HA       LYS  39   1.464   2.892  -7.498
  281    HB2  LYS  39           HB2      LYS  39  -0.248   4.743  -7.403
  282    HB3  LYS  39           HB3      LYS  39  -0.750   4.305  -9.043
  283    HG2  LYS  39           HG2      LYS  39  -2.271   3.283  -7.455
  284    HG3  LYS  39           HG3      LYS  39  -1.332   2.021  -8.260
  285    HD2  LYS  39           HD2      LYS  39  -1.570   1.654  -5.809
  286    HD3  LYS  39           HD3      LYS  39   0.132   1.809  -6.285
  287    HE2  LYS  39           HE2      LYS  39   0.181   4.135  -5.544
  288    HE3  LYS  39           HE3      LYS  39  -1.555   4.102  -5.208
  289    HZ1  LYS  39           HZ1      LYS  39   0.469   2.474  -3.828
  290    HZ2  LYS  39           HZ2      LYS  39  -0.282   3.812  -3.221
  291    HZ3  LYS  39           HZ3      LYS  39  -1.144   2.449  -3.526
  292    H    ASP  40           H        ASP  40   0.568   0.854  -8.226
  293    HA   ASP  40           HA       ASP  40   0.491   0.387 -11.133
  294    HB2  ASP  40           HB2      ASP  40   2.890   0.248 -10.334
  295    HB3  ASP  40           HB3      ASP  40   2.412  -1.101  -9.298
  296    H    GLU  41           H        GLU  41  -1.225   0.238  -8.531
  297    HA   GLU  41           HA       GLU  41  -1.749  -2.552  -8.085
  298    HB2  GLU  41           HB2      GLU  41  -2.213  -0.855  -6.396
  299    HB3  GLU  41           HB3      GLU  41  -3.254   0.029  -7.525
  300    HG2  GLU  41           HG2      GLU  41  -4.628  -1.179  -5.943
  301    HG3  GLU  41           HG3      GLU  41  -4.848  -1.853  -7.553
  302    H    ALA  42           H        ALA  42  -2.677  -0.246 -10.529
  303    HA   ALA  42           HA       ALA  42  -4.323  -2.236 -11.894
  304    HB1  ALA  42           HB1      ALA  42  -6.292  -0.739 -12.028
  305    HB2  ALA  42           HB2      ALA  42  -5.937  -1.185 -10.340
  306    HB3  ALA  42           HB3      ALA  42  -5.481   0.421 -10.949
  307    H    GLU  43           H        GLU  43  -5.019  -1.370 -14.069
  308    HA   GLU  43           HA       GLU  43  -3.525   0.950 -15.057
  309    HB2  GLU  43           HB2      GLU  43  -1.853  -0.859 -15.127
  310    HB3  GLU  43           HB3      GLU  43  -2.968  -1.867 -16.069
  311    HG2  GLU  43           HG2      GLU  43  -2.950  -0.243 -17.899
  312    HG3  GLU  43           HG3      GLU  43  -1.937   0.859 -16.948
  313    H    LEU  44           H        LEU  44  -4.321   1.704 -17.066
  314    HA   LEU  44           HA       LEU  44  -7.085   1.112 -17.534
  315    HB2  LEU  44           HB2      LEU  44  -6.090   3.348 -17.844
  316    HB3  LEU  44           HB3      LEU  44  -5.055   2.716 -19.132
  317    HG   LEU  44           HG       LEU  44  -7.078   2.175 -20.484
  318   HD11  LEU  44          HD11      LEU  44  -8.536   3.608 -18.216
  319   HD12  LEU  44          HD12      LEU  44  -9.253   3.157 -19.780
  320   HD13  LEU  44          HD13      LEU  44  -8.713   1.892 -18.650
  321   HD21  LEU  44          HD21      LEU  44  -5.904   4.331 -20.749
  322   HD22  LEU  44          HD22      LEU  44  -7.653   4.499 -21.028
  323   HD23  LEU  44          HD23      LEU  44  -6.933   5.049 -19.492
  324    H    GLU  45           H        GLU  45  -8.085   0.181 -19.383
  325    HA   GLU  45           HA       GLU  45  -6.782  -2.159 -20.404
  326    HB2  GLU  45           HB2      GLU  45  -8.820  -2.434 -21.720
  327    HB3  GLU  45           HB3      GLU  45  -9.220  -1.964 -20.053
  328    HG2  GLU  45           HG2      GLU  45  -9.459   0.403 -20.807
  329    HG3  GLU  45           HG3      GLU  45  -9.133  -0.109 -22.473
  330    H    LEU  46           H        LEU  46  -6.470  -2.666 -22.723
  331    HA   LEU  46           HA       LEU  46  -4.844  -0.651 -23.991
  332    HB2  LEU  46           HB2      LEU  46  -5.880  -3.304 -25.065
  333    HB3  LEU  46           HB3      LEU  46  -4.563  -2.341 -25.752
  334    HG   LEU  46           HG       LEU  46  -4.574  -3.595 -22.967
  335   HD11  LEU  46          HD11      LEU  46  -4.424  -5.235 -24.809
  336   HD12  LEU  46          HD12      LEU  46  -3.065  -4.322 -25.508
  337   HD13  LEU  46          HD13      LEU  46  -2.885  -5.110 -23.921
  338   HD21  LEU  46          HD21      LEU  46  -2.414  -2.107 -24.521
  339   HD22  LEU  46          HD22      LEU  46  -3.216  -1.541 -23.037
  340   HD23  LEU  46          HD23      LEU  46  -2.161  -2.965 -22.985
  341    H    VAL  47           H        VAL  47  -5.156   0.223 -26.140
  342    HA   VAL  47           HA       VAL  47  -7.781   1.302 -26.507
  343    HB   VAL  47           HB       VAL  47  -5.454   1.346 -28.455
  344   HG11  VAL  47          HG11      VAL  47  -7.745   3.296 -27.971
  345   HG12  VAL  47          HG12      VAL  47  -6.438   3.490 -29.159
  346   HG13  VAL  47          HG13      VAL  47  -7.618   2.183 -29.351
  347   HG21  VAL  47          HG21      VAL  47  -6.071   3.184 -26.106
  348   HG22  VAL  47          HG22      VAL  47  -4.667   2.095 -26.248
  349   HG23  VAL  47          HG23      VAL  47  -4.828   3.482 -27.341
  350    HA   PRO  48           HA       PRO  48  -9.445  -2.031 -28.899
  351    HB2  PRO  48           HB2      PRO  48 -11.727  -0.825 -29.836
  352    HB3  PRO  48           HB3      PRO  48 -11.511  -1.317 -28.125
  353    HG2  PRO  48           HG2      PRO  48 -11.140   1.426 -29.354
  354    HG3  PRO  48           HG3      PRO  48 -11.978   0.986 -27.827
  355    HD2  PRO  48           HD2      PRO  48  -9.399   1.923 -27.892
  356    HD3  PRO  48           HD3      PRO  48  -9.952   0.728 -26.680
  357    H    ARG  49           H        ARG  49  -8.098   0.794 -30.191
  358    HA   ARG  49           HA       ARG  49  -8.951   0.638 -32.913
  359    HB2  ARG  49           HB2      ARG  49  -7.946   2.660 -31.996
  360    HB3  ARG  49           HB3      ARG  49  -6.456   1.793 -31.598
  361    HG2  ARG  49           HG2      ARG  49  -6.186   3.126 -33.652
  362    HG3  ARG  49           HG3      ARG  49  -6.018   1.395 -33.993
  363    HD2  ARG  49           HD2      ARG  49  -8.393   1.336 -34.757
  364    HD3  ARG  49           HD3      ARG  49  -8.525   3.072 -34.440
  365    HE   ARG  49           HE       ARG  49  -7.310   3.521 -36.374
  366   HH11  ARG  49          HH11      ARG  49  -7.128   0.068 -35.613
  367   HH12  ARG  49          HH12      ARG  49  -6.441  -0.353 -37.162
  368   HH21  ARG  49          HH21      ARG  49  -6.392   2.936 -38.375
  369   HH22  ARG  49          HH22      ARG  49  -6.012   1.262 -38.721
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   2.586  -0.913  -0.373
    2    H2   MET   1           H2       MET   1   3.978  -0.181   0.100
    3    H3   MET   1           H3       MET   1   3.821  -1.812   0.245
    4    HA   MET   1           HA       MET   1   3.757  -2.112  -2.094
    5    HB2  MET   1           HB2      MET   1   4.044  -0.217  -3.615
    6    HB3  MET   1           HB3      MET   1   2.600  -0.002  -2.610
    7    HG2  MET   1           HG2      MET   1   4.057   1.381  -1.035
    8    HG3  MET   1           HG3      MET   1   5.302   1.351  -2.291
    9    HE1  MET   1           HE1      MET   1   5.067   2.510  -4.659
   10    HE2  MET   1           HE2      MET   1   3.602   1.545  -4.964
   11    HE3  MET   1           HE3      MET   1   3.575   3.302  -5.222
   12    H    ILE   2           H        ILE   2   5.757  -1.961  -3.542
   13    HA   ILE   2           HA       ILE   2   8.175  -1.292  -1.973
   14    HB   ILE   2           HB       ILE   2   7.315  -3.773  -1.790
   15   HG12  ILE   2          HG12      ILE   2  10.223  -3.293  -2.517
   16   HG13  ILE   2          HG13      ILE   2   9.485  -2.708  -1.006
   17   HG21  ILE   2          HG21      ILE   2   8.917  -3.921  -4.380
   18   HG22  ILE   2          HG22      ILE   2   8.185  -5.273  -3.493
   19   HG23  ILE   2          HG23      ILE   2   7.142  -4.075  -4.289
   20   HD11  ILE   2          HD11      ILE   2   9.594  -5.620  -1.892
   21   HD12  ILE   2          HD12      ILE   2  10.595  -4.868  -0.628
   22   HD13  ILE   2          HD13      ILE   2   8.837  -5.008  -0.401
   23    H    LEU   3           H        LEU   3   9.989  -0.780  -3.232
   24    HA   LEU   3           HA       LEU   3   9.590  -0.758  -6.178
   25    HB2  LEU   3           HB2      LEU   3  10.687   1.562  -4.545
   26    HB3  LEU   3           HB3      LEU   3  10.481   1.488  -6.303
   27    HG   LEU   3           HG       LEU   3   7.923   0.962  -5.588
   28   HD11  LEU   3          HD11      LEU   3   7.304   2.410  -3.676
   29   HD12  LEU   3          HD12      LEU   3   8.389   1.112  -3.136
   30   HD13  LEU   3          HD13      LEU   3   9.018   2.759  -3.373
   31   HD21  LEU   3          HD21      LEU   3   7.478   3.355  -5.910
   32   HD22  LEU   3          HD22      LEU   3   9.199   3.722  -5.635
   33   HD23  LEU   3          HD23      LEU   3   8.705   2.778  -7.061
   34    H    THR   4           H        THR   4  11.498  -0.919  -7.408
   35    HA   THR   4           HA       THR   4  13.822  -1.898  -5.884
   36    HB   THR   4           HB       THR   4  13.608  -2.002  -8.878
   37    HG1  THR   4           HG1      THR   4  12.567  -3.976  -8.602
   38   HG21  THR   4          HG21      THR   4  14.886  -3.811  -6.788
   39   HG22  THR   4          HG22      THR   4  14.983  -4.011  -8.552
   40   HG23  THR   4          HG23      THR   4  15.753  -2.610  -7.778
   41    H    CYS   5           H        CYS   5  15.806  -0.978  -5.806
   42    HA   CYS   5           HA       CYS   5  16.000   1.801  -6.614
   43    HB2  CYS   5           HB2      CYS   5  16.927   1.000  -4.499
   44    HB3  CYS   5           HB3      CYS   5  18.018  -0.096  -5.383
   45    HA   PRO   6           HA       PRO   6  17.897   0.947 -10.593
   46    HB2  PRO   6           HB2      PRO   6  18.943   3.729 -10.343
   47    HB3  PRO   6           HB3      PRO   6  17.935   3.022 -11.639
   48    HG2  PRO   6           HG2      PRO   6  16.905   4.772  -9.800
   49    HG3  PRO   6           HG3      PRO   6  15.951   3.383 -10.427
   50    HD2  PRO   6           HD2      PRO   6  17.414   3.616  -7.807
   51    HD3  PRO   6           HD3      PRO   6  15.803   2.919  -8.168
   52    H    GLU   7           H        GLU   7  19.497   1.943  -7.658
   53    HA   GLU   7           HA       GLU   7  22.175   1.486  -8.908
   54    HB2  GLU   7           HB2      GLU   7  21.415   3.032  -6.401
   55    HB3  GLU   7           HB3      GLU   7  23.056   2.853  -7.051
   56    HG2  GLU   7           HG2      GLU   7  20.714   4.143  -8.525
   57    HG3  GLU   7           HG3      GLU   7  21.966   5.028  -7.643
   58    H    CYS   8           H        CYS   8  20.181   0.766  -5.987
   59    HA   CYS   8           HA       CYS   8  22.234  -1.069  -4.982
   60    HB2  CYS   8           HB2      CYS   8  19.361  -0.611  -4.058
   61    HB3  CYS   8           HB3      CYS   8  20.592  -1.559  -3.213
   62    H    ALA   9           H        ALA   9  19.666  -1.206  -7.255
   63    HA   ALA   9           HA       ALA   9  18.575  -2.882  -8.331
   64    HB1  ALA   9           HB1      ALA   9  21.143  -4.410  -7.753
   65    HB2  ALA   9           HB2      ALA   9  19.937  -4.798  -9.005
   66    HB3  ALA   9           HB3      ALA   9  20.883  -3.288  -9.104
   67    H    SER  10           H        SER  10  17.933  -2.583  -5.596
   68    HA   SER  10           HA       SER  10  17.084  -5.339  -4.903
   69    HB2  SER  10           HB2      SER  10  19.215  -4.789  -3.706
   70    HB3  SER  10           HB3      SER  10  18.406  -3.395  -2.969
   71    HG   SER  10           HG       SER  10  18.335  -5.275  -1.643
   72    H    ARG  11           H        ARG  11  15.322  -5.313  -3.281
   73    HA   ARG  11           HA       ARG  11  13.444  -3.182  -4.013
   74    HB2  ARG  11           HB2      ARG  11  13.123  -5.780  -2.472
   75    HB3  ARG  11           HB3      ARG  11  11.803  -4.649  -2.839
   76    HG2  ARG  11           HG2      ARG  11  12.363  -4.873  -5.283
   77    HG3  ARG  11           HG3      ARG  11  13.538  -6.134  -4.857
   78    HD2  ARG  11           HD2      ARG  11  10.556  -6.188  -4.214
   79    HD3  ARG  11           HD3      ARG  11  11.329  -7.073  -5.541
   80    HE   ARG  11           HE       ARG  11  11.419  -7.727  -2.676
   81   HH11  ARG  11          HH11      ARG  11  12.819  -8.279  -5.874
   82   HH12  ARG  11          HH12      ARG  11  13.509  -9.825  -5.436
   83   HH21  ARG  11          HH21      ARG  11  12.320  -9.743  -2.129
   84   HH22  ARG  11          HH22      ARG  11  13.211 -10.659  -3.318
   85    H    TYR  12           H        TYR  12  12.256  -1.933  -2.588
   86    HA   TYR  12           HA       TYR  12  12.860  -2.013   0.265
   87    HB2  TYR  12           HB2      TYR  12  14.611  -0.570  -0.279
   88    HB3  TYR  12           HB3      TYR  12  13.652   0.289  -1.488
   89    HD1  TYR  12           HD1      TYR  12  14.156  -0.183   2.155
   90    HD2  TYR  12           HD2      TYR  12  12.208   2.103  -0.922
   91    HE1  TYR  12           HE1      TYR  12  13.533   1.536   3.837
   92    HE2  TYR  12           HE2      TYR  12  11.593   3.837   0.748
   93    HH   TYR  12           HH       TYR  12  12.427   3.514   4.213
   94    H    PHE  13           H        PHE  13  11.234  -1.264   1.588
   95    HA   PHE  13           HA       PHE  13   8.750  -0.843   0.046
   96    HB2  PHE  13           HB2      PHE  13   7.647  -1.809   2.145
   97    HB3  PHE  13           HB3      PHE  13   8.502  -2.866   1.027
   98    HD1  PHE  13           HD1      PHE  13   8.697  -1.225   4.345
   99    HD2  PHE  13           HD2      PHE  13  10.489  -4.060   1.655
  100    HE1  PHE  13           HE1      PHE  13  10.120  -2.076   6.189
  101    HE2  PHE  13           HE2      PHE  13  11.933  -4.894   3.493
  102    HZ   PHE  13           HZ       PHE  13  11.739  -3.912   5.765
  103    H    VAL  14           H        VAL  14   7.064   0.418   0.630
  104    HA   VAL  14           HA       VAL  14   7.421   2.347   2.821
  105    HB   VAL  14           HB       VAL  14   6.939   4.253   1.380
  106   HG11  VAL  14          HG11      VAL  14   9.320   3.633   1.741
  107   HG12  VAL  14          HG12      VAL  14   9.276   2.670   0.241
  108   HG13  VAL  14          HG13      VAL  14   9.051   4.429   0.171
  109   HG21  VAL  14          HG21      VAL  14   5.637   3.116  -0.375
  110   HG22  VAL  14          HG22      VAL  14   6.980   4.042  -1.085
  111   HG23  VAL  14          HG23      VAL  14   7.103   2.275  -0.930
  112    H    ASP  15           H        ASP  15   5.357   3.561   3.218
  113    HA   ASP  15           HA       ASP  15   3.110   1.800   3.122
  114    HB2  ASP  15           HB2      ASP  15   3.334   4.748   3.815
  115    HB3  ASP  15           HB3      ASP  15   1.863   3.782   4.007
  116    H    ASP  16           H        ASP  16   1.072   2.064   2.050
  117    HA   ASP  16           HA       ASP  16   1.393   2.668  -0.726
  118    HB2  ASP  16           HB2      ASP  16  -1.064   2.080   0.954
  119    HB3  ASP  16           HB3      ASP  16  -1.077   2.236  -0.813
  120    H    SER  17           H        SER  17   0.776   4.758   1.906
  121    HA   SER  17           HA       SER  17  -0.846   6.664   0.388
  122    HB2  SER  17           HB2      SER  17  -1.146   6.330   2.815
  123    HB3  SER  17           HB3      SER  17   0.526   6.864   3.099
  124    HG   SER  17           HG       SER  17  -0.032   8.879   2.242
  125    H    LYS  18           H        LYS  18   2.480   5.864   0.531
  126    HA   LYS  18           HA       LYS  18   3.503   8.582   0.320
  127    HB2  LYS  18           HB2      LYS  18   4.843   5.892  -0.183
  128    HB3  LYS  18           HB3      LYS  18   5.665   7.453  -0.043
  129    HG2  LYS  18           HG2      LYS  18   4.028   6.104   2.152
  130    HG3  LYS  18           HG3      LYS  18   5.796   6.174   2.062
  131    HD2  LYS  18           HD2      LYS  18   5.667   8.680   2.151
  132    HD3  LYS  18           HD3      LYS  18   3.905   8.548   2.358
  133    HE2  LYS  18           HE2      LYS  18   4.240   7.203   4.402
  134    HE3  LYS  18           HE3      LYS  18   6.000   7.332   4.203
  135    HZ1  LYS  18           HZ1      LYS  18   5.779   9.712   4.416
  136    HZ2  LYS  18           HZ2      LYS  18   4.151   9.577   4.624
  137    HZ3  LYS  18           HZ3      LYS  18   5.175   8.951   5.746
  138    H    VAL  19           H        VAL  19   1.909   6.527  -1.854
  139    HA   VAL  19           HA       VAL  19   2.913   8.124  -4.129
  140    HB   VAL  19           HB       VAL  19   2.696   5.102  -4.230
  141   HG11  VAL  19          HG11      VAL  19   3.822   5.416  -6.425
  142   HG12  VAL  19          HG12      VAL  19   2.237   6.219  -6.381
  143   HG13  VAL  19          HG13      VAL  19   3.724   7.179  -6.214
  144   HG21  VAL  19          HG21      VAL  19   4.652   5.703  -2.887
  145   HG22  VAL  19          HG22      VAL  19   5.177   5.160  -4.489
  146   HG23  VAL  19          HG23      VAL  19   5.157   6.899  -4.111
  147    H    GLY  20           H        GLY  20   1.384   8.560  -5.691
  148    HA2  GLY  20           HA2      GLY  20  -1.301   7.293  -5.342
  149    HA3  GLY  20           HA3      GLY  20  -1.110   9.031  -5.602
  150    HA   PRO  21           HA       PRO  21  -1.457   6.754  -9.685
  151    HB2  PRO  21           HB2      PRO  21  -3.804   7.892 -10.558
  152    HB3  PRO  21           HB3      PRO  21  -3.744   6.415  -9.542
  153    HG2  PRO  21           HG2      PRO  21  -4.272   9.266  -8.693
  154    HG3  PRO  21           HG3      PRO  21  -5.088   7.763  -8.150
  155    HD2  PRO  21           HD2      PRO  21  -3.088   9.023  -6.720
  156    HD3  PRO  21           HD3      PRO  21  -3.357   7.255  -6.662
  157    H    ASP  22           H        ASP  22  -1.688  10.082  -8.536
  158    HA   ASP  22           HA       ASP  22  -1.052  11.272 -11.104
  159    HB2  ASP  22           HB2      ASP  22  -1.080  12.340  -8.259
  160    HB3  ASP  22           HB3      ASP  22  -0.741  13.318  -9.691
  161    H    GLY  23           H        GLY  23   0.706   9.412  -8.953
  162    HA2  GLY  23           HA2      GLY  23   2.941   8.850  -9.022
  163    HA3  GLY  23           HA3      GLY  23   3.263  10.184 -10.141
  164    H    ARG  24           H        ARG  24   4.855   9.418  -7.874
  165    HA   ARG  24           HA       ARG  24   5.120  12.017  -6.593
  166    HB2  ARG  24           HB2      ARG  24   3.364  10.875  -5.188
  167    HB3  ARG  24           HB3      ARG  24   4.504   9.544  -4.920
  168    HG2  ARG  24           HG2      ARG  24   4.498  11.067  -3.006
  169    HG3  ARG  24           HG3      ARG  24   6.077  11.098  -3.806
  170    HD2  ARG  24           HD2      ARG  24   5.461  13.185  -4.974
  171    HD3  ARG  24           HD3      ARG  24   3.847  13.131  -4.247
  172    HE   ARG  24           HE       ARG  24   6.405  13.792  -2.895
  173   HH11  ARG  24          HH11      ARG  24   2.915  13.277  -2.662
  174   HH12  ARG  24          HH12      ARG  24   2.780  14.088  -1.118
  175   HH21  ARG  24          HH21      ARG  24   6.202  14.834  -0.879
  176   HH22  ARG  24          HH22      ARG  24   4.636  14.967  -0.115
  177    H    VAL  25           H        VAL  25   7.218  12.289  -5.748
  178    HA   VAL  25           HA       VAL  25   9.148  10.364  -6.760
  179    HB   VAL  25           HB       VAL  25   9.407  12.851  -6.917
  180   HG11  VAL  25          HG11      VAL  25  10.253  14.057  -4.962
  181   HG12  VAL  25          HG12      VAL  25   8.639  13.386  -4.607
  182   HG13  VAL  25          HG13      VAL  25  10.099  12.598  -3.962
  183   HG21  VAL  25          HG21      VAL  25  11.637  11.375  -5.464
  184   HG22  VAL  25          HG22      VAL  25  11.308  11.306  -7.215
  185   HG23  VAL  25          HG23      VAL  25  11.812  12.834  -6.458
  186    H    VAL  26           H        VAL  26  10.714   9.218  -5.587
  187    HA   VAL  26           HA       VAL  26  10.270   9.004  -2.658
  188    HB   VAL  26           HB       VAL  26  10.302   6.632  -2.695
  189   HG11  VAL  26          HG11      VAL  26   8.506   7.527  -4.994
  190   HG12  VAL  26          HG12      VAL  26   8.302   6.076  -3.992
  191   HG13  VAL  26          HG13      VAL  26   8.115   7.682  -3.262
  192   HG21  VAL  26          HG21      VAL  26  11.973   6.289  -4.480
  193   HG22  VAL  26          HG22      VAL  26  10.522   5.322  -4.779
  194   HG23  VAL  26          HG23      VAL  26  10.790   6.821  -5.699
  195    H    ARG  27           H        ARG  27  12.132   7.648  -1.635
  196    HA   ARG  27           HA       ARG  27  14.682   8.248  -3.025
  197    HB2  ARG  27           HB2      ARG  27  15.602   9.330  -1.047
  198    HB3  ARG  27           HB3      ARG  27  14.138  10.163  -1.577
  199    HG2  ARG  27           HG2      ARG  27  13.723  10.060   0.688
  200    HG3  ARG  27           HG3      ARG  27  12.961   8.540   0.192
  201    HD2  ARG  27           HD2      ARG  27  15.108   7.343   0.755
  202    HD3  ARG  27           HD3      ARG  27  15.783   8.888   1.291
  203    HE   ARG  27           HE       ARG  27  14.420   8.843   3.202
  204   HH11  ARG  27          HH11      ARG  27  13.668   6.145   1.038
  205   HH12  ARG  27          HH12      ARG  27  12.803   5.254   2.269
  206   HH21  ARG  27          HH21      ARG  27  13.241   7.666   4.773
  207   HH22  ARG  27          HH22      ARG  27  12.546   6.117   4.363
  208    H    CYS  28           H        CYS  28  16.430   6.959  -2.432
  209    HA   CYS  28           HA       CYS  28  15.698   4.325  -1.424
  210    HB2  CYS  28           HB2      CYS  28  17.185   4.753  -3.401
  211    HB3  CYS  28           HB3      CYS  28  18.390   5.453  -2.304
  212    H    ALA  29           H        ALA  29  16.185   3.463   0.537
  213    HA   ALA  29           HA       ALA  29  17.281   5.204   2.611
  214    HB1  ALA  29           HB1      ALA  29  16.423   2.286   2.654
  215    HB2  ALA  29           HB2      ALA  29  16.794   3.290   4.077
  216    HB3  ALA  29           HB3      ALA  29  15.397   3.687   3.057
  217    H    SER  30           H        SER  30  18.672   3.231   0.203
  218    HA   SER  30           HA       SER  30  20.884   2.388   2.001
  219    HB2  SER  30           HB2      SER  30  19.787   1.204  -0.573
  220    HB3  SER  30           HB3      SER  30  21.299   0.672   0.186
  221    HG   SER  30           HG       SER  30  20.146   0.103   2.018
  222    H    CYS  31           H        CYS  31  20.169   4.451  -0.746
  223    HA   CYS  31           HA       CYS  31  23.028   5.156  -0.759
  224    HB2  CYS  31           HB2      CYS  31  23.349   4.925  -3.110
  225    HB3  CYS  31           HB3      CYS  31  22.740   3.373  -2.485
  226    H    GLY  32           H        GLY  32  19.794   6.134  -0.797
  227    HA2  GLY  32           HA2      GLY  32  19.033   8.296  -0.537
  228    HA3  GLY  32           HA3      GLY  32  20.665   8.901  -0.864
  229    H    ASN  33           H        ASN  33  19.867   6.780  -3.351
  230    HA   ASN  33           HA       ASN  33  19.599   8.786  -5.345
  231    HB2  ASN  33           HB2      ASN  33  20.359   6.393  -5.638
  232    HB3  ASN  33           HB3      ASN  33  18.681   5.882  -5.425
  233   HD21  ASN  33          HD22      ASN  33  18.569   4.985  -7.527
  234   HD22  ASN  33          HD21      ASN  33  18.480   5.998  -8.955
  235    H    ARG  34           H        ARG  34  17.724   9.341  -6.645
  236    HA   ARG  34           HA       ARG  34  15.106   8.830  -5.333
  237    HB2  ARG  34           HB2      ARG  34  16.155  11.554  -6.185
  238    HB3  ARG  34           HB3      ARG  34  14.517  11.212  -5.597
  239    HG2  ARG  34           HG2      ARG  34  15.502  10.382  -3.446
  240    HG3  ARG  34           HG3      ARG  34  17.116  10.851  -4.038
  241    HD2  ARG  34           HD2      ARG  34  16.366  13.189  -4.251
  242    HD3  ARG  34           HD3      ARG  34  14.750  12.739  -3.695
  243    HE   ARG  34           HE       ARG  34  17.241  12.554  -2.037
  244   HH11  ARG  34          HH11      ARG  34  13.747  13.055  -2.318
  245   HH12  ARG  34          HH12      ARG  34  13.543  13.396  -0.618
  246   HH21  ARG  34          HH21      ARG  34  16.940  13.009   0.168
  247   HH22  ARG  34          HH22      ARG  34  15.348  13.373   0.788
  248    H    TRP  35           H        TRP  35  13.329   8.831  -6.685
  249    HA   TRP  35           HA       TRP  35  13.520   9.591  -9.486
  250    HB2  TRP  35           HB2      TRP  35  13.109   7.373 -10.392
  251    HB3  TRP  35           HB3      TRP  35  14.646   7.394  -9.533
  252    HD1  TRP  35           HD1      TRP  35  11.172   5.884  -9.423
  253    HE1  TRP  35           HE1      TRP  35  11.048   4.010  -7.706
  254    HE3  TRP  35           HE3      TRP  35  15.739   6.529  -7.224
  255    HZ2  TRP  35           HZ2      TRP  35  12.734   2.903  -5.623
  256    HZ3  TRP  35           HZ3      TRP  35  16.446   5.049  -5.368
  257    HH2  TRP  35           HH2      TRP  35  14.959   3.244  -4.562
  258    H    THR  36           H        THR  36  11.399   9.393 -10.544
  259    HA   THR  36           HA       THR  36   9.254   9.756  -8.651
  260    HB   THR  36           HB       THR  36   8.790   9.560 -11.600
  261    HG1  THR  36           HG1      THR  36   9.492  11.712 -11.729
  262   HG21  THR  36          HG21      THR  36   7.740  11.354  -9.369
  263   HG22  THR  36          HG22      THR  36   7.213  11.392 -11.066
  264   HG23  THR  36          HG23      THR  36   6.887   9.957 -10.074
  265    H    ALA  37           H        ALA  37   7.526   8.510  -8.151
  266    HA   ALA  37           HA       ALA  37   7.437   5.773  -9.339
  267    HB1  ALA  37           HB1      ALA  37   6.793   6.649  -6.493
  268    HB2  ALA  37           HB2      ALA  37   6.681   4.997  -7.137
  269    HB3  ALA  37           HB3      ALA  37   8.266   5.784  -6.995
  270    H    PHE  38           H        PHE  38   5.224   4.787  -9.206
  271    HA   PHE  38           HA       PHE  38   3.019   6.653  -8.875
  272    HB2  PHE  38           HB2      PHE  38   2.108   6.027 -11.184
  273    HB3  PHE  38           HB3      PHE  38   3.340   7.282 -11.038
  274    HD1  PHE  38           HD2      PHE  38   2.712   3.798 -12.134
  275    HD2  PHE  38           HD1      PHE  38   5.567   7.011 -11.925
  276    HE1  PHE  38           HE2      PHE  38   4.165   2.612 -13.759
  277    HE2  PHE  38           HE1      PHE  38   7.018   5.823 -13.547
  278    HZ   PHE  38           HZ       PHE  38   6.316   3.624 -14.464
  279    H    LYS  39           H        LYS  39   1.012   5.787  -8.550
  280    HA   LYS  39           HA       LYS  39   1.061   3.011  -7.642
  281    HB2  LYS  39           HB2      LYS  39  -0.007   4.724  -6.301
  282    HB3  LYS  39           HB3      LYS  39  -1.094   5.158  -7.636
  283    HG2  LYS  39           HG2      LYS  39  -2.246   3.055  -7.520
  284    HG3  LYS  39           HG3      LYS  39  -1.012   2.357  -6.451
  285    HD2  LYS  39           HD2      LYS  39  -2.786   4.715  -5.701
  286    HD3  LYS  39           HD3      LYS  39  -3.120   3.027  -5.263
  287    HE2  LYS  39           HE2      LYS  39  -0.918   2.900  -4.119
  288    HE3  LYS  39           HE3      LYS  39  -0.620   4.600  -4.511
  289    HZ1  LYS  39           HZ1      LYS  39  -2.575   5.168  -3.240
  290    HZ2  LYS  39           HZ2      LYS  39  -2.805   3.589  -2.828
  291    HZ3  LYS  39           HZ3      LYS  39  -1.459   4.387  -2.316
  292    H    ASP  40           H        ASP  40  -0.496   1.408  -8.286
  293    HA   ASP  40           HA       ASP  40  -1.787   1.797 -10.919
  294    HB2  ASP  40           HB2      ASP  40   0.557   0.955 -11.290
  295    HB3  ASP  40           HB3      ASP  40   0.159  -0.471 -10.316
  296    H    GLU  41           H        GLU  41  -1.812   0.704  -7.726
  297    HA   GLU  41           HA       GLU  41  -3.523  -1.623  -8.056
  298    HB2  GLU  41           HB2      GLU  41  -2.867   0.184  -5.692
  299    HB3  GLU  41           HB3      GLU  41  -3.838  -1.282  -5.565
  300    HG2  GLU  41           HG2      GLU  41  -0.960  -1.161  -6.592
  301    HG3  GLU  41           HG3      GLU  41  -1.432  -1.623  -4.951
  302    H    ALA  42           H        ALA  42  -4.011   1.832  -8.081
  303    HA   ALA  42           HA       ALA  42  -6.885   1.500  -8.382
  304    HB1  ALA  42           HB1      ALA  42  -6.627   1.392  -5.923
  305    HB2  ALA  42           HB2      ALA  42  -5.766   2.946  -5.942
  306    HB3  ALA  42           HB3      ALA  42  -7.475   2.877  -6.424
  307    H    GLU  43           H        GLU  43  -7.939   3.555  -8.922
  308    HA   GLU  43           HA       GLU  43  -6.276   5.907  -9.386
  309    HB2  GLU  43           HB2      GLU  43  -5.742   4.457 -11.333
  310    HB3  GLU  43           HB3      GLU  43  -7.468   4.361 -11.729
  311    HG2  GLU  43           HG2      GLU  43  -7.551   6.790 -12.094
  312    HG3  GLU  43           HG3      GLU  43  -5.867   6.946 -11.575
  313    H    LEU  44           H        LEU  44  -7.559   7.780  -9.876
  314    HA   LEU  44           HA       LEU  44 -10.188   7.701  -8.704
  315    HB2  LEU  44           HB2      LEU  44  -8.520   9.803 -10.123
  316    HB3  LEU  44           HB3      LEU  44 -10.206  10.110  -9.684
  317    HG   LEU  44           HG       LEU  44  -9.654   9.523  -7.302
  318   HD11  LEU  44          HD11      LEU  44  -7.625   8.194  -7.581
  319   HD12  LEU  44          HD12      LEU  44  -6.801   9.563  -8.378
  320   HD13  LEU  44          HD13      LEU  44  -7.233   9.655  -6.658
  321   HD21  LEU  44          HD21      LEU  44  -9.775  11.850  -8.082
  322   HD22  LEU  44          HD22      LEU  44  -8.501  11.672  -6.859
  323   HD23  LEU  44          HD23      LEU  44  -8.069  11.784  -8.586
  324    H    GLU  45           H        GLU  45 -12.195   8.321  -9.733
  325    HA   GLU  45           HA       GLU  45 -12.606   7.005 -12.277
  326    HB2  GLU  45           HB2      GLU  45 -14.416   8.773 -10.593
  327    HB3  GLU  45           HB3      GLU  45 -14.941   7.819 -11.987
  328    HG2  GLU  45           HG2      GLU  45 -13.665   6.670  -9.462
  329    HG3  GLU  45           HG3      GLU  45 -15.399   6.706  -9.793
  330    H    LEU  46           H        LEU  46 -13.450   7.972 -14.198
  331    HA   LEU  46           HA       LEU  46 -13.277   9.390 -15.961
  332    HB2  LEU  46           HB2      LEU  46 -13.571  11.589 -13.884
  333    HB3  LEU  46           HB3      LEU  46 -13.931  11.703 -15.611
  334    HG   LEU  46           HG       LEU  46 -15.360   9.868 -13.632
  335   HD11  LEU  46          HD11      LEU  46 -16.256  12.424 -15.026
  336   HD12  LEU  46          HD12      LEU  46 -17.257  11.407 -13.964
  337   HD13  LEU  46          HD13      LEU  46 -15.856  12.268 -13.294
  338   HD21  LEU  46          HD21      LEU  46 -15.332   8.933 -15.919
  339   HD22  LEU  46          HD22      LEU  46 -16.949   9.531 -15.515
  340   HD23  LEU  46          HD23      LEU  46 -15.887  10.494 -16.572
  341    H    VAL  47           H        VAL  47 -12.114  11.636 -16.683
  342    HA   VAL  47           HA       VAL  47  -9.320  11.017 -16.573
  343    HB   VAL  47           HB       VAL  47 -10.661  13.554 -17.573
  344   HG11  VAL  47          HG11      VAL  47  -8.031  12.205 -18.324
  345   HG12  VAL  47          HG12      VAL  47  -8.694  13.686 -19.049
  346   HG13  VAL  47          HG13      VAL  47  -8.187  13.688 -17.348
  347   HG21  VAL  47          HG21      VAL  47 -11.688  11.576 -18.625
  348   HG22  VAL  47          HG22      VAL  47 -10.642  12.421 -19.784
  349   HG23  VAL  47          HG23      VAL  47 -10.075  10.924 -19.002
  350    HA   PRO  48           HA       PRO  48  -8.465  13.148 -12.783
  351    HB2  PRO  48           HB2      PRO  48  -5.727  13.095 -12.834
  352    HB3  PRO  48           HB3      PRO  48  -6.733  11.636 -12.536
  353    HG2  PRO  48           HG2      PRO  48  -5.430  12.526 -15.116
  354    HG3  PRO  48           HG3      PRO  48  -5.479  10.883 -14.394
  355    HD2  PRO  48           HD2      PRO  48  -7.205  11.701 -16.375
  356    HD3  PRO  48           HD3      PRO  48  -7.682  10.531 -15.106
  357    H    ARG  49           H        ARG  49  -7.651  14.342 -15.918
  358    HA   ARG  49           HA       ARG  49  -6.273  16.753 -15.106
  359    HB2  ARG  49           HB2      ARG  49  -7.749  16.046 -17.677
  360    HB3  ARG  49           HB3      ARG  49  -6.694  17.453 -17.442
  361    HG2  ARG  49           HG2      ARG  49  -4.791  15.926 -16.925
  362    HG3  ARG  49           HG3      ARG  49  -5.851  14.527 -17.188
  363    HD2  ARG  49           HD2      ARG  49  -4.534  14.951 -19.195
  364    HD3  ARG  49           HD3      ARG  49  -6.247  15.273 -19.515
  365    HE   ARG  49           HE       ARG  49  -4.240  17.422 -18.921
  366   HH11  ARG  49          HH11      ARG  49  -6.964  16.180 -20.815
  367   HH12  ARG  49          HH12      ARG  49  -7.116  17.641 -21.763
  368   HH21  ARG  49          HH21      ARG  49  -4.467  19.308 -20.173
  369   HH22  ARG  49          HH22      ARG  49  -5.713  19.409 -21.394
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   3.351  -0.436  -0.255
    2    H2   MET   1           H2       MET   1   3.194  -2.071  -0.239
    3    H3   MET   1           H3       MET   1   1.999  -1.141  -0.884
    4    HA   MET   1           HA       MET   1   3.304  -2.216  -2.587
    5    HB2  MET   1           HB2      MET   1   3.703  -0.224  -3.952
    6    HB3  MET   1           HB3      MET   1   2.178  -0.071  -3.064
    7    HG2  MET   1           HG2      MET   1   3.434   1.238  -1.298
    8    HG3  MET   1           HG3      MET   1   4.839   1.236  -2.376
    9    HE1  MET   1           HE1      MET   1   3.518   1.628  -5.267
   10    HE2  MET   1           HE2      MET   1   3.622   3.396  -5.391
   11    HE3  MET   1           HE3      MET   1   4.961   2.478  -4.658
   12    H    ILE   2           H        ILE   2   5.427  -1.851  -3.891
   13    HA   ILE   2           HA       ILE   2   7.695  -1.351  -2.058
   14    HB   ILE   2           HB       ILE   2   6.881  -3.853  -2.249
   15   HG12  ILE   2          HG12      ILE   2   9.826  -3.319  -2.719
   16   HG13  ILE   2          HG13      ILE   2   9.006  -2.834  -1.220
   17   HG21  ILE   2          HG21      ILE   2   8.646  -3.641  -4.723
   18   HG22  ILE   2          HG22      ILE   2   7.907  -5.113  -4.059
   19   HG23  ILE   2          HG23      ILE   2   6.879  -3.854  -4.764
   20   HD11  ILE   2          HD11      ILE   2   9.128  -5.668  -2.320
   21   HD12  ILE   2          HD12      ILE   2  10.045  -5.034  -0.932
   22   HD13  ILE   2          HD13      ILE   2   8.276  -5.164  -0.843
   23    H    LEU   3           H        LEU   3   9.666  -0.851  -3.121
   24    HA   LEU   3           HA       LEU   3   9.442  -0.246  -6.025
   25    HB2  LEU   3           HB2      LEU   3  10.475   1.587  -3.824
   26    HB3  LEU   3           HB3      LEU   3  10.555   1.932  -5.560
   27    HG   LEU   3           HG       LEU   3   7.941   1.443  -4.060
   28   HD11  LEU   3          HD11      LEU   3   9.281   4.056  -4.847
   29   HD12  LEU   3          HD12      LEU   3   7.663   3.886  -4.122
   30   HD13  LEU   3          HD13      LEU   3   9.103   3.441  -3.184
   31   HD21  LEU   3          HD21      LEU   3   6.961   2.560  -6.050
   32   HD22  LEU   3          HD22      LEU   3   8.583   2.675  -6.777
   33   HD23  LEU   3          HD23      LEU   3   7.837   1.085  -6.512
   34    H    THR   4           H        THR   4  11.423  -0.254  -7.168
   35    HA   THR   4           HA       THR   4  13.650  -1.508  -5.667
   36    HB   THR   4           HB       THR   4  13.293  -1.843  -8.627
   37    HG1  THR   4           HG1      THR   4  12.156  -3.735  -8.138
   38   HG21  THR   4          HG21      THR   4  15.449  -2.493  -7.596
   39   HG22  THR   4          HG22      THR   4  14.582  -3.532  -6.443
   40   HG23  THR   4          HG23      THR   4  14.558  -3.911  -8.184
   41    H    CYS   5           H        CYS   5  15.636  -0.659  -5.663
   42    HA   CYS   5           HA       CYS   5  16.011   1.979  -6.821
   43    HB2  CYS   5           HB2      CYS   5  16.886   1.352  -4.596
   44    HB3  CYS   5           HB3      CYS   5  17.889   0.097  -5.352
   45    HA   PRO   6           HA       PRO   6  17.827   0.361 -10.573
   46    HB2  PRO   6           HB2      PRO   6  18.781   2.702 -11.625
   47    HB3  PRO   6           HB3      PRO   6  17.031   2.308 -11.577
   48    HG2  PRO   6           HG2      PRO   6  18.615   4.048  -9.683
   49    HG3  PRO   6           HG3      PRO   6  17.011   4.371 -10.421
   50    HD2  PRO   6           HD2      PRO   6  17.319   3.370  -7.870
   51    HD3  PRO   6           HD3      PRO   6  15.924   2.948  -8.905
   52    H    GLU   7           H        GLU   7  19.493   1.952  -7.952
   53    HA   GLU   7           HA       GLU   7  22.143   1.298  -9.144
   54    HB2  GLU   7           HB2      GLU   7  21.417   2.960  -6.699
   55    HB3  GLU   7           HB3      GLU   7  23.047   2.753  -7.365
   56    HG2  GLU   7           HG2      GLU   7  20.681   4.009  -8.823
   57    HG3  GLU   7           HG3      GLU   7  21.985   4.902  -8.023
   58    H    CYS   8           H        CYS   8  20.125   0.719  -6.218
   59    HA   CYS   8           HA       CYS   8  22.165  -1.106  -5.146
   60    HB2  CYS   8           HB2      CYS   8  19.358  -0.442  -4.152
   61    HB3  CYS   8           HB3      CYS   8  20.574  -1.401  -3.292
   62    H    ALA   9           H        ALA   9  19.381  -1.246  -7.209
   63    HA   ALA   9           HA       ALA   9  18.189  -2.935  -8.132
   64    HB1  ALA   9           HB1      ALA   9  20.738  -4.525  -7.657
   65    HB2  ALA   9           HB2      ALA   9  19.446  -4.923  -8.815
   66    HB3  ALA   9           HB3      ALA   9  20.421  -3.452  -9.048
   67    H    SER  10           H        SER  10  17.716  -2.490  -5.400
   68    HA   SER  10           HA       SER  10  16.939  -5.213  -4.492
   69    HB2  SER  10           HB2      SER  10  19.025  -4.438  -3.340
   70    HB3  SER  10           HB3      SER  10  18.137  -3.017  -2.759
   71    HG   SER  10           HG       SER  10  17.608  -5.742  -2.172
   72    H    ARG  11           H        ARG  11  15.052  -5.252  -3.155
   73    HA   ARG  11           HA       ARG  11  13.185  -3.116  -3.886
   74    HB2  ARG  11           HB2      ARG  11  12.802  -5.777  -2.475
   75    HB3  ARG  11           HB3      ARG  11  11.496  -4.662  -2.929
   76    HG2  ARG  11           HG2      ARG  11  12.266  -4.807  -5.321
   77    HG3  ARG  11           HG3      ARG  11  13.424  -6.062  -4.829
   78    HD2  ARG  11           HD2      ARG  11  10.409  -6.182  -4.441
   79    HD3  ARG  11           HD3      ARG  11  11.304  -7.013  -5.722
   80    HE   ARG  11           HE       ARG  11  12.581  -7.996  -3.581
   81   HH11  ARG  11          HH11      ARG  11   9.119  -7.555  -4.158
   82   HH12  ARG  11          HH12      ARG  11   8.656  -8.880  -3.116
   83   HH21  ARG  11          HH21      ARG  11  11.945  -9.705  -2.208
   84   HH22  ARG  11          HH22      ARG  11  10.251 -10.090  -2.014
   85    H    TYR  12           H        TYR  12  11.853  -1.999  -2.432
   86    HA   TYR  12           HA       TYR  12  12.333  -2.227   0.425
   87    HB2  TYR  12           HB2      TYR  12  14.107  -0.749   0.012
   88    HB3  TYR  12           HB3      TYR  12  13.167   0.191  -1.143
   89    HD1  TYR  12           HD2      TYR  12  13.713  -0.491   2.443
   90    HD2  TYR  12           HD1      TYR  12  11.622   1.915  -0.443
   91    HE1  TYR  12           HE2      TYR  12  13.082   1.103   4.238
   92    HE2  TYR  12           HE1      TYR  12  11.006   3.529   1.341
   93    HH   TYR  12           HH       TYR  12  11.993   3.060   4.753
   94    H    PHE  13           H        PHE  13  10.580  -1.723   1.651
   95    HA   PHE  13           HA       PHE  13   8.210  -1.152  -0.004
   96    HB2  PHE  13           HB2      PHE  13   6.975  -2.243   1.956
   97    HB3  PHE  13           HB3      PHE  13   7.908  -3.235   0.840
   98    HD1  PHE  13           HD1      PHE  13   7.869  -1.788   4.244
   99    HD2  PHE  13           HD2      PHE  13   9.871  -4.446   1.524
  100    HE1  PHE  13           HE1      PHE  13   9.162  -2.745   6.134
  101    HE2  PHE  13           HE2      PHE  13  11.179  -5.392   3.413
  102    HZ   PHE  13           HZ       PHE  13  10.818  -4.551   5.717
  103    H    VAL  14           H        VAL  14   6.478   0.072   0.538
  104    HA   VAL  14           HA       VAL  14   6.704   1.891   2.840
  105    HB   VAL  14           HB       VAL  14   6.353   3.876   1.455
  106   HG11  VAL  14          HG11      VAL  14   8.768   2.311   0.443
  107   HG12  VAL  14          HG12      VAL  14   8.569   4.075   0.436
  108   HG13  VAL  14          HG13      VAL  14   8.692   3.207   1.981
  109   HG21  VAL  14          HG21      VAL  14   5.194   2.836  -0.450
  110   HG22  VAL  14          HG22      VAL  14   6.589   3.783  -1.000
  111   HG23  VAL  14          HG23      VAL  14   6.692   2.006  -0.926
  112    H    ASP  15           H        ASP  15   4.638   3.097   3.182
  113    HA   ASP  15           HA       ASP  15   2.374   1.407   2.761
  114    HB2  ASP  15           HB2      ASP  15   2.596   4.285   3.690
  115    HB3  ASP  15           HB3      ASP  15   1.095   3.343   3.695
  116    H    ASP  16           H        ASP  16   0.441   1.805   1.545
  117    HA   ASP  16           HA       ASP  16   1.022   2.565  -1.144
  118    HB2  ASP  16           HB2      ASP  16  -1.599   2.004   0.285
  119    HB3  ASP  16           HB3      ASP  16  -1.458   2.249  -1.460
  120    H    SER  17           H        SER  17   0.228   4.502   1.561
  121    HA   SER  17           HA       SER  17  -1.164   6.583   0.051
  122    HB2  SER  17           HB2      SER  17  -1.691   6.114   2.405
  123    HB3  SER  17           HB3      SER  17  -0.029   6.536   2.876
  124    HG   SER  17           HG       SER  17  -0.413   8.635   2.101
  125    H    LYS  18           H        LYS  18   2.109   5.627   0.433
  126    HA   LYS  18           HA       LYS  18   3.256   8.299   0.441
  127    HB2  LYS  18           HB2      LYS  18   4.509   5.578  -0.116
  128    HB3  LYS  18           HB3      LYS  18   5.400   7.079   0.142
  129    HG2  LYS  18           HG2      LYS  18   3.577   5.707   2.164
  130    HG3  LYS  18           HG3      LYS  18   5.346   5.738   2.197
  131    HD2  LYS  18           HD2      LYS  18   3.508   8.149   2.487
  132    HD3  LYS  18           HD3      LYS  18   4.450   7.372   3.770
  133    HE2  LYS  18           HE2      LYS  18   6.547   7.914   2.553
  134    HE3  LYS  18           HE3      LYS  18   5.598   8.733   1.300
  135    HZ1  LYS  18           HZ1      LYS  18   4.800  10.245   2.987
  136    HZ2  LYS  18           HZ2      LYS  18   5.685   9.488   4.144
  137    HZ3  LYS  18           HZ3      LYS  18   6.444  10.275   2.914
  138    H    VAL  19           H        VAL  19   1.761   6.420  -1.964
  139    HA   VAL  19           HA       VAL  19   2.947   8.161  -4.042
  140    HB   VAL  19           HB       VAL  19   2.611   5.165  -4.385
  141   HG11  VAL  19          HG11      VAL  19   3.814   7.325  -6.174
  142   HG12  VAL  19          HG12      VAL  19   3.806   5.584  -6.523
  143   HG13  VAL  19          HG13      VAL  19   2.271   6.474  -6.452
  144   HG21  VAL  19          HG21      VAL  19   5.127   6.848  -4.045
  145   HG22  VAL  19          HG22      VAL  19   4.526   5.609  -2.916
  146   HG23  VAL  19          HG23      VAL  19   5.094   5.134  -4.528
  147    H    GLY  20           H        GLY  20   1.383   9.121  -5.210
  148    HA2  GLY  20           HA2      GLY  20  -1.399   8.179  -4.897
  149    HA3  GLY  20           HA3      GLY  20  -0.867   9.710  -5.606
  150    HA   PRO  21           HA       PRO  21  -1.996   6.653  -8.969
  151    HB2  PRO  21           HB2      PRO  21  -4.042   8.100 -10.099
  152    HB3  PRO  21           HB3      PRO  21  -4.286   6.963  -8.731
  153    HG2  PRO  21           HG2      PRO  21  -4.003   9.969  -8.658
  154    HG3  PRO  21           HG3      PRO  21  -5.156   8.929  -7.749
  155    HD2  PRO  21           HD2      PRO  21  -2.812   9.908  -6.664
  156    HD3  PRO  21           HD3      PRO  21  -3.521   8.344  -6.168
  157    H    ASP  22           H        ASP  22  -1.226  10.037  -8.627
  158    HA   ASP  22           HA       ASP  22  -0.403  10.264 -11.446
  159    HB2  ASP  22           HB2      ASP  22   0.050  12.670 -10.790
  160    HB3  ASP  22           HB3      ASP  22  -1.634  12.131 -10.762
  161    H    GLY  23           H        GLY  23   0.921   8.921  -8.802
  162    HA2  GLY  23           HA2      GLY  23   3.094   8.202  -8.485
  163    HA3  GLY  23           HA3      GLY  23   3.649   9.264  -9.788
  164    H    ARG  24           H        ARG  24   5.086   8.990  -7.421
  165    HA   ARG  24           HA       ARG  24   5.141  11.754  -6.486
  166    HB2  ARG  24           HB2      ARG  24   3.454  10.688  -4.986
  167    HB3  ARG  24           HB3      ARG  24   4.646   9.446  -4.560
  168    HG2  ARG  24           HG2      ARG  24   4.531  11.143  -2.807
  169    HG3  ARG  24           HG3      ARG  24   6.122  11.194  -3.583
  170    HD2  ARG  24           HD2      ARG  24   5.392  13.126  -4.957
  171    HD3  ARG  24           HD3      ARG  24   3.777  13.030  -4.225
  172    HE   ARG  24           HE       ARG  24   6.218  13.521  -2.570
  173   HH11  ARG  24          HH11      ARG  24   2.989  14.477  -3.654
  174   HH12  ARG  24          HH12      ARG  24   2.855  15.769  -2.482
  175   HH21  ARG  24          HH21      ARG  24   6.011  15.204  -1.056
  176   HH22  ARG  24          HH22      ARG  24   4.557  16.179  -1.019
  177    H    VAL  25           H        VAL  25   7.177  12.292  -5.591
  178    HA   VAL  25           HA       VAL  25   9.308  10.582  -6.506
  179    HB   VAL  25           HB       VAL  25   9.304  13.088  -6.575
  180   HG11  VAL  25          HG11      VAL  25   9.956  12.791  -3.613
  181   HG12  VAL  25          HG12      VAL  25   9.994  14.299  -4.550
  182   HG13  VAL  25          HG13      VAL  25   8.446  13.465  -4.273
  183   HG21  VAL  25          HG21      VAL  25  11.367  11.728  -6.861
  184   HG22  VAL  25          HG22      VAL  25  11.687  13.293  -6.079
  185   HG23  VAL  25          HG23      VAL  25  11.650  11.804  -5.108
  186    H    VAL  26           H        VAL  26  10.946   9.556  -5.355
  187    HA   VAL  26           HA       VAL  26  10.588   9.236  -2.439
  188    HB   VAL  26           HB       VAL  26  10.700   6.851  -2.524
  189   HG11  VAL  26          HG11      VAL  26   8.700   7.753  -4.644
  190   HG12  VAL  26          HG12      VAL  26   8.628   6.261  -3.674
  191   HG13  VAL  26          HG13      VAL  26   8.444   7.839  -2.884
  192   HG21  VAL  26          HG21      VAL  26  10.987   7.135  -5.543
  193   HG22  VAL  26          HG22      VAL  26  12.246   6.598  -4.408
  194   HG23  VAL  26          HG23      VAL  26  10.803   5.601  -4.656
  195    H    ARG  27           H        ARG  27  12.529   8.017  -1.481
  196    HA   ARG  27           HA       ARG  27  15.003   8.549  -3.035
  197    HB2  ARG  27           HB2      ARG  27  14.646  10.533  -1.669
  198    HB3  ARG  27           HB3      ARG  27  14.408   9.529  -0.222
  199    HG2  ARG  27           HG2      ARG  27  16.727   8.727  -0.365
  200    HG3  ARG  27           HG3      ARG  27  16.964   9.633  -1.876
  201    HD2  ARG  27           HD2      ARG  27  17.914  10.887  -0.002
  202    HD3  ARG  27           HD3      ARG  27  16.533  11.752  -0.679
  203    HE   ARG  27           HE       ARG  27  15.344  11.427   1.294
  204   HH11  ARG  27          HH11      ARG  27  18.264   9.426   1.316
  205   HH12  ARG  27          HH12      ARG  27  18.111   9.017   3.006
  206   HH21  ARG  27          HH21      ARG  27  15.160  10.856   3.498
  207   HH22  ARG  27          HH22      ARG  27  16.352   9.817   4.239
  208    H    CYS  28           H        CYS  28  16.686   7.176  -2.653
  209    HA   CYS  28           HA       CYS  28  16.022   4.621  -1.470
  210    HB2  CYS  28           HB2      CYS  28  17.383   4.997  -3.554
  211    HB3  CYS  28           HB3      CYS  28  18.678   5.665  -2.538
  212    H    ALA  29           H        ALA  29  16.615   3.804   0.482
  213    HA   ALA  29           HA       ALA  29  17.902   5.570   2.424
  214    HB1  ALA  29           HB1      ALA  29  16.967   2.675   2.615
  215    HB2  ALA  29           HB2      ALA  29  17.450   3.711   3.977
  216    HB3  ALA  29           HB3      ALA  29  15.996   4.107   3.031
  217    H    SER  30           H        SER  30  19.056   3.496  -0.021
  218    HA   SER  30           HA       SER  30  21.350   2.599   1.654
  219    HB2  SER  30           HB2      SER  30  20.038   1.414  -0.807
  220    HB3  SER  30           HB3      SER  30  21.590   0.850  -0.148
  221    HG   SER  30           HG       SER  30  19.787  -0.315   0.681
  222    H    CYS  31           H        CYS  31  20.533   4.654  -1.061
  223    HA   CYS  31           HA       CYS  31  23.405   5.255  -1.272
  224    HB2  CYS  31           HB2      CYS  31  23.565   4.968  -3.640
  225    HB3  CYS  31           HB3      CYS  31  22.952   3.455  -2.944
  226    H    GLY  32           H        GLY  32  20.229   6.353  -1.079
  227    HA2  GLY  32           HA2      GLY  32  19.575   8.543  -0.813
  228    HA3  GLY  32           HA3      GLY  32  21.198   9.077  -1.283
  229    H    ASN  33           H        ASN  33  20.082   6.926  -3.649
  230    HA   ASN  33           HA       ASN  33  19.812   8.902  -5.662
  231    HB2  ASN  33           HB2      ASN  33  20.392   6.458  -5.932
  232    HB3  ASN  33           HB3      ASN  33  18.690   6.073  -5.624
  233   HD21  ASN  33          HD22      ASN  33  18.515   5.128  -7.741
  234   HD22  ASN  33          HD21      ASN  33  18.415   6.135  -9.169
  235    H    ARG  34           H        ARG  34  17.905   9.532  -6.874
  236    HA   ARG  34           HA       ARG  34  15.352   9.349  -5.355
  237    HB2  ARG  34           HB2      ARG  34  16.430  11.396  -4.622
  238    HB3  ARG  34           HB3      ARG  34  16.741  11.877  -6.301
  239    HG2  ARG  34           HG2      ARG  34  14.294  11.978  -6.728
  240    HG3  ARG  34           HG3      ARG  34  13.993  11.527  -5.032
  241    HD2  ARG  34           HD2      ARG  34  15.515  13.996  -5.958
  242    HD3  ARG  34           HD3      ARG  34  13.825  13.983  -5.445
  243    HE   ARG  34           HE       ARG  34  14.522  13.376  -3.198
  244   HH11  ARG  34          HH11      ARG  34  17.109  14.444  -5.367
  245   HH12  ARG  34          HH12      ARG  34  18.175  14.891  -4.055
  246   HH21  ARG  34          HH21      ARG  34  15.922  13.998  -1.518
  247   HH22  ARG  34          HH22      ARG  34  17.510  14.633  -1.884
  248    H    TRP  35           H        TRP  35  13.549   9.183  -6.610
  249    HA   TRP  35           HA       TRP  35  13.511  10.056  -9.381
  250    HB2  TRP  35           HB2      TRP  35  13.180   7.877 -10.375
  251    HB3  TRP  35           HB3      TRP  35  14.722   7.882  -9.532
  252    HD1  TRP  35           HD1      TRP  35  11.302   6.278  -9.527
  253    HE1  TRP  35           HE1      TRP  35  11.218   4.308  -7.916
  254    HE3  TRP  35           HE3      TRP  35  15.808   6.962  -7.205
  255    HZ2  TRP  35           HZ2      TRP  35  12.881   3.184  -5.824
  256    HZ3  TRP  35           HZ3      TRP  35  16.515   5.433  -5.395
  257    HH2  TRP  35           HH2      TRP  35  15.068   3.547  -4.696
  258    H    THR  36           H        THR  36  11.325   9.659 -10.349
  259    HA   THR  36           HA       THR  36   9.263   9.892  -8.321
  260    HB   THR  36           HB       THR  36   8.822   9.737 -11.297
  261    HG1  THR  36           HG1      THR  36   9.149  11.978 -11.269
  262   HG21  THR  36          HG21      THR  36   6.929  11.234 -10.725
  263   HG22  THR  36          HG22      THR  36   6.829   9.685  -9.858
  264   HG23  THR  36          HG23      THR  36   7.384  11.150  -9.007
  265    H    ALA  37           H        ALA  37   8.183   8.284  -7.403
  266    HA   ALA  37           HA       ALA  37   8.151   5.621  -8.645
  267    HB1  ALA  37           HB1      ALA  37   6.999   6.657  -6.025
  268    HB2  ALA  37           HB2      ALA  37   7.097   4.950  -6.523
  269    HB3  ALA  37           HB3      ALA  37   8.583   5.878  -6.224
  270    H    PHE  38           H        PHE  38   6.075   4.438  -8.855
  271    HA   PHE  38           HA       PHE  38   3.763   6.193  -9.336
  272    HB2  PHE  38           HB2      PHE  38   5.153   4.503 -11.382
  273    HB3  PHE  38           HB3      PHE  38   3.430   4.839 -11.505
  274    HD1  PHE  38           HD2      PHE  38   2.593   7.101 -11.896
  275    HD2  PHE  38           HD1      PHE  38   6.809   6.291 -11.689
  276    HE1  PHE  38           HE2      PHE  38   3.074   9.322 -12.914
  277    HE2  PHE  38           HE1      PHE  38   7.288   8.503 -12.706
  278    HZ   PHE  38           HZ       PHE  38   5.417  10.019 -13.317
  279    H    LYS  39           H        LYS  39   1.796   4.849 -10.088
  280    HA   LYS  39           HA       LYS  39   1.597   2.434  -8.358
  281    HB2  LYS  39           HB2      LYS  39   0.749   4.271  -7.068
  282    HB3  LYS  39           HB3      LYS  39  -0.230   4.858  -8.424
  283    HG2  LYS  39           HG2      LYS  39  -1.670   2.923  -8.343
  284    HG3  LYS  39           HG3      LYS  39  -0.611   2.107  -7.175
  285    HD2  LYS  39           HD2      LYS  39  -2.079   4.720  -6.634
  286    HD3  LYS  39           HD3      LYS  39  -2.655   3.113  -6.146
  287    HE2  LYS  39           HE2      LYS  39  -0.503   2.764  -4.908
  288    HE3  LYS  39           HE3      LYS  39  -0.055   4.439  -5.287
  289    HZ1  LYS  39           HZ1      LYS  39  -2.424   3.612  -3.741
  290    HZ2  LYS  39           HZ2      LYS  39  -1.052   4.296  -3.129
  291    HZ3  LYS  39           HZ3      LYS  39  -2.025   5.164  -4.118
  292    H    ASP  40           H        ASP  40  -0.101   0.967  -8.945
  293    HA   ASP  40           HA       ASP  40  -1.461   1.406 -11.522
  294    HB2  ASP  40           HB2      ASP  40   0.807   0.526 -12.099
  295    HB3  ASP  40           HB3      ASP  40   0.506  -0.879 -11.069
  296    H    GLU  41           H        GLU  41  -1.045  -0.190  -8.437
  297    HA   GLU  41           HA       GLU  41  -2.985  -2.284  -8.823
  298    HB2  GLU  41           HB2      GLU  41  -1.836  -0.924  -6.354
  299    HB3  GLU  41           HB3      GLU  41  -2.901  -2.329  -6.284
  300    HG2  GLU  41           HG2      GLU  41  -0.221  -2.241  -7.750
  301    HG3  GLU  41           HG3      GLU  41  -0.469  -2.918  -6.132
  302    H    ALA  42           H        ALA  42  -3.245   1.134  -8.284
  303    HA   ALA  42           HA       ALA  42  -6.143   0.960  -8.122
  304    HB1  ALA  42           HB1      ALA  42  -4.557   2.081  -5.769
  305    HB2  ALA  42           HB2      ALA  42  -6.328   2.097  -5.948
  306    HB3  ALA  42           HB3      ALA  42  -5.465   0.555  -5.764
  307    H    GLU  43           H        GLU  43  -4.197   2.040  -9.976
  308    HA   GLU  43           HA       GLU  43  -3.807   4.837  -9.604
  309    HB2  GLU  43           HB2      GLU  43  -2.442   3.517 -11.082
  310    HB3  GLU  43           HB3      GLU  43  -3.828   3.053 -12.070
  311    HG2  GLU  43           HG2      GLU  43  -3.133   5.977 -11.701
  312    HG3  GLU  43           HG3      GLU  43  -2.201   4.986 -12.829
  313    H    LEU  44           H        LEU  44  -6.625   3.014 -10.394
  314    HA   LEU  44           HA       LEU  44  -8.009   4.988 -11.958
  315    HB2  LEU  44           HB2      LEU  44  -9.062   2.723 -10.212
  316    HB3  LEU  44           HB3      LEU  44 -10.000   3.602 -11.433
  317    HG   LEU  44           HG       LEU  44  -7.497   1.960 -12.018
  318   HD11  LEU  44          HD11      LEU  44 -10.443   1.345 -12.480
  319   HD12  LEU  44          HD12      LEU  44  -9.074   0.335 -12.995
  320   HD13  LEU  44          HD13      LEU  44  -9.399   0.576 -11.262
  321   HD21  LEU  44          HD21      LEU  44  -7.870   3.779 -13.651
  322   HD22  LEU  44          HD22      LEU  44  -8.250   2.207 -14.379
  323   HD23  LEU  44          HD23      LEU  44  -9.567   3.271 -13.835
  324    H    GLU  45           H        GLU  45  -6.912   5.253  -8.844
  325    HA   GLU  45           HA       GLU  45  -9.205   6.379  -7.528
  326    HB2  GLU  45           HB2      GLU  45  -7.341   5.385  -6.306
  327    HB3  GLU  45           HB3      GLU  45  -6.209   6.531  -7.029
  328    HG2  GLU  45           HG2      GLU  45  -6.704   7.164  -4.732
  329    HG3  GLU  45           HG3      GLU  45  -7.291   8.400  -5.839
  330    H    LEU  46           H        LEU  46  -7.265   7.538 -10.087
  331    HA   LEU  46           HA       LEU  46  -6.993  10.267  -9.393
  332    HB2  LEU  46           HB2      LEU  46  -6.291  10.604 -11.554
  333    HB3  LEU  46           HB3      LEU  46  -5.923   8.891 -11.324
  334    HG   LEU  46           HG       LEU  46  -8.418   9.977 -12.721
  335   HD11  LEU  46          HD11      LEU  46  -5.855   8.789 -13.848
  336   HD12  LEU  46          HD12      LEU  46  -7.298   9.239 -14.785
  337   HD13  LEU  46          HD13      LEU  46  -6.349  10.492 -13.950
  338   HD21  LEU  46          HD21      LEU  46  -8.758   7.720 -11.757
  339   HD22  LEU  46          HD22      LEU  46  -8.657   7.645 -13.527
  340   HD23  LEU  46          HD23      LEU  46  -7.260   7.160 -12.544
  341    H    VAL  47           H        VAL  47  -8.126  12.134 -10.331
  342    HA   VAL  47           HA       VAL  47 -10.913  12.003  -9.780
  343    HB   VAL  47           HB       VAL  47  -9.320  14.159 -11.213
  344   HG11  VAL  47          HG11      VAL  47 -11.945  14.315  -9.667
  345   HG12  VAL  47          HG12      VAL  47 -11.075  15.681 -10.402
  346   HG13  VAL  47          HG13      VAL  47 -11.782  14.427 -11.437
  347   HG21  VAL  47          HG21      VAL  47  -8.332  13.617  -9.029
  348   HG22  VAL  47          HG22      VAL  47  -9.160  15.185  -8.950
  349   HG23  VAL  47          HG23      VAL  47  -9.927  13.740  -8.256
  350    HA   PRO  48           HA       PRO  48 -12.301  10.581 -13.766
  351    HB2  PRO  48           HB2      PRO  48 -14.984  11.134 -13.516
  352    HB3  PRO  48           HB3      PRO  48 -14.173   9.760 -12.694
  353    HG2  PRO  48           HG2      PRO  48 -14.872  12.485 -11.569
  354    HG3  PRO  48           HG3      PRO  48 -15.073  10.870 -10.806
  355    HD2  PRO  48           HD2      PRO  48 -12.967  12.518 -10.242
  356    HD3  PRO  48           HD3      PRO  48 -12.798  10.738 -10.261
  357    H    ARG  49           H        ARG  49 -13.367  11.398 -15.730
  358    HA   ARG  49           HA       ARG  49 -12.560  14.079 -16.342
  359    HB2  ARG  49           HB2      ARG  49 -12.544  12.276 -17.999
  360    HB3  ARG  49           HB3      ARG  49 -14.303  12.088 -17.849
  361    HG2  ARG  49           HG2      ARG  49 -14.647  14.383 -18.681
  362    HG3  ARG  49           HG3      ARG  49 -12.886  14.617 -18.787
  363    HD2  ARG  49           HD2      ARG  49 -12.745  12.741 -20.407
  364    HD3  ARG  49           HD3      ARG  49 -14.504  12.535 -20.303
  365    HE   ARG  49           HE       ARG  49 -14.835  14.560 -21.486
  366   HH11  ARG  49          HH11      ARG  49 -11.402  13.819 -21.036
  367   HH12  ARG  49          HH12      ARG  49 -10.882  14.938 -22.273
  368   HH21  ARG  49          HH21      ARG  49 -14.122  16.007 -23.092
  369   HH22  ARG  49          HH22      ARG  49 -12.414  16.184 -23.424
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1   2.408  -0.967  -0.498
    2    H2   MET   1           H2       MET   1   3.795  -0.259   0.033
    3    H3   MET   1           H3       MET   1   3.639  -1.893   0.104
    4    HA   MET   1           HA       MET   1   3.619  -2.105  -2.239
    5    HB2  MET   1           HB2      MET   1   3.949  -0.149  -3.675
    6    HB3  MET   1           HB3      MET   1   2.463   0.012  -2.718
    7    HG2  MET   1           HG2      MET   1   3.822   1.369  -1.048
    8    HG3  MET   1           HG3      MET   1   5.139   1.364  -2.224
    9    HE1  MET   1           HE1      MET   1   3.605   3.375  -5.223
   10    HE2  MET   1           HE2      MET   1   5.034   2.523  -4.592
   11    HE3  MET   1           HE3      MET   1   3.562   1.610  -5.005
   12    H    ILE   2           H        ILE   2   5.650  -1.841  -3.658
   13    HA   ILE   2           HA       ILE   2   8.026  -1.225  -2.010
   14    HB   ILE   2           HB       ILE   2   7.199  -3.736  -1.974
   15   HG12  ILE   2          HG12      ILE   2  10.110  -3.196  -2.622
   16   HG13  ILE   2          HG13      ILE   2   9.348  -2.675  -1.100
   17   HG21  ILE   2          HG21      ILE   2   8.855  -3.702  -4.533
   18   HG22  ILE   2          HG22      ILE   2   8.136  -5.125  -3.745
   19   HG23  ILE   2          HG23      ILE   2   7.088  -3.900  -4.491
   20   HD11  ILE   2          HD11      ILE   2   9.475  -5.548  -2.098
   21   HD12  ILE   2          HD12      ILE   2  10.454  -4.844  -0.791
   22   HD13  ILE   2          HD13      ILE   2   8.690  -4.993  -0.597
   23    H    LEU   3           H        LEU   3   9.886  -0.707  -3.201
   24    HA   LEU   3           HA       LEU   3   9.558  -0.466  -6.149
   25    HB2  LEU   3           HB2      LEU   3  10.529   1.669  -4.204
   26    HB3  LEU   3           HB3      LEU   3  10.638   1.788  -5.969
   27    HG   LEU   3           HG       LEU   3   8.007   1.415  -4.471
   28   HD11  LEU   3          HD11      LEU   3   7.644   3.800  -4.850
   29   HD12  LEU   3          HD12      LEU   3   9.095   3.537  -3.849
   30   HD13  LEU   3          HD13      LEU   3   9.260   3.949  -5.576
   31   HD21  LEU   3          HD21      LEU   3   7.972   0.728  -6.856
   32   HD22  LEU   3          HD22      LEU   3   7.048   2.228  -6.616
   33   HD23  LEU   3          HD23      LEU   3   8.678   2.299  -7.314
   34    H    THR   4           H        THR   4  11.511  -0.567  -7.339
   35    HA   THR   4           HA       THR   4  13.771  -1.654  -5.771
   36    HB   THR   4           HB       THR   4  13.499  -1.952  -8.752
   37    HG1  THR   4           HG1      THR   4  11.621  -2.765  -7.889
   38   HG21  THR   4          HG21      THR   4  14.846  -3.969  -8.313
   39   HG22  THR   4          HG22      THR   4  15.666  -2.518  -7.704
   40   HG23  THR   4          HG23      THR   4  14.833  -3.619  -6.576
   41    H    CYS   5           H        CYS   5  15.761  -0.794  -5.727
   42    HA   CYS   5           HA       CYS   5  16.090   1.898  -6.787
   43    HB2  CYS   5           HB2      CYS   5  16.936   1.231  -4.575
   44    HB3  CYS   5           HB3      CYS   5  17.995   0.022  -5.334
   45    HA   PRO   6           HA       PRO   6  18.041   0.444 -10.545
   46    HB2  PRO   6           HB2      PRO   6  18.977   2.831 -11.495
   47    HB3  PRO   6           HB3      PRO   6  17.229   2.400 -11.505
   48    HG2  PRO   6           HG2      PRO   6  18.745   4.111  -9.531
   49    HG3  PRO   6           HG3      PRO   6  17.149   4.432 -10.286
   50    HD2  PRO   6           HD2      PRO   6  17.436   3.355  -7.760
   51    HD3  PRO   6           HD3      PRO   6  16.057   2.953  -8.827
   52    H    GLU   7           H        GLU   7  19.607   2.011  -7.836
   53    HA   GLU   7           HA       GLU   7  22.300   1.480  -8.989
   54    HB2  GLU   7           HB2      GLU   7  21.459   3.022  -6.507
   55    HB3  GLU   7           HB3      GLU   7  23.114   2.880  -7.125
   56    HG2  GLU   7           HG2      GLU   7  20.770   4.125  -8.630
   57    HG3  GLU   7           HG3      GLU   7  22.004   5.026  -7.742
   58    H    CYS   8           H        CYS   8  20.274   0.778  -6.084
   59    HA   CYS   8           HA       CYS   8  22.319  -1.054  -5.040
   60    HB2  CYS   8           HB2      CYS   8  19.467  -0.518  -4.115
   61    HB3  CYS   8           HB3      CYS   8  20.690  -1.455  -3.244
   62    H    ALA   9           H        ALA   9  19.623  -1.193  -7.211
   63    HA   ALA   9           HA       ALA   9  18.493  -2.882  -8.222
   64    HB1  ALA   9           HB1      ALA   9  21.047  -4.453  -7.697
   65    HB2  ALA   9           HB2      ALA   9  19.797  -4.835  -8.897
   66    HB3  ALA   9           HB3      ALA   9  20.768  -3.353  -9.069
   67    H    SER  10           H        SER  10  17.920  -2.484  -5.509
   68    HA   SER  10           HA       SER  10  17.097  -5.212  -4.686
   69    HB2  SER  10           HB2      SER  10  19.199  -4.568  -3.509
   70    HB3  SER  10           HB3      SER  10  18.362  -3.145  -2.853
   71    HG   SER  10           HG       SER  10  18.308  -4.953  -1.426
   72    H    ARG  11           H        ARG  11  15.275  -5.183  -3.179
   73    HA   ARG  11           HA       ARG  11  13.398  -3.060  -3.954
   74    HB2  ARG  11           HB2      ARG  11  13.054  -5.662  -2.427
   75    HB3  ARG  11           HB3      ARG  11  11.737  -4.544  -2.835
   76    HG2  ARG  11           HG2      ARG  11  12.366  -4.762  -5.256
   77    HG3  ARG  11           HG3      ARG  11  13.555  -6.005  -4.802
   78    HD2  ARG  11           HD2      ARG  11  11.733  -7.359  -3.787
   79    HD3  ARG  11           HD3      ARG  11  10.560  -6.112  -4.247
   80    HE   ARG  11           HE       ARG  11  10.742  -6.741  -6.508
   81   HH11  ARG  11          HH11      ARG  11  12.963  -8.597  -4.481
   82   HH12  ARG  11          HH12      ARG  11  13.273  -9.802  -5.710
   83   HH21  ARG  11          HH21      ARG  11  11.170  -8.307  -8.101
   84   HH22  ARG  11          HH22      ARG  11  12.249  -9.641  -7.761
   85    H    TYR  12           H        TYR  12  12.126  -1.861  -2.519
   86    HA   TYR  12           HA       TYR  12  12.726  -1.926   0.327
   87    HB2  TYR  12           HB2      TYR  12  14.449  -0.447  -0.232
   88    HB3  TYR  12           HB3      TYR  12  13.461   0.408  -1.415
   89    HD1  TYR  12           HD2      TYR  12  14.078  -0.074   2.203
   90    HD2  TYR  12           HD1      TYR  12  11.953   2.171  -0.789
   91    HE1  TYR  12           HE2      TYR  12  13.453   1.612   3.918
   92    HE2  TYR  12           HE1      TYR  12  11.353   3.877   0.908
   93    HH   TYR  12           HH       TYR  12  12.352   3.583   4.338
   94    H    PHE  13           H        PHE  13  11.048  -1.301   1.625
   95    HA   PHE  13           HA       PHE  13   8.588  -0.863   0.057
   96    HB2  PHE  13           HB2      PHE  13   7.472  -1.960   2.089
   97    HB3  PHE  13           HB3      PHE  13   8.365  -2.946   0.939
   98    HD1  PHE  13           HD1      PHE  13   8.448  -1.487   4.337
   99    HD2  PHE  13           HD2      PHE  13  10.408  -4.090   1.534
  100    HE1  PHE  13           HE1      PHE  13   9.852  -2.396   6.166
  101    HE2  PHE  13           HE2      PHE  13  11.813  -5.000   3.362
  102    HZ   PHE  13           HZ       PHE  13  11.536  -4.150   5.682
  103    H    VAL  14           H        VAL  14   6.860   0.329   0.673
  104    HA   VAL  14           HA       VAL  14   7.102   2.129   2.991
  105    HB   VAL  14           HB       VAL  14   6.629   4.114   1.648
  106   HG11  VAL  14          HG11      VAL  14   9.062   2.669   0.523
  107   HG12  VAL  14          HG12      VAL  14   8.789   4.423   0.572
  108   HG13  VAL  14          HG13      VAL  14   9.009   3.520   2.088
  109   HG21  VAL  14          HG21      VAL  14   6.967   2.285  -0.768
  110   HG22  VAL  14          HG22      VAL  14   5.452   3.053  -0.237
  111   HG23  VAL  14          HG23      VAL  14   6.797   4.054  -0.817
  112    H    ASP  15           H        ASP  15   5.004   3.244   3.408
  113    HA   ASP  15           HA       ASP  15   2.788   1.476   3.007
  114    HB2  ASP  15           HB2      ASP  15   2.926   4.342   4.005
  115    HB3  ASP  15           HB3      ASP  15   1.466   3.344   4.018
  116    H    ASP  16           H        ASP  16   0.791   1.881   1.880
  117    HA   ASP  16           HA       ASP  16   1.286   2.659  -0.816
  118    HB2  ASP  16           HB2      ASP  16  -1.289   2.051   0.666
  119    HB3  ASP  16           HB3      ASP  16  -1.182   2.290  -1.083
  120    H    SER  17           H        SER  17   0.712   4.637   1.860
  121    HA   SER  17           HA       SER  17  -0.871   6.657   0.475
  122    HB2  SER  17           HB2      SER  17  -1.094   6.298   2.883
  123    HB3  SER  17           HB3      SER  17   0.626   6.671   3.124
  124    HG   SER  17           HG       SER  17  -0.763   8.464   3.517
  125    H    LYS  18           H        LYS  18   2.481   5.788   0.603
  126    HA   LYS  18           HA       LYS  18   3.556   8.465   0.375
  127    HB2  LYS  18           HB2      LYS  18   4.647   5.664   0.193
  128    HB3  LYS  18           HB3      LYS  18   5.614   7.001  -0.444
  129    HG2  LYS  18           HG2      LYS  18   6.193   6.530   1.897
  130    HG3  LYS  18           HG3      LYS  18   5.530   8.168   1.695
  131    HD2  LYS  18           HD2      LYS  18   3.366   7.455   2.564
  132    HD3  LYS  18           HD3      LYS  18   3.904   5.762   2.612
  133    HE2  LYS  18           HE2      LYS  18   3.974   6.787   4.840
  134    HE3  LYS  18           HE3      LYS  18   5.602   6.338   4.291
  135    HZ1  LYS  18           HZ1      LYS  18   5.962   8.629   3.700
  136    HZ2  LYS  18           HZ2      LYS  18   4.435   9.039   4.165
  137    HZ3  LYS  18           HZ3      LYS  18   5.531   8.532   5.282
  138    H    VAL  19           H        VAL  19   1.882   6.516  -1.840
  139    HA   VAL  19           HA       VAL  19   2.882   8.159  -4.091
  140    HB   VAL  19           HB       VAL  19   2.636   5.142  -4.265
  141   HG11  VAL  19          HG11      VAL  19   3.688   7.254  -6.199
  142   HG12  VAL  19          HG12      VAL  19   3.765   5.499  -6.458
  143   HG13  VAL  19          HG13      VAL  19   2.187   6.312  -6.386
  144   HG21  VAL  19          HG21      VAL  19   5.125   6.887  -4.096
  145   HG22  VAL  19          HG22      VAL  19   4.593   5.671  -2.905
  146   HG23  VAL  19          HG23      VAL  19   5.113   5.163  -4.519
  147    H    GLY  20           H        GLY  20   1.373   8.564  -5.709
  148    HA2  GLY  20           HA2      GLY  20  -1.354   7.422  -5.291
  149    HA3  GLY  20           HA3      GLY  20  -1.090   9.145  -5.591
  150    HA   PRO  21           HA       PRO  21  -1.607   6.813  -9.633
  151    HB2  PRO  21           HB2      PRO  21  -3.920   8.037 -10.467
  152    HB3  PRO  21           HB3      PRO  21  -3.905   6.585  -9.413
  153    HG2  PRO  21           HG2      PRO  21  -4.270   9.480  -8.627
  154    HG3  PRO  21           HG3      PRO  21  -5.152   8.041  -8.028
  155    HD2  PRO  21           HD2      PRO  21  -3.054   9.215  -6.675
  156    HD3  PRO  21           HD3      PRO  21  -3.421   7.465  -6.569
  157    H    ASP  22           H        ASP  22  -1.547  10.108  -8.479
  158    HA   ASP  22           HA       ASP  22  -0.933  11.221 -11.114
  159    HB2  ASP  22           HB2      ASP  22  -0.608  13.345  -9.778
  160    HB3  ASP  22           HB3      ASP  22  -2.227  12.650  -9.780
  161    H    GLY  23           H        GLY  23   0.774   9.390  -8.965
  162    HA2  GLY  23           HA2      GLY  23   3.012   8.821  -9.083
  163    HA3  GLY  23           HA3      GLY  23   3.336  10.220 -10.120
  164    H    ARG  24           H        ARG  24   4.922   9.346  -7.877
  165    HA   ARG  24           HA       ARG  24   5.079  11.848  -6.386
  166    HB2  ARG  24           HB2      ARG  24   3.350  10.083  -5.320
  167    HB3  ARG  24           HB3      ARG  24   4.839   9.360  -4.695
  168    HG2  ARG  24           HG2      ARG  24   4.009  12.273  -4.311
  169    HG3  ARG  24           HG3      ARG  24   3.715  10.974  -3.142
  170    HD2  ARG  24           HD2      ARG  24   6.195  10.553  -3.075
  171    HD3  ARG  24           HD3      ARG  24   6.412  12.012  -4.069
  172    HE   ARG  24           HE       ARG  24   4.915  12.977  -2.024
  173   HH11  ARG  24          HH11      ARG  24   7.856  11.020  -2.111
  174   HH12  ARG  24          HH12      ARG  24   8.426  11.592  -0.561
  175   HH21  ARG  24          HH21      ARG  24   5.688  13.722  -0.009
  176   HH22  ARG  24          HH22      ARG  24   7.215  13.139   0.615
  177    H    VAL  25           H        VAL  25   7.211  12.208  -5.848
  178    HA   VAL  25           HA       VAL  25   9.183  10.331  -6.798
  179    HB   VAL  25           HB       VAL  25   9.339  12.845  -6.879
  180   HG11  VAL  25          HG11      VAL  25  10.116  12.506  -3.947
  181   HG12  VAL  25          HG12      VAL  25  10.180  14.007  -4.895
  182   HG13  VAL  25          HG13      VAL  25   8.610  13.263  -4.523
  183   HG21  VAL  25          HG21      VAL  25  11.643  11.380  -5.528
  184   HG22  VAL  25          HG22      VAL  25  11.286  11.368  -7.270
  185   HG23  VAL  25          HG23      VAL  25  11.752  12.887  -6.471
  186    H    VAL  26           H        VAL  26  10.826   9.247  -5.618
  187    HA   VAL  26           HA       VAL  26  10.332   8.937  -2.715
  188    HB   VAL  26           HB       VAL  26  10.379   6.590  -2.792
  189   HG11  VAL  26          HG11      VAL  26   8.212   7.581  -3.530
  190   HG12  VAL  26          HG12      VAL  26   8.746   7.441  -5.221
  191   HG13  VAL  26          HG13      VAL  26   8.506   5.982  -4.245
  192   HG21  VAL  26          HG21      VAL  26  12.206   6.292  -4.420
  193   HG22  VAL  26          HG22      VAL  26  10.806   5.290  -4.856
  194   HG23  VAL  26          HG23      VAL  26  11.122   6.793  -5.741
  195    H    ARG  27           H        ARG  27  12.204   7.626  -1.677
  196    HA   ARG  27           HA       ARG  27  14.776   8.301  -2.995
  197    HB2  ARG  27           HB2      ARG  27  15.637   9.253  -0.913
  198    HB3  ARG  27           HB3      ARG  27  14.230  10.166  -1.493
  199    HG2  ARG  27           HG2      ARG  27  12.779   8.957   0.119
  200    HG3  ARG  27           HG3      ARG  27  14.191   8.038   0.697
  201    HD2  ARG  27           HD2      ARG  27  15.301  10.169   1.322
  202    HD3  ARG  27           HD3      ARG  27  13.864  11.061   0.798
  203    HE   ARG  27           HE       ARG  27  12.681  10.302   2.685
  204   HH11  ARG  27          HH11      ARG  27  15.897   8.841   2.519
  205   HH12  ARG  27          HH12      ARG  27  15.856   8.268   4.171
  206   HH21  ARG  27          HH21      ARG  27  12.651   9.545   4.841
  207   HH22  ARG  27          HH22      ARG  27  14.016   8.658   5.474
  208    H    CYS  28           H        CYS  28  16.524   7.041  -2.395
  209    HA   CYS  28           HA       CYS  28  15.813   4.354  -1.502
  210    HB2  CYS  28           HB2      CYS  28  17.304   4.866  -3.453
  211    HB3  CYS  28           HB3      CYS  28  18.500   5.533  -2.326
  212    H    ALA  29           H        ALA  29  16.352   3.395   0.412
  213    HA   ALA  29           HA       ALA  29  17.387   5.090   2.554
  214    HB1  ALA  29           HB1      ALA  29  15.552   3.476   2.943
  215    HB2  ALA  29           HB2      ALA  29  16.628   2.141   2.472
  216    HB3  ALA  29           HB3      ALA  29  16.975   3.087   3.939
  217    H    SER  30           H        SER  30  18.826   3.228   0.084
  218    HA   SER  30           HA       SER  30  21.079   2.414   1.845
  219    HB2  SER  30           HB2      SER  30  19.955   1.224  -0.700
  220    HB3  SER  30           HB3      SER  30  21.516   0.744   0.003
  221    HG   SER  30           HG       SER  30  19.777  -0.567   0.730
  222    H    CYS  31           H        CYS  31  20.282   4.495  -0.854
  223    HA   CYS  31           HA       CYS  31  23.124   5.251  -0.896
  224    HB2  CYS  31           HB2      CYS  31  23.429   5.056  -3.256
  225    HB3  CYS  31           HB3      CYS  31  22.848   3.493  -2.646
  226    H    GLY  32           H        GLY  32  19.900   6.186  -0.828
  227    HA2  GLY  32           HA2      GLY  32  19.102   8.322  -0.541
  228    HA3  GLY  32           HA3      GLY  32  20.725   8.963  -0.874
  229    H    ASN  33           H        ASN  33  19.957   6.883  -3.390
  230    HA   ASN  33           HA       ASN  33  19.641   8.917  -5.345
  231    HB2  ASN  33           HB2      ASN  33  20.467   6.557  -5.672
  232    HB3  ASN  33           HB3      ASN  33  18.800   5.995  -5.475
  233   HD21  ASN  33          HD22      ASN  33  18.630   5.159  -7.597
  234   HD22  ASN  33          HD21      ASN  33  18.566   6.200  -8.998
  235    H    ARG  34           H        ARG  34  17.766   9.452  -6.640
  236    HA   ARG  34           HA       ARG  34  15.161   8.864  -5.334
  237    HB2  ARG  34           HB2      ARG  34  16.128  11.624  -6.173
  238    HB3  ARG  34           HB3      ARG  34  14.516  11.230  -5.546
  239    HG2  ARG  34           HG2      ARG  34  15.564  10.414  -3.432
  240    HG3  ARG  34           HG3      ARG  34  17.158  10.894  -4.052
  241    HD2  ARG  34           HD2      ARG  34  14.794  12.768  -3.636
  242    HD3  ARG  34           HD3      ARG  34  16.179  12.607  -2.540
  243    HE   ARG  34           HE       ARG  34  16.076  14.062  -5.055
  244   HH11  ARG  34          HH11      ARG  34  18.224  12.338  -2.826
  245   HH12  ARG  34          HH12      ARG  34  19.643  13.223  -3.328
  246   HH21  ARG  34          HH21      ARG  34  17.955  15.188  -5.702
  247   HH22  ARG  34          HH22      ARG  34  19.493  14.818  -4.964
  248    H    TRP  35           H        TRP  35  13.386   8.820  -6.683
  249    HA   TRP  35           HA       TRP  35  13.554   9.646  -9.469
  250    HB2  TRP  35           HB2      TRP  35  13.178   7.438 -10.415
  251    HB3  TRP  35           HB3      TRP  35  14.710   7.462  -9.542
  252    HD1  TRP  35           HD1      TRP  35  11.279   5.877  -9.548
  253    HE1  TRP  35           HE1      TRP  35  11.141   3.986  -7.847
  254    HE3  TRP  35           HE3      TRP  35  15.761   6.597  -7.186
  255    HZ2  TRP  35           HZ2      TRP  35  12.774   2.898  -5.722
  256    HZ3  TRP  35           HZ3      TRP  35  16.441   5.098  -5.340
  257    HH2  TRP  35           HH2      TRP  35  14.960   3.254  -4.599
  258    H    THR  36           H        THR  36  11.429   9.399 -10.540
  259    HA   THR  36           HA       THR  36   9.275   9.722  -8.647
  260    HB   THR  36           HB       THR  36   8.822   9.517 -11.599
  261    HG1  THR  36           HG1      THR  36   9.497  11.666 -11.742
  262   HG21  THR  36          HG21      THR  36   7.193  11.310 -11.065
  263   HG22  THR  36          HG22      THR  36   6.911   9.867 -10.073
  264   HG23  THR  36          HG23      THR  36   7.724  11.286  -9.364
  265    H    ALA  37           H        ALA  37   7.598   8.417  -8.110
  266    HA   ALA  37           HA       ALA  37   7.511   5.725  -9.389
  267    HB1  ALA  37           HB1      ALA  37   8.397   5.674  -7.071
  268    HB2  ALA  37           HB2      ALA  37   6.917   6.486  -6.502
  269    HB3  ALA  37           HB3      ALA  37   6.822   4.855  -7.202
  270    H    PHE  38           H        PHE  38   5.310   4.712  -9.250
  271    HA   PHE  38           HA       PHE  38   3.104   6.581  -8.864
  272    HB2  PHE  38           HB2      PHE  38   2.167   5.939 -11.173
  273    HB3  PHE  38           HB3      PHE  38   3.385   7.209 -11.026
  274    HD1  PHE  38           HD2      PHE  38   2.842   3.682 -12.052
  275    HD2  PHE  38           HD1      PHE  38   5.558   7.016 -11.984
  276    HE1  PHE  38           HE2      PHE  38   4.308   2.518 -13.683
  277    HE2  PHE  38           HE1      PHE  38   7.029   5.849 -13.611
  278    HZ   PHE  38           HZ       PHE  38   6.401   3.607 -14.465
  279    H    LYS  39           H        LYS  39   1.062   5.724  -8.602
  280    HA   LYS  39           HA       LYS  39   1.109   3.009  -7.546
  281    HB2  LYS  39           HB2      LYS  39  -0.038   4.796  -6.363
  282    HB3  LYS  39           HB3      LYS  39  -1.082   5.106  -7.765
  283    HG2  LYS  39           HG2      LYS  39  -2.208   3.026  -7.538
  284    HG3  LYS  39           HG3      LYS  39  -0.984   2.387  -6.412
  285    HD2  LYS  39           HD2      LYS  39  -2.761   4.779  -5.801
  286    HD3  LYS  39           HD3      LYS  39  -3.132   3.113  -5.302
  287    HE2  LYS  39           HE2      LYS  39  -0.957   2.995  -4.108
  288    HE3  LYS  39           HE3      LYS  39  -0.633   4.681  -4.546
  289    HZ1  LYS  39           HZ1      LYS  39  -2.887   3.744  -2.908
  290    HZ2  LYS  39           HZ2      LYS  39  -1.548   4.521  -2.358
  291    HZ3  LYS  39           HZ3      LYS  39  -2.607   5.310  -3.343
  292    H    ASP  40           H        ASP  40  -0.407   1.338  -8.126
  293    HA   ASP  40           HA       ASP  40  -1.597   1.471 -10.819
  294    HB2  ASP  40           HB2      ASP  40   0.821   0.756 -11.052
  295    HB3  ASP  40           HB3      ASP  40   0.457  -0.642 -10.032
  296    H    GLU  41           H        GLU  41  -2.417   1.258  -7.914
  297    HA   GLU  41           HA       GLU  41  -3.238  -1.436  -7.370
  298    HB2  GLU  41           HB2      GLU  41  -2.840   0.275  -5.658
  299    HB3  GLU  41           HB3      GLU  41  -4.170   1.265  -6.317
  300    HG2  GLU  41           HG2      GLU  41  -5.788  -0.462  -5.757
  301    HG3  GLU  41           HG3      GLU  41  -4.487  -1.540  -5.208
  302    H    ALA  42           H        ALA  42  -4.496   1.093  -9.414
  303    HA   ALA  42           HA       ALA  42  -6.761  -0.554 -10.193
  304    HB1  ALA  42           HB1      ALA  42  -8.449   1.189  -9.675
  305    HB2  ALA  42           HB2      ALA  42  -7.677   0.569  -8.197
  306    HB3  ALA  42           HB3      ALA  42  -7.197   2.148  -8.850
  307    H    GLU  43           H        GLU  43  -7.698   0.163 -12.176
  308    HA   GLU  43           HA       GLU  43  -6.593   2.534 -13.496
  309    HB2  GLU  43           HB2      GLU  43  -5.656  -0.233 -13.936
  310    HB3  GLU  43           HB3      GLU  43  -6.219   0.552 -15.418
  311    HG2  GLU  43           HG2      GLU  43  -4.142   1.674 -13.484
  312    HG3  GLU  43           HG3      GLU  43  -3.787   0.882 -15.027
  313    H    LEU  44           H        LEU  44  -7.607   2.796 -15.680
  314    HA   LEU  44           HA       LEU  44 -10.456   2.474 -15.467
  315    HB2  LEU  44           HB2      LEU  44  -8.550   3.492 -17.600
  316    HB3  LEU  44           HB3      LEU  44 -10.283   3.313 -17.923
  317    HG   LEU  44           HG       LEU  44 -10.781   4.771 -15.944
  318   HD11  LEU  44          HD11      LEU  44  -7.755   5.172 -15.978
  319   HD12  LEU  44          HD12      LEU  44  -8.896   6.242 -15.142
  320   HD13  LEU  44          HD13      LEU  44  -8.736   4.552 -14.623
  321   HD21  LEU  44          HD21      LEU  44  -8.957   5.955 -18.077
  322   HD22  LEU  44          HD22      LEU  44 -10.699   5.634 -18.261
  323   HD23  LEU  44          HD23      LEU  44 -10.140   6.857 -17.100
  324    H    GLU  45           H        GLU  45 -11.854   1.378 -17.009
  325    HA   GLU  45           HA       GLU  45 -11.074  -1.350 -17.423
  326    HB2  GLU  45           HB2      GLU  45 -13.362  -0.690 -16.910
  327    HB3  GLU  45           HB3      GLU  45 -13.463   0.263 -18.402
  328    HG2  GLU  45           HG2      GLU  45 -13.202  -1.760 -19.764
  329    HG3  GLU  45           HG3      GLU  45 -12.983  -2.743 -18.304
  330    H    LEU  46           H        LEU  46 -10.729  -2.501 -19.358
  331    HA   LEU  46           HA       LEU  46 -10.511  -1.047 -21.890
  332    HB2  LEU  46           HB2      LEU  46  -8.355  -0.554 -20.822
  333    HB3  LEU  46           HB3      LEU  46  -8.101  -2.276 -20.495
  334    HG   LEU  46           HG       LEU  46  -8.071  -2.723 -22.952
  335   HD11  LEU  46          HD11      LEU  46  -8.203   0.324 -23.154
  336   HD12  LEU  46          HD12      LEU  46  -7.862  -0.794 -24.498
  337   HD13  LEU  46          HD13      LEU  46  -9.451  -0.816 -23.711
  338   HD21  LEU  46          HD21      LEU  46  -6.143  -0.565 -22.011
  339   HD22  LEU  46          HD22      LEU  46  -5.982  -2.309 -21.702
  340   HD23  LEU  46          HD23      LEU  46  -5.875  -1.686 -23.364
  341    H    VAL  47           H        VAL  47 -10.436  -2.464 -23.694
  342    HA   VAL  47           HA       VAL  47 -11.785  -4.941 -23.285
  343    HB   VAL  47           HB       VAL  47 -11.628  -5.204 -25.693
  344   HG11  VAL  47          HG11      VAL  47 -11.960  -2.253 -24.971
  345   HG12  VAL  47          HG12      VAL  47 -12.618  -3.070 -26.400
  346   HG13  VAL  47          HG13      VAL  47 -13.208  -3.504 -24.779
  347   HG21  VAL  47          HG21      VAL  47  -9.265  -4.606 -26.025
  348   HG22  VAL  47          HG22      VAL  47 -10.310  -3.617 -27.064
  349   HG23  VAL  47          HG23      VAL  47  -9.618  -2.912 -25.591
  350    HA   PRO  48           HA       PRO  48  -8.410  -7.695 -22.681
  351    HB2  PRO  48           HB2      PRO  48  -9.515 -10.071 -23.489
  352    HB3  PRO  48           HB3      PRO  48 -10.027  -9.220 -21.993
  353    HG2  PRO  48           HG2      PRO  48 -11.354  -9.207 -24.716
  354    HG3  PRO  48           HG3      PRO  48 -12.116  -9.366 -23.096
  355    HD2  PRO  48           HD2      PRO  48 -11.995  -6.998 -24.490
  356    HD3  PRO  48           HD3      PRO  48 -11.966  -7.069 -22.698
  357    H    ARG  49           H        ARG  49  -9.850  -7.235 -25.851
  358    HA   ARG  49           HA       ARG  49  -7.285  -7.699 -27.142
  359    HB2  ARG  49           HB2      ARG  49  -8.111  -9.411 -28.707
  360    HB3  ARG  49           HB3      ARG  49  -8.127 -10.012 -27.046
  361    HG2  ARG  49           HG2      ARG  49 -10.568  -9.504 -26.896
  362    HG3  ARG  49           HG3      ARG  49 -10.542  -8.961 -28.589
  363    HD2  ARG  49           HD2      ARG  49  -9.761 -11.191 -29.301
  364    HD3  ARG  49           HD3      ARG  49  -9.767 -11.747 -27.620
  365    HE   ARG  49           HE       ARG  49 -12.101 -11.248 -29.358
  366   HH11  ARG  49          HH11      ARG  49 -10.879 -11.991 -26.123
  367   HH12  ARG  49          HH12      ARG  49 -12.412 -12.606 -25.554
  368   HH21  ARG  49          HH21      ARG  49 -14.096 -12.041 -28.588
  369   HH22  ARG  49          HH22      ARG  49 -14.236 -12.641 -26.952
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   3.724  -0.354  -0.051
    2    H2   MET   1           H2       MET   1   3.380  -1.870  -0.608
    3    H3   MET   1           H3       MET   1   2.405  -0.603  -0.997
    4    HA   MET   1           HA       MET   1   3.765  -1.205  -2.854
    5    HB2  MET   1           HB2      MET   1   3.131   1.073  -2.838
    6    HB3  MET   1           HB3      MET   1   4.264   1.468  -1.526
    7    HG2  MET   1           HG2      MET   1   6.174   1.063  -2.980
    8    HG3  MET   1           HG3      MET   1   5.109   0.533  -4.290
    9    HE1  MET   1           HE1      MET   1   2.812   2.495  -4.546
   10    HE2  MET   1           HE2      MET   1   3.512   3.732  -5.622
   11    HE3  MET   1           HE3      MET   1   3.875   2.010  -5.887
   12    H    ILE   2           H        ILE   2   5.767  -1.678  -3.761
   13    HA   ILE   2           HA       ILE   2   8.146  -1.233  -2.075
   14    HB   ILE   2           HB       ILE   2   7.161  -3.664  -1.955
   15   HG12  ILE   2          HG12      ILE   2  10.101  -3.288  -2.636
   16   HG13  ILE   2          HG13      ILE   2   9.359  -2.741  -1.114
   17   HG21  ILE   2          HG21      ILE   2   8.780  -3.844  -4.533
   18   HG22  ILE   2          HG22      ILE   2   7.984  -5.179  -3.680
   19   HG23  ILE   2          HG23      ILE   2   6.999  -3.930  -4.461
   20   HD11  ILE   2          HD11      ILE   2   8.621  -5.045  -0.626
   21   HD12  ILE   2          HD12      ILE   2   9.433  -5.612  -2.112
   22   HD13  ILE   2          HD13      ILE   2  10.382  -4.913  -0.773
   23    H    LEU   3           H        LEU   3   9.997  -0.749  -3.273
   24    HA   LEU   3           HA       LEU   3   9.648  -0.528  -6.225
   25    HB2  LEU   3           HB2      LEU   3  10.595   1.606  -4.282
   26    HB3  LEU   3           HB3      LEU   3  10.729   1.735  -6.046
   27    HG   LEU   3           HG       LEU   3   8.068   1.347  -4.589
   28   HD11  LEU   3          HD11      LEU   3   7.740   3.756  -4.964
   29   HD12  LEU   3          HD12      LEU   3   9.157   3.466  -3.934
   30   HD13  LEU   3          HD13      LEU   3   9.374   3.881  -5.655
   31   HD21  LEU   3          HD21      LEU   3   8.067   0.677  -6.976
   32   HD22  LEU   3          HD22      LEU   3   7.155   2.184  -6.741
   33   HD23  LEU   3          HD23      LEU   3   8.800   2.245  -7.409
   34    H    THR   4           H        THR   4  11.576  -0.644  -7.435
   35    HA   THR   4           HA       THR   4  13.864  -1.709  -5.914
   36    HB   THR   4           HB       THR   4  13.688  -1.841  -8.894
   37    HG1  THR   4           HG1      THR   4  12.542  -3.763  -8.647
   38   HG21  THR   4          HG21      THR   4  14.836  -3.686  -6.751
   39   HG22  THR   4          HG22      THR   4  14.965  -3.925  -8.504
   40   HG23  THR   4          HG23      THR   4  15.773  -2.539  -7.741
   41    H    CYS   5           H        CYS   5  15.836  -0.804  -5.809
   42    HA   CYS   5           HA       CYS   5  16.147   1.910  -6.820
   43    HB2  CYS   5           HB2      CYS   5  16.973   1.211  -4.598
   44    HB3  CYS   5           HB3      CYS   5  18.058   0.035  -5.378
   45    HA   PRO   6           HA       PRO   6  18.149   0.509 -10.574
   46    HB2  PRO   6           HB2      PRO   6  19.082   2.906 -11.491
   47    HB3  PRO   6           HB3      PRO   6  17.342   2.471 -11.531
   48    HG2  PRO   6           HG2      PRO   6  18.809   4.163  -9.511
   49    HG3  PRO   6           HG3      PRO   6  17.225   4.485 -10.291
   50    HD2  PRO   6           HD2      PRO   6  17.465   3.391  -7.773
   51    HD3  PRO   6           HD3      PRO   6  16.113   2.980  -8.878
   52    H    GLU   7           H        GLU   7  19.656   2.018  -7.820
   53    HA   GLU   7           HA       GLU   7  22.371   1.493  -8.923
   54    HB2  GLU   7           HB2      GLU   7  21.493   3.055  -6.464
   55    HB3  GLU   7           HB3      GLU   7  23.155   2.909  -7.054
   56    HG2  GLU   7           HG2      GLU   7  20.837   4.146  -8.603
   57    HG3  GLU   7           HG3      GLU   7  22.056   5.053  -7.700
   58    H    CYS   8           H        CYS   8  20.249   0.763  -6.103
   59    HA   CYS   8           HA       CYS   8  22.292  -1.050  -5.008
   60    HB2  CYS   8           HB2      CYS   8  19.440  -0.495  -4.085
   61    HB3  CYS   8           HB3      CYS   8  20.661  -1.448  -3.223
   62    H    ALA   9           H        ALA   9  19.660  -1.189  -7.234
   63    HA   ALA   9           HA       ALA   9  18.553  -2.873  -8.274
   64    HB1  ALA   9           HB1      ALA   9  20.848  -3.328  -9.050
   65    HB2  ALA   9           HB2      ALA   9  21.096  -4.424  -7.667
   66    HB3  ALA   9           HB3      ALA   9  19.887  -4.816  -8.918
   67    H    SER  10           H        SER  10  17.974  -2.535  -5.496
   68    HA   SER  10           HA       SER  10  17.085  -5.290  -4.806
   69    HB2  SER  10           HB2      SER  10  18.438  -3.271  -2.974
   70    HB3  SER  10           HB3      SER  10  17.590  -4.732  -2.416
   71    HG   SER  10           HG       SER  10  19.853  -4.590  -4.124
   72    H    ARG  11           H        ARG  11  15.328  -5.269  -3.155
   73    HA   ARG  11           HA       ARG  11  13.330  -3.292  -4.009
   74    HB2  ARG  11           HB2      ARG  11  13.094  -5.674  -2.131
   75    HB3  ARG  11           HB3      ARG  11  11.758  -4.768  -2.856
   76    HG2  ARG  11           HG2      ARG  11  13.826  -6.409  -4.389
   77    HG3  ARG  11           HG3      ARG  11  12.159  -6.892  -4.047
   78    HD2  ARG  11           HD2      ARG  11  11.337  -4.921  -5.315
   79    HD3  ARG  11           HD3      ARG  11  13.010  -4.480  -5.706
   80    HE   ARG  11           HE       ARG  11  13.130  -6.811  -6.791
   81   HH11  ARG  11          HH11      ARG  11  10.178  -4.861  -6.645
   82   HH12  ARG  11          HH12      ARG  11   9.485  -5.596  -8.074
   83   HH21  ARG  11          HH21      ARG  11  12.207  -7.737  -8.650
   84   HH22  ARG  11          HH22      ARG  11  10.633  -7.221  -9.207
   85    H    TYR  12           H        TYR  12  12.096  -2.009  -2.618
   86    HA   TYR  12           HA       TYR  12  12.757  -1.923   0.216
   87    HB2  TYR  12           HB2      TYR  12  14.432  -0.439  -0.394
   88    HB3  TYR  12           HB3      TYR  12  13.447   0.314  -1.651
   89    HD1  TYR  12           HD1      TYR  12  14.152   0.200   1.964
   90    HD2  TYR  12           HD2      TYR  12  11.787   2.009  -1.135
   91    HE1  TYR  12           HE1      TYR  12  13.449   1.983   3.543
   92    HE2  TYR  12           HE2      TYR  12  11.102   3.811   0.419
   93    HH   TYR  12           HH       TYR  12  11.254   4.636   2.558
   94    H    PHE  13           H        PHE  13  11.091  -1.397   1.517
   95    HA   PHE  13           HA       PHE  13   8.584  -1.022   0.026
   96    HB2  PHE  13           HB2      PHE  13   7.557  -1.986   2.174
   97    HB3  PHE  13           HB3      PHE  13   8.405  -3.030   1.040
   98    HD1  PHE  13           HD2      PHE  13   8.694  -1.301   4.319
   99    HD2  PHE  13           HD1      PHE  13  10.405  -4.200   1.648
  100    HE1  PHE  13           HE2      PHE  13  10.185  -2.088   6.133
  101    HE2  PHE  13           HE1      PHE  13  11.902  -4.988   3.457
  102    HZ   PHE  13           HZ       PHE  13  11.789  -3.939   5.709
  103    H    VAL  14           H        VAL  14   6.855   0.208   0.665
  104    HA   VAL  14           HA       VAL  14   7.132   2.034   2.909
  105    HB   VAL  14           HB       VAL  14   8.404   3.134   1.036
  106   HG11  VAL  14          HG11      VAL  14   6.990   2.331  -0.837
  107   HG12  VAL  14          HG12      VAL  14   5.641   3.328  -0.245
  108   HG13  VAL  14          HG13      VAL  14   7.130   4.106  -0.822
  109   HG21  VAL  14          HG21      VAL  14   7.289   4.390   2.893
  110   HG22  VAL  14          HG22      VAL  14   7.423   5.318   1.381
  111   HG23  VAL  14          HG23      VAL  14   5.863   4.603   1.846
  112    H    ASP  15           H        ASP  15   5.127   3.254   3.310
  113    HA   ASP  15           HA       ASP  15   2.830   1.619   2.900
  114    HB2  ASP  15           HB2      ASP  15   3.114   4.474   3.884
  115    HB3  ASP  15           HB3      ASP  15   1.605   3.552   3.918
  116    H    ASP  16           H        ASP  16   0.856   2.078   1.799
  117    HA   ASP  16           HA       ASP  16   1.293   2.953  -0.886
  118    HB2  ASP  16           HB2      ASP  16  -1.224   2.245   0.655
  119    HB3  ASP  16           HB3      ASP  16  -1.201   2.620  -1.075
  120    H    SER  17           H        SER  17   0.773   4.804   1.904
  121    HA   SER  17           HA       SER  17  -0.783   6.921   0.642
  122    HB2  SER  17           HB2      SER  17  -0.906   6.479   3.059
  123    HB3  SER  17           HB3      SER  17   0.834   6.793   3.220
  124    HG   SER  17           HG       SER  17  -1.177   8.626   2.421
  125    H    LYS  18           H        LYS  18   2.518   5.922   0.547
  126    HA   LYS  18           HA       LYS  18   3.764   8.512   0.349
  127    HB2  LYS  18           HB2      LYS  18   4.958   6.530   1.086
  128    HB3  LYS  18           HB3      LYS  18   4.611   5.701  -0.445
  129    HG2  LYS  18           HG2      LYS  18   6.913   6.543  -0.375
  130    HG3  LYS  18           HG3      LYS  18   5.984   7.328  -1.669
  131    HD2  LYS  18           HD2      LYS  18   5.623   9.304  -0.196
  132    HD3  LYS  18           HD3      LYS  18   6.555   8.502   1.089
  133    HE2  LYS  18           HE2      LYS  18   8.526   8.418  -0.398
  134    HE3  LYS  18           HE3      LYS  18   7.593   9.188  -1.693
  135    HZ1  LYS  18           HZ1      LYS  18   8.909  10.793  -0.528
  136    HZ2  LYS  18           HZ2      LYS  18   7.316  11.100  -0.259
  137    HZ3  LYS  18           HZ3      LYS  18   8.221  10.394   0.916
  138    H    VAL  19           H        VAL  19   1.882   6.592  -1.870
  139    HA   VAL  19           HA       VAL  19   2.678   8.401  -4.075
  140    HB   VAL  19           HB       VAL  19   2.588   5.384  -4.397
  141   HG11  VAL  19          HG11      VAL  19   3.431   7.666  -6.236
  142   HG12  VAL  19          HG12      VAL  19   3.656   5.936  -6.584
  143   HG13  VAL  19          HG13      VAL  19   2.014   6.601  -6.444
  144   HG21  VAL  19          HG21      VAL  19   5.067   5.617  -4.750
  145   HG22  VAL  19          HG22      VAL  19   4.956   7.289  -4.154
  146   HG23  VAL  19          HG23      VAL  19   4.555   5.926  -3.077
  147    H    GLY  20           H        GLY  20   1.121   8.704  -5.686
  148    HA2  GLY  20           HA2      GLY  20  -1.553   7.461  -5.177
  149    HA3  GLY  20           HA3      GLY  20  -1.358   9.191  -5.513
  150    HA   PRO  21           HA       PRO  21  -1.989   6.827  -9.495
  151    HB2  PRO  21           HB2      PRO  21  -4.161   8.271 -10.395
  152    HB3  PRO  21           HB3      PRO  21  -4.304   6.850  -9.308
  153    HG2  PRO  21           HG2      PRO  21  -4.349   9.789  -8.585
  154    HG3  PRO  21           HG3      PRO  21  -5.402   8.470  -7.978
  155    HD2  PRO  21           HD2      PRO  21  -3.214   9.417  -6.602
  156    HD3  PRO  21           HD3      PRO  21  -3.741   7.707  -6.497
  157    H    ASP  22           H        ASP  22  -1.570  10.131  -8.473
  158    HA   ASP  22           HA       ASP  22  -0.854  11.074 -11.154
  159    HB2  ASP  22           HB2      ASP  22  -0.390  13.232  -9.917
  160    HB3  ASP  22           HB3      ASP  22  -2.059  12.656  -9.928
  161    H    GLY  23           H        GLY  23   0.684   9.270  -8.818
  162    HA2  GLY  23           HA2      GLY  23   2.873   8.567  -8.739
  163    HA3  GLY  23           HA3      GLY  23   3.298   9.741  -9.999
  164    H    ARG  24           H        ARG  24   4.901   9.203  -7.741
  165    HA   ARG  24           HA       ARG  24   5.185  11.887  -6.651
  166    HB2  ARG  24           HB2      ARG  24   3.484  10.810  -5.134
  167    HB3  ARG  24           HB3      ARG  24   4.660   9.523  -4.804
  168    HG2  ARG  24           HG2      ARG  24   4.671  11.171  -2.995
  169    HG3  ARG  24           HG3      ARG  24   6.219  11.203  -3.847
  170    HD2  ARG  24           HD2      ARG  24   5.504  13.203  -5.118
  171    HD3  ARG  24           HD3      ARG  24   3.907  13.128  -4.359
  172    HE   ARG  24           HE       ARG  24   6.438  14.047  -3.146
  173   HH11  ARG  24          HH11      ARG  24   3.056  13.133  -2.647
  174   HH12  ARG  24          HH12      ARG  24   2.937  13.967  -1.116
  175   HH21  ARG  24          HH21      ARG  24   6.243  15.140  -1.145
  176   HH22  ARG  24          HH22      ARG  24   4.731  15.091  -0.267
  177    H    VAL  25           H        VAL  25   7.306  12.230  -5.859
  178    HA   VAL  25           HA       VAL  25   9.270  10.321  -6.801
  179    HB   VAL  25           HB       VAL  25   9.493  12.812  -6.936
  180   HG11  VAL  25          HG11      VAL  25  10.104  12.554  -3.959
  181   HG12  VAL  25          HG12      VAL  25  10.263  14.019  -4.948
  182   HG13  VAL  25          HG13      VAL  25   8.652  13.326  -4.652
  183   HG21  VAL  25          HG21      VAL  25  11.888  12.831  -6.400
  184   HG22  VAL  25          HG22      VAL  25  11.700  11.361  -5.418
  185   HG23  VAL  25          HG23      VAL  25  11.433  11.297  -7.178
  186    H    VAL  26           H        VAL  26  10.829   9.194  -5.617
  187    HA   VAL  26           HA       VAL  26  10.303   8.894  -2.711
  188    HB   VAL  26           HB       VAL  26  10.424   6.540  -2.812
  189   HG11  VAL  26          HG11      VAL  26   8.237   7.505  -3.517
  190   HG12  VAL  26          HG12      VAL  26   8.762   7.410  -5.218
  191   HG13  VAL  26          HG13      VAL  26   8.552   5.927  -4.269
  192   HG21  VAL  26          HG21      VAL  26  12.243   6.314  -4.461
  193   HG22  VAL  26          HG22      VAL  26  10.874   5.279  -4.894
  194   HG23  VAL  26          HG23      VAL  26  11.130   6.804  -5.765
  195    H    ARG  27           H        ARG  27  12.186   7.587  -1.659
  196    HA   ARG  27           HA       ARG  27  14.778   8.346  -2.887
  197    HB2  ARG  27           HB2      ARG  27  14.179  10.190  -1.402
  198    HB3  ARG  27           HB3      ARG  27  13.847   9.048  -0.081
  199    HG2  ARG  27           HG2      ARG  27  16.219   8.339  -0.082
  200    HG3  ARG  27           HG3      ARG  27  16.550   9.436  -1.441
  201    HD2  ARG  27           HD2      ARG  27  17.242  10.483   0.649
  202    HD3  ARG  27           HD3      ARG  27  15.866  11.359  -0.033
  203    HE   ARG  27           HE       ARG  27  14.553  10.731   1.773
  204   HH11  ARG  27          HH11      ARG  27  17.524   8.809   1.748
  205   HH12  ARG  27          HH12      ARG  27  17.242   8.144   3.340
  206   HH21  ARG  27          HH21      ARG  27  14.211   9.842   3.848
  207   HH22  ARG  27          HH22      ARG  27  15.373   8.724   4.523
  208    H    CYS  28           H        CYS  28  16.445   6.973  -2.485
  209    HA   CYS  28           HA       CYS  28  15.783   4.333  -1.487
  210    HB2  CYS  28           HB2      CYS  28  17.260   4.827  -3.453
  211    HB3  CYS  28           HB3      CYS  28  18.454   5.526  -2.341
  212    H    ALA  29           H        ALA  29  16.269   3.444   0.465
  213    HA   ALA  29           HA       ALA  29  17.351   5.168   2.556
  214    HB1  ALA  29           HB1      ALA  29  16.518   2.240   2.551
  215    HB2  ALA  29           HB2      ALA  29  16.887   3.211   3.994
  216    HB3  ALA  29           HB3      ALA  29  15.479   3.620   2.984
  217    H    SER  30           H        SER  30  18.749   3.225   0.129
  218    HA   SER  30           HA       SER  30  20.986   2.393   1.904
  219    HB2  SER  30           HB2      SER  30  19.861   1.233  -0.661
  220    HB3  SER  30           HB3      SER  30  21.418   0.731   0.042
  221    HG   SER  30           HG       SER  30  19.676  -0.573   0.756
  222    H    CYS  31           H        CYS  31  20.223   4.495  -0.793
  223    HA   CYS  31           HA       CYS  31  23.058   5.263  -0.774
  224    HB2  CYS  31           HB2      CYS  31  23.409   5.092  -3.132
  225    HB3  CYS  31           HB3      CYS  31  22.845   3.516  -2.541
  226    H    GLY  32           H        GLY  32  19.823   6.180  -0.779
  227    HA2  GLY  32           HA2      GLY  32  19.028   8.325  -0.467
  228    HA3  GLY  32           HA3      GLY  32  20.648   8.960  -0.794
  229    H    ASN  33           H        ASN  33  19.885   6.883  -3.317
  230    HA   ASN  33           HA       ASN  33  19.607   8.925  -5.258
  231    HB2  ASN  33           HB2      ASN  33  20.437   6.578  -5.597
  232    HB3  ASN  33           HB3      ASN  33  18.770   6.007  -5.440
  233   HD21  ASN  33          HD22      ASN  33  18.726   5.172  -7.576
  234   HD22  ASN  33          HD21      ASN  33  18.666   6.223  -8.973
  235    H    ARG  34           H        ARG  34  17.743   9.464  -6.590
  236    HA   ARG  34           HA       ARG  34  15.119   8.903  -5.305
  237    HB2  ARG  34           HB2      ARG  34  16.067  11.631  -6.274
  238    HB3  ARG  34           HB3      ARG  34  14.485  11.247  -5.572
  239    HG2  ARG  34           HG2      ARG  34  15.607  10.585  -3.449
  240    HG3  ARG  34           HG3      ARG  34  17.177  11.042  -4.151
  241    HD2  ARG  34           HD2      ARG  34  16.308  13.349  -4.530
  242    HD3  ARG  34           HD3      ARG  34  14.792  12.883  -3.741
  243    HE   ARG  34           HE       ARG  34  17.392  12.638  -2.296
  244   HH11  ARG  34          HH11      ARG  34  14.182  14.093  -2.582
  245   HH12  ARG  34          HH12      ARG  34  14.238  14.816  -0.990
  246   HH21  ARG  34          HH21      ARG  34  17.445  13.600  -0.229
  247   HH22  ARG  34          HH22      ARG  34  16.084  14.548   0.331
  248    H    TRP  35           H        TRP  35  13.353   8.820  -6.662
  249    HA   TRP  35           HA       TRP  35  13.530   9.596  -9.458
  250    HB2  TRP  35           HB2      TRP  35  13.165   7.386 -10.389
  251    HB3  TRP  35           HB3      TRP  35  14.700   7.433  -9.528
  252    HD1  TRP  35           HD1      TRP  35  11.291   5.796  -9.491
  253    HE1  TRP  35           HE1      TRP  35  11.202   3.909  -7.789
  254    HE3  TRP  35           HE3      TRP  35  15.799   6.573  -7.200
  255    HZ2  TRP  35           HZ2      TRP  35  12.873   2.852  -5.683
  256    HZ3  TRP  35           HZ3      TRP  35  16.520   5.103  -5.356
  257    HH2  TRP  35           HH2      TRP  35  15.065   3.247  -4.577
  258    H    THR  36           H        THR  36  11.422   9.312 -10.549
  259    HA   THR  36           HA       THR  36   9.259   9.683  -8.687
  260    HB   THR  36           HB       THR  36   8.816   9.337 -11.631
  261    HG1  THR  36           HG1      THR  36   9.468  11.500 -11.863
  262   HG21  THR  36          HG21      THR  36   7.691  11.192  -9.496
  263   HG22  THR  36          HG22      THR  36   7.186  11.150 -11.201
  264   HG23  THR  36          HG23      THR  36   6.887   9.749 -10.151
  265    H    ALA  37           H        ALA  37   7.569   8.409  -8.127
  266    HA   ALA  37           HA       ALA  37   7.555   5.637  -9.232
  267    HB1  ALA  37           HB1      ALA  37   6.817   4.892  -7.027
  268    HB2  ALA  37           HB2      ALA  37   8.372   5.740  -6.897
  269    HB3  ALA  37           HB3      ALA  37   6.858   6.559  -6.418
  270    H    PHE  38           H        PHE  38   5.403   4.576  -9.112
  271    HA   PHE  38           HA       PHE  38   3.120   6.370  -8.863
  272    HB2  PHE  38           HB2      PHE  38   2.235   5.490 -11.117
  273    HB3  PHE  38           HB3      PHE  38   3.370   6.842 -11.060
  274    HD1  PHE  38           HD1      PHE  38   2.977   3.288 -11.955
  275    HD2  PHE  38           HD2      PHE  38   5.647   6.661 -11.874
  276    HE1  PHE  38           HE1      PHE  38   4.525   2.103 -13.487
  277    HE2  PHE  38           HE2      PHE  38   7.197   5.470 -13.392
  278    HZ   PHE  38           HZ       PHE  38   6.642   3.193 -14.205
  279    H    LYS  39           H        LYS  39   1.111   5.430  -8.521
  280    HA   LYS  39           HA       LYS  39   1.359   2.918  -7.111
  281    HB2  LYS  39           HB2      LYS  39  -0.004   4.715  -6.235
  282    HB3  LYS  39           HB3      LYS  39  -1.019   4.720  -7.688
  283    HG2  LYS  39           HG2      LYS  39  -1.931   2.560  -7.197
  284    HG3  LYS  39           HG3      LYS  39  -0.690   2.231  -5.971
  285    HD2  LYS  39           HD2      LYS  39  -2.764   4.444  -5.738
  286    HD3  LYS  39           HD3      LYS  39  -2.937   2.835  -5.010
  287    HE2  LYS  39           HE2      LYS  39  -0.811   3.159  -3.779
  288    HE3  LYS  39           HE3      LYS  39  -0.674   4.793  -4.450
  289    HZ1  LYS  39           HZ1      LYS  39  -2.849   3.833  -2.721
  290    HZ2  LYS  39           HZ2      LYS  39  -1.631   4.855  -2.282
  291    HZ3  LYS  39           HZ3      LYS  39  -2.755   5.338  -3.381
  292    H    ASP  40           H        ASP  40   0.294   0.978  -7.492
  293    HA   ASP  40           HA       ASP  40  -1.186   0.493  -9.961
  294    HB2  ASP  40           HB2      ASP  40   1.237   0.596 -10.692
  295    HB3  ASP  40           HB3      ASP  40   1.573  -0.750  -9.595
  296    H    GLU  41           H        GLU  41   0.127  -0.359  -6.841
  297    HA   GLU  41           HA       GLU  41  -0.509  -3.145  -6.831
  298    HB2  GLU  41           HB2      GLU  41   1.193  -2.104  -5.415
  299    HB3  GLU  41           HB3      GLU  41  -0.041  -1.116  -4.604
  300    HG2  GLU  41           HG2      GLU  41  -1.091  -3.072  -3.655
  301    HG3  GLU  41           HG3      GLU  41  -0.069  -4.154  -4.629
  302    H    ALA  42           H        ALA  42  -2.501  -0.311  -6.559
  303    HA   ALA  42           HA       ALA  42  -4.735  -2.002  -5.639
  304    HB1  ALA  42           HB1      ALA  42  -3.755  -0.952  -3.621
  305    HB2  ALA  42           HB2      ALA  42  -3.989   0.656  -4.350
  306    HB3  ALA  42           HB3      ALA  42  -5.399  -0.346  -3.941
  307    H    GLU  43           H        GLU  43  -3.853  -0.626  -8.201
  308    HA   GLU  43           HA       GLU  43  -5.816   1.457  -8.660
  309    HB2  GLU  43           HB2      GLU  43  -3.993  -0.186 -10.439
  310    HB3  GLU  43           HB3      GLU  43  -5.112   1.030 -11.079
  311    HG2  GLU  43           HG2      GLU  43  -2.983   1.579  -8.965
  312    HG3  GLU  43           HG3      GLU  43  -2.791   1.901 -10.694
  313    H    LEU  44           H        LEU  44  -7.519   1.303 -10.303
  314    HA   LEU  44           HA       LEU  44  -9.294  -0.864  -9.743
  315    HB2  LEU  44           HB2      LEU  44 -10.037   1.408 -10.309
  316    HB3  LEU  44           HB3      LEU  44  -9.321   1.255 -11.923
  317    HG   LEU  44           HG       LEU  44 -10.877  -0.651 -12.406
  318   HD11  LEU  44          HD11      LEU  44 -12.106   0.175  -9.734
  319   HD12  LEU  44          HD12      LEU  44 -12.829  -0.961 -10.895
  320   HD13  LEU  44          HD13      LEU  44 -11.315  -1.388 -10.085
  321   HD21  LEU  44          HD21      LEU  44 -11.412   1.657 -13.089
  322   HD22  LEU  44          HD22      LEU  44 -12.883   0.757 -12.659
  323   HD23  LEU  44          HD23      LEU  44 -12.201   1.944 -11.522
  324    H    GLU  45           H        GLU  45  -9.865  -2.686 -10.929
  325    HA   GLU  45           HA       GLU  45  -7.832  -3.787 -12.632
  326    HB2  GLU  45           HB2      GLU  45 -10.659  -4.757 -12.032
  327    HB3  GLU  45           HB3      GLU  45  -9.391  -5.676 -12.853
  328    HG2  GLU  45           HG2      GLU  45  -9.167  -6.449 -10.688
  329    HG3  GLU  45           HG3      GLU  45  -7.942  -5.179 -10.733
  330    H    LEU  46           H        LEU  46  -8.165  -4.614 -14.820
  331    HA   LEU  46           HA       LEU  46  -9.208  -2.598 -16.565
  332    HB2  LEU  46           HB2      LEU  46  -8.349  -3.889 -18.314
  333    HB3  LEU  46           HB3      LEU  46  -7.248  -4.196 -16.970
  334    HG   LEU  46           HG       LEU  46  -9.544  -6.035 -17.812
  335   HD11  LEU  46          HD11      LEU  46  -6.545  -6.243 -18.284
  336   HD12  LEU  46          HD12      LEU  46  -7.764  -7.471 -18.715
  337   HD13  LEU  46          HD13      LEU  46  -7.780  -5.888 -19.518
  338   HD21  LEU  46          HD21      LEU  46  -8.988  -6.357 -15.450
  339   HD22  LEU  46          HD22      LEU  46  -8.314  -7.700 -16.393
  340   HD23  LEU  46          HD23      LEU  46  -7.248  -6.395 -15.831
  341    H    VAL  47           H        VAL  47 -10.837  -2.938 -18.264
  342    HA   VAL  47           HA       VAL  47 -13.293  -3.854 -17.131
  343    HB   VAL  47           HB       VAL  47 -14.322  -3.100 -19.149
  344   HG11  VAL  47          HG11      VAL  47 -11.878  -1.348 -18.635
  345   HG12  VAL  47          HG12      VAL  47 -13.417  -0.835 -19.358
  346   HG13  VAL  47          HG13      VAL  47 -13.367  -1.346 -17.659
  347   HG21  VAL  47          HG21      VAL  47 -12.886  -4.206 -20.801
  348   HG22  VAL  47          HG22      VAL  47 -13.008  -2.471 -21.151
  349   HG23  VAL  47          HG23      VAL  47 -11.539  -3.115 -20.386
  350    HA   PRO  48           HA       PRO  48 -13.366  -8.064 -18.412
  351    HB2  PRO  48           HB2      PRO  48 -16.075  -8.499 -18.681
  352    HB3  PRO  48           HB3      PRO  48 -15.261  -8.315 -17.095
  353    HG2  PRO  48           HG2      PRO  48 -16.790  -6.240 -18.680
  354    HG3  PRO  48           HG3      PRO  48 -16.858  -6.575 -16.924
  355    HD2  PRO  48           HD2      PRO  48 -15.359  -4.535 -18.001
  356    HD3  PRO  48           HD3      PRO  48 -14.850  -5.422 -16.532
  357    H    ARG  49           H        ARG  49 -13.964  -9.472 -20.224
  358    HA   ARG  49           HA       ARG  49 -13.670  -8.135 -22.769
  359    HB2  ARG  49           HB2      ARG  49 -14.258 -11.038 -22.072
  360    HB3  ARG  49           HB3      ARG  49 -13.812 -10.433 -23.680
  361    HG2  ARG  49           HG2      ARG  49 -11.670  -9.577 -22.758
  362    HG3  ARG  49           HG3      ARG  49 -12.102 -10.235 -21.162
  363    HD2  ARG  49           HD2      ARG  49 -12.227 -12.512 -22.143
  364    HD3  ARG  49           HD3      ARG  49 -11.777 -11.848 -23.721
  365    HE   ARG  49           HE       ARG  49  -9.571 -11.480 -22.964
  366   HH11  ARG  49          HH11      ARG  49 -11.625 -12.805 -20.419
  367   HH12  ARG  49          HH12      ARG  49 -10.274 -13.277 -19.407
  368   HH21  ARG  49          HH21      ARG  49  -7.827 -12.112 -21.640
  369   HH22  ARG  49          HH22      ARG  49  -8.132 -12.894 -20.105
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1   3.534  -1.910   0.029
    2    H2   MET   1           H2       MET   1   2.334  -0.949  -0.573
    3    H3   MET   1           H3       MET   1   3.725  -0.279  -0.009
    4    HA   MET   1           HA       MET   1   3.552  -2.082  -2.316
    5    HB2  MET   1           HB2      MET   1   3.937  -0.097  -3.709
    6    HB3  MET   1           HB3      MET   1   2.431   0.044  -2.788
    7    HG2  MET   1           HG2      MET   1   3.668   1.403  -1.076
    8    HG3  MET   1           HG3      MET   1   5.094   1.352  -2.114
    9    HE1  MET   1           HE1      MET   1   5.341   2.568  -4.398
   10    HE2  MET   1           HE2      MET   1   3.935   1.676  -5.033
   11    HE3  MET   1           HE3      MET   1   4.022   3.440  -5.217
   12    H    ILE   2           H        ILE   2   5.603  -1.846  -3.691
   13    HA   ILE   2           HA       ILE   2   7.963  -1.259  -2.015
   14    HB   ILE   2           HB       ILE   2   7.117  -3.757  -1.992
   15   HG12  ILE   2          HG12      ILE   2  10.038  -3.240  -2.629
   16   HG13  ILE   2          HG13      ILE   2   9.281  -2.710  -1.113
   17   HG21  ILE   2          HG21      ILE   2   8.779  -3.755  -4.544
   18   HG22  ILE   2          HG22      ILE   2   8.034  -5.153  -3.747
   19   HG23  ILE   2          HG23      ILE   2   7.000  -3.929  -4.498
   20   HD11  ILE   2          HD11      ILE   2   8.598  -5.025  -0.615
   21   HD12  ILE   2          HD12      ILE   2   9.384  -5.584  -2.112
   22   HD13  ILE   2          HD13      ILE   2  10.361  -4.887  -0.797
   23    H    LEU   3           H        LEU   3   9.848  -0.779  -3.191
   24    HA   LEU   3           HA       LEU   3   9.524  -0.446  -6.134
   25    HB2  LEU   3           HB2      LEU   3  10.552   1.612  -4.143
   26    HB3  LEU   3           HB3      LEU   3  10.621   1.783  -5.906
   27    HG   LEU   3           HG       LEU   3   8.019   1.395  -4.366
   28   HD11  LEU   3          HD11      LEU   3   9.162   3.487  -3.688
   29   HD12  LEU   3          HD12      LEU   3   9.292   3.957  -5.400
   30   HD13  LEU   3          HD13      LEU   3   7.693   3.814  -4.637
   31   HD21  LEU   3          HD21      LEU   3   7.029   2.293  -6.458
   32   HD22  LEU   3          HD22      LEU   3   8.654   2.375  -7.186
   33   HD23  LEU   3          HD23      LEU   3   7.934   0.801  -6.777
   34    H    THR   4           H        THR   4  11.463  -0.557  -7.339
   35    HA   THR   4           HA       THR   4  13.726  -1.698  -5.811
   36    HB   THR   4           HB       THR   4  13.447  -1.848  -8.804
   37    HG1  THR   4           HG1      THR   4  11.577  -2.724  -7.999
   38   HG21  THR   4          HG21      THR   4  14.784  -3.630  -6.722
   39   HG22  THR   4          HG22      THR   4  14.826  -3.867  -8.482
   40   HG23  THR   4          HG23      THR   4  15.625  -2.458  -7.765
   41    H    CYS   5           H        CYS   5  15.723  -0.825  -5.749
   42    HA   CYS   5           HA       CYS   5  15.968   1.933  -6.585
   43    HB2  CYS   5           HB2      CYS   5  16.934   1.115  -4.485
   44    HB3  CYS   5           HB3      CYS   5  17.983   0.003  -5.399
   45    HA   PRO   6           HA       PRO   6  17.736   1.056 -10.613
   46    HB2  PRO   6           HB2      PRO   6  18.871   3.801 -10.365
   47    HB3  PRO   6           HB3      PRO   6  17.824   3.122 -11.649
   48    HG2  PRO   6           HG2      PRO   6  16.867   4.896  -9.791
   49    HG3  PRO   6           HG3      PRO   6  15.871   3.533 -10.405
   50    HD2  PRO   6           HD2      PRO   6  17.384   3.726  -7.804
   51    HD3  PRO   6           HD3      PRO   6  15.754   3.055  -8.139
   52    H    GLU   7           H        GLU   7  19.437   1.982  -7.713
   53    HA   GLU   7           HA       GLU   7  22.070   1.458  -9.026
   54    HB2  GLU   7           HB2      GLU   7  21.428   3.031  -6.507
   55    HB3  GLU   7           HB3      GLU   7  23.038   2.806  -7.198
   56    HG2  GLU   7           HG2      GLU   7  20.698   4.167  -8.603
   57    HG3  GLU   7           HG3      GLU   7  22.012   5.011  -7.777
   58    H    CYS   8           H        CYS   8  20.134   0.817  -6.038
   59    HA   CYS   8           HA       CYS   8  22.167  -1.047  -5.069
   60    HB2  CYS   8           HB2      CYS   8  19.324  -0.524  -4.092
   61    HB3  CYS   8           HB3      CYS   8  20.549  -1.500  -3.269
   62    H    ALA   9           H        ALA   9  19.518  -1.149  -7.264
   63    HA   ALA   9           HA       ALA   9  18.401  -2.810  -8.327
   64    HB1  ALA   9           HB1      ALA   9  20.951  -4.385  -7.795
   65    HB2  ALA   9           HB2      ALA   9  19.728  -4.736  -9.039
   66    HB3  ALA   9           HB3      ALA   9  20.699  -3.245  -9.131
   67    H    SER  10           H        SER  10  17.834  -2.504  -5.561
   68    HA   SER  10           HA       SER  10  16.984  -5.257  -4.860
   69    HB2  SER  10           HB2      SER  10  19.102  -4.672  -3.661
   70    HB3  SER  10           HB3      SER  10  18.277  -3.278  -2.940
   71    HG   SER  10           HG       SER  10  18.219  -5.142  -1.592
   72    H    ARG  11           H        ARG  11  15.178  -5.274  -3.318
   73    HA   ARG  11           HA       ARG  11  13.325  -3.113  -4.015
   74    HB2  ARG  11           HB2      ARG  11  12.963  -5.760  -2.573
   75    HB3  ARG  11           HB3      ARG  11  11.651  -4.618  -2.927
   76    HG2  ARG  11           HG2      ARG  11  12.230  -4.751  -5.357
   77    HG3  ARG  11           HG3      ARG  11  13.426  -6.013  -4.966
   78    HD2  ARG  11           HD2      ARG  11  11.617  -7.397  -3.982
   79    HD3  ARG  11           HD3      ARG  11  10.438  -6.131  -4.374
   80    HE   ARG  11           HE       ARG  11  10.620  -6.648  -6.675
   81   HH11  ARG  11          HH11      ARG  11  12.721  -8.680  -4.692
   82   HH12  ARG  11          HH12      ARG  11  12.966  -9.868  -5.949
   83   HH21  ARG  11          HH21      ARG  11  10.938  -8.212  -8.300
   84   HH22  ARG  11          HH22      ARG  11  11.941  -9.610  -7.992
   85    H    TYR  12           H        TYR  12  12.086  -1.934  -2.552
   86    HA   TYR  12           HA       TYR  12  12.684  -2.072   0.298
   87    HB2  TYR  12           HB2      TYR  12  14.446  -0.625  -0.252
   88    HB3  TYR  12           HB3      TYR  12  13.465   0.269  -1.410
   89    HD1  TYR  12           HD2      TYR  12  14.122  -0.278   2.195
   90    HD2  TYR  12           HD1      TYR  12  11.965   2.037  -0.726
   91    HE1  TYR  12           HE2      TYR  12  13.560   1.393   3.940
   92    HE2  TYR  12           HE1      TYR  12  11.424   3.726   1.006
   93    HH   TYR  12           HH       TYR  12  11.635   4.331   3.208
   94    H    PHE  13           H        PHE  13  10.999  -1.459   1.600
   95    HA   PHE  13           HA       PHE  13   8.559  -0.953   0.027
   96    HB2  PHE  13           HB2      PHE  13   7.417  -1.963   2.092
   97    HB3  PHE  13           HB3      PHE  13   8.274  -2.998   0.957
   98    HD1  PHE  13           HD1      PHE  13   8.466  -1.427   4.313
   99    HD2  PHE  13           HD2      PHE  13  10.239  -4.233   1.572
  100    HE1  PHE  13           HE1      PHE  13   9.871  -2.326   6.141
  101    HE2  PHE  13           HE2      PHE  13  11.644  -5.133   3.402
  102    HZ   PHE  13           HZ       PHE  13  11.466  -4.184   5.690
  103    H    VAL  14           H        VAL  14   6.860   0.297   0.613
  104    HA   VAL  14           HA       VAL  14   7.171   2.178   2.854
  105    HB   VAL  14           HB       VAL  14   6.718   4.117   1.427
  106   HG11  VAL  14          HG11      VAL  14   9.085   3.508   1.909
  107   HG12  VAL  14          HG12      VAL  14   9.134   2.572   0.400
  108   HG13  VAL  14          HG13      VAL  14   8.899   4.334   0.347
  109   HG21  VAL  14          HG21      VAL  14   6.893   3.948  -1.034
  110   HG22  VAL  14          HG22      VAL  14   7.023   2.177  -0.897
  111   HG23  VAL  14          HG23      VAL  14   5.528   3.001  -0.412
  112    H    ASP  15           H        ASP  15   5.105   3.375   3.242
  113    HA   ASP  15           HA       ASP  15   2.837   1.657   2.999
  114    HB2  ASP  15           HB2      ASP  15   3.075   4.588   3.761
  115    HB3  ASP  15           HB3      ASP  15   1.593   3.634   3.893
  116    H    ASP  16           H        ASP  16   0.841   2.002   1.864
  117    HA   ASP  16           HA       ASP  16   1.255   2.720  -0.874
  118    HB2  ASP  16           HB2      ASP  16  -1.265   2.126   0.714
  119    HB3  ASP  16           HB3      ASP  16  -1.228   2.358  -1.039
  120    H    SER  17           H        SER  17   0.642   4.702   1.838
  121    HA   SER  17           HA       SER  17  -0.828   6.752   0.364
  122    HB2  SER  17           HB2      SER  17  -0.620   8.017   2.457
  123    HB3  SER  17           HB3      SER  17  -1.173   6.361   2.788
  124    HG   SER  17           HG       SER  17   0.541   7.033   4.180
  125    H    LYS  18           H        LYS  18   2.460   5.764   0.568
  126    HA   LYS  18           HA       LYS  18   3.701   8.348   0.443
  127    HB2  LYS  18           HB2      LYS  18   4.786   6.282   1.276
  128    HB3  LYS  18           HB3      LYS  18   4.645   5.555  -0.328
  129    HG2  LYS  18           HG2      LYS  18   6.905   6.411   0.063
  130    HG3  LYS  18           HG3      LYS  18   6.119   7.255  -1.283
  131    HD2  LYS  18           HD2      LYS  18   7.312   8.849   0.157
  132    HD3  LYS  18           HD3      LYS  18   5.563   9.146   0.226
  133    HE2  LYS  18           HE2      LYS  18   5.429   7.888   2.348
  134    HE3  LYS  18           HE3      LYS  18   7.164   7.542   2.261
  135    HZ1  LYS  18           HZ1      LYS  18   6.714   9.410   3.685
  136    HZ2  LYS  18           HZ2      LYS  18   7.579   9.901   2.377
  137    HZ3  LYS  18           HZ3      LYS  18   5.968  10.227   2.469
  138    H    VAL  19           H        VAL  19   2.008   6.381  -1.872
  139    HA   VAL  19           HA       VAL  19   2.924   8.157  -4.055
  140    HB   VAL  19           HB       VAL  19   2.819   5.145  -4.352
  141   HG11  VAL  19          HG11      VAL  19   3.901   7.374  -6.129
  142   HG12  VAL  19          HG12      VAL  19   4.028   5.634  -6.456
  143   HG13  VAL  19          HG13      VAL  19   2.431   6.409  -6.429
  144   HG21  VAL  19          HG21      VAL  19   5.316   5.286  -4.482
  145   HG22  VAL  19          HG22      VAL  19   5.228   6.980  -3.975
  146   HG23  VAL  19          HG23      VAL  19   4.695   5.685  -2.872
  147    H    GLY  20           H        GLY  20   1.410   8.492  -5.706
  148    HA2  GLY  20           HA2      GLY  20  -1.264   7.227  -5.291
  149    HA3  GLY  20           HA3      GLY  20  -1.077   8.961  -5.585
  150    HA   PRO  21           HA       PRO  21  -1.558   6.670  -9.646
  151    HB2  PRO  21           HB2      PRO  21  -3.849   7.933 -10.487
  152    HB3  PRO  21           HB3      PRO  21  -3.854   6.465  -9.455
  153    HG2  PRO  21           HG2      PRO  21  -4.203   9.349  -8.624
  154    HG3  PRO  21           HG3      PRO  21  -5.096   7.897  -8.063
  155    HD2  PRO  21           HD2      PRO  21  -3.005   9.045  -6.667
  156    HD3  PRO  21           HD3      PRO  21  -3.372   7.300  -6.586
  157    H    ASP  22           H        ASP  22  -1.535   9.976  -8.485
  158    HA   ASP  22           HA       ASP  22  -0.862  11.090 -11.099
  159    HB2  ASP  22           HB2      ASP  22  -0.529  13.201  -9.748
  160    HB3  ASP  22           HB3      ASP  22  -2.163  12.513  -9.766
  161    H    GLY  23           H        GLY  23   0.800   9.266  -8.899
  162    HA2  GLY  23           HA2      GLY  23   3.025   8.673  -8.898
  163    HA3  GLY  23           HA3      GLY  23   3.376   9.966 -10.062
  164    H    ARG  24           H        ARG  24   4.972   9.270  -7.783
  165    HA   ARG  24           HA       ARG  24   5.223  11.914  -6.586
  166    HB2  ARG  24           HB2      ARG  24   3.525  10.798  -5.118
  167    HB3  ARG  24           HB3      ARG  24   4.672   9.471  -4.847
  168    HG2  ARG  24           HG2      ARG  24   4.699  11.039  -2.962
  169    HG3  ARG  24           HG3      ARG  24   6.262  11.051  -3.795
  170    HD2  ARG  24           HD2      ARG  24   5.622  13.117  -4.998
  171    HD3  ARG  24           HD3      ARG  24   4.026  13.070  -4.224
  172    HE   ARG  24           HE       ARG  24   6.549  13.297  -2.630
  173   HH11  ARG  24          HH11      ARG  24   3.339  14.505  -3.503
  174   HH12  ARG  24          HH12      ARG  24   3.312  15.703  -2.233
  175   HH21  ARG  24          HH21      ARG  24   6.492  14.870  -0.979
  176   HH22  ARG  24          HH22      ARG  24   5.084  15.896  -0.803
  177    H    VAL  25           H        VAL  25   7.338  12.253  -5.813
  178    HA   VAL  25           HA       VAL  25   9.292  10.340  -6.805
  179    HB   VAL  25           HB       VAL  25   9.502  12.832  -7.003
  180   HG11  VAL  25          HG11      VAL  25  10.179  12.649  -4.036
  181   HG12  VAL  25          HG12      VAL  25  10.305  14.094  -5.062
  182   HG13  VAL  25          HG13      VAL  25   8.707  13.391  -4.714
  183   HG21  VAL  25          HG21      VAL  25  11.455  11.328  -7.259
  184   HG22  VAL  25          HG22      VAL  25  11.907  12.878  -6.515
  185   HG23  VAL  25          HG23      VAL  25  11.756  11.427  -5.508
  186    H    VAL  26           H        VAL  26  10.885   9.238  -5.633
  187    HA   VAL  26           HA       VAL  26  10.415   9.031  -2.708
  188    HB   VAL  26           HB       VAL  26  10.501   6.666  -2.728
  189   HG11  VAL  26          HG11      VAL  26   8.791   7.481  -5.118
  190   HG12  VAL  26          HG12      VAL  26   8.587   6.035  -4.109
  191   HG13  VAL  26          HG13      VAL  26   8.316   7.649  -3.410
  192   HG21  VAL  26          HG21      VAL  26  12.274   6.370  -4.424
  193   HG22  VAL  26          HG22      VAL  26  10.874   5.345  -4.788
  194   HG23  VAL  26          HG23      VAL  26  11.132   6.841  -5.707
  195    H    ARG  27           H        ARG  27  12.276   7.753  -1.634
  196    HA   ARG  27           HA       ARG  27  14.864   8.413  -2.929
  197    HB2  ARG  27           HB2      ARG  27  14.287  10.330  -1.508
  198    HB3  ARG  27           HB3      ARG  27  14.022   9.252  -0.127
  199    HG2  ARG  27           HG2      ARG  27  16.380   8.582  -0.151
  200    HG3  ARG  27           HG3      ARG  27  16.666   9.545  -1.619
  201    HD2  ARG  27           HD2      ARG  27  16.041  11.596  -0.391
  202    HD3  ARG  27           HD3      ARG  27  15.772  10.643   1.076
  203    HE   ARG  27           HE       ARG  27  18.362  11.355  -0.141
  204   HH11  ARG  27          HH11      ARG  27  16.632   9.413   2.258
  205   HH12  ARG  27          HH12      ARG  27  18.058   9.136   3.232
  206   HH21  ARG  27          HH21      ARG  27  20.194  11.000   1.164
  207   HH22  ARG  27          HH22      ARG  27  20.070  10.036   2.617
  208    H    CYS  28           H        CYS  28  16.525   7.048  -2.459
  209    HA   CYS  28           HA       CYS  28  15.803   4.445  -1.414
  210    HB2  CYS  28           HB2      CYS  28  17.290   4.883  -3.389
  211    HB3  CYS  28           HB3      CYS  28  18.508   5.558  -2.287
  212    H    ALA  29           H        ALA  29  16.309   3.538   0.526
  213    HA   ALA  29           HA       ALA  29  17.412   5.248   2.617
  214    HB1  ALA  29           HB1      ALA  29  16.539   2.329   2.609
  215    HB2  ALA  29           HB2      ALA  29  16.932   3.290   4.050
  216    HB3  ALA  29           HB3      ALA  29  15.523   3.723   3.048
  217    H    SER  30           H        SER  30  18.787   3.326   0.171
  218    HA   SER  30           HA       SER  30  21.009   2.438   1.941
  219    HB2  SER  30           HB2      SER  30  19.851   1.274  -0.605
  220    HB3  SER  30           HB3      SER  30  21.398   0.751   0.099
  221    HG   SER  30           HG       SER  30  18.854   0.707   1.356
  222    H    CYS  31           H        CYS  31  20.257   4.499  -0.799
  223    HA   CYS  31           HA       CYS  31  23.112   5.207  -0.835
  224    HB2  CYS  31           HB2      CYS  31  23.430   4.956  -3.182
  225    HB3  CYS  31           HB3      CYS  31  22.811   3.413  -2.557
  226    H    GLY  32           H        GLY  32  19.898   6.200  -0.826
  227    HA2  GLY  32           HA2      GLY  32  19.157   8.368  -0.557
  228    HA3  GLY  32           HA3      GLY  32  20.789   8.956  -0.919
  229    H    ASN  33           H        ASN  33  19.905   6.829  -3.369
  230    HA   ASN  33           HA       ASN  33  19.678   8.839  -5.355
  231    HB2  ASN  33           HB2      ASN  33  20.428   6.461  -5.659
  232    HB3  ASN  33           HB3      ASN  33  18.748   5.940  -5.436
  233   HD21  ASN  33          HD22      ASN  33  18.570   5.058  -7.530
  234   HD22  ASN  33          HD21      ASN  33  18.500   6.065  -8.960
  235    H    ARG  34           H        ARG  34  17.815   9.415  -6.672
  236    HA   ARG  34           HA       ARG  34  15.181   8.927  -5.376
  237    HB2  ARG  34           HB2      ARG  34  16.244  11.624  -6.279
  238    HB3  ARG  34           HB3      ARG  34  14.599  11.300  -5.690
  239    HG2  ARG  34           HG2      ARG  34  15.565  10.521  -3.514
  240    HG3  ARG  34           HG3      ARG  34  17.180  10.969  -4.104
  241    HD2  ARG  34           HD2      ARG  34  14.812  12.861  -3.811
  242    HD3  ARG  34           HD3      ARG  34  16.159  12.729  -2.675
  243    HE   ARG  34           HE       ARG  34  17.664  13.509  -4.474
  244   HH11  ARG  34          HH11      ARG  34  14.199  14.093  -4.867
  245   HH12  ARG  34          HH12      ARG  34  14.433  15.416  -5.985
  246   HH21  ARG  34          HH21      ARG  34  17.941  15.229  -5.938
  247   HH22  ARG  34          HH22      ARG  34  16.545  16.063  -6.577
  248    H    TRP  35           H        TRP  35  13.434   8.837  -6.724
  249    HA   TRP  35           HA       TRP  35  13.605   9.616  -9.520
  250    HB2  TRP  35           HB2      TRP  35  13.264   7.396 -10.441
  251    HB3  TRP  35           HB3      TRP  35  14.786   7.446  -9.555
  252    HD1  TRP  35           HD1      TRP  35  11.391   5.799  -9.606
  253    HE1  TRP  35           HE1      TRP  35  11.246   3.927  -7.891
  254    HE3  TRP  35           HE3      TRP  35  15.784   6.652  -7.115
  255    HZ2  TRP  35           HZ2      TRP  35  12.820   2.921  -5.685
  256    HZ3  TRP  35           HZ3      TRP  35  16.411   5.230  -5.198
  257    HH2  TRP  35           HH2      TRP  35  14.953   3.356  -4.480
  258    H    THR  36           H        THR  36  11.468   9.341 -10.582
  259    HA   THR  36           HA       THR  36   9.325   9.695  -8.687
  260    HB   THR  36           HB       THR  36   8.828   9.362 -11.618
  261    HG1  THR  36           HG1      THR  36   9.471  11.520 -11.860
  262   HG21  THR  36          HG21      THR  36   6.946   9.767 -10.088
  263   HG22  THR  36          HG22      THR  36   7.761  11.221  -9.454
  264   HG23  THR  36          HG23      THR  36   7.207  11.170 -11.145
  265    H    ALA  37           H        ALA  37   7.633   8.431  -8.132
  266    HA   ALA  37           HA       ALA  37   7.579   5.666  -9.246
  267    HB1  ALA  37           HB1      ALA  37   6.997   6.592  -6.406
  268    HB2  ALA  37           HB2      ALA  37   6.883   4.924  -7.006
  269    HB3  ALA  37           HB3      ALA  37   8.464   5.735  -6.930
  270    H    PHE  38           H        PHE  38   5.410   4.630  -9.040
  271    HA   PHE  38           HA       PHE  38   3.160   6.451  -8.727
  272    HB2  PHE  38           HB2      PHE  38   2.215   5.649 -10.984
  273    HB3  PHE  38           HB3      PHE  38   3.396   6.959 -10.931
  274    HD1  PHE  38           HD1      PHE  38   2.885   3.413 -11.840
  275    HD2  PHE  38           HD2      PHE  38   5.620   6.732 -11.823
  276    HE1  PHE  38           HE1      PHE  38   4.368   2.198 -13.408
  277    HE2  PHE  38           HE2      PHE  38   7.114   5.510 -13.386
  278    HZ   PHE  38           HZ       PHE  38   6.491   3.240 -14.177
  279    H    LYS  39           H        LYS  39   1.140   5.533  -8.387
  280    HA   LYS  39           HA       LYS  39   1.281   2.998  -7.039
  281    HB2  LYS  39           HB2      LYS  39  -0.215   4.854  -6.349
  282    HB3  LYS  39           HB3      LYS  39  -1.109   4.687  -7.871
  283    HG2  LYS  39           HG2      LYS  39  -2.323   3.560  -6.082
  284    HG3  LYS  39           HG3      LYS  39  -1.748   2.381  -7.270
  285    HD2  LYS  39           HD2      LYS  39  -1.419   1.602  -4.936
  286    HD3  LYS  39           HD3      LYS  39   0.118   1.753  -5.805
  287    HE2  LYS  39           HE2      LYS  39   0.330   2.651  -3.536
  288    HE3  LYS  39           HE3      LYS  39   0.513   3.952  -4.724
  289    HZ1  LYS  39           HZ1      LYS  39  -1.950   3.344  -3.233
  290    HZ2  LYS  39           HZ2      LYS  39  -0.908   4.579  -2.915
  291    HZ3  LYS  39           HZ3      LYS  39  -1.762   4.574  -4.319
  292    H    ASP  40           H        ASP  40   0.513   0.997  -7.597
  293    HA   ASP  40           HA       ASP  40  -0.872   0.557 -10.129
  294    HB2  ASP  40           HB2      ASP  40   1.575   0.879 -10.716
  295    HB3  ASP  40           HB3      ASP  40   1.942  -0.542  -9.725
  296    H    GLU  41           H        GLU  41  -0.805   0.027  -7.025
  297    HA   GLU  41           HA       GLU  41  -0.541  -2.835  -6.738
  298    HB2  GLU  41           HB2      GLU  41  -1.824  -0.667  -5.035
  299    HB3  GLU  41           HB3      GLU  41  -1.689  -2.351  -4.523
  300    HG2  GLU  41           HG2      GLU  41   0.680  -0.592  -5.324
  301    HG3  GLU  41           HG3      GLU  41   0.150  -0.863  -3.653
  302    H    ALA  42           H        ALA  42  -3.047  -0.766  -7.968
  303    HA   ALA  42           HA       ALA  42  -4.849  -3.025  -8.313
  304    HB1  ALA  42           HB1      ALA  42  -5.650  -0.687  -6.537
  305    HB2  ALA  42           HB2      ALA  42  -6.699  -2.037  -7.038
  306    HB3  ALA  42           HB3      ALA  42  -5.309  -2.332  -5.967
  307    H    GLU  43           H        GLU  43  -6.788  -2.384  -9.584
  308    HA   GLU  43           HA       GLU  43  -6.736   0.252 -10.852
  309    HB2  GLU  43           HB2      GLU  43  -5.087  -0.917 -12.212
  310    HB3  GLU  43           HB3      GLU  43  -6.130  -2.335 -12.334
  311    HG2  GLU  43           HG2      GLU  43  -6.220  -1.112 -14.419
  312    HG3  GLU  43           HG3      GLU  43  -7.794  -1.018 -13.625
  313    H    LEU  44           H        LEU  44  -8.706   0.788 -11.799
  314    HA   LEU  44           HA       LEU  44 -10.952   0.809 -11.922
  315    HB2  LEU  44           HB2      LEU  44 -10.258  -0.857 -13.720
  316    HB3  LEU  44           HB3      LEU  44 -10.747  -2.142 -12.600
  317    HG   LEU  44           HG       LEU  44 -13.068  -1.164 -12.554
  318   HD11  LEU  44          HD11      LEU  44 -11.913   0.675 -14.697
  319   HD12  LEU  44          HD12      LEU  44 -13.641   0.478 -14.346
  320   HD13  LEU  44          HD13      LEU  44 -12.561   1.171 -13.115
  321   HD21  LEU  44          HD21      LEU  44 -12.470  -2.988 -14.094
  322   HD22  LEU  44          HD22      LEU  44 -13.659  -1.889 -14.828
  323   HD23  LEU  44          HD23      LEU  44 -11.952  -1.799 -15.313
  324    H    GLU  45           H        GLU  45  -9.738   0.195  -9.301
  325    HA   GLU  45           HA       GLU  45 -11.413  -1.744  -7.972
  326    HB2  GLU  45           HB2      GLU  45  -9.159  -1.222  -7.184
  327    HB3  GLU  45           HB3      GLU  45  -9.594   0.482  -6.972
  328    HG2  GLU  45           HG2      GLU  45  -9.587  -0.622  -4.817
  329    HG3  GLU  45           HG3      GLU  45 -11.232  -0.147  -5.215
  330    H    LEU  46           H        LEU  46 -11.753   1.637  -8.827
  331    HA   LEU  46           HA       LEU  46 -13.696   2.272  -6.807
  332    HB2  LEU  46           HB2      LEU  46 -13.947   4.355  -7.930
  333    HB3  LEU  46           HB3      LEU  46 -12.242   3.928  -7.910
  334    HG   LEU  46           HG       LEU  46 -12.667   4.905 -10.002
  335   HD11  LEU  46          HD11      LEU  46 -12.147   3.213 -11.636
  336   HD12  LEU  46          HD12      LEU  46 -11.282   2.848 -10.131
  337   HD13  LEU  46          HD13      LEU  46 -12.746   1.924 -10.574
  338   HD21  LEU  46          HD21      LEU  46 -15.161   4.649  -9.948
  339   HD22  LEU  46          HD22      LEU  46 -14.409   4.371 -11.534
  340   HD23  LEU  46          HD23      LEU  46 -14.951   2.990 -10.571
  341    H    VAL  47           H        VAL  47 -15.958   2.858  -7.229
  342    HA   VAL  47           HA       VAL  47 -17.246   0.659  -8.612
  343    HB   VAL  47           HB       VAL  47 -18.555   3.026  -7.242
  344   HG11  VAL  47          HG11      VAL  47 -19.461   0.155  -7.739
  345   HG12  VAL  47          HG12      VAL  47 -20.392   1.421  -6.901
  346   HG13  VAL  47          HG13      VAL  47 -20.036   1.586  -8.631
  347   HG21  VAL  47          HG21      VAL  47 -16.973   2.017  -5.676
  348   HG22  VAL  47          HG22      VAL  47 -18.631   1.548  -5.240
  349   HG23  VAL  47          HG23      VAL  47 -17.575   0.391  -6.079
  350    HA   PRO  48           HA       PRO  48 -17.654   2.830 -12.423
  351    HB2  PRO  48           HB2      PRO  48 -19.370   1.136 -13.740
  352    HB3  PRO  48           HB3      PRO  48 -17.654   0.739 -13.414
  353    HG2  PRO  48           HG2      PRO  48 -20.116  -0.107 -11.866
  354    HG3  PRO  48           HG3      PRO  48 -18.719  -1.112 -12.362
  355    HD2  PRO  48           HD2      PRO  48 -18.958  -0.041  -9.849
  356    HD3  PRO  48           HD3      PRO  48 -17.368  -0.251 -10.643
  357    H    ARG  49           H        ARG  49 -19.964   2.857 -10.035
  358    HA   ARG  49           HA       ARG  49 -21.644   4.767 -11.496
  359    HB2  ARG  49           HB2      ARG  49 -23.736   3.582 -10.958
  360    HB3  ARG  49           HB3      ARG  49 -22.711   2.622 -12.041
  361    HG2  ARG  49           HG2      ARG  49 -21.903   1.286 -10.106
  362    HG3  ARG  49           HG3      ARG  49 -22.927   2.254  -9.016
  363    HD2  ARG  49           HD2      ARG  49 -24.931   1.530 -10.261
  364    HD3  ARG  49           HD3      ARG  49 -23.916   0.560 -11.342
  365    HE   ARG  49           HE       ARG  49 -24.509   0.012  -8.482
  366   HH11  ARG  49          HH11      ARG  49 -22.945  -0.954 -11.499
  367   HH12  ARG  49          HH12      ARG  49 -22.683  -2.603 -10.975
  368   HH21  ARG  49          HH21      ARG  49 -24.163  -2.133  -7.821
  369   HH22  ARG  49          HH22      ARG  49 -23.377  -3.271  -8.890
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   3.572  -1.484  -0.040
    2    H2   MET   1           H2       MET   1   2.475  -0.530  -0.811
    3    H3   MET   1           H3       MET   1   3.893   0.111  -0.266
    4    HA   MET   1           HA       MET   1   3.627  -1.907  -2.386
    5    HB2  MET   1           HB2      MET   1   4.391  -0.132  -3.904
    6    HB3  MET   1           HB3      MET   1   2.842   0.292  -3.142
    7    HG2  MET   1           HG2      MET   1   3.792   1.957  -1.833
    8    HG3  MET   1           HG3      MET   1   5.374   1.173  -1.784
    9    HE1  MET   1           HE1      MET   1   3.409   1.726  -5.141
   10    HE2  MET   1           HE2      MET   1   2.850   3.080  -4.121
   11    HE3  MET   1           HE3      MET   1   3.871   3.398  -5.547
   12    H    ILE   2           H        ILE   2   5.758  -1.889  -3.724
   13    HA   ILE   2           HA       ILE   2   8.117  -1.334  -2.041
   14    HB   ILE   2           HB       ILE   2   7.238  -3.814  -1.948
   15   HG12  ILE   2          HG12      ILE   2  10.161  -3.378  -2.634
   16   HG13  ILE   2          HG13      ILE   2   9.433  -2.773  -1.131
   17   HG21  ILE   2          HG21      ILE   2   8.872  -3.897  -4.522
   18   HG22  ILE   2          HG22      ILE   2   8.128  -5.271  -3.682
   19   HG23  ILE   2          HG23      ILE   2   7.102  -4.046  -4.460
   20   HD11  ILE   2          HD11      ILE   2   8.720  -5.029  -0.510
   21   HD12  ILE   2          HD12      ILE   2   9.444  -5.689  -1.997
   22   HD13  ILE   2          HD13      ILE   2  10.478  -4.957  -0.745
   23    H    LEU   3           H        LEU   3   9.978  -0.819  -3.238
   24    HA   LEU   3           HA       LEU   3   9.620  -0.592  -6.189
   25    HB2  LEU   3           HB2      LEU   3  10.568   1.547  -4.249
   26    HB3  LEU   3           HB3      LEU   3  10.680   1.674  -6.012
   27    HG   LEU   3           HG       LEU   3   8.029   1.248  -4.549
   28   HD11  LEU   3          HD11      LEU   3   9.300   3.831  -5.544
   29   HD12  LEU   3          HD12      LEU   3   7.672   3.659  -4.844
   30   HD13  LEU   3          HD13      LEU   3   9.101   3.363  -3.834
   31   HD21  LEU   3          HD21      LEU   3   7.105   2.123  -6.676
   32   HD22  LEU   3          HD22      LEU   3   8.754   2.236  -7.339
   33   HD23  LEU   3          HD23      LEU   3   8.054   0.645  -6.955
   34    H    THR   4           H        THR   4  11.552  -0.696  -7.404
   35    HA   THR   4           HA       THR   4  13.839  -1.766  -5.878
   36    HB   THR   4           HB       THR   4  13.599  -1.869  -8.869
   37    HG1  THR   4           HG1      THR   4  12.547  -3.829  -8.582
   38   HG21  THR   4          HG21      THR   4  14.911  -3.677  -6.796
   39   HG22  THR   4          HG22      THR   4  14.980  -3.886  -8.560
   40   HG23  THR   4          HG23      THR   4  15.765  -2.486  -7.808
   41    H    CYS   5           H        CYS   5  15.841  -0.870  -5.812
   42    HA   CYS   5           HA       CYS   5  16.052   1.905  -6.621
   43    HB2  CYS   5           HB2      CYS   5  16.989   1.085  -4.509
   44    HB3  CYS   5           HB3      CYS   5  18.071  -0.007  -5.412
   45    HA   PRO   6           HA       PRO   6  17.896   1.028 -10.615
   46    HB2  PRO   6           HB2      PRO   6  18.986   3.791 -10.385
   47    HB3  PRO   6           HB3      PRO   6  17.950   3.089 -11.666
   48    HG2  PRO   6           HG2      PRO   6  16.970   4.862  -9.821
   49    HG3  PRO   6           HG3      PRO   6  15.991   3.493 -10.443
   50    HD2  PRO   6           HD2      PRO   6  17.478   3.697  -7.821
   51    HD3  PRO   6           HD3      PRO   6  15.859   3.018  -8.174
   52    H    GLU   7           H        GLU   7  19.551   2.018  -7.705
   53    HA   GLU   7           HA       GLU   7  22.200   1.510  -8.984
   54    HB2  GLU   7           HB2      GLU   7  21.499   3.070  -6.466
   55    HB3  GLU   7           HB3      GLU   7  23.126   2.871  -7.138
   56    HG2  GLU   7           HG2      GLU   7  20.780   4.198  -8.570
   57    HG3  GLU   7           HG3      GLU   7  22.068   5.059  -7.717
   58    H    CYS   8           H        CYS   8  20.236   0.839  -6.022
   59    HA   CYS   8           HA       CYS   8  22.270  -1.018  -5.040
   60    HB2  CYS   8           HB2      CYS   8  19.411  -0.519  -4.085
   61    HB3  CYS   8           HB3      CYS   8  20.642  -1.479  -3.254
   62    H    ALA   9           H        ALA   9  19.668  -1.135  -7.289
   63    HA   ALA   9           HA       ALA   9  18.566  -2.803  -8.355
   64    HB1  ALA   9           HB1      ALA   9  21.122  -4.354  -7.774
   65    HB2  ALA   9           HB2      ALA   9  19.926  -4.718  -9.045
   66    HB3  ALA   9           HB3      ALA   9  20.882  -3.225  -9.129
   67    H    SER  10           H        SER  10  17.890  -2.503  -5.642
   68    HA   SER  10           HA       SER  10  17.100  -5.270  -4.927
   69    HB2  SER  10           HB2      SER  10  19.207  -4.671  -3.731
   70    HB3  SER  10           HB3      SER  10  18.365  -3.281  -3.005
   71    HG   SER  10           HG       SER  10  18.324  -5.150  -1.660
   72    H    ARG  11           H        ARG  11  15.330  -5.285  -3.323
   73    HA   ARG  11           HA       ARG  11  13.405  -3.196  -4.042
   74    HB2  ARG  11           HB2      ARG  11  13.148  -5.798  -2.499
   75    HB3  ARG  11           HB3      ARG  11  11.797  -4.710  -2.874
   76    HG2  ARG  11           HG2      ARG  11  12.355  -4.923  -5.314
   77    HG3  ARG  11           HG3      ARG  11  13.586  -6.131  -4.896
   78    HD2  ARG  11           HD2      ARG  11  10.621  -6.326  -4.238
   79    HD3  ARG  11           HD3      ARG  11  11.428  -7.164  -5.578
   80    HE   ARG  11           HE       ARG  11  12.904  -8.095  -3.575
   81   HH11  ARG  11          HH11      ARG  11   9.406  -7.660  -3.735
   82   HH12  ARG  11          HH12      ARG  11   9.067  -8.936  -2.585
   83   HH21  ARG  11          HH21      ARG  11  12.448  -9.755  -2.079
   84   HH22  ARG  11          HH22      ARG  11  10.794 -10.122  -1.651
   85    H    TYR  12           H        TYR  12  12.186  -1.981  -2.602
   86    HA   TYR  12           HA       TYR  12  12.787  -2.048   0.244
   87    HB2  TYR  12           HB2      TYR  12  14.559  -0.619  -0.321
   88    HB3  TYR  12           HB3      TYR  12  13.589   0.259  -1.506
   89    HD1  TYR  12           HD1      TYR  12  14.116  -0.283   2.125
   90    HD2  TYR  12           HD2      TYR  12  12.206   2.106  -0.894
   91    HE1  TYR  12           HE1      TYR  12  13.548   1.426   3.841
   92    HE2  TYR  12           HE2      TYR  12  11.662   3.834   0.805
   93    HH   TYR  12           HH       TYR  12  12.562   3.461   4.256
   94    H    PHE  13           H        PHE  13  11.139  -1.279   1.542
   95    HA   PHE  13           HA       PHE  13   8.693  -0.819  -0.045
   96    HB2  PHE  13           HB2      PHE  13   7.537  -1.835   2.008
   97    HB3  PHE  13           HB3      PHE  13   8.405  -2.869   0.880
   98    HD1  PHE  13           HD1      PHE  13   8.472  -1.384   4.255
   99    HD2  PHE  13           HD2      PHE  13  10.447  -4.021   1.492
  100    HE1  PHE  13           HE1      PHE  13   9.867  -2.282   6.106
  101    HE2  PHE  13           HE2      PHE  13  11.837  -4.921   3.344
  102    HZ   PHE  13           HZ       PHE  13  11.546  -4.050   5.650
  103    H    VAL  14           H        VAL  14   7.021   0.458   0.514
  104    HA   VAL  14           HA       VAL  14   7.305   2.294   2.794
  105    HB   VAL  14           HB       VAL  14   6.918   4.266   1.414
  106   HG11  VAL  14          HG11      VAL  14   9.293   2.696   0.327
  107   HG12  VAL  14          HG12      VAL  14   9.101   4.461   0.335
  108   HG13  VAL  14          HG13      VAL  14   9.270   3.592   1.871
  109   HG21  VAL  14          HG21      VAL  14   5.694   3.225  -0.448
  110   HG22  VAL  14          HG22      VAL  14   7.069   4.175  -1.039
  111   HG23  VAL  14          HG23      VAL  14   7.185   2.402  -0.979
  112    H    ASP  15           H        ASP  15   5.256   3.461   3.214
  113    HA   ASP  15           HA       ASP  15   3.009   1.740   2.931
  114    HB2  ASP  15           HB2      ASP  15   3.218   4.639   3.792
  115    HB3  ASP  15           HB3      ASP  15   1.734   3.678   3.877
  116    H    ASP  16           H        ASP  16   0.972   2.127   1.870
  117    HA   ASP  16           HA       ASP  16   1.357   2.817  -0.879
  118    HB2  ASP  16           HB2      ASP  16  -1.170   2.514  -0.963
  119    HB3  ASP  16           HB3      ASP  16  -0.168   1.115  -0.508
  120    H    SER  17           H        SER  17   0.425   4.710   1.851
  121    HA   SER  17           HA       SER  17  -1.019   6.722   0.350
  122    HB2  SER  17           HB2      SER  17  -0.928   7.976   2.464
  123    HB3  SER  17           HB3      SER  17  -1.401   6.286   2.757
  124    HG   SER  17           HG       SER  17   0.231   6.998   4.202
  125    H    LYS  18           H        LYS  18   2.306   5.934   0.606
  126    HA   LYS  18           HA       LYS  18   3.330   8.660   0.517
  127    HB2  LYS  18           HB2      LYS  18   4.716   6.016  -0.070
  128    HB3  LYS  18           HB3      LYS  18   5.504   7.573   0.242
  129    HG2  LYS  18           HG2      LYS  18   3.774   6.023   2.210
  130    HG3  LYS  18           HG3      LYS  18   5.541   6.151   2.247
  131    HD2  LYS  18           HD2      LYS  18   5.341   8.619   2.530
  132    HD3  LYS  18           HD3      LYS  18   3.567   8.447   2.587
  133    HE2  LYS  18           HE2      LYS  18   3.764   6.960   4.542
  134    HE3  LYS  18           HE3      LYS  18   5.528   7.095   4.485
  135    HZ1  LYS  18           HZ1      LYS  18   4.558   8.589   6.085
  136    HZ2  LYS  18           HZ2      LYS  18   5.295   9.446   4.887
  137    HZ3  LYS  18           HZ3      LYS  18   3.652   9.321   4.928
  138    H    VAL  19           H        VAL  19   1.792   6.694  -1.771
  139    HA   VAL  19           HA       VAL  19   2.877   8.348  -3.967
  140    HB   VAL  19           HB       VAL  19   2.688   5.319  -4.128
  141   HG11  VAL  19          HG11      VAL  19   3.690   7.425  -6.082
  142   HG12  VAL  19          HG12      VAL  19   3.826   5.664  -6.303
  143   HG13  VAL  19          HG13      VAL  19   2.225   6.430  -6.259
  144   HG21  VAL  19          HG21      VAL  19   4.621   5.947  -2.747
  145   HG22  VAL  19          HG22      VAL  19   5.171   5.412  -4.344
  146   HG23  VAL  19          HG23      VAL  19   5.125   7.145  -3.970
  147    H    GLY  20           H        GLY  20   1.431   8.694  -5.673
  148    HA2  GLY  20           HA2      GLY  20  -1.332   7.623  -5.261
  149    HA3  GLY  20           HA3      GLY  20  -1.023   9.327  -5.609
  150    HA   PRO  21           HA       PRO  21  -1.587   6.861  -9.550
  151    HB2  PRO  21           HB2      PRO  21  -3.845   8.117 -10.473
  152    HB3  PRO  21           HB3      PRO  21  -3.894   6.737  -9.326
  153    HG2  PRO  21           HG2      PRO  21  -4.125   9.690  -8.732
  154    HG3  PRO  21           HG3      PRO  21  -5.090   8.335  -8.064
  155    HD2  PRO  21           HD2      PRO  21  -2.952   9.479  -6.744
  156    HD3  PRO  21           HD3      PRO  21  -3.397   7.761  -6.544
  157    H    ASP  22           H        ASP  22  -1.492  10.252  -8.627
  158    HA   ASP  22           HA       ASP  22  -0.845  11.205 -11.323
  159    HB2  ASP  22           HB2      ASP  22  -2.075  12.509  -9.515
  160    HB3  ASP  22           HB3      ASP  22  -0.545  12.589  -8.623
  161    H    GLY  23           H        GLY  23   0.743   9.361  -9.041
  162    HA2  GLY  23           HA2      GLY  23   2.945   8.658  -9.018
  163    HA3  GLY  23           HA3      GLY  23   3.392   9.963 -10.130
  164    H    ARG  24           H        ARG  24   4.895   9.211  -7.836
  165    HA   ARG  24           HA       ARG  24   5.081  11.794  -6.475
  166    HB2  ARG  24           HB2      ARG  24   3.316  10.144  -5.323
  167    HB3  ARG  24           HB3      ARG  24   4.781   9.396  -4.672
  168    HG2  ARG  24           HG2      ARG  24   4.086  12.362  -4.410
  169    HG3  ARG  24           HG3      ARG  24   3.707  11.134  -3.189
  170    HD2  ARG  24           HD2      ARG  24   6.164  10.584  -3.082
  171    HD3  ARG  24           HD3      ARG  24   6.465  12.001  -4.118
  172    HE   ARG  24           HE       ARG  24   4.973  13.074  -2.113
  173   HH11  ARG  24          HH11      ARG  24   7.887  11.075  -2.154
  174   HH12  ARG  24          HH12      ARG  24   8.477  11.696  -0.629
  175   HH21  ARG  24          HH21      ARG  24   5.770  13.874  -0.131
  176   HH22  ARG  24          HH22      ARG  24   7.295  13.288   0.498
  177    H    VAL  25           H        VAL  25   7.224  12.144  -5.948
  178    HA   VAL  25           HA       VAL  25   9.169  10.204  -6.805
  179    HB   VAL  25           HB       VAL  25   9.369  12.707  -6.976
  180   HG11  VAL  25          HG11      VAL  25  10.085  12.458  -4.024
  181   HG12  VAL  25          HG12      VAL  25  10.194  13.926  -5.028
  182   HG13  VAL  25          HG13      VAL  25   8.606  13.211  -4.657
  183   HG21  VAL  25          HG21      VAL  25  11.644  11.287  -5.523
  184   HG22  VAL  25          HG22      VAL  25  11.308  11.181  -7.268
  185   HG23  VAL  25          HG23      VAL  25  11.781  12.732  -6.540
  186    H    VAL  26           H        VAL  26  10.789   9.144  -5.607
  187    HA   VAL  26           HA       VAL  26  10.281   8.895  -2.695
  188    HB   VAL  26           HB       VAL  26  10.381   6.536  -2.727
  189   HG11  VAL  26          HG11      VAL  26   8.729   7.322  -5.168
  190   HG12  VAL  26          HG12      VAL  26   8.509   5.879  -4.148
  191   HG13  VAL  26          HG13      VAL  26   8.192   7.496  -3.482
  192   HG21  VAL  26          HG21      VAL  26  12.196   6.257  -4.371
  193   HG22  VAL  26          HG22      VAL  26  10.817   5.220  -4.776
  194   HG23  VAL  26          HG23      VAL  26  11.089   6.724  -5.685
  195    H    ARG  27           H        ARG  27  12.176   7.590  -1.639
  196    HA   ARG  27           HA       ARG  27  14.745   8.265  -2.958
  197    HB2  ARG  27           HB2      ARG  27  15.598   9.268  -0.910
  198    HB3  ARG  27           HB3      ARG  27  14.169  10.150  -1.476
  199    HG2  ARG  27           HG2      ARG  27  12.762   8.960   0.173
  200    HG3  ARG  27           HG3      ARG  27  14.180   8.045   0.736
  201    HD2  ARG  27           HD2      ARG  27  15.298  10.168   1.345
  202    HD3  ARG  27           HD3      ARG  27  13.873  11.071   0.798
  203    HE   ARG  27           HE       ARG  27  12.694  10.400   2.707
  204   HH11  ARG  27          HH11      ARG  27  15.807   8.738   2.521
  205   HH12  ARG  27          HH12      ARG  27  15.733   8.151   4.166
  206   HH21  ARG  27          HH21      ARG  27  12.616   9.636   4.853
  207   HH22  ARG  27          HH22      ARG  27  13.922   8.663   5.488
  208    H    CYS  28           H        CYS  28  16.497   7.017  -2.338
  209    HA   CYS  28           HA       CYS  28  15.785   4.341  -1.420
  210    HB2  CYS  28           HB2      CYS  28  17.283   4.836  -3.367
  211    HB3  CYS  28           HB3      CYS  28  18.472   5.522  -2.242
  212    H    ALA  29           H        ALA  29  16.301   3.418   0.513
  213    HA   ALA  29           HA       ALA  29  17.349   5.110   2.649
  214    HB1  ALA  29           HB1      ALA  29  16.924   3.122   4.038
  215    HB2  ALA  29           HB2      ALA  29  15.504   3.526   3.031
  216    HB3  ALA  29           HB3      ALA  29  16.573   2.173   2.579
  217    H    SER  30           H        SER  30  18.791   3.249   0.175
  218    HA   SER  30           HA       SER  30  21.033   2.420   1.952
  219    HB2  SER  30           HB2      SER  30  19.916   1.234  -0.604
  220    HB3  SER  30           HB3      SER  30  21.457   0.731   0.123
  221    HG   SER  30           HG       SER  30  19.664  -0.540   0.819
  222    H    CYS  31           H        CYS  31  20.254   4.489  -0.769
  223    HA   CYS  31           HA       CYS  31  23.096   5.246  -0.787
  224    HB2  CYS  31           HB2      CYS  31  23.415   5.038  -3.145
  225    HB3  CYS  31           HB3      CYS  31  22.841   3.472  -2.531
  226    H    GLY  32           H        GLY  32  19.851   6.162  -0.806
  227    HA2  GLY  32           HA2      GLY  32  19.062   8.315  -0.520
  228    HA3  GLY  32           HA3      GLY  32  20.685   8.945  -0.857
  229    H    ASN  33           H        ASN  33  19.878   6.820  -3.345
  230    HA   ASN  33           HA       ASN  33  19.583   8.840  -5.323
  231    HB2  ASN  33           HB2      ASN  33  20.400   6.470  -5.638
  232    HB3  ASN  33           HB3      ASN  33  18.733   5.917  -5.442
  233   HD21  ASN  33          HD22      ASN  33  18.658   5.054  -7.564
  234   HD22  ASN  33          HD21      ASN  33  18.565   6.088  -8.976
  235    H    ARG  34           H        ARG  34  17.700   9.365  -6.627
  236    HA   ARG  34           HA       ARG  34  15.094   8.779  -5.318
  237    HB2  ARG  34           HB2      ARG  34  16.053  11.526  -6.199
  238    HB3  ARG  34           HB3      ARG  34  14.431  11.132  -5.583
  239    HG2  ARG  34           HG2      ARG  34  15.481  10.351  -3.444
  240    HG3  ARG  34           HG3      ARG  34  17.057  10.903  -4.054
  241    HD2  ARG  34           HD2      ARG  34  14.599  12.653  -3.672
  242    HD3  ARG  34           HD3      ARG  34  15.990  12.581  -2.576
  243    HE   ARG  34           HE       ARG  34  17.379  13.370  -4.530
  244   HH11  ARG  34          HH11      ARG  34  13.915  14.097  -4.354
  245   HH12  ARG  34          HH12      ARG  34  14.053  15.526  -5.353
  246   HH21  ARG  34          HH21      ARG  34  17.512  15.234  -5.833
  247   HH22  ARG  34          HH22      ARG  34  16.076  16.168  -6.183
  248    H    TRP  35           H        TRP  35  13.312   8.728  -6.654
  249    HA   TRP  35           HA       TRP  35  13.474   9.477  -9.463
  250    HB2  TRP  35           HB2      TRP  35  13.128   7.247 -10.359
  251    HB3  TRP  35           HB3      TRP  35  14.658   7.303  -9.487
  252    HD1  TRP  35           HD1      TRP  35  11.255   5.668  -9.461
  253    HE1  TRP  35           HE1      TRP  35  11.144   3.818  -7.722
  254    HE3  TRP  35           HE3      TRP  35  15.722   6.519  -7.116
  255    HZ2  TRP  35           HZ2      TRP  35  12.794   2.807  -5.571
  256    HZ3  TRP  35           HZ3      TRP  35  16.424   5.084  -5.233
  257    HH2  TRP  35           HH2      TRP  35  14.978   3.230  -4.448
  258    H    THR  36           H        THR  36  11.353   9.144 -10.538
  259    HA   THR  36           HA       THR  36   9.209   9.547  -8.662
  260    HB   THR  36           HB       THR  36   8.718   9.151 -11.584
  261    HG1  THR  36           HG1      THR  36   9.384  11.278 -11.898
  262   HG21  THR  36          HG21      THR  36   7.114  10.992 -11.145
  263   HG22  THR  36          HG22      THR  36   6.825   9.611 -10.071
  264   HG23  THR  36          HG23      THR  36   7.659  11.060  -9.454
  265    H    ALA  37           H        ALA  37   7.529   8.286  -8.054
  266    HA   ALA  37           HA       ALA  37   7.434   5.521  -9.171
  267    HB1  ALA  37           HB1      ALA  37   6.874   6.442  -6.325
  268    HB2  ALA  37           HB2      ALA  37   6.741   4.778  -6.931
  269    HB3  ALA  37           HB3      ALA  37   8.332   5.572  -6.866
  270    H    PHE  38           H        PHE  38   5.217   4.520  -8.888
  271    HA   PHE  38           HA       PHE  38   3.031   6.430  -8.634
  272    HB2  PHE  38           HB2      PHE  38   2.054   5.576 -10.862
  273    HB3  PHE  38           HB3      PHE  38   3.265   6.859 -10.845
  274    HD1  PHE  38           HD1      PHE  38   2.685   3.291 -11.632
  275    HD2  PHE  38           HD2      PHE  38   5.495   6.547 -11.727
  276    HE1  PHE  38           HE1      PHE  38   4.138   1.995 -13.171
  277    HE2  PHE  38           HE2      PHE  38   6.945   5.250 -13.259
  278    HZ   PHE  38           HZ       PHE  38   6.260   2.974 -13.988
  279    H    LYS  39           H        LYS  39   0.945   5.581  -8.373
  280    HA   LYS  39           HA       LYS  39   0.963   3.155  -6.843
  281    HB2  LYS  39           HB2      LYS  39  -0.519   5.096  -6.383
  282    HB3  LYS  39           HB3      LYS  39  -1.350   4.823  -7.922
  283    HG2  LYS  39           HG2      LYS  39  -2.660   3.878  -6.096
  284    HG3  LYS  39           HG3      LYS  39  -2.076   2.594  -7.161
  285    HD2  LYS  39           HD2      LYS  39  -1.867   1.998  -4.763
  286    HD3  LYS  39           HD3      LYS  39  -0.302   2.016  -5.588
  287    HE2  LYS  39           HE2      LYS  39  -0.093   3.078  -3.400
  288    HE3  LYS  39           HE3      LYS  39   0.160   4.272  -4.680
  289    HZ1  LYS  39           HZ1      LYS  39  -1.255   5.109  -2.955
  290    HZ2  LYS  39           HZ2      LYS  39  -2.098   5.011  -4.363
  291    HZ3  LYS  39           HZ3      LYS  39  -2.340   3.890  -3.178
  292    H    ASP  40           H        ASP  40  -0.045   1.156  -7.271
  293    HA   ASP  40           HA       ASP  40  -1.103   0.622  -9.970
  294    HB2  ASP  40           HB2      ASP  40   1.397   0.410 -10.104
  295    HB3  ASP  40           HB3      ASP  40   1.337  -0.810  -8.823
  296    H    GLU  41           H        GLU  41  -0.546  -0.169  -6.585
  297    HA   GLU  41           HA       GLU  41  -1.886  -2.697  -6.521
  298    HB2  GLU  41           HB2      GLU  41  -1.359  -0.558  -4.407
  299    HB3  GLU  41           HB3      GLU  41  -2.125  -2.112  -4.074
  300    HG2  GLU  41           HG2      GLU  41   0.104  -2.549  -3.578
  301    HG3  GLU  41           HG3      GLU  41  -0.043  -3.178  -5.223
  302    H    ALA  42           H        ALA  42  -3.037   0.533  -6.970
  303    HA   ALA  42           HA       ALA  42  -5.808  -0.346  -6.661
  304    HB1  ALA  42           HB1      ALA  42  -4.662   1.924  -4.981
  305    HB2  ALA  42           HB2      ALA  42  -6.364   1.400  -5.023
  306    HB3  ALA  42           HB3      ALA  42  -5.110   0.317  -4.368
  307    H    GLU  43           H        GLU  43  -3.997   0.571  -8.821
  308    HA   GLU  43           HA       GLU  43  -5.781   2.612  -9.927
  309    HB2  GLU  43           HB2      GLU  43  -4.130   4.030  -8.874
  310    HB3  GLU  43           HB3      GLU  43  -2.806   3.017  -9.460
  311    HG2  GLU  43           HG2      GLU  43  -2.905   5.042 -10.781
  312    HG3  GLU  43           HG3      GLU  43  -3.324   3.660 -11.799
  313    H    LEU  44           H        LEU  44  -5.881   2.559 -12.159
  314    HA   LEU  44           HA       LEU  44  -5.866   1.624 -14.189
  315    HB2  LEU  44           HB2      LEU  44  -3.583   2.521 -14.171
  316    HB3  LEU  44           HB3      LEU  44  -2.960   1.003 -13.518
  317    HG   LEU  44           HG       LEU  44  -3.608  -0.189 -15.575
  318   HD11  LEU  44          HD11      LEU  44  -4.412   1.134 -17.536
  319   HD12  LEU  44          HD12      LEU  44  -5.602   1.130 -16.221
  320   HD13  LEU  44          HD13      LEU  44  -4.581   2.562 -16.488
  321   HD21  LEU  44          HD21      LEU  44  -1.404   0.904 -15.433
  322   HD22  LEU  44          HD22      LEU  44  -2.024   0.913 -17.100
  323   HD23  LEU  44          HD23      LEU  44  -2.096   2.395 -16.117
  324    H    GLU  45           H        GLU  45  -5.738  -0.244 -11.469
  325    HA   GLU  45           HA       GLU  45  -6.469  -2.684 -12.981
  326    HB2  GLU  45           HB2      GLU  45  -4.421  -2.551 -10.732
  327    HB3  GLU  45           HB3      GLU  45  -5.130  -4.052 -11.343
  328    HG2  GLU  45           HG2      GLU  45  -3.524  -2.078 -13.019
  329    HG3  GLU  45           HG3      GLU  45  -2.888  -3.570 -12.305
  330    H    LEU  46           H        LEU  46  -7.651  -4.231 -11.619
  331    HA   LEU  46           HA       LEU  46  -9.463  -4.671 -10.330
  332    HB2  LEU  46           HB2      LEU  46  -8.082  -2.928  -8.267
  333    HB3  LEU  46           HB3      LEU  46  -9.272  -4.210  -7.960
  334    HG   LEU  46           HG       LEU  46  -6.499  -4.621  -9.165
  335   HD11  LEU  46          HD11      LEU  46  -6.454  -4.020  -6.772
  336   HD12  LEU  46          HD12      LEU  46  -7.652  -5.286  -6.423
  337   HD13  LEU  46          HD13      LEU  46  -6.032  -5.733  -7.004
  338   HD21  LEU  46          HD21      LEU  46  -8.102  -6.291  -9.994
  339   HD22  LEU  46          HD22      LEU  46  -7.015  -7.033  -8.799
  340   HD23  LEU  46          HD23      LEU  46  -8.672  -6.592  -8.328
  341    H    VAL  47           H        VAL  47  -9.460  -2.148 -12.016
  342    HA   VAL  47           HA       VAL  47 -11.033  -0.190 -10.645
  343    HB   VAL  47           HB       VAL  47 -11.363   0.798 -12.826
  344   HG11  VAL  47          HG11      VAL  47  -8.596  -0.481 -12.705
  345   HG12  VAL  47          HG12      VAL  47  -9.047   1.017 -13.554
  346   HG13  VAL  47          HG13      VAL  47  -9.102   0.948 -11.775
  347   HG21  VAL  47          HG21      VAL  47 -10.285  -1.816 -13.959
  348   HG22  VAL  47          HG22      VAL  47 -11.954  -1.220 -14.115
  349   HG23  VAL  47          HG23      VAL  47 -10.617  -0.344 -14.894
  350    HA   PRO  48           HA       PRO  48 -15.013  -2.054 -10.761
  351    HB2  PRO  48           HB2      PRO  48 -16.657   0.135 -10.683
  352    HB3  PRO  48           HB3      PRO  48 -15.627  -0.346  -9.298
  353    HG2  PRO  48           HG2      PRO  48 -15.081   1.771 -11.395
  354    HG3  PRO  48           HG3      PRO  48 -14.858   1.869  -9.617
  355    HD2  PRO  48           HD2      PRO  48 -12.800   1.315 -11.360
  356    HD3  PRO  48           HD3      PRO  48 -12.860   0.653  -9.701
  357    H    ARG  49           H        ARG  49 -13.813  -0.171 -13.365
  358    HA   ARG  49           HA       ARG  49 -16.143  -0.048 -15.026
  359    HB2  ARG  49           HB2      ARG  49 -14.206   1.392 -15.370
  360    HB3  ARG  49           HB3      ARG  49 -13.170  -0.012 -15.692
  361    HG2  ARG  49           HG2      ARG  49 -14.508  -0.564 -17.693
  362    HG3  ARG  49           HG3      ARG  49 -15.594   0.803 -17.349
  363    HD2  ARG  49           HD2      ARG  49 -13.673   2.364 -17.551
  364    HD3  ARG  49           HD3      ARG  49 -12.602   1.003 -17.913
  365    HE   ARG  49           HE       ARG  49 -13.564   0.764 -20.041
  366   HH11  ARG  49          HH11      ARG  49 -15.170   3.317 -18.181
  367   HH12  ARG  49          HH12      ARG  49 -15.931   4.017 -19.591
  368   HH21  ARG  49          HH21      ARG  49 -14.585   1.692 -21.850
  369   HH22  ARG  49          HH22      ARG  49 -15.619   3.090 -21.655
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   2.237  -1.204  -0.410
    2    H2   MET   1           H2       MET   1   3.584  -0.418   0.119
    3    H3   MET   1           H3       MET   1   3.520  -2.055   0.183
    4    HA   MET   1           HA       MET   1   3.477  -2.243  -2.179
    5    HB2  MET   1           HB2      MET   1   3.742  -0.258  -3.578
    6    HB3  MET   1           HB3      MET   1   2.279  -0.117  -2.593
    7    HG2  MET   1           HG2      MET   1   3.584   1.248  -0.935
    8    HG3  MET   1           HG3      MET   1   4.964   1.207  -2.035
    9    HE1  MET   1           HE1      MET   1   3.675   1.527  -4.915
   10    HE2  MET   1           HE2      MET   1   3.768   3.297  -5.084
   11    HE3  MET   1           HE3      MET   1   5.103   2.411  -4.320
   12    H    ILE   2           H        ILE   2   5.498  -1.900  -3.594
   13    HA   ILE   2           HA       ILE   2   7.864  -1.326  -1.916
   14    HB   ILE   2           HB       ILE   2   7.056  -3.825  -1.953
   15   HG12  ILE   2          HG12      ILE   2   9.952  -3.280  -2.637
   16   HG13  ILE   2          HG13      ILE   2   9.221  -2.780  -1.094
   17   HG21  ILE   2          HG21      ILE   2   8.670  -3.736  -4.539
   18   HG22  ILE   2          HG22      ILE   2   7.955  -5.165  -3.780
   19   HG23  ILE   2          HG23      ILE   2   6.899  -3.914  -4.474
   20   HD11  ILE   2          HD11      ILE   2  10.311  -4.957  -0.833
   21   HD12  ILE   2          HD12      ILE   2   8.550  -5.095  -0.622
   22   HD13  ILE   2          HD13      ILE   2   9.311  -5.636  -2.139
   23    H    LEU   3           H        LEU   3   9.749  -0.798  -3.097
   24    HA   LEU   3           HA       LEU   3   9.396  -0.388  -6.025
   25    HB2  LEU   3           HB2      LEU   3  10.393   1.608  -3.959
   26    HB3  LEU   3           HB3      LEU   3  10.527   1.839  -5.709
   27    HG   LEU   3           HG       LEU   3   7.866   1.409  -4.272
   28   HD11  LEU   3          HD11      LEU   3   9.172   3.989  -5.202
   29   HD12  LEU   3          HD12      LEU   3   7.546   3.825  -4.498
   30   HD13  LEU   3          HD13      LEU   3   8.984   3.478  -3.505
   31   HD21  LEU   3          HD21      LEU   3   8.601   2.451  -7.044
   32   HD22  LEU   3          HD22      LEU   3   7.859   0.872  -6.701
   33   HD23  LEU   3          HD23      LEU   3   6.953   2.365  -6.382
   34    H    THR   4           H        THR   4  11.320  -0.458  -7.239
   35    HA   THR   4           HA       THR   4  13.607  -1.639  -5.776
   36    HB   THR   4           HB       THR   4  13.304  -1.745  -8.757
   37    HG1  THR   4           HG1      THR   4  12.185  -3.676  -8.447
   38   HG21  THR   4          HG21      THR   4  14.551  -3.607  -6.687
   39   HG22  THR   4          HG22      THR   4  14.591  -3.829  -8.450
   40   HG23  THR   4          HG23      THR   4  15.444  -2.459  -7.713
   41    H    CYS   5           H        CYS   5  15.627  -0.799  -5.753
   42    HA   CYS   5           HA       CYS   5  15.882   1.971  -6.556
   43    HB2  CYS   5           HB2      CYS   5  16.874   1.127  -4.486
   44    HB3  CYS   5           HB3      CYS   5  17.883   0.000  -5.412
   45    HA   PRO   6           HA       PRO   6  17.550   1.081 -10.631
   46    HB2  PRO   6           HB2      PRO   6  18.712   3.818 -10.394
   47    HB3  PRO   6           HB3      PRO   6  17.636   3.157 -11.660
   48    HG2  PRO   6           HG2      PRO   6  16.725   4.920  -9.781
   49    HG3  PRO   6           HG3      PRO   6  15.703   3.569 -10.374
   50    HD2  PRO   6           HD2      PRO   6  17.282   3.740  -7.804
   51    HD3  PRO   6           HD3      PRO   6  15.643   3.086  -8.101
   52    H    GLU   7           H        GLU   7  19.335   1.974  -7.770
   53    HA   GLU   7           HA       GLU   7  21.926   1.418  -9.153
   54    HB2  GLU   7           HB2      GLU   7  21.365   2.977  -6.601
   55    HB3  GLU   7           HB3      GLU   7  22.962   2.725  -7.318
   56    HG2  GLU   7           HG2      GLU   7  20.631   4.134  -8.693
   57    HG3  GLU   7           HG3      GLU   7  21.953   4.955  -7.860
   58    H    CYS   8           H        CYS   8  20.048   0.762  -6.139
   59    HA   CYS   8           HA       CYS   8  22.071  -1.143  -5.237
   60    HB2  CYS   8           HB2      CYS   8  19.264  -0.578  -4.179
   61    HB3  CYS   8           HB3      CYS   8  20.491  -1.592  -3.407
   62    H    ALA   9           H        ALA   9  19.368  -1.180  -7.370
   63    HA   ALA   9           HA       ALA   9  18.191  -2.805  -8.422
   64    HB1  ALA   9           HB1      ALA   9  20.726  -4.428  -7.962
   65    HB2  ALA   9           HB2      ALA   9  19.462  -4.760  -9.171
   66    HB3  ALA   9           HB3      ALA   9  20.451  -3.287  -9.299
   67    H    SER  10           H        SER  10  17.705  -2.523  -5.641
   68    HA   SER  10           HA       SER  10  16.836  -5.274  -4.940
   69    HB2  SER  10           HB2      SER  10  18.994  -4.731  -3.803
   70    HB3  SER  10           HB3      SER  10  18.216  -3.328  -3.050
   71    HG   SER  10           HG       SER  10  18.169  -5.201  -1.709
   72    H    ARG  11           H        ARG  11  15.076  -5.294  -3.379
   73    HA   ARG  11           HA       ARG  11  13.214  -3.118  -4.004
   74    HB2  ARG  11           HB2      ARG  11  12.878  -5.790  -2.602
   75    HB3  ARG  11           HB3      ARG  11  11.560  -4.638  -2.909
   76    HG2  ARG  11           HG2      ARG  11  12.099  -4.724  -5.356
   77    HG3  ARG  11           HG3      ARG  11  13.311  -5.980  -5.016
   78    HD2  ARG  11           HD2      ARG  11  11.553  -7.419  -4.042
   79    HD3  ARG  11           HD3      ARG  11  10.348  -6.162  -4.334
   80    HE   ARG  11           HE       ARG  11  10.395  -6.614  -6.642
   81   HH11  ARG  11          HH11      ARG  11  12.761  -8.579  -4.901
   82   HH12  ARG  11          HH12      ARG  11  13.016  -9.673  -6.242
   83   HH21  ARG  11          HH21      ARG  11  10.746  -8.053  -8.373
   84   HH22  ARG  11          HH22      ARG  11  11.865  -9.385  -8.198
   85    H    TYR  12           H        TYR  12  12.002  -1.970  -2.500
   86    HA   TYR  12           HA       TYR  12  12.606  -2.184   0.343
   87    HB2  TYR  12           HB2      TYR  12  14.372  -0.724  -0.172
   88    HB3  TYR  12           HB3      TYR  12  13.371   0.231  -1.277
   89    HD1  TYR  12           HD2      TYR  12  14.090  -0.476   2.289
   90    HD2  TYR  12           HD1      TYR  12  11.881   1.954  -0.494
   91    HE1  TYR  12           HE2      TYR  12  13.549   1.118   4.115
   92    HE2  TYR  12           HE1      TYR  12  11.368   3.569   1.319
   93    HH   TYR  12           HH       TYR  12  12.495   3.065   4.681
   94    H    PHE  13           H        PHE  13  10.920  -1.599   1.652
   95    HA   PHE  13           HA       PHE  13   8.486  -1.068   0.084
   96    HB2  PHE  13           HB2      PHE  13   7.326  -2.095   2.115
   97    HB3  PHE  13           HB3      PHE  13   8.218  -3.120   0.999
   98    HD1  PHE  13           HD2      PHE  13   8.290  -1.611   4.377
   99    HD2  PHE  13           HD1      PHE  13  10.221  -4.298   1.629
  100    HE1  PHE  13           HE2      PHE  13   9.680  -2.505   6.224
  101    HE2  PHE  13           HE1      PHE  13  11.589  -5.213   3.485
  102    HZ   PHE  13           HZ       PHE  13  11.328  -4.312   5.778
  103    H    VAL  14           H        VAL  14   6.799   0.194   0.673
  104    HA   VAL  14           HA       VAL  14   7.109   2.044   2.940
  105    HB   VAL  14           HB       VAL  14   6.690   4.011   1.544
  106   HG11  VAL  14          HG11      VAL  14   9.056   2.436   0.443
  107   HG12  VAL  14          HG12      VAL  14   8.859   4.199   0.429
  108   HG13  VAL  14          HG13      VAL  14   9.052   3.348   1.975
  109   HG21  VAL  14          HG21      VAL  14   5.445   2.943  -0.285
  110   HG22  VAL  14          HG22      VAL  14   6.817   3.870  -0.924
  111   HG23  VAL  14          HG23      VAL  14   6.925   2.103  -0.821
  112    H    ASP  15           H        ASP  15   5.053   3.285   3.297
  113    HA   ASP  15           HA       ASP  15   2.781   1.570   3.068
  114    HB2  ASP  15           HB2      ASP  15   3.041   4.484   3.851
  115    HB3  ASP  15           HB3      ASP  15   1.528   3.569   3.932
  116    H    ASP  16           H        ASP  16   0.780   1.899   1.957
  117    HA   ASP  16           HA       ASP  16   1.204   2.547  -0.789
  118    HB2  ASP  16           HB2      ASP  16  -1.339   2.236  -0.900
  119    HB3  ASP  16           HB3      ASP  16  -0.336   0.853  -0.418
  120    H    SER  17           H        SER  17   0.268   4.513   1.872
  121    HA   SER  17           HA       SER  17  -1.149   6.501   0.301
  122    HB2  SER  17           HB2      SER  17  -1.086   7.808   2.383
  123    HB3  SER  17           HB3      SER  17  -1.575   6.132   2.718
  124    HG   SER  17           HG       SER  17   0.037   6.874   4.163
  125    H    LYS  18           H        LYS  18   2.155   5.682   0.566
  126    HA   LYS  18           HA       LYS  18   3.198   8.404   0.473
  127    HB2  LYS  18           HB2      LYS  18   4.564   5.739  -0.052
  128    HB3  LYS  18           HB3      LYS  18   5.372   7.294   0.205
  129    HG2  LYS  18           HG2      LYS  18   3.628   5.822   2.230
  130    HG3  LYS  18           HG3      LYS  18   5.399   5.945   2.255
  131    HD2  LYS  18           HD2      LYS  18   5.190   8.431   2.461
  132    HD3  LYS  18           HD3      LYS  18   3.421   8.253   2.540
  133    HE2  LYS  18           HE2      LYS  18   3.656   6.802   4.527
  134    HE3  LYS  18           HE3      LYS  18   5.417   6.985   4.457
  135    HZ1  LYS  18           HZ1      LYS  18   3.481   9.169   4.861
  136    HZ2  LYS  18           HZ2      LYS  18   4.436   8.508   6.024
  137    HZ3  LYS  18           HZ3      LYS  18   5.119   9.344   4.787
  138    H    VAL  19           H        VAL  19   1.700   6.413  -1.818
  139    HA   VAL  19           HA       VAL  19   2.797   8.065  -4.015
  140    HB   VAL  19           HB       VAL  19   2.623   5.040  -4.183
  141   HG11  VAL  19          HG11      VAL  19   2.233   6.168  -6.328
  142   HG12  VAL  19          HG12      VAL  19   3.683   7.174  -6.082
  143   HG13  VAL  19          HG13      VAL  19   3.840   5.422  -6.325
  144   HG21  VAL  19          HG21      VAL  19   4.509   5.641  -2.746
  145   HG22  VAL  19          HG22      VAL  19   5.116   5.141  -4.333
  146   HG23  VAL  19          HG23      VAL  19   5.048   6.868  -3.921
  147    H    GLY  20           H        GLY  20   1.350   8.451  -5.697
  148    HA2  GLY  20           HA2      GLY  20  -1.368   7.248  -5.398
  149    HA3  GLY  20           HA3      GLY  20  -1.132   8.974  -5.694
  150    HA   PRO  21           HA       PRO  21  -1.444   6.643  -9.748
  151    HB2  PRO  21           HB2      PRO  21  -3.697   7.887 -10.711
  152    HB3  PRO  21           HB3      PRO  21  -3.750   6.435  -9.657
  153    HG2  PRO  21           HG2      PRO  21  -4.131   9.332  -8.886
  154    HG3  PRO  21           HG3      PRO  21  -5.059   7.898  -8.345
  155    HD2  PRO  21           HD2      PRO  21  -3.029   9.055  -6.877
  156    HD3  PRO  21           HD3      PRO  21  -3.407   7.306  -6.788
  157    H    ASP  22           H        ASP  22  -1.574  10.014  -8.678
  158    HA   ASP  22           HA       ASP  22  -0.759  11.096 -11.249
  159    HB2  ASP  22           HB2      ASP  22  -0.914  12.244  -8.442
  160    HB3  ASP  22           HB3      ASP  22  -0.431  13.176  -9.866
  161    H    GLY  23           H        GLY  23   0.844   9.245  -8.970
  162    HA2  GLY  23           HA2      GLY  23   3.068   8.632  -8.939
  163    HA3  GLY  23           HA3      GLY  23   3.461   9.950 -10.053
  164    H    ARG  24           H        ARG  24   5.031   9.283  -7.805
  165    HA   ARG  24           HA       ARG  24   5.144  11.871  -6.477
  166    HB2  ARG  24           HB2      ARG  24   3.461  10.594  -5.102
  167    HB3  ARG  24           HB3      ARG  24   4.685   9.332  -4.858
  168    HG2  ARG  24           HG2      ARG  24   4.579  10.808  -2.916
  169    HG3  ARG  24           HG3      ARG  24   6.154  10.969  -3.716
  170    HD2  ARG  24           HD2      ARG  24   5.401  13.042  -4.812
  171    HD3  ARG  24           HD3      ARG  24   3.785  12.850  -4.114
  172    HE   ARG  24           HE       ARG  24   6.271  13.644  -2.704
  173   HH11  ARG  24          HH11      ARG  24   2.825  12.881  -2.541
  174   HH12  ARG  24          HH12      ARG  24   2.609  13.640  -0.978
  175   HH21  ARG  24          HH21      ARG  24   5.971  14.608  -0.655
  176   HH22  ARG  24          HH22      ARG  24   4.389  14.616   0.084
  177    H    VAL  25           H        VAL  25   7.245  12.245  -5.645
  178    HA   VAL  25           HA       VAL  25   9.260  10.444  -6.710
  179    HB   VAL  25           HB       VAL  25   9.346  12.972  -6.765
  180   HG11  VAL  25          HG11      VAL  25   8.730  13.340  -4.376
  181   HG12  VAL  25          HG12      VAL  25  10.269  12.589  -3.884
  182   HG13  VAL  25          HG13      VAL  25  10.280  14.105  -4.809
  183   HG21  VAL  25          HG21      VAL  25  11.281  11.518  -7.273
  184   HG22  VAL  25          HG22      VAL  25  11.781  13.018  -6.464
  185   HG23  VAL  25          HG23      VAL  25  11.721  11.499  -5.546
  186    H    VAL  26           H        VAL  26  10.887   9.340  -5.602
  187    HA   VAL  26           HA       VAL  26  10.526   9.030  -2.679
  188    HB   VAL  26           HB       VAL  26  10.558   6.668  -2.761
  189   HG11  VAL  26          HG11      VAL  26   8.742   7.573  -5.039
  190   HG12  VAL  26          HG12      VAL  26   8.560   6.106  -4.048
  191   HG13  VAL  26          HG13      VAL  26   8.350   7.700  -3.307
  192   HG21  VAL  26          HG21      VAL  26  10.800   5.380  -4.851
  193   HG22  VAL  26          HG22      VAL  26  11.024   6.887  -5.763
  194   HG23  VAL  26          HG23      VAL  26  12.231   6.384  -4.563
  195    H    ARG  27           H        ARG  27  12.424   7.791  -1.699
  196    HA   ARG  27           HA       ARG  27  14.931   8.281  -3.194
  197    HB2  ARG  27           HB2      ARG  27  14.429  10.334  -1.885
  198    HB3  ARG  27           HB3      ARG  27  14.394   9.365  -0.398
  199    HG2  ARG  27           HG2      ARG  27  16.744   8.708  -0.743
  200    HG3  ARG  27           HG3      ARG  27  16.778   9.599  -2.285
  201    HD2  ARG  27           HD2      ARG  27  16.246  11.694  -1.043
  202    HD3  ARG  27           HD3      ARG  27  16.337  10.780   0.474
  203    HE   ARG  27           HE       ARG  27  18.657  10.916  -1.415
  204   HH11  ARG  27          HH11      ARG  27  17.290  11.451   1.806
  205   HH12  ARG  27          HH12      ARG  27  18.841  11.800   2.532
  206   HH21  ARG  27          HH21      ARG  27  20.657  11.403  -0.448
  207   HH22  ARG  27          HH22      ARG  27  20.743  11.779   1.259
  208    H    CYS  28           H        CYS  28  16.646   6.996  -2.600
  209    HA   CYS  28           HA       CYS  28  15.951   4.430  -1.514
  210    HB2  CYS  28           HB2      CYS  28  17.624   5.005  -3.353
  211    HB3  CYS  28           HB3      CYS  28  18.732   5.521  -2.073
  212    H    ALA  29           H        ALA  29  16.715   3.420   0.382
  213    HA   ALA  29           HA       ALA  29  17.098   5.229   2.637
  214    HB1  ALA  29           HB1      ALA  29  17.032   2.189   2.448
  215    HB2  ALA  29           HB2      ALA  29  16.974   3.144   3.946
  216    HB3  ALA  29           HB3      ALA  29  15.636   3.247   2.783
  217    H    SER  30           H        SER  30  19.171   3.464   0.448
  218    HA   SER  30           HA       SER  30  21.351   3.513   2.481
  219    HB2  SER  30           HB2      SER  30  22.349   1.667   1.173
  220    HB3  SER  30           HB3      SER  30  20.750   1.267   1.833
  221    HG   SER  30           HG       SER  30  21.028   0.699  -0.403
  222    H    CYS  31           H        CYS  31  20.907   3.781  -1.125
  223    HA   CYS  31           HA       CYS  31  23.535   5.108  -1.197
  224    HB2  CYS  31           HB2      CYS  31  23.559   4.692  -3.514
  225    HB3  CYS  31           HB3      CYS  31  22.887   3.228  -2.761
  226    H    GLY  32           H        GLY  32  20.283   6.064  -0.955
  227    HA2  GLY  32           HA2      GLY  32  19.506   8.210  -0.649
  228    HA3  GLY  32           HA3      GLY  32  21.118   8.837  -1.044
  229    H    ASN  33           H        ASN  33  20.102   6.712  -3.493
  230    HA   ASN  33           HA       ASN  33  19.900   8.729  -5.483
  231    HB2  ASN  33           HB2      ASN  33  20.510   6.318  -5.809
  232    HB3  ASN  33           HB3      ASN  33  18.823   5.885  -5.515
  233   HD21  ASN  33          HD22      ASN  33  18.501   5.016  -7.584
  234   HD22  ASN  33          HD21      ASN  33  18.424   6.022  -9.020
  235    H    ARG  34           H        ARG  34  18.043   9.388  -6.735
  236    HA   ARG  34           HA       ARG  34  15.430   9.173  -5.311
  237    HB2  ARG  34           HB2      ARG  34  16.495  11.261  -4.605
  238    HB3  ARG  34           HB3      ARG  34  16.798  11.706  -6.292
  239    HG2  ARG  34           HG2      ARG  34  14.324  11.695  -6.698
  240    HG3  ARG  34           HG3      ARG  34  14.076  11.372  -4.966
  241    HD2  ARG  34           HD2      ARG  34  15.527  13.781  -6.142
  242    HD3  ARG  34           HD3      ARG  34  13.864  13.794  -5.546
  243    HE   ARG  34           HE       ARG  34  16.335  13.684  -3.940
  244   HH11  ARG  34          HH11      ARG  34  12.810  13.412  -3.999
  245   HH12  ARG  34          HH12      ARG  34  12.638  13.744  -2.291
  246   HH21  ARG  34          HH21      ARG  34  16.078  14.116  -1.709
  247   HH22  ARG  34          HH22      ARG  34  14.480  14.120  -0.995
  248    H    TRP  35           H        TRP  35  13.677   8.958  -6.617
  249    HA   TRP  35           HA       TRP  35  13.751   9.725  -9.424
  250    HB2  TRP  35           HB2      TRP  35  13.459   7.523 -10.343
  251    HB3  TRP  35           HB3      TRP  35  14.960   7.541  -9.426
  252    HD1  TRP  35           HD1      TRP  35  11.600   5.885  -9.657
  253    HE1  TRP  35           HE1      TRP  35  11.363   4.002  -7.966
  254    HE3  TRP  35           HE3      TRP  35  15.797   6.786  -6.867
  255    HZ2  TRP  35           HZ2      TRP  35  12.791   3.016  -5.649
  256    HZ3  TRP  35           HZ3      TRP  35  16.315   5.365  -4.919
  257    HH2  TRP  35           HH2      TRP  35  14.836   3.469  -4.307
  258    H    THR  36           H        THR  36  11.608   9.352 -10.452
  259    HA   THR  36           HA       THR  36   9.491   9.685  -8.495
  260    HB   THR  36           HB       THR  36   8.978   9.522 -11.442
  261    HG1  THR  36           HG1      THR  36   9.630  11.679 -11.565
  262   HG21  THR  36          HG21      THR  36   7.911  11.247  -9.168
  263   HG22  THR  36          HG22      THR  36   7.367  11.314 -10.856
  264   HG23  THR  36          HG23      THR  36   7.081   9.849  -9.901
  265    H    ALA  37           H        ALA  37   7.702   8.439  -8.085
  266    HA   ALA  37           HA       ALA  37   7.694   5.710  -9.288
  267    HB1  ALA  37           HB1      ALA  37   7.053   6.501  -6.418
  268    HB2  ALA  37           HB2      ALA  37   6.981   4.858  -7.102
  269    HB3  ALA  37           HB3      ALA  37   8.544   5.690  -6.956
  270    H    PHE  38           H        PHE  38   5.495   4.667  -9.140
  271    HA   PHE  38           HA       PHE  38   3.256   6.491  -8.800
  272    HB2  PHE  38           HB2      PHE  38   2.373   5.841 -11.132
  273    HB3  PHE  38           HB3      PHE  38   3.574   7.129 -10.969
  274    HD1  PHE  38           HD2      PHE  38   3.070   3.611 -12.024
  275    HD2  PHE  38           HD1      PHE  38   5.783   6.947 -11.868
  276    HE1  PHE  38           HE2      PHE  38   4.587   2.460 -13.623
  277    HE2  PHE  38           HE1      PHE  38   7.303   5.787 -13.444
  278    HZ   PHE  38           HZ       PHE  38   6.705   3.546 -14.325
  279    H    LYS  39           H        LYS  39   1.227   5.578  -8.568
  280    HA   LYS  39           HA       LYS  39   1.320   2.861  -7.539
  281    HB2  LYS  39           HB2      LYS  39   0.077   4.611  -6.403
  282    HB3  LYS  39           HB3      LYS  39  -0.937   4.876  -7.830
  283    HG2  LYS  39           HG2      LYS  39  -1.987   2.746  -7.629
  284    HG3  LYS  39           HG3      LYS  39  -0.766   2.161  -6.475
  285    HD2  LYS  39           HD2      LYS  39  -2.666   4.471  -5.898
  286    HD3  LYS  39           HD3      LYS  39  -2.956   2.783  -5.408
  287    HE2  LYS  39           HE2      LYS  39  -0.827   2.776  -4.159
  288    HE3  LYS  39           HE3      LYS  39  -0.533   4.458  -4.627
  289    HZ1  LYS  39           HZ1      LYS  39  -2.785   3.503  -2.997
  290    HZ2  LYS  39           HZ2      LYS  39  -1.477   4.353  -2.460
  291    HZ3  LYS  39           HZ3      LYS  39  -2.557   5.063  -3.474
  292    H    ASP  40           H        ASP  40   0.006   1.114  -8.215
  293    HA   ASP  40           HA       ASP  40  -1.266   1.219 -10.858
  294    HB2  ASP  40           HB2      ASP  40   1.226   0.893 -11.253
  295    HB3  ASP  40           HB3      ASP  40   1.113  -0.623 -10.342
  296    H    GLU  41           H        GLU  41  -1.785   0.616  -7.875
  297    HA   GLU  41           HA       GLU  41  -2.198  -2.220  -7.665
  298    HB2  GLU  41           HB2      GLU  41  -1.800  -0.792  -5.712
  299    HB3  GLU  41           HB3      GLU  41  -3.206   0.205  -6.122
  300    HG2  GLU  41           HG2      GLU  41  -3.772  -1.260  -4.302
  301    HG3  GLU  41           HG3      GLU  41  -4.698  -1.717  -5.739
  302    H    ALA  42           H        ALA  42  -4.017   0.434  -9.046
  303    HA   ALA  42           HA       ALA  42  -6.137  -1.388  -9.897
  304    HB1  ALA  42           HB1      ALA  42  -6.897  -0.779  -7.634
  305    HB2  ALA  42           HB2      ALA  42  -6.710   0.945  -8.031
  306    HB3  ALA  42           HB3      ALA  42  -7.936  -0.035  -8.872
  307    H    GLU  43           H        GLU  43  -7.614  -0.325 -11.420
  308    HA   GLU  43           HA       GLU  43  -6.917   2.357 -12.360
  309    HB2  GLU  43           HB2      GLU  43  -5.211   1.023 -13.497
  310    HB3  GLU  43           HB3      GLU  43  -6.431  -0.144 -14.024
  311    HG2  GLU  43           HG2      GLU  43  -5.860   1.279 -15.886
  312    HG3  GLU  43           HG3      GLU  43  -7.524   1.604 -15.414
  313    H    LEU  44           H        LEU  44  -8.864  -0.594 -12.504
  314    HA   LEU  44           HA       LEU  44 -10.930   0.711 -14.133
  315    HB2  LEU  44           HB2      LEU  44 -10.934  -2.018 -12.791
  316    HB3  LEU  44           HB3      LEU  44 -12.062  -1.447 -14.030
  317    HG   LEU  44           HG       LEU  44  -9.056  -1.824 -14.408
  318   HD11  LEU  44          HD11      LEU  44 -11.445  -3.419 -15.424
  319   HD12  LEU  44          HD12      LEU  44  -9.740  -3.715 -15.839
  320   HD13  LEU  44          HD13      LEU  44 -10.297  -3.942 -14.169
  321   HD21  LEU  44          HD21      LEU  44  -9.594  -1.469 -16.817
  322   HD22  LEU  44          HD22      LEU  44 -11.273  -1.084 -16.372
  323   HD23  LEU  44          HD23      LEU  44  -9.938  -0.027 -15.852
  324    H    GLU  45           H        GLU  45 -10.101   1.521 -11.233
  325    HA   GLU  45           HA       GLU  45 -11.118   2.235  -9.332
  326    HB2  GLU  45           HB2      GLU  45 -13.509   2.506 -11.190
  327    HB3  GLU  45           HB3      GLU  45 -13.319   3.284  -9.602
  328    HG2  GLU  45           HG2      GLU  45 -11.233   4.390 -10.434
  329    HG3  GLU  45           HG3      GLU  45 -11.533   3.693 -12.038
  330    H    LEU  46           H        LEU  46 -10.860  -0.451  -9.247
  331    HA   LEU  46           HA       LEU  46 -13.263  -1.935  -8.878
  332    HB2  LEU  46           HB2      LEU  46 -10.498  -2.322  -7.653
  333    HB3  LEU  46           HB3      LEU  46 -11.804  -3.501  -7.614
  334    HG   LEU  46           HG       LEU  46 -10.382  -4.224  -9.331
  335   HD11  LEU  46          HD11      LEU  46 -12.797  -4.208  -9.941
  336   HD12  LEU  46          HD12      LEU  46 -12.555  -2.640 -10.755
  337   HD13  LEU  46          HD13      LEU  46 -11.721  -4.084 -11.358
  338   HD21  LEU  46          HD21      LEU  46  -9.113  -2.078  -9.563
  339   HD22  LEU  46          HD22      LEU  46  -9.466  -2.891 -11.099
  340   HD23  LEU  46          HD23      LEU  46 -10.419  -1.471 -10.617
  341    H    VAL  47           H        VAL  47 -14.251  -2.685  -6.932
  342    HA   VAL  47           HA       VAL  47 -14.695  -0.598  -5.020
  343    HB   VAL  47           HB       VAL  47 -15.452  -3.543  -4.947
  344   HG11  VAL  47          HG11      VAL  47 -15.635  -2.450  -2.725
  345   HG12  VAL  47          HG12      VAL  47 -16.616  -1.151  -3.455
  346   HG13  VAL  47          HG13      VAL  47 -17.233  -2.816  -3.407
  347   HG21  VAL  47          HG21      VAL  47 -16.303  -2.389  -6.960
  348   HG22  VAL  47          HG22      VAL  47 -17.627  -2.736  -5.825
  349   HG23  VAL  47          HG23      VAL  47 -16.970  -1.089  -5.942
  350    HA   PRO  48           HA       PRO  48 -11.230  -1.509  -2.395
  351    HB2  PRO  48           HB2      PRO  48 -11.974  -0.078  -0.165
  352    HB3  PRO  48           HB3      PRO  48 -11.335   0.675  -1.665
  353    HG2  PRO  48           HG2      PRO  48 -14.214   0.377  -0.778
  354    HG3  PRO  48           HG3      PRO  48 -13.411   1.803  -1.514
  355    HD2  PRO  48           HD2      PRO  48 -14.945   0.059  -2.959
  356    HD3  PRO  48           HD3      PRO  48 -13.519   0.878  -3.661
  357    H    ARG  49           H        ARG  49 -10.701  -2.819  -0.597
  358    HA   ARG  49           HA       ARG  49 -12.682  -4.817   0.066
  359    HB2  ARG  49           HB2      ARG  49  -9.786  -4.319   0.795
  360    HB3  ARG  49           HB3      ARG  49 -10.740  -5.548   1.642
  361    HG2  ARG  49           HG2      ARG  49  -9.503  -6.565  -0.207
  362    HG3  ARG  49           HG3      ARG  49 -11.248  -6.684  -0.478
  363    HD2  ARG  49           HD2      ARG  49 -11.187  -4.849  -2.072
  364    HD3  ARG  49           HD3      ARG  49  -9.482  -4.524  -1.691
  365    HE   ARG  49           HE       ARG  49  -9.089  -6.917  -2.555
  366   HH11  ARG  49          HH11      ARG  49 -11.628  -4.778  -3.809
  367   HH12  ARG  49          HH12      ARG  49 -11.675  -5.568  -5.363
  368   HH21  ARG  49          HH21      ARG  49  -9.164  -7.900  -4.599
  369   HH22  ARG  49          HH22      ARG  49 -10.280  -7.320  -5.814
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   3.288  -0.634  -0.425
    2    H2   MET   1           H2       MET   1   3.104  -2.261  -0.591
    3    H3   MET   1           H3       MET   1   1.974  -1.239  -1.216
    4    HA   MET   1           HA       MET   1   3.386  -2.155  -2.925
    5    HB2  MET   1           HB2      MET   1   2.356  -0.039  -3.369
    6    HB3  MET   1           HB3      MET   1   3.557   0.830  -2.393
    7    HG2  MET   1           HG2      MET   1   5.291   0.417  -3.967
    8    HG3  MET   1           HG3      MET   1   4.342  -0.821  -4.803
    9    HE1  MET   1           HE1      MET   1   3.118   2.761  -3.592
   10    HE2  MET   1           HE2      MET   1   4.818   2.973  -4.066
   11    HE3  MET   1           HE3      MET   1   3.520   3.727  -5.027
   12    H    ILE   2           H        ILE   2   5.501  -2.203  -3.933
   13    HA   ILE   2           HA       ILE   2   7.725  -1.575  -2.061
   14    HB   ILE   2           HB       ILE   2   6.970  -4.078  -2.322
   15   HG12  ILE   2          HG12      ILE   2   9.911  -3.459  -2.726
   16   HG13  ILE   2          HG13      ILE   2   9.047  -3.045  -1.225
   17   HG21  ILE   2          HG21      ILE   2   8.783  -3.776  -4.754
   18   HG22  ILE   2          HG22      ILE   2   8.072  -5.281  -4.135
   19   HG23  ILE   2          HG23      ILE   2   7.017  -4.032  -4.837
   20   HD11  ILE   2          HD11      ILE   2  10.147  -5.206  -0.978
   21   HD12  ILE   2          HD12      ILE   2   8.385  -5.389  -0.919
   22   HD13  ILE   2          HD13      ILE   2   9.276  -5.845  -2.393
   23    H    LEU   3           H        LEU   3   9.705  -0.996  -3.065
   24    HA   LEU   3           HA       LEU   3   9.530  -0.298  -5.960
   25    HB2  LEU   3           HB2      LEU   3  10.410   1.503  -3.668
   26    HB3  LEU   3           HB3      LEU   3  10.605   1.881  -5.385
   27    HG   LEU   3           HG       LEU   3   7.898   1.331  -4.088
   28   HD11  LEU   3          HD11      LEU   3   8.970   3.314  -3.087
   29   HD12  LEU   3          HD12      LEU   3   9.246   3.978  -4.718
   30   HD13  LEU   3          HD13      LEU   3   7.586   3.763  -4.112
   31   HD21  LEU   3          HD21      LEU   3   8.716   2.626  -6.723
   32   HD22  LEU   3          HD22      LEU   3   7.991   1.009  -6.553
   33   HD23  LEU   3          HD23      LEU   3   7.050   2.456  -6.126
   34    H    THR   4           H        THR   4  11.542  -0.209  -7.043
   35    HA   THR   4           HA       THR   4  13.755  -1.449  -5.510
   36    HB   THR   4           HB       THR   4  13.431  -1.891  -8.451
   37    HG1  THR   4           HG1      THR   4  12.273  -3.748  -7.933
   38   HG21  THR   4          HG21      THR   4  15.565  -2.498  -7.350
   39   HG22  THR   4          HG22      THR   4  14.672  -3.515  -6.194
   40   HG23  THR   4          HG23      THR   4  14.691  -3.937  -7.921
   41    H    CYS   5           H        CYS   5  15.749  -0.618  -5.543
   42    HA   CYS   5           HA       CYS   5  16.102   2.002  -6.754
   43    HB2  CYS   5           HB2      CYS   5  17.017   1.431  -4.534
   44    HB3  CYS   5           HB3      CYS   5  18.019   0.163  -5.269
   45    HA   PRO   6           HA       PRO   6  17.877   0.321 -10.504
   46    HB2  PRO   6           HB2      PRO   6  18.838   2.634 -11.603
   47    HB3  PRO   6           HB3      PRO   6  17.085   2.251 -11.528
   48    HG2  PRO   6           HG2      PRO   6  18.698   4.016  -9.694
   49    HG3  PRO   6           HG3      PRO   6  17.087   4.336 -10.410
   50    HD2  PRO   6           HD2      PRO   6  17.419   3.385  -7.848
   51    HD3  PRO   6           HD3      PRO   6  16.011   2.948  -8.864
   52    H    GLU   7           H        GLU   7  19.589   1.974  -7.945
   53    HA   GLU   7           HA       GLU   7  22.222   1.300  -9.156
   54    HB2  GLU   7           HB2      GLU   7  21.507   2.991  -6.733
   55    HB3  GLU   7           HB3      GLU   7  23.135   2.769  -7.397
   56    HG2  GLU   7           HG2      GLU   7  20.779   4.004  -8.881
   57    HG3  GLU   7           HG3      GLU   7  22.070   4.916  -8.099
   58    H    CYS   8           H        CYS   8  20.257   0.780  -6.183
   59    HA   CYS   8           HA       CYS   8  22.303  -1.037  -5.107
   60    HB2  CYS   8           HB2      CYS   8  19.516  -0.348  -4.075
   61    HB3  CYS   8           HB3      CYS   8  20.758  -1.283  -3.218
   62    H    ALA   9           H        ALA   9  19.509  -1.218  -7.146
   63    HA   ALA   9           HA       ALA   9  18.297  -2.931  -8.009
   64    HB1  ALA   9           HB1      ALA   9  20.849  -4.514  -7.528
   65    HB2  ALA   9           HB2      ALA   9  19.532  -4.942  -8.645
   66    HB3  ALA   9           HB3      ALA   9  20.509  -3.489  -8.942
   67    H    SER  10           H        SER  10  17.872  -2.404  -5.272
   68    HA   SER  10           HA       SER  10  17.130  -5.107  -4.272
   69    HB2  SER  10           HB2      SER  10  19.178  -4.258  -3.143
   70    HB3  SER  10           HB3      SER  10  18.270  -2.825  -2.621
   71    HG   SER  10           HG       SER  10  18.296  -4.494  -1.038
   72    H    ARG  11           H        ARG  11  15.227  -5.191  -3.018
   73    HA   ARG  11           HA       ARG  11  13.300  -3.118  -3.788
   74    HB2  ARG  11           HB2      ARG  11  12.977  -5.779  -2.370
   75    HB3  ARG  11           HB3      ARG  11  11.650  -4.719  -2.876
   76    HG2  ARG  11           HG2      ARG  11  12.504  -4.870  -5.243
   77    HG3  ARG  11           HG3      ARG  11  13.701  -6.064  -4.686
   78    HD2  ARG  11           HD2      ARG  11  11.845  -7.497  -3.853
   79    HD3  ARG  11           HD3      ARG  11  10.673  -6.298  -4.428
   80    HE   ARG  11           HE       ARG  11  12.222  -8.210  -6.041
   81   HH11  ARG  11          HH11      ARG  11  10.252  -5.273  -6.043
   82   HH12  ARG  11          HH12      ARG  11   9.797  -5.436  -7.722
   83   HH21  ARG  11          HH21      ARG  11  11.628  -8.386  -8.243
   84   HH22  ARG  11          HH22      ARG  11  10.582  -7.187  -8.962
   85    H    TYR  12           H        TYR  12  11.871  -2.085  -2.356
   86    HA   TYR  12           HA       TYR  12  12.328  -2.280   0.511
   87    HB2  TYR  12           HB2      TYR  12  13.962  -0.665   0.196
   88    HB3  TYR  12           HB3      TYR  12  13.041   0.172  -1.054
   89    HD1  TYR  12           HD2      TYR  12  11.226   1.703  -0.499
   90    HD2  TYR  12           HD1      TYR  12  13.501  -0.274   2.568
   91    HE1  TYR  12           HE2      TYR  12  10.340   3.301   1.184
   92    HE2  TYR  12           HE1      TYR  12  12.616   1.312   4.258
   93    HH   TYR  12           HH       TYR  12  10.324   3.924   3.392
   94    H    PHE  13           H        PHE  13  10.519  -2.052   1.687
   95    HA   PHE  13           HA       PHE  13   8.127  -1.566   0.064
   96    HB2  PHE  13           HB2      PHE  13   6.976  -2.696   2.061
   97    HB3  PHE  13           HB3      PHE  13   7.951  -3.649   0.941
   98    HD1  PHE  13           HD1      PHE  13   7.877  -2.162   4.338
   99    HD2  PHE  13           HD2      PHE  13   9.963  -4.757   1.614
  100    HE1  PHE  13           HE1      PHE  13   9.257  -3.020   6.213
  101    HE2  PHE  13           HE2      PHE  13  11.346  -5.614   3.494
  102    HZ   PHE  13           HZ       PHE  13  10.998  -4.743   5.789
  103    H    VAL  14           H        VAL  14   6.328  -0.407   0.637
  104    HA   VAL  14           HA       VAL  14   6.415   1.331   2.963
  105    HB   VAL  14           HB       VAL  14   7.862   2.471   1.235
  106   HG11  VAL  14          HG11      VAL  14   5.213   2.823  -0.238
  107   HG12  VAL  14          HG12      VAL  14   6.776   3.534  -0.679
  108   HG13  VAL  14          HG13      VAL  14   6.547   1.772  -0.774
  109   HG21  VAL  14          HG21      VAL  14   6.659   3.652   3.070
  110   HG22  VAL  14          HG22      VAL  14   6.919   4.650   1.626
  111   HG23  VAL  14          HG23      VAL  14   5.311   3.962   1.946
  112    H    ASP  15           H        ASP  15   4.405   2.552   3.252
  113    HA   ASP  15           HA       ASP  15   2.103   1.033   2.511
  114    HB2  ASP  15           HB2      ASP  15   2.373   3.815   3.702
  115    HB3  ASP  15           HB3      ASP  15   0.847   2.934   3.534
  116    H    ASP  16           H        ASP  16   0.281   1.659   1.200
  117    HA   ASP  16           HA       ASP  16   1.102   2.699  -1.343
  118    HB2  ASP  16           HB2      ASP  16  -1.626   2.020  -0.204
  119    HB3  ASP  16           HB3      ASP  16  -1.345   2.492  -1.884
  120    H    SER  17           H        SER  17   0.190   4.341   1.506
  121    HA   SER  17           HA       SER  17  -1.135   6.588   0.223
  122    HB2  SER  17           HB2      SER  17  -0.981   7.597   2.456
  123    HB3  SER  17           HB3      SER  17  -1.578   5.921   2.559
  124    HG   SER  17           HG       SER  17   0.062   6.350   4.091
  125    H    LYS  18           H        LYS  18   2.114   5.527   0.393
  126    HA   LYS  18           HA       LYS  18   3.439   8.055   0.674
  127    HB2  LYS  18           HB2      LYS  18   4.432   5.860   1.221
  128    HB3  LYS  18           HB3      LYS  18   4.289   5.355  -0.464
  129    HG2  LYS  18           HG2      LYS  18   6.582   6.029   0.037
  130    HG3  LYS  18           HG3      LYS  18   5.865   7.111  -1.163
  131    HD2  LYS  18           HD2      LYS  18   7.099   8.418   0.501
  132    HD3  LYS  18           HD3      LYS  18   5.359   8.765   0.628
  133    HE2  LYS  18           HE2      LYS  18   5.183   7.190   2.528
  134    HE3  LYS  18           HE3      LYS  18   6.915   6.822   2.383
  135    HZ1  LYS  18           HZ1      LYS  18   6.504   8.451   4.078
  136    HZ2  LYS  18           HZ2      LYS  18   7.388   9.114   2.864
  137    HZ3  LYS  18           HZ3      LYS  18   5.791   9.471   3.003
  138    H    VAL  19           H        VAL  19   1.728   6.536  -1.934
  139    HA   VAL  19           HA       VAL  19   2.833   8.511  -3.843
  140    HB   VAL  19           HB       VAL  19   2.586   5.535  -4.432
  141   HG11  VAL  19          HG11      VAL  19   3.709   7.861  -6.058
  142   HG12  VAL  19          HG12      VAL  19   3.790   6.148  -6.514
  143   HG13  VAL  19          HG13      VAL  19   2.211   6.960  -6.404
  144   HG21  VAL  19          HG21      VAL  19   4.498   5.896  -2.952
  145   HG22  VAL  19          HG22      VAL  19   5.077   5.597  -4.603
  146   HG23  VAL  19          HG23      VAL  19   5.061   7.251  -3.962
  147    H    GLY  20           H        GLY  20   1.316   9.400  -5.148
  148    HA2  GLY  20           HA2      GLY  20  -1.465   8.411  -4.879
  149    HA3  GLY  20           HA3      GLY  20  -0.959   9.985  -5.507
  150    HA   PRO  21           HA       PRO  21  -1.919   7.016  -9.011
  151    HB2  PRO  21           HB2      PRO  21  -3.979   8.463 -10.140
  152    HB3  PRO  21           HB3      PRO  21  -4.212   7.245  -8.844
  153    HG2  PRO  21           HG2      PRO  21  -4.060  10.254  -8.608
  154    HG3  PRO  21           HG3      PRO  21  -5.174   9.116  -7.778
  155    HD2  PRO  21           HD2      PRO  21  -2.901  10.157  -6.608
  156    HD3  PRO  21           HD3      PRO  21  -3.551   8.537  -6.194
  157    H    ASP  22           H        ASP  22  -1.369  10.468  -8.595
  158    HA   ASP  22           HA       ASP  22  -0.533  10.877 -11.371
  159    HB2  ASP  22           HB2      ASP  22  -0.505  12.622  -8.889
  160    HB3  ASP  22           HB3      ASP  22   0.048  13.154 -10.485
  161    H    GLY  23           H        GLY  23   0.865   9.294  -8.811
  162    HA2  GLY  23           HA2      GLY  23   3.034   8.480  -8.649
  163    HA3  GLY  23           HA3      GLY  23   3.565   9.611  -9.904
  164    H    ARG  24           H        ARG  24   5.081   9.186  -7.621
  165    HA   ARG  24           HA       ARG  24   5.234  11.895  -6.540
  166    HB2  ARG  24           HB2      ARG  24   3.668  10.025  -5.151
  167    HB3  ARG  24           HB3      ARG  24   5.227   9.939  -4.328
  168    HG2  ARG  24           HG2      ARG  24   3.569  12.450  -4.844
  169    HG3  ARG  24           HG3      ARG  24   3.735  11.617  -3.293
  170    HD2  ARG  24           HD2      ARG  24   5.982  12.985  -4.835
  171    HD3  ARG  24           HD3      ARG  24   5.171  13.621  -3.400
  172    HE   ARG  24           HE       ARG  24   7.136  11.418  -3.509
  173   HH11  ARG  24          HH11      ARG  24   4.808  13.240  -1.570
  174   HH12  ARG  24          HH12      ARG  24   5.518  12.742  -0.050
  175   HH21  ARG  24          HH21      ARG  24   8.016  10.772  -1.549
  176   HH22  ARG  24          HH22      ARG  24   7.346  11.347  -0.035
  177    H    VAL  25           H        VAL  25   7.353  12.348  -5.868
  178    HA   VAL  25           HA       VAL  25   9.379  10.484  -6.714
  179    HB   VAL  25           HB       VAL  25   9.548  12.948  -6.900
  180   HG11  VAL  25          HG11      VAL  25   9.983  12.822  -3.888
  181   HG12  VAL  25          HG12      VAL  25  10.149  14.269  -4.910
  182   HG13  VAL  25          HG13      VAL  25   8.555  13.514  -4.695
  183   HG21  VAL  25          HG21      VAL  25  11.569  11.500  -6.955
  184   HG22  VAL  25          HG22      VAL  25  11.902  13.109  -6.280
  185   HG23  VAL  25          HG23      VAL  25  11.749  11.715  -5.191
  186    H    VAL  26           H        VAL  26  10.983   9.441  -5.507
  187    HA   VAL  26           HA       VAL  26  10.568   9.236  -2.578
  188    HB   VAL  26           HB       VAL  26  10.716   6.846  -2.611
  189   HG11  VAL  26          HG11      VAL  26   8.464   7.836  -3.007
  190   HG12  VAL  26          HG12      VAL  26   8.725   7.696  -4.763
  191   HG13  VAL  26          HG13      VAL  26   8.645   6.234  -3.755
  192   HG21  VAL  26          HG21      VAL  26  10.976   7.060  -5.642
  193   HG22  VAL  26          HG22      VAL  26  12.270   6.589  -4.519
  194   HG23  VAL  26          HG23      VAL  26  10.842   5.550  -4.707
  195    H    ARG  27           H        ARG  27  12.521   7.894  -1.621
  196    HA   ARG  27           HA       ARG  27  15.003   8.501  -3.116
  197    HB2  ARG  27           HB2      ARG  27  16.005   9.555  -1.159
  198    HB3  ARG  27           HB3      ARG  27  14.570  10.456  -1.688
  199    HG2  ARG  27           HG2      ARG  27  13.221   9.359   0.084
  200    HG3  ARG  27           HG3      ARG  27  14.661   8.457   0.611
  201    HD2  ARG  27           HD2      ARG  27  15.822  10.609   1.054
  202    HD3  ARG  27           HD3      ARG  27  14.368  11.485   0.561
  203    HE   ARG  27           HE       ARG  27  13.293  10.860   2.560
  204   HH11  ARG  27          HH21      ARG  27  16.481   9.343   2.291
  205   HH12  ARG  27          HH22      ARG  27  16.508   8.842   3.966
  206   HH21  ARG  27          HH11      ARG  27  13.365  10.187   4.745
  207   HH22  ARG  27          HH12      ARG  27  14.764   9.336   5.353
  208    H    CYS  28           H        CYS  28  16.771   7.257  -2.563
  209    HA   CYS  28           HA       CYS  28  16.101   4.639  -1.458
  210    HB2  CYS  28           HB2      CYS  28  17.440   5.008  -3.547
  211    HB3  CYS  28           HB3      CYS  28  18.724   5.729  -2.558
  212    H    ALA  29           H        ALA  29  16.746   3.813   0.478
  213    HA   ALA  29           HA       ALA  29  17.963   5.615   2.431
  214    HB1  ALA  29           HB1      ALA  29  17.142   2.689   2.603
  215    HB2  ALA  29           HB2      ALA  29  17.595   3.720   3.971
  216    HB3  ALA  29           HB3      ALA  29  16.124   4.085   3.037
  217    H    SER  30           H        SER  30  19.185   3.560   0.000
  218    HA   SER  30           HA       SER  30  21.530   2.772   1.657
  219    HB2  SER  30           HB2      SER  30  20.251   1.528  -0.795
  220    HB3  SER  30           HB3      SER  30  21.819   1.020  -0.132
  221    HG   SER  30           HG       SER  30  19.328   1.044   1.236
  222    H    CYS  31           H        CYS  31  20.622   4.760  -1.088
  223    HA   CYS  31           HA       CYS  31  23.473   5.452  -1.299
  224    HB2  CYS  31           HB2      CYS  31  23.630   5.163  -3.666
  225    HB3  CYS  31           HB3      CYS  31  23.065   3.633  -2.958
  226    H    GLY  32           H        GLY  32  20.248   6.449  -1.142
  227    HA2  GLY  32           HA2      GLY  32  19.507   8.617  -0.897
  228    HA3  GLY  32           HA3      GLY  32  21.118   9.205  -1.346
  229    H    ASN  33           H        ASN  33  20.165   7.018  -3.719
  230    HA   ASN  33           HA       ASN  33  19.774   8.989  -5.731
  231    HB2  ASN  33           HB2      ASN  33  20.558   6.603  -6.007
  232    HB3  ASN  33           HB3      ASN  33  18.891   6.076  -5.716
  233   HD21  ASN  33          HD22      ASN  33  18.735   5.135  -7.808
  234   HD22  ASN  33          HD21      ASN  33  18.595   6.125  -9.247
  235    H    ARG  34           H        ARG  34  17.808   9.498  -6.933
  236    HA   ARG  34           HA       ARG  34  15.278   8.920  -5.478
  237    HB2  ARG  34           HB2      ARG  34  16.108  11.680  -6.447
  238    HB3  ARG  34           HB3      ARG  34  14.582  11.237  -5.657
  239    HG2  ARG  34           HG2      ARG  34  15.955  10.477  -3.647
  240    HG3  ARG  34           HG3      ARG  34  17.377  11.172  -4.448
  241    HD2  ARG  34           HD2      ARG  34  16.514  12.815  -2.921
  242    HD3  ARG  34           HD3      ARG  34  16.148  13.374  -4.564
  243    HE   ARG  34           HE       ARG  34  13.849  12.190  -4.076
  244   HH11  ARG  34          HH11      ARG  34  15.796  14.082  -1.813
  245   HH12  ARG  34          HH12      ARG  34  14.420  14.555  -0.839
  246   HH21  ARG  34          HH21      ARG  34  12.068  12.832  -2.796
  247   HH22  ARG  34          HH22      ARG  34  12.317  13.860  -1.401
  248    H    TRP  35           H        TRP  35  13.403   8.969  -6.728
  249    HA   TRP  35           HA       TRP  35  13.449   9.667  -9.544
  250    HB2  TRP  35           HB2      TRP  35  12.967   7.427 -10.389
  251    HB3  TRP  35           HB3      TRP  35  14.560   7.474  -9.645
  252    HD1  TRP  35           HD1      TRP  35  11.113   5.952  -9.259
  253    HE1  TRP  35           HE1      TRP  35  11.133   4.095  -7.517
  254    HE3  TRP  35           HE3      TRP  35  15.834   6.649  -7.407
  255    HZ2  TRP  35           HZ2      TRP  35  12.940   3.076  -5.507
  256    HZ3  TRP  35           HZ3      TRP  35  16.665   5.225  -5.563
  257    HH2  TRP  35           HH2      TRP  35  15.236   3.439  -4.606
  258    H    THR  36           H        THR  36  11.270   9.379 -10.512
  259    HA   THR  36           HA       THR  36   9.200   9.770  -8.520
  260    HB   THR  36           HB       THR  36   8.667   9.525 -11.459
  261    HG1  THR  36           HG1      THR  36   9.240  11.711 -11.596
  262   HG21  THR  36          HG21      THR  36   7.530  11.238  -9.206
  263   HG22  THR  36          HG22      THR  36   6.973  11.241 -10.893
  264   HG23  THR  36          HG23      THR  36   6.767   9.784  -9.893
  265    H    ALA  37           H        ALA  37   7.967   8.295  -7.589
  266    HA   ALA  37           HA       ALA  37   7.835   5.579  -8.744
  267    HB1  ALA  37           HB1      ALA  37   6.915   6.703  -6.065
  268    HB2  ALA  37           HB2      ALA  37   6.908   4.987  -6.535
  269    HB3  ALA  37           HB3      ALA  37   8.451   5.848  -6.362
  270    H    PHE  38           H        PHE  38   5.763   4.476  -8.856
  271    HA   PHE  38           HA       PHE  38   3.340   6.082  -8.717
  272    HB2  PHE  38           HB2      PHE  38   2.679   5.377 -11.078
  273    HB3  PHE  38           HB3      PHE  38   3.791   6.736 -10.876
  274    HD1  PHE  38           HD2      PHE  38   3.534   3.203 -11.942
  275    HD2  PHE  38           HD1      PHE  38   6.082   6.650 -11.598
  276    HE1  PHE  38           HE2      PHE  38   5.206   2.119 -13.426
  277    HE2  PHE  38           HE1      PHE  38   7.746   5.568 -13.082
  278    HZ   PHE  38           HZ       PHE  38   7.317   3.297 -13.988
  279    H    LYS  39           H        LYS  39   1.396   4.924  -8.643
  280    HA   LYS  39           HA       LYS  39   1.722   2.278  -7.524
  281    HB2  LYS  39           HB2      LYS  39   0.000   3.996  -6.818
  282    HB3  LYS  39           HB3      LYS  39  -0.825   3.729  -8.365
  283    HG2  LYS  39           HG2      LYS  39  -1.929   2.364  -6.726
  284    HG3  LYS  39           HG3      LYS  39  -0.987   1.269  -7.754
  285    HD2  LYS  39           HD2      LYS  39   0.839   1.254  -6.050
  286    HD3  LYS  39           HD3      LYS  39  -0.109   2.354  -5.034
  287    HE2  LYS  39           HE2      LYS  39  -0.947  -0.434  -5.910
  288    HE3  LYS  39           HE3      LYS  39  -0.280  -0.016  -4.322
  289    HZ1  LYS  39           HZ1      LYS  39  -2.648  -0.104  -4.223
  290    HZ2  LYS  39           HZ2      LYS  39  -2.161   1.452  -3.998
  291    HZ3  LYS  39           HZ3      LYS  39  -2.803   0.990  -5.442
  292    H    ASP  40           H        ASP  40   1.185   0.285  -8.367
  293    HA   ASP  40           HA       ASP  40   0.023   0.081 -11.053
  294    HB2  ASP  40           HB2      ASP  40   2.451   0.633 -11.394
  295    HB3  ASP  40           HB3      ASP  40   2.875  -0.842 -10.510
  296    H    GLU  41           H        GLU  41   0.886  -1.139  -7.942
  297    HA   GLU  41           HA       GLU  41   0.651  -3.958  -8.457
  298    HB2  GLU  41           HB2      GLU  41   0.312  -2.274  -5.944
  299    HB3  GLU  41           HB3      GLU  41   0.288  -4.050  -5.964
  300    HG2  GLU  41           HG2      GLU  41   2.566  -4.036  -6.999
  301    HG3  GLU  41           HG3      GLU  41   2.591  -2.270  -6.870
  302    H    ALA  42           H        ALA  42  -1.691  -1.409  -8.307
  303    HA   ALA  42           HA       ALA  42  -3.882  -3.295  -8.598
  304    HB1  ALA  42           HB1      ALA  42  -3.727  -1.528  -6.122
  305    HB2  ALA  42           HB2      ALA  42  -5.098  -2.563  -6.588
  306    HB3  ALA  42           HB3      ALA  42  -3.537  -3.292  -6.133
  307    H    GLU  43           H        GLU  43  -5.994  -2.073  -8.828
  308    HA   GLU  43           HA       GLU  43  -5.756   0.774  -9.472
  309    HB2  GLU  43           HB2      GLU  43  -4.942  -0.400 -11.511
  310    HB3  GLU  43           HB3      GLU  43  -6.483  -1.277 -11.608
  311    HG2  GLU  43           HG2      GLU  43  -7.704   0.815 -11.900
  312    HG3  GLU  43           HG3      GLU  43  -6.216   1.752 -11.658
  313    H    LEU  44           H        LEU  44  -7.879   1.754  -9.847
  314    HA   LEU  44           HA       LEU  44  -9.827   0.656  -8.034
  315    HB2  LEU  44           HB2      LEU  44  -9.714   3.054  -9.890
  316    HB3  LEU  44           HB3      LEU  44 -11.204   2.628  -9.031
  317    HG   LEU  44           HG       LEU  44  -9.961   2.712  -6.867
  318   HD11  LEU  44          HD11      LEU  44  -7.729   3.811  -8.629
  319   HD12  LEU  44          HD12      LEU  44  -7.787   3.971  -6.856
  320   HD13  LEU  44          HD13      LEU  44  -7.657   2.364  -7.589
  321   HD21  LEU  44          HD21      LEU  44 -11.281   4.619  -7.711
  322   HD22  LEU  44          HD22      LEU  44  -9.862   5.178  -6.798
  323   HD23  LEU  44          HD23      LEU  44  -9.848   5.234  -8.573
  324    H    GLU  45           H        GLU  45  -9.141  -0.207 -11.210
  325    HA   GLU  45           HA       GLU  45 -11.897  -0.615 -12.092
  326    HB2  GLU  45           HB2      GLU  45  -9.215  -1.500 -13.232
  327    HB3  GLU  45           HB3      GLU  45 -10.775  -1.724 -14.037
  328    HG2  GLU  45           HG2      GLU  45  -9.613   0.976 -13.216
  329    HG3  GLU  45           HG3      GLU  45  -9.530   0.287 -14.844
  330    H    LEU  46           H        LEU  46 -10.255  -2.093  -9.695
  331    HA   LEU  46           HA       LEU  46 -10.413  -4.853 -10.363
  332    HB2  LEU  46           HB2      LEU  46  -9.825  -5.270  -8.159
  333    HB3  LEU  46           HB3      LEU  46  -9.108  -3.686  -8.463
  334    HG   LEU  46           HG       LEU  46 -11.775  -4.167  -7.044
  335   HD11  LEU  46          HD11      LEU  46 -10.525  -3.581  -5.004
  336   HD12  LEU  46          HD12      LEU  46  -9.828  -5.021  -5.776
  337   HD13  LEU  46          HD13      LEU  46  -9.028  -3.442  -5.959
  338   HD21  LEU  46          HD21      LEU  46 -11.670  -1.936  -8.097
  339   HD22  LEU  46          HD22      LEU  46 -11.503  -1.795  -6.337
  340   HD23  LEU  46          HD23      LEU  46 -10.066  -1.660  -7.372
  341    H    VAL  47           H        VAL  47 -11.838  -6.468  -9.383
  342    HA   VAL  47           HA       VAL  47 -14.576  -5.840  -9.923
  343    HB   VAL  47           HB       VAL  47 -15.023  -8.144  -9.460
  344   HG11  VAL  47          HG11      VAL  47 -12.199  -7.943 -10.603
  345   HG12  VAL  47          HG12      VAL  47 -13.373  -9.252 -10.867
  346   HG13  VAL  47          HG13      VAL  47 -13.697  -7.630 -11.513
  347   HG21  VAL  47          HG21      VAL  47 -13.880  -8.377  -7.304
  348   HG22  VAL  47          HG22      VAL  47 -13.334  -9.636  -8.432
  349   HG23  VAL  47          HG23      VAL  47 -12.296  -8.232  -8.104
  350    HA   PRO  48           HA       PRO  48 -16.034  -4.549  -5.979
  351    HB2  PRO  48           HB2      PRO  48 -18.642  -5.440  -6.034
  352    HB3  PRO  48           HB3      PRO  48 -18.048  -4.041  -6.989
  353    HG2  PRO  48           HG2      PRO  48 -18.472  -6.904  -7.881
  354    HG3  PRO  48           HG3      PRO  48 -18.895  -5.390  -8.745
  355    HD2  PRO  48           HD2      PRO  48 -16.629  -6.830  -9.305
  356    HD3  PRO  48           HD3      PRO  48 -16.684  -5.047  -9.435
  357    H    ARG  49           H        ARG  49 -16.865  -5.353  -3.896
  358    HA   ARG  49           HA       ARG  49 -16.973  -8.257  -3.496
  359    HB2  ARG  49           HB2      ARG  49 -14.557  -7.821  -3.464
  360    HB3  ARG  49           HB3      ARG  49 -14.790  -6.526  -2.270
  361    HG2  ARG  49           HG2      ARG  49 -15.678  -8.164  -0.647
  362    HG3  ARG  49           HG3      ARG  49 -15.508  -9.460  -1.848
  363    HD2  ARG  49           HD2      ARG  49 -13.067  -9.080  -1.931
  364    HD3  ARG  49           HD3      ARG  49 -13.223  -7.761  -0.759
  365    HE   ARG  49           HE       ARG  49 -13.477 -10.668  -0.230
  366   HH11  ARG  49          HH11      ARG  49 -13.646  -7.352   0.994
  367   HH12  ARG  49          HH12      ARG  49 -13.538  -7.840   2.668
  368   HH21  ARG  49          HH21      ARG  49 -13.338 -11.272   1.966
  369   HH22  ARG  49          HH22      ARG  49 -13.372 -10.050   3.219
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   2.535  -0.990  -2.106
    2    H2   MET   1           H2       MET   1   2.564  -2.601  -1.769
    3    H3   MET   1           H3       MET   1   1.503  -2.012  -2.885
    4    HA   MET   1           HA       MET   1   3.279  -3.123  -3.977
    5    HB2  MET   1           HB2      MET   1   3.932  -1.342  -5.505
    6    HB3  MET   1           HB3      MET   1   2.228  -1.135  -5.058
    7    HG2  MET   1           HG2      MET   1   2.870   0.570  -3.393
    8    HG3  MET   1           HG3      MET   1   4.574   0.343  -3.811
    9    HE1  MET   1           HE1      MET   1   4.045   3.870  -5.218
   10    HE2  MET   1           HE2      MET   1   3.393   3.187  -3.714
   11    HE3  MET   1           HE3      MET   1   5.052   2.790  -4.226
   12    H    ILE   2           H        ILE   2   5.631  -2.595  -4.801
   13    HA   ILE   2           HA       ILE   2   7.329  -1.606  -2.595
   14    HB   ILE   2           HB       ILE   2   6.983  -4.155  -2.519
   15   HG12  ILE   2          HG12      ILE   2   9.868  -3.294  -2.896
   16   HG13  ILE   2          HG13      ILE   2   8.875  -2.721  -1.534
   17   HG21  ILE   2          HG21      ILE   2   8.287  -5.507  -4.073
   18   HG22  ILE   2          HG22      ILE   2   7.181  -4.485  -5.015
   19   HG23  ILE   2          HG23      ILE   2   8.905  -4.054  -4.883
   20   HD11  ILE   2          HD11      ILE   2  10.185  -4.709  -0.887
   21   HD12  ILE   2          HD12      ILE   2   8.440  -5.041  -0.838
   22   HD13  ILE   2          HD13      ILE   2   9.426  -5.644  -2.190
   23    H    LEU   3           H        LEU   3   9.464  -0.965  -3.334
   24    HA   LEU   3           HA       LEU   3   9.531  -0.413  -6.267
   25    HB2  LEU   3           HB2      LEU   3  10.276   1.388  -3.930
   26    HB3  LEU   3           HB3      LEU   3  10.602   1.772  -5.630
   27    HG   LEU   3           HG       LEU   3   7.796   1.181  -4.583
   28   HD11  LEU   3          HD11      LEU   3   9.184   3.861  -4.995
   29   HD12  LEU   3          HD12      LEU   3   7.471   3.624  -4.576
   30   HD13  LEU   3          HD13      LEU   3   8.739   3.154  -3.423
   31   HD21  LEU   3          HD21      LEU   3   8.111   0.938  -7.023
   32   HD22  LEU   3          HD22      LEU   3   7.152   2.390  -6.657
   33   HD23  LEU   3          HD23      LEU   3   8.870   2.549  -7.091
   34    H    THR   4           H        THR   4  11.573  -0.342  -7.261
   35    HA   THR   4           HA       THR   4  13.735  -1.592  -5.661
   36    HB   THR   4           HB       THR   4  13.560  -1.920  -8.632
   37    HG1  THR   4           HG1      THR   4  12.411  -3.820  -8.230
   38   HG21  THR   4          HG21      THR   4  14.674  -3.660  -6.390
   39   HG22  THR   4          HG22      THR   4  14.825  -3.960  -8.136
   40   HG23  THR   4          HG23      THR   4  15.642  -2.564  -7.411
   41    H    CYS   5           H        CYS   5  15.768  -0.796  -5.648
   42    HA   CYS   5           HA       CYS   5  16.072   1.926  -6.573
   43    HB2  CYS   5           HB2      CYS   5  17.019   1.145  -4.452
   44    HB3  CYS   5           HB3      CYS   5  18.040  -0.019  -5.336
   45    HA   PRO   6           HA       PRO   6  17.799   0.863 -10.575
   46    HB2  PRO   6           HB2      PRO   6  18.978   3.598 -10.434
   47    HB3  PRO   6           HB3      PRO   6  17.904   2.894 -11.684
   48    HG2  PRO   6           HG2      PRO   6  16.995   4.746  -9.884
   49    HG3  PRO   6           HG3      PRO   6  15.971   3.386 -10.450
   50    HD2  PRO   6           HD2      PRO   6  17.492   3.626  -7.851
   51    HD3  PRO   6           HD3      PRO   6  15.851   2.983  -8.170
   52    H    GLU   7           H        GLU   7  19.525   1.867  -7.720
   53    HA   GLU   7           HA       GLU   7  22.143   1.247  -9.021
   54    HB2  GLU   7           HB2      GLU   7  21.539   2.910  -6.548
   55    HB3  GLU   7           HB3      GLU   7  23.146   2.637  -7.246
   56    HG2  GLU   7           HG2      GLU   7  20.810   3.996  -8.664
   57    HG3  GLU   7           HG3      GLU   7  22.151   4.838  -7.876
   58    H    CYS   8           H        CYS   8  20.202   0.724  -6.017
   59    HA   CYS   8           HA       CYS   8  22.199  -1.161  -5.011
   60    HB2  CYS   8           HB2      CYS   8  19.380  -0.546  -4.018
   61    HB3  CYS   8           HB3      CYS   8  20.601  -1.526  -3.187
   62    H    ALA   9           H        ALA   9  19.534  -1.268  -7.183
   63    HA   ALA   9           HA       ALA   9  18.360  -2.936  -8.178
   64    HB1  ALA   9           HB1      ALA   9  20.877  -4.549  -7.607
   65    HB2  ALA   9           HB2      ALA   9  19.637  -4.919  -8.828
   66    HB3  ALA   9           HB3      ALA   9  20.633  -3.457  -8.990
   67    H    SER  10           H        SER  10  18.075  -2.590  -5.255
   68    HA   SER  10           HA       SER  10  17.074  -5.314  -4.554
   69    HB2  SER  10           HB2      SER  10  18.401  -3.221  -2.791
   70    HB3  SER  10           HB3      SER  10  17.575  -4.678  -2.184
   71    HG   SER  10           HG       SER  10  19.818  -4.580  -3.924
   72    H    ARG  11           H        ARG  11  15.182  -5.332  -3.177
   73    HA   ARG  11           HA       ARG  11  13.342  -3.192  -3.979
   74    HB2  ARG  11           HB2      ARG  11  12.930  -5.810  -2.495
   75    HB3  ARG  11           HB3      ARG  11  11.635  -4.689  -2.961
   76    HG2  ARG  11           HG2      ARG  11  12.383  -4.890  -5.356
   77    HG3  ARG  11           HG3      ARG  11  13.527  -6.149  -4.847
   78    HD2  ARG  11           HD2      ARG  11  10.504  -6.218  -4.447
   79    HD3  ARG  11           HD3      ARG  11  11.378  -7.099  -5.705
   80    HE   ARG  11           HE       ARG  11  11.261  -7.741  -2.834
   81   HH11  ARG  11          HH11      ARG  11  12.837  -8.330  -5.941
   82   HH12  ARG  11          HH12      ARG  11  13.483  -9.879  -5.457
   83   HH21  ARG  11          HH21      ARG  11  12.115  -9.772  -2.224
   84   HH22  ARG  11          HH22      ARG  11  13.070 -10.695  -3.360
   85    H    TYR  12           H        TYR  12  11.977  -2.079  -2.574
   86    HA   TYR  12           HA       TYR  12  12.486  -2.124   0.290
   87    HB2  TYR  12           HB2      TYR  12  14.250  -0.664  -0.205
   88    HB3  TYR  12           HB3      TYR  12  13.312   0.192  -1.430
   89    HD1  TYR  12           HD1      TYR  12  13.701  -0.310   2.232
   90    HD2  TYR  12           HD2      TYR  12  11.902   2.034  -0.892
   91    HE1  TYR  12           HE1      TYR  12  13.047   1.408   3.904
   92    HE2  TYR  12           HE2      TYR  12  11.267   3.769   0.767
   93    HH   TYR  12           HH       TYR  12  11.297   4.398   2.965
   94    H    PHE  13           H        PHE  13  10.805  -1.316   1.545
   95    HA   PHE  13           HA       PHE  13   8.388  -0.828  -0.099
   96    HB2  PHE  13           HB2      PHE  13   7.165  -1.966   1.828
   97    HB3  PHE  13           HB3      PHE  13   8.088  -2.937   0.685
   98    HD1  PHE  13           HD2      PHE  13   8.054  -1.593   4.141
   99    HD2  PHE  13           HD1      PHE  13  10.053  -4.172   1.336
  100    HE1  PHE  13           HE2      PHE  13   9.347  -2.612   5.992
  101    HE2  PHE  13           HE1      PHE  13  11.342  -5.192   3.195
  102    HZ   PHE  13           HZ       PHE  13  10.986  -4.410   5.522
  103    H    VAL  14           H        VAL  14   6.692   0.417   0.552
  104    HA   VAL  14           HA       VAL  14   7.010   2.109   2.949
  105    HB   VAL  14           HB       VAL  14   6.560   4.148   1.685
  106   HG11  VAL  14          HG11      VAL  14   8.947   3.471   2.021
  107   HG12  VAL  14          HG12      VAL  14   8.912   2.664   0.437
  108   HG13  VAL  14          HG13      VAL  14   8.705   4.422   0.542
  109   HG21  VAL  14          HG21      VAL  14   5.289   3.172  -0.182
  110   HG22  VAL  14          HG22      VAL  14   6.635   4.159  -0.787
  111   HG23  VAL  14          HG23      VAL  14   6.762   2.381  -0.790
  112    H    ASP  15           H        ASP  15   4.929   3.309   3.398
  113    HA   ASP  15           HA       ASP  15   2.676   1.575   3.093
  114    HB2  ASP  15           HB2      ASP  15   3.002   3.115   4.988
  115    HB3  ASP  15           HB3      ASP  15   2.857   4.505   3.897
  116    H    ASP  16           H        ASP  16   0.894   1.705   1.696
  117    HA   ASP  16           HA       ASP  16   1.443   2.750  -0.900
  118    HB2  ASP  16           HB2      ASP  16  -1.064   1.590   0.350
  119    HB3  ASP  16           HB3      ASP  16  -0.952   2.055  -1.350
  120    H    SER  17           H        SER  17   0.366   4.410   1.841
  121    HA   SER  17           HA       SER  17  -1.350   6.302   0.431
  122    HB2  SER  17           HB2      SER  17  -1.680   5.724   2.813
  123    HB3  SER  17           HB3      SER  17  -0.075   6.372   3.197
  124    HG   SER  17           HG       SER  17  -1.756   7.898   3.555
  125    H    LYS  18           H        LYS  18   2.044   5.827   0.762
  126    HA   LYS  18           HA       LYS  18   2.822   8.624   0.773
  127    HB2  LYS  18           HB2      LYS  18   4.411   6.106   0.130
  128    HB3  LYS  18           HB3      LYS  18   5.095   7.713   0.428
  129    HG2  LYS  18           HG2      LYS  18   3.471   6.091   2.432
  130    HG3  LYS  18           HG3      LYS  18   5.234   6.273   2.425
  131    HD2  LYS  18           HD2      LYS  18   4.962   8.738   2.679
  132    HD3  LYS  18           HD3      LYS  18   3.201   8.514   2.806
  133    HE2  LYS  18           HE2      LYS  18   3.514   7.050   4.763
  134    HE3  LYS  18           HE3      LYS  18   5.273   7.231   4.632
  135    HZ1  LYS  18           HZ1      LYS  18   4.350   8.717   6.265
  136    HZ2  LYS  18           HZ2      LYS  18   4.999   9.581   5.024
  137    HZ3  LYS  18           HZ3      LYS  18   3.367   9.416   5.147
  138    H    VAL  19           H        VAL  19   1.569   6.588  -1.650
  139    HA   VAL  19           HA       VAL  19   2.545   8.440  -3.740
  140    HB   VAL  19           HB       VAL  19   2.659   5.424  -4.054
  141   HG11  VAL  19          HG11      VAL  19   3.591   7.722  -5.821
  142   HG12  VAL  19          HG12      VAL  19   3.923   6.000  -6.118
  143   HG13  VAL  19          HG13      VAL  19   2.253   6.594  -6.160
  144   HG21  VAL  19          HG21      VAL  19   4.429   6.102  -2.513
  145   HG22  VAL  19          HG22      VAL  19   5.135   5.743  -4.101
  146   HG23  VAL  19          HG23      VAL  19   4.902   7.431  -3.602
  147    H    GLY  20           H        GLY  20   1.153   8.666  -5.533
  148    HA2  GLY  20           HA2      GLY  20  -1.483   7.271  -5.300
  149    HA3  GLY  20           HA3      GLY  20  -1.354   9.008  -5.615
  150    HA   PRO  21           HA       PRO  21  -1.432   6.626  -9.638
  151    HB2  PRO  21           HB2      PRO  21  -3.672   7.835 -10.690
  152    HB3  PRO  21           HB3      PRO  21  -3.741   6.382  -9.645
  153    HG2  PRO  21           HG2      PRO  21  -4.200   9.270  -8.885
  154    HG3  PRO  21           HG3      PRO  21  -5.119   7.817  -8.375
  155    HD2  PRO  21           HD2      PRO  21  -3.167   9.012  -6.833
  156    HD3  PRO  21           HD3      PRO  21  -3.498   7.256  -6.767
  157    H    ASP  22           H        ASP  22  -1.603   9.994  -8.585
  158    HA   ASP  22           HA       ASP  22  -0.781  11.082 -11.149
  159    HB2  ASP  22           HB2      ASP  22  -0.960  12.222  -8.343
  160    HB3  ASP  22           HB3      ASP  22  -0.464  13.156  -9.764
  161    H    GLY  23           H        GLY  23   0.810   9.245  -8.845
  162    HA2  GLY  23           HA2      GLY  23   3.025   8.612  -8.830
  163    HA3  GLY  23           HA3      GLY  23   3.416   9.906  -9.971
  164    H    ARG  24           H        ARG  24   5.011   9.266  -7.750
  165    HA   ARG  24           HA       ARG  24   5.150  11.865  -6.442
  166    HB2  ARG  24           HB2      ARG  24   3.482  10.331  -5.101
  167    HB3  ARG  24           HB3      ARG  24   4.941   9.424  -4.659
  168    HG2  ARG  24           HG2      ARG  24   4.878  10.915  -2.893
  169    HG3  ARG  24           HG3      ARG  24   5.840  11.872  -4.029
  170    HD2  ARG  24           HD2      ARG  24   2.829  12.053  -3.558
  171    HD3  ARG  24           HD3      ARG  24   4.034  13.229  -3.042
  172    HE   ARG  24           HE       ARG  24   3.161  12.696  -5.846
  173   HH11  ARG  24          HH11      ARG  24   4.906  14.719  -3.526
  174   HH12  ARG  24          HH12      ARG  24   5.114  16.038  -4.654
  175   HH21  ARG  24          HH21      ARG  24   3.448  14.423  -7.297
  176   HH22  ARG  24          HH22      ARG  24   4.298  15.864  -6.792
  177    H    VAL  25           H        VAL  25   7.271  12.267  -5.690
  178    HA   VAL  25           HA       VAL  25   9.256  10.438  -6.731
  179    HB   VAL  25           HB       VAL  25   9.346  12.973  -6.778
  180   HG11  VAL  25          HG11      VAL  25  10.327  12.548  -3.926
  181   HG12  VAL  25          HG12      VAL  25  10.304  14.082  -4.822
  182   HG13  VAL  25          HG13      VAL  25   8.775  13.297  -4.366
  183   HG21  VAL  25          HG21      VAL  25  11.260  11.501  -7.346
  184   HG22  VAL  25          HG22      VAL  25  11.774  13.008  -6.567
  185   HG23  VAL  25          HG23      VAL  25  11.750  11.496  -5.630
  186    H    VAL  26           H        VAL  26  10.939   9.393  -5.613
  187    HA   VAL  26           HA       VAL  26  10.564   9.045  -2.694
  188    HB   VAL  26           HB       VAL  26  10.668   6.672  -2.808
  189   HG11  VAL  26          HG11      VAL  26   8.756   7.587  -5.001
  190   HG12  VAL  26          HG12      VAL  26   8.647   6.083  -4.063
  191   HG13  VAL  26          HG13      VAL  26   8.426   7.650  -3.252
  192   HG21  VAL  26          HG21      VAL  26  12.289   6.429  -4.646
  193   HG22  VAL  26          HG22      VAL  26  10.854   5.434  -4.946
  194   HG23  VAL  26          HG23      VAL  26  11.053   6.970  -5.814
  195    H    ARG  27           H        ARG  27  12.490   7.872  -1.694
  196    HA   ARG  27           HA       ARG  27  14.982   8.394  -3.203
  197    HB2  ARG  27           HB2      ARG  27  14.472  10.433  -1.907
  198    HB3  ARG  27           HB3      ARG  27  14.401   9.472  -0.414
  199    HG2  ARG  27           HG2      ARG  27  16.756   8.835  -0.671
  200    HG3  ARG  27           HG3      ARG  27  16.844   9.693  -2.231
  201    HD2  ARG  27           HD2      ARG  27  16.291  11.815  -1.086
  202    HD3  ARG  27           HD3      ARG  27  16.248  10.968   0.469
  203    HE   ARG  27           HE       ARG  27  18.661  11.412  -1.241
  204   HH11  ARG  27          HH11      ARG  27  17.232  10.546   1.878
  205   HH12  ARG  27          HH12      ARG  27  18.763  10.599   2.726
  206   HH21  ARG  27          HH21      ARG  27  20.635  11.495  -0.108
  207   HH22  ARG  27          HH22      ARG  27  20.673  11.151   1.605
  208    H    CYS  28           H        CYS  28  16.686   7.090  -2.679
  209    HA   CYS  28           HA       CYS  28  15.997   4.555  -1.473
  210    HB2  CYS  28           HB2      CYS  28  17.451   4.887  -3.483
  211    HB3  CYS  28           HB3      CYS  28  18.690   5.611  -2.433
  212    H    ALA  29           H        ALA  29  16.499   3.770   0.508
  213    HA   ALA  29           HA       ALA  29  17.668   5.556   2.500
  214    HB1  ALA  29           HB1      ALA  29  17.173   3.686   4.033
  215    HB2  ALA  29           HB2      ALA  29  15.758   4.066   3.025
  216    HB3  ALA  29           HB3      ALA  29  16.768   2.647   2.651
  217    H    SER  30           H        SER  30  18.956   3.449   0.140
  218    HA   SER  30           HA       SER  30  21.186   2.614   1.918
  219    HB2  SER  30           HB2      SER  30  19.985   1.377  -0.577
  220    HB3  SER  30           HB3      SER  30  21.518   0.840   0.153
  221    HG   SER  30           HG       SER  30  19.708  -0.330   0.931
  222    H    CYS  31           H        CYS  31  20.456   4.599  -0.887
  223    HA   CYS  31           HA       CYS  31  23.324   5.232  -0.983
  224    HB2  CYS  31           HB2      CYS  31  23.620   4.859  -3.321
  225    HB3  CYS  31           HB3      CYS  31  22.961   3.367  -2.618
  226    H    GLY  32           H        GLY  32  20.138   6.291  -0.975
  227    HA2  GLY  32           HA2      GLY  32  19.461   8.479  -0.765
  228    HA3  GLY  32           HA3      GLY  32  21.095   9.019  -1.188
  229    H    ASN  33           H        ASN  33  20.075   6.827  -3.544
  230    HA   ASN  33           HA       ASN  33  19.886   8.768  -5.606
  231    HB2  ASN  33           HB2      ASN  33  20.481   6.331  -5.826
  232    HB3  ASN  33           HB3      ASN  33  18.776   5.935  -5.561
  233   HD21  ASN  33          HD22      ASN  33  18.744   4.936  -7.671
  234   HD22  ASN  33          HD21      ASN  33  18.622   5.920  -9.114
  235    H    ARG  34           H        ARG  34  18.005   9.379  -6.890
  236    HA   ARG  34           HA       ARG  34  15.421   9.245  -5.424
  237    HB2  ARG  34           HB2      ARG  34  16.510  11.255  -4.641
  238    HB3  ARG  34           HB3      ARG  34  16.920  11.738  -6.295
  239    HG2  ARG  34           HG2      ARG  34  14.530  12.029  -6.829
  240    HG3  ARG  34           HG3      ARG  34  14.090  11.491  -5.188
  241    HD2  ARG  34           HD2      ARG  34  15.355  13.360  -4.215
  242    HD3  ARG  34           HD3      ARG  34  15.874  13.880  -5.826
  243    HE   ARG  34           HE       ARG  34  13.153  14.121  -4.655
  244   HH11  ARG  34          HH11      ARG  34  15.343  14.686  -7.374
  245   HH12  ARG  34          HH12      ARG  34  14.300  15.875  -8.125
  246   HH21  ARG  34          HH21      ARG  34  11.812  15.676  -5.656
  247   HH22  ARG  34          HH22      ARG  34  12.305  16.435  -7.150
  248    H    TRP  35           H        TRP  35  13.672   9.047  -6.712
  249    HA   TRP  35           HA       TRP  35  13.686   9.887  -9.500
  250    HB2  TRP  35           HB2      TRP  35  13.414   7.689 -10.467
  251    HB3  TRP  35           HB3      TRP  35  14.938   7.736  -9.597
  252    HD1  TRP  35           HD1      TRP  35  11.594   6.008  -9.700
  253    HE1  TRP  35           HE1      TRP  35  11.492   4.082  -8.044
  254    HE3  TRP  35           HE3      TRP  35  15.932   6.918  -7.149
  255    HZ2  TRP  35           HZ2      TRP  35  13.054   3.088  -5.822
  256    HZ3  TRP  35           HZ3      TRP  35  16.581   5.473  -5.245
  257    HH2  TRP  35           HH2      TRP  35  15.166   3.554  -4.581
  258    H    THR  36           H        THR  36  11.538   9.453 -10.512
  259    HA   THR  36           HA       THR  36   9.445   9.749  -8.536
  260    HB   THR  36           HB       THR  36   8.873   9.520 -11.462
  261    HG1  THR  36           HG1      THR  36   9.466  11.707 -11.634
  262   HG21  THR  36          HG21      THR  36   7.244  11.302 -10.860
  263   HG22  THR  36          HG22      THR  36   7.011   9.833  -9.889
  264   HG23  THR  36          HG23      THR  36   7.825  11.249  -9.179
  265    H    ALA  37           H        ALA  37   7.726   8.464  -8.042
  266    HA   ALA  37           HA       ALA  37   7.723   5.727  -9.220
  267    HB1  ALA  37           HB1      ALA  37   7.166   6.538  -6.341
  268    HB2  ALA  37           HB2      ALA  37   7.112   4.891  -6.996
  269    HB3  ALA  37           HB3      ALA  37   8.665   5.765  -6.918
  270    H    PHE  38           H        PHE  38   5.533   4.642  -8.905
  271    HA   PHE  38           HA       PHE  38   3.302   6.470  -8.556
  272    HB2  PHE  38           HB2      PHE  38   2.333   5.734 -10.830
  273    HB3  PHE  38           HB3      PHE  38   3.523   7.036 -10.744
  274    HD1  PHE  38           HD2      PHE  38   3.016   3.488 -11.694
  275    HD2  PHE  38           HD1      PHE  38   5.720   6.831 -11.704
  276    HE1  PHE  38           HE2      PHE  38   4.478   2.309 -13.320
  277    HE2  PHE  38           HE1      PHE  38   7.181   5.653 -13.318
  278    HZ   PHE  38           HZ       PHE  38   6.558   3.395 -14.139
  279    H    LYS  39           H        LYS  39   1.258   5.549  -8.296
  280    HA   LYS  39           HA       LYS  39   1.388   2.945  -7.051
  281    HB2  LYS  39           HB2      LYS  39   0.006   4.708  -6.135
  282    HB3  LYS  39           HB3      LYS  39  -0.920   4.838  -7.644
  283    HG2  LYS  39           HG2      LYS  39  -1.911   2.686  -7.360
  284    HG3  LYS  39           HG3      LYS  39  -0.775   2.240  -6.068
  285    HD2  LYS  39           HD2      LYS  39  -2.788   4.511  -5.841
  286    HD3  LYS  39           HD3      LYS  39  -3.065   2.860  -5.238
  287    HE2  LYS  39           HE2      LYS  39  -1.023   3.043  -3.836
  288    HE3  LYS  39           HE3      LYS  39  -0.808   4.715  -4.388
  289    HZ1  LYS  39           HZ1      LYS  39  -3.118   3.697  -2.879
  290    HZ2  LYS  39           HZ2      LYS  39  -1.907   4.650  -2.297
  291    HZ3  LYS  39           HZ3      LYS  39  -2.952   5.236  -3.429
  292    H    ASP  40           H        ASP  40   0.170   1.078  -7.592
  293    HA   ASP  40           HA       ASP  40  -0.915   0.882 -10.331
  294    HB2  ASP  40           HB2      ASP  40   1.569   0.449 -10.446
  295    HB3  ASP  40           HB3      ASP  40   1.337  -0.899  -9.325
  296    H    GLU  41           H        GLU  41  -1.490   0.587  -7.212
  297    HA   GLU  41           HA       GLU  41  -2.277  -2.179  -6.900
  298    HB2  GLU  41           HB2      GLU  41  -2.947   0.389  -5.399
  299    HB3  GLU  41           HB3      GLU  41  -3.460  -1.214  -4.869
  300    HG2  GLU  41           HG2      GLU  41  -0.560  -0.362  -5.295
  301    HG3  GLU  41           HG3      GLU  41  -1.380  -0.383  -3.732
  302    H    ALA  42           H        ALA  42  -3.677   0.569  -8.472
  303    HA   ALA  42           HA       ALA  42  -6.129  -0.892  -9.056
  304    HB1  ALA  42           HB1      ALA  42  -7.629   0.771  -8.041
  305    HB2  ALA  42           HB2      ALA  42  -6.587   0.044  -6.792
  306    HB3  ALA  42           HB3      ALA  42  -6.228   1.671  -7.412
  307    H    GLU  43           H        GLU  43  -7.554   0.421 -10.522
  308    HA   GLU  43           HA       GLU  43  -6.335   2.744 -11.813
  309    HB2  GLU  43           HB2      GLU  43  -5.125   0.916 -12.907
  310    HB3  GLU  43           HB3      GLU  43  -6.640   0.063 -13.222
  311    HG2  GLU  43           HG2      GLU  43  -5.875   1.128 -15.256
  312    HG3  GLU  43           HG3      GLU  43  -7.364   1.903 -14.731
  313    H    LEU  44           H        LEU  44  -7.810   3.841 -13.227
  314    HA   LEU  44           HA       LEU  44 -10.543   3.650 -12.373
  315    HB2  LEU  44           HB2      LEU  44  -9.331   5.156 -14.719
  316    HB3  LEU  44           HB3      LEU  44 -10.910   5.472 -13.976
  317    HG   LEU  44           HG       LEU  44  -8.213   5.745 -12.575
  318   HD11  LEU  44          HD11      LEU  44  -8.705   8.167 -12.672
  319   HD12  LEU  44          HD12      LEU  44  -8.608   7.469 -14.300
  320   HD13  LEU  44          HD13      LEU  44 -10.195   7.829 -13.584
  321   HD21  LEU  44          HD21      LEU  44  -9.996   5.137 -11.001
  322   HD22  LEU  44          HD22      LEU  44  -9.580   6.852 -10.799
  323   HD23  LEU  44          HD23      LEU  44 -11.055   6.397 -11.679
  324    H    GLU  45           H        GLU  45 -12.417   3.493 -13.883
  325    HA   GLU  45           HA       GLU  45 -12.022   1.840 -16.268
  326    HB2  GLU  45           HB2      GLU  45 -12.039   0.121 -14.561
  327    HB3  GLU  45           HB3      GLU  45 -13.418   0.869 -13.749
  328    HG2  GLU  45           HG2      GLU  45 -14.185  -1.070 -14.953
  329    HG3  GLU  45           HG3      GLU  45 -14.851   0.378 -15.713
  330    H    LEU  46           H        LEU  46 -13.686   2.058 -17.730
  331    HA   LEU  46           HA       LEU  46 -15.305   3.255 -18.797
  332    HB2  LEU  46           HB2      LEU  46 -16.738   2.621 -16.187
  333    HB3  LEU  46           HB3      LEU  46 -17.544   3.247 -17.636
  334    HG   LEU  46           HG       LEU  46 -15.923   0.664 -17.582
  335   HD11  LEU  46          HD11      LEU  46 -18.933   1.102 -17.444
  336   HD12  LEU  46          HD12      LEU  46 -18.112  -0.468 -17.568
  337   HD13  LEU  46          HD13      LEU  46 -17.901   0.526 -16.111
  338   HD21  LEU  46          HD21      LEU  46 -16.118   1.669 -19.829
  339   HD22  LEU  46          HD22      LEU  46 -17.151   0.239 -19.711
  340   HD23  LEU  46          HD23      LEU  46 -17.869   1.866 -19.599
  341    H    VAL  47           H        VAL  47 -13.455   4.974 -18.047
  342    HA   VAL  47           HA       VAL  47 -14.242   6.942 -16.193
  343    HB   VAL  47           HB       VAL  47 -12.352   8.118 -16.757
  344   HG11  VAL  47          HG11      VAL  47 -11.707   5.304 -17.750
  345   HG12  VAL  47          HG12      VAL  47 -10.587   6.470 -17.009
  346   HG13  VAL  47          HG13      VAL  47 -11.889   5.750 -16.035
  347   HG21  VAL  47          HG21      VAL  47 -11.179   8.012 -18.904
  348   HG22  VAL  47          HG22      VAL  47 -12.375   6.850 -19.526
  349   HG23  VAL  47          HG23      VAL  47 -12.856   8.518 -19.151
  350    HA   PRO  48           HA       PRO  48 -16.143   9.387 -19.913
  351    HB2  PRO  48           HB2      PRO  48 -17.863   7.164 -20.939
  352    HB3  PRO  48           HB3      PRO  48 -17.060   8.486 -21.845
  353    HG2  PRO  48           HG2      PRO  48 -16.110   5.936 -21.921
  354    HG3  PRO  48           HG3      PRO  48 -14.990   7.342 -21.855
  355    HD2  PRO  48           HD2      PRO  48 -15.908   5.546 -19.605
  356    HD3  PRO  48           HD3      PRO  48 -14.257   6.146 -19.967
  357    H    ARG  49           H        ARG  49 -17.152   7.161 -17.531
  358    HA   ARG  49           HA       ARG  49 -19.934   7.649 -17.329
  359    HB2  ARG  49           HB2      ARG  49 -18.790   5.807 -16.209
  360    HB3  ARG  49           HB3      ARG  49 -17.833   6.954 -15.244
  361    HG2  ARG  49           HG2      ARG  49 -19.895   7.778 -14.158
  362    HG3  ARG  49           HG3      ARG  49 -20.869   6.672 -15.152
  363    HD2  ARG  49           HD2      ARG  49 -20.511   5.686 -12.956
  364    HD3  ARG  49           HD3      ARG  49 -19.622   4.748 -14.168
  365    HE   ARG  49           HE       ARG  49 -18.472   6.596 -12.129
  366   HH11  ARG  49          HH11      ARG  49 -17.971   4.178 -14.660
  367   HH12  ARG  49          HH12      ARG  49 -16.286   3.935 -14.257
  368   HH21  ARG  49          HH21      ARG  49 -16.288   6.241 -11.610
  369   HH22  ARG  49          HH22      ARG  49 -15.342   5.089 -12.524
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1   1.746  -1.901  -2.547
    2    H2   MET   1           H2       MET   1   2.788  -0.806  -1.894
    3    H3   MET   1           H3       MET   1   2.858  -2.386  -1.434
    4    HA   MET   1           HA       MET   1   3.494  -3.059  -3.633
    5    HB2  MET   1           HB2      MET   1   4.096  -1.360  -5.291
    6    HB3  MET   1           HB3      MET   1   2.388  -1.219  -4.845
    7    HG2  MET   1           HG2      MET   1   2.941   0.626  -3.302
    8    HG3  MET   1           HG3      MET   1   4.653   0.468  -3.716
    9    HE1  MET   1           HE1      MET   1   3.854   3.874  -5.325
   10    HE2  MET   1           HE2      MET   1   3.248   3.233  -3.779
   11    HE3  MET   1           HE3      MET   1   4.937   2.944  -4.270
   12    H    ILE   2           H        ILE   2   5.798  -2.581  -4.574
   13    HA   ILE   2           HA       ILE   2   7.590  -1.434  -2.512
   14    HB   ILE   2           HB       ILE   2   7.234  -3.970  -2.239
   15   HG12  ILE   2          HG12      ILE   2  10.108  -3.153  -2.755
   16   HG13  ILE   2          HG13      ILE   2   9.146  -2.489  -1.403
   17   HG21  ILE   2          HG21      ILE   2   9.078  -4.032  -4.667
   18   HG22  ILE   2          HG22      ILE   2   8.504  -5.426  -3.728
   19   HG23  ILE   2          HG23      ILE   2   7.358  -4.485  -4.707
   20   HD11  ILE   2          HD11      ILE   2  10.465  -4.441  -0.674
   21   HD12  ILE   2          HD12      ILE   2   8.716  -4.759  -0.566
   22   HD13  ILE   2          HD13      ILE   2   9.668  -5.448  -1.903
   23    H    LEU   3           H        LEU   3   9.698  -0.859  -3.373
   24    HA   LEU   3           HA       LEU   3   9.637  -0.486  -6.334
   25    HB2  LEU   3           HB2      LEU   3  10.497   1.457  -4.158
   26    HB3  LEU   3           HB3      LEU   3  10.657   1.744  -5.900
   27    HG   LEU   3           HG       LEU   3   7.976   1.179  -4.546
   28   HD11  LEU   3          HD11      LEU   3   9.248   3.840  -5.276
   29   HD12  LEU   3          HD12      LEU   3   7.598   3.605  -4.646
   30   HD13  LEU   3          HD13      LEU   3   9.002   3.230  -3.622
   31   HD21  LEU   3          HD21      LEU   3   8.049   0.785  -7.000
   32   HD22  LEU   3          HD22      LEU   3   7.097   2.231  -6.615
   33   HD23  LEU   3          HD23      LEU   3   8.761   2.400  -7.227
   34    H    THR   4           H        THR   4  11.662  -0.465  -7.400
   35    HA   THR   4           HA       THR   4  13.857  -1.632  -5.776
   36    HB   THR   4           HB       THR   4  13.666  -1.988  -8.746
   37    HG1  THR   4           HG1      THR   4  12.551  -3.894  -8.314
   38   HG21  THR   4          HG21      THR   4  15.774  -2.584  -7.573
   39   HG22  THR   4          HG22      THR   4  14.857  -3.661  -6.490
   40   HG23  THR   4          HG23      THR   4  14.957  -4.022  -8.226
   41    H    CYS   5           H        CYS   5  15.860  -0.795  -5.745
   42    HA   CYS   5           HA       CYS   5  16.206   1.889  -6.822
   43    HB2  CYS   5           HB2      CYS   5  17.039   1.219  -4.597
   44    HB3  CYS   5           HB3      CYS   5  18.101   0.017  -5.353
   45    HA   PRO   6           HA       PRO   6  18.145   0.385 -10.564
   46    HB2  PRO   6           HB2      PRO   6  19.074   2.762 -11.553
   47    HB3  PRO   6           HB3      PRO   6  17.333   2.329 -11.558
   48    HG2  PRO   6           HG2      PRO   6  18.830   4.062  -9.598
   49    HG3  PRO   6           HG3      PRO   6  17.237   4.373 -10.369
   50    HD2  PRO   6           HD2      PRO   6  17.508   3.338  -7.828
   51    HD3  PRO   6           HD3      PRO   6  16.142   2.899  -8.897
   52    H    GLU   7           H        GLU   7  19.704   1.944  -7.868
   53    HA   GLU   7           HA       GLU   7  22.400   1.404  -9.017
   54    HB2  GLU   7           HB2      GLU   7  21.572   2.990  -6.551
   55    HB3  GLU   7           HB3      GLU   7  23.221   2.819  -7.170
   56    HG2  GLU   7           HG2      GLU   7  20.900   4.061  -8.702
   57    HG3  GLU   7           HG3      GLU   7  22.135   4.970  -7.824
   58    H    CYS   8           H        CYS   8  20.372   0.751  -6.103
   59    HA   CYS   8           HA       CYS   8  22.410  -1.071  -5.047
   60    HB2  CYS   8           HB2      CYS   8  19.558  -0.518  -4.122
   61    HB3  CYS   8           HB3      CYS   8  20.779  -1.464  -3.253
   62    H    ALA   9           H        ALA   9  19.719  -1.237  -7.219
   63    HA   ALA   9           HA       ALA   9  18.574  -2.937  -8.189
   64    HB1  ALA   9           HB1      ALA   9  21.127  -4.500  -7.651
   65    HB2  ALA   9           HB2      ALA   9  19.868  -4.907  -8.840
   66    HB3  ALA   9           HB3      ALA   9  20.833  -3.424  -9.043
   67    H    SER  10           H        SER  10  18.059  -2.496  -5.467
   68    HA   SER  10           HA       SER  10  17.235  -5.209  -4.581
   69    HB2  SER  10           HB2      SER  10  19.325  -4.497  -3.413
   70    HB3  SER  10           HB3      SER  10  18.470  -3.065  -2.814
   71    HG   SER  10           HG       SER  10  18.427  -4.822  -1.320
   72    H    ARG  11           H        ARG  11  15.441  -5.125  -3.005
   73    HA   ARG  11           HA       ARG  11  13.514  -3.126  -3.951
   74    HB2  ARG  11           HB2      ARG  11  13.221  -5.583  -2.187
   75    HB3  ARG  11           HB3      ARG  11  11.881  -4.546  -2.725
   76    HG2  ARG  11           HG2      ARG  11  12.570  -4.986  -5.109
   77    HG3  ARG  11           HG3      ARG  11  13.743  -6.176  -4.507
   78    HD2  ARG  11           HD2      ARG  11  10.742  -6.224  -3.997
   79    HD3  ARG  11           HD3      ARG  11  11.594  -7.221  -5.192
   80    HE   ARG  11           HE       ARG  11  11.575  -7.563  -2.267
   81   HH11  ARG  11          HH11      ARG  11  13.040  -8.458  -5.355
   82   HH12  ARG  11          HH12      ARG  11  13.720  -9.946  -4.739
   83   HH21  ARG  11          HH21      ARG  11  12.479  -9.515  -1.484
   84   HH22  ARG  11          HH22      ARG  11  13.400 -10.545  -2.554
   85    H    TYR  12           H        TYR  12  12.179  -1.883  -2.633
   86    HA   TYR  12           HA       TYR  12  12.758  -1.626   0.205
   87    HB2  TYR  12           HB2      TYR  12  14.463  -0.175  -0.466
   88    HB3  TYR  12           HB3      TYR  12  13.496   0.507  -1.770
   89    HD1  TYR  12           HD1      TYR  12  13.956   0.435   1.918
   90    HD2  TYR  12           HD2      TYR  12  12.006   2.339  -1.413
   91    HE1  TYR  12           HE1      TYR  12  13.257   2.298   3.397
   92    HE2  TYR  12           HE2      TYR  12  11.337   4.226   0.053
   93    HH   TYR  12           HH       TYR  12  12.165   4.301   3.543
   94    H    PHE  13           H        PHE  13  11.061  -0.867   1.407
   95    HA   PHE  13           HA       PHE  13   8.612  -0.571  -0.221
   96    HB2  PHE  13           HB2      PHE  13   7.464  -1.477   1.888
   97    HB3  PHE  13           HB3      PHE  13   8.358  -2.567   0.831
   98    HD1  PHE  13           HD1      PHE  13   8.459  -0.782   4.086
   99    HD2  PHE  13           HD2      PHE  13  10.326  -3.732   1.573
  100    HE1  PHE  13           HE1      PHE  13   9.836  -1.546   6.002
  101    HE2  PHE  13           HE2      PHE  13  11.703  -4.491   3.492
  102    HZ   PHE  13           HZ       PHE  13  11.458  -3.402   5.706
  103    H    VAL  14           H        VAL  14   6.881   0.682   0.320
  104    HA   VAL  14           HA       VAL  14   7.240   2.728   2.426
  105    HB   VAL  14           HB       VAL  14   6.633   4.524   0.895
  106   HG11  VAL  14          HG11      VAL  14   8.972   2.934  -0.244
  107   HG12  VAL  14          HG12      VAL  14   8.695   4.680  -0.403
  108   HG13  VAL  14          HG13      VAL  14   9.045   3.983   1.196
  109   HG21  VAL  14          HG21      VAL  14   6.779   2.419  -1.303
  110   HG22  VAL  14          HG22      VAL  14   5.297   3.218  -0.720
  111   HG23  VAL  14          HG23      VAL  14   6.556   4.161  -1.546
  112    H    ASP  15           H        ASP  15   5.165   3.852   2.884
  113    HA   ASP  15           HA       ASP  15   2.975   2.007   2.943
  114    HB2  ASP  15           HB2      ASP  15   3.139   4.978   3.534
  115    HB3  ASP  15           HB3      ASP  15   1.710   3.975   3.838
  116    H    ASP  16           H        ASP  16   0.940   2.064   1.890
  117    HA   ASP  16           HA       ASP  16   1.119   2.816  -0.878
  118    HB2  ASP  16           HB2      ASP  16  -1.171   1.804   0.825
  119    HB3  ASP  16           HB3      ASP  16  -1.291   2.096  -0.919
  120    H    SER  17           H        SER  17   0.447   4.707   1.846
  121    HA   SER  17           HA       SER  17  -1.329   6.569   0.409
  122    HB2  SER  17           HB2      SER  17  -1.358   7.772   2.552
  123    HB3  SER  17           HB3      SER  17  -1.725   6.051   2.789
  124    HG   SER  17           HG       SER  17   0.725   7.397   3.262
  125    H    LYS  18           H        LYS  18   2.034   5.974   0.681
  126    HA   LYS  18           HA       LYS  18   2.953   8.715   0.694
  127    HB2  LYS  18           HB2      LYS  18   4.268   6.844   1.590
  128    HB3  LYS  18           HB3      LYS  18   4.289   6.073  -0.006
  129    HG2  LYS  18           HG2      LYS  18   6.400   7.227   0.488
  130    HG3  LYS  18           HG3      LYS  18   5.593   7.922  -0.929
  131    HD2  LYS  18           HD2      LYS  18   4.742   9.791   0.451
  132    HD3  LYS  18           HD3      LYS  18   5.457   9.056   1.907
  133    HE2  LYS  18           HE2      LYS  18   7.699   9.239   0.881
  134    HE3  LYS  18           HE3      LYS  18   6.982   9.978  -0.563
  135    HZ1  LYS  18           HZ1      LYS  18   6.863  11.095   2.159
  136    HZ2  LYS  18           HZ2      LYS  18   7.849  11.625   0.954
  137    HZ3  LYS  18           HZ3      LYS  18   6.219  11.789   0.810
  138    H    VAL  19           H        VAL  19   1.611   6.614  -1.700
  139    HA   VAL  19           HA       VAL  19   2.457   8.497  -3.827
  140    HB   VAL  19           HB       VAL  19   2.559   5.483  -4.162
  141   HG11  VAL  19          HG11      VAL  19   3.514   7.812  -5.879
  142   HG12  VAL  19          HG12      VAL  19   3.836   6.099  -6.216
  143   HG13  VAL  19          HG13      VAL  19   2.164   6.707  -6.245
  144   HG21  VAL  19          HG21      VAL  19   4.828   7.458  -3.684
  145   HG22  VAL  19          HG22      VAL  19   4.335   6.127  -2.610
  146   HG23  VAL  19          HG23      VAL  19   5.032   5.771  -4.204
  147    H    GLY  20           H        GLY  20   1.026   8.711  -5.574
  148    HA2  GLY  20           HA2      GLY  20  -1.594   7.308  -5.281
  149    HA3  GLY  20           HA3      GLY  20  -1.488   9.044  -5.593
  150    HA   PRO  21           HA       PRO  21  -1.635   6.723  -9.648
  151    HB2  PRO  21           HB2      PRO  21  -3.812   8.044 -10.687
  152    HB3  PRO  21           HB3      PRO  21  -3.941   6.581  -9.660
  153    HG2  PRO  21           HG2      PRO  21  -4.281   9.481  -8.855
  154    HG3  PRO  21           HG3      PRO  21  -5.259   8.057  -8.365
  155    HD2  PRO  21           HD2      PRO  21  -3.264   9.139  -6.800
  156    HD3  PRO  21           HD3      PRO  21  -3.673   7.397  -6.777
  157    H    ASP  22           H        ASP  22  -1.672  10.087  -8.568
  158    HA   ASP  22           HA       ASP  22  -0.802  11.175 -11.113
  159    HB2  ASP  22           HB2      ASP  22  -0.936  12.281  -8.292
  160    HB3  ASP  22           HB3      ASP  22  -0.410  13.218  -9.696
  161    H    GLY  23           H        GLY  23   0.715   9.283  -8.785
  162    HA2  GLY  23           HA2      GLY  23   2.902   8.593  -8.679
  163    HA3  GLY  23           HA3      GLY  23   3.350   9.804  -9.893
  164    H    ARG  24           H        ARG  24   4.907   9.222  -7.619
  165    HA   ARG  24           HA       ARG  24   5.205  11.899  -6.510
  166    HB2  ARG  24           HB2      ARG  24   3.470  10.843  -5.018
  167    HB3  ARG  24           HB3      ARG  24   4.627   9.541  -4.672
  168    HG2  ARG  24           HG2      ARG  24   4.640  11.190  -2.863
  169    HG3  ARG  24           HG3      ARG  24   6.200  11.196  -3.696
  170    HD2  ARG  24           HD2      ARG  24   5.529  13.192  -4.978
  171    HD3  ARG  24           HD3      ARG  24   3.924  13.152  -4.236
  172    HE   ARG  24           HE       ARG  24   6.462  14.002  -2.984
  173   HH11  ARG  24          HH11      ARG  24   3.028  13.255  -2.580
  174   HH12  ARG  24          HH12      ARG  24   2.898  14.116  -1.063
  175   HH21  ARG  24          HH21      ARG  24   6.260  15.136  -1.010
  176   HH22  ARG  24          HH22      ARG  24   4.725  15.185  -0.181
  177    H    VAL  25           H        VAL  25   7.322  12.208  -5.679
  178    HA   VAL  25           HA       VAL  25   9.241  10.277  -6.663
  179    HB   VAL  25           HB       VAL  25   9.491  12.774  -6.787
  180   HG11  VAL  25          HG11      VAL  25  10.222  12.462  -3.846
  181   HG12  VAL  25          HG12      VAL  25  10.347  13.947  -4.822
  182   HG13  VAL  25          HG13      VAL  25   8.750  13.253  -4.457
  183   HG21  VAL  25          HG21      VAL  25  11.906  12.734  -6.371
  184   HG22  VAL  25          HG22      VAL  25  11.741  11.275  -5.374
  185   HG23  VAL  25          HG23      VAL  25  11.391  11.217  -7.125
  186    H    VAL  26           H        VAL  26  10.828   9.145  -5.501
  187    HA   VAL  26           HA       VAL  26  10.393   8.893  -2.576
  188    HB   VAL  26           HB       VAL  26  10.502   6.532  -2.637
  189   HG11  VAL  26          HG11      VAL  26   8.702   7.386  -4.950
  190   HG12  VAL  26          HG12      VAL  26   8.548   5.907  -3.981
  191   HG13  VAL  26          HG13      VAL  26   8.277   7.490  -3.221
  192   HG21  VAL  26          HG21      VAL  26  12.219   6.287  -4.408
  193   HG22  VAL  26          HG22      VAL  26  10.821   5.239  -4.710
  194   HG23  VAL  26          HG23      VAL  26  11.014   6.749  -5.632
  195    H    ARG  27           H        ARG  27  12.303   7.576  -1.576
  196    HA   ARG  27           HA       ARG  27  14.845   8.251  -2.948
  197    HB2  ARG  27           HB2      ARG  27  15.749   9.205  -0.886
  198    HB3  ARG  27           HB3      ARG  27  14.342  10.126  -1.443
  199    HG2  ARG  27           HG2      ARG  27  12.907   8.935   0.198
  200    HG3  ARG  27           HG3      ARG  27  14.323   8.016   0.758
  201    HD2  ARG  27           HD2      ARG  27  15.453  10.142   1.360
  202    HD3  ARG  27           HD3      ARG  27  14.023  11.038   0.816
  203    HE   ARG  27           HE       ARG  27  13.912   9.032   3.042
  204   HH11  ARG  27          HH11      ARG  27  13.217  12.263   1.768
  205   HH12  ARG  27          HH12      ARG  27  12.287  12.738   3.170
  206   HH21  ARG  27          HH21      ARG  27  12.696   9.685   4.856
  207   HH22  ARG  27          HH22      ARG  27  12.008  11.290   4.918
  208    H    CYS  28           H        CYS  28  16.611   6.996  -2.373
  209    HA   CYS  28           HA       CYS  28  15.927   4.307  -1.475
  210    HB2  CYS  28           HB2      CYS  28  17.387   4.833  -3.435
  211    HB3  CYS  28           HB3      CYS  28  18.596   5.505  -2.317
  212    H    ALA  29           H        ALA  29  16.476   3.348   0.437
  213    HA   ALA  29           HA       ALA  29  17.524   5.028   2.582
  214    HB1  ALA  29           HB1      ALA  29  16.756   2.083   2.489
  215    HB2  ALA  29           HB2      ALA  29  17.115   3.023   3.956
  216    HB3  ALA  29           HB3      ALA  29  15.687   3.420   2.965
  217    H    SER  30           H        SER  30  18.946   3.200   0.084
  218    HA   SER  30           HA       SER  30  21.207   2.365   1.827
  219    HB2  SER  30           HB2      SER  30  20.080   1.205  -0.730
  220    HB3  SER  30           HB3      SER  30  21.643   0.716  -0.033
  221    HG   SER  30           HG       SER  30  19.893  -0.597   0.685
  222    H    CYS  31           H        CYS  31  20.388   4.478  -0.850
  223    HA   CYS  31           HA       CYS  31  23.229   5.243  -0.903
  224    HB2  CYS  31           HB2      CYS  31  23.528   5.043  -3.262
  225    HB3  CYS  31           HB3      CYS  31  22.947   3.475  -2.652
  226    H    GLY  32           H        GLY  32  19.997   6.165  -0.850
  227    HA2  GLY  32           HA2      GLY  32  19.205   8.311  -0.551
  228    HA3  GLY  32           HA3      GLY  32  20.815   8.951  -0.916
  229    H    ASN  33           H        ASN  33  19.993   6.831  -3.399
  230    HA   ASN  33           HA       ASN  33  19.663   8.862  -5.360
  231    HB2  ASN  33           HB2      ASN  33  20.484   6.493  -5.684
  232    HB3  ASN  33           HB3      ASN  33  18.822   5.934  -5.491
  233   HD21  ASN  33          HD22      ASN  33  18.768   5.075  -7.636
  234   HD22  ASN  33          HD21      ASN  33  18.670   6.125  -9.029
  235    H    ARG  34           H        ARG  34  17.757   9.382  -6.642
  236    HA   ARG  34           HA       ARG  34  15.177   8.780  -5.294
  237    HB2  ARG  34           HB2      ARG  34  16.125  11.538  -6.160
  238    HB3  ARG  34           HB3      ARG  34  14.515  11.144  -5.534
  239    HG2  ARG  34           HG2      ARG  34  15.553  10.351  -3.410
  240    HG3  ARG  34           HG3      ARG  34  17.148  10.827  -4.024
  241    HD2  ARG  34           HD2      ARG  34  14.775  12.693  -3.627
  242    HD3  ARG  34           HD3      ARG  34  16.155  12.547  -2.526
  243    HE   ARG  34           HE       ARG  34  16.058  13.980  -5.060
  244   HH11  ARG  34          HH11      ARG  34  18.192  12.301  -2.786
  245   HH12  ARG  34          HH12      ARG  34  19.610  13.187  -3.286
  246   HH21  ARG  34          HH21      ARG  34  17.940  15.117  -5.698
  247   HH22  ARG  34          HH22      ARG  34  19.472  14.764  -4.935
  248    H    TRP  35           H        TRP  35  13.373   8.746  -6.610
  249    HA   TRP  35           HA       TRP  35  13.508   9.525  -9.408
  250    HB2  TRP  35           HB2      TRP  35  13.123   7.308 -10.326
  251    HB3  TRP  35           HB3      TRP  35  14.671   7.348  -9.485
  252    HD1  TRP  35           HD1      TRP  35  11.236   5.767  -9.373
  253    HE1  TRP  35           HE1      TRP  35  11.160   3.877  -7.663
  254    HE3  TRP  35           HE3      TRP  35  15.809   6.477  -7.184
  255    HZ2  TRP  35           HZ2      TRP  35  12.859   2.810  -5.581
  256    HZ3  TRP  35           HZ3      TRP  35  16.543   5.001  -5.349
  257    HH2  TRP  35           HH2      TRP  35  15.086   3.171  -4.538
  258    H    THR  36           H        THR  36  11.372   9.230 -10.460
  259    HA   THR  36           HA       THR  36   9.253   9.613  -8.540
  260    HB   THR  36           HB       THR  36   8.727   9.305 -11.470
  261    HG1  THR  36           HG1      THR  36   9.404  11.452 -11.715
  262   HG21  THR  36          HG21      THR  36   7.127  11.119 -10.987
  263   HG22  THR  36          HG22      THR  36   6.851   9.719  -9.933
  264   HG23  THR  36          HG23      THR  36   7.679  11.155  -9.290
  265    H    ALA  37           H        ALA  37   7.566   8.362  -7.954
  266    HA   ALA  37           HA       ALA  37   7.485   5.598  -9.068
  267    HB1  ALA  37           HB1      ALA  37   8.348   5.685  -6.743
  268    HB2  ALA  37           HB2      ALA  37   6.867   6.538  -6.238
  269    HB3  ALA  37           HB3      ALA  37   6.771   4.867  -6.834
  270    H    PHE  38           H        PHE  38   5.293   4.571  -8.849
  271    HA   PHE  38           HA       PHE  38   3.066   6.416  -8.552
  272    HB2  PHE  38           HB2      PHE  38   2.110   5.646 -10.816
  273    HB3  PHE  38           HB3      PHE  38   3.322   6.933 -10.754
  274    HD1  PHE  38           HD2      PHE  38   2.726   3.406 -11.674
  275    HD2  PHE  38           HD1      PHE  38   5.550   6.655 -11.646
  276    HE1  PHE  38           HE2      PHE  38   4.180   2.157 -13.243
  277    HE2  PHE  38           HE1      PHE  38   7.009   5.396 -13.206
  278    HZ   PHE  38           HZ       PHE  38   6.316   3.157 -14.020
  279    H    LYS  39           H        LYS  39   1.022   5.497  -8.255
  280    HA   LYS  39           HA       LYS  39   1.168   2.947  -6.925
  281    HB2  LYS  39           HB2      LYS  39  -0.259   4.722  -6.109
  282    HB3  LYS  39           HB3      LYS  39  -1.175   4.762  -7.626
  283    HG2  LYS  39           HG2      LYS  39  -2.133   2.614  -7.251
  284    HG3  LYS  39           HG3      LYS  39  -0.979   2.234  -5.955
  285    HD2  LYS  39           HD2      LYS  39  -3.025   4.482  -5.795
  286    HD3  LYS  39           HD3      LYS  39  -3.282   2.848  -5.139
  287    HE2  LYS  39           HE2      LYS  39  -1.268   3.077  -3.732
  288    HE3  LYS  39           HE3      LYS  39  -1.009   4.717  -4.357
  289    HZ1  LYS  39           HZ1      LYS  39  -3.369   3.821  -2.848
  290    HZ2  LYS  39           HZ2      LYS  39  -2.133   4.729  -2.255
  291    HZ3  LYS  39           HZ3      LYS  39  -3.116   5.343  -3.421
  292    H    ASP  40           H        ASP  40   0.053   1.020  -7.406
  293    HA   ASP  40           HA       ASP  40  -1.018   0.650 -10.123
  294    HB2  ASP  40           HB2      ASP  40   1.493   0.378 -10.248
  295    HB3  ASP  40           HB3      ASP  40   1.361  -0.945  -9.082
  296    H    GLU  41           H        GLU  41  -1.577   0.436  -7.010
  297    HA   GLU  41           HA       GLU  41  -2.068  -2.358  -6.515
  298    HB2  GLU  41           HB2      GLU  41  -3.074   0.211  -5.224
  299    HB3  GLU  41           HB3      GLU  41  -3.418  -1.399  -4.587
  300    HG2  GLU  41           HG2      GLU  41  -0.613  -0.286  -5.037
  301    HG3  GLU  41           HG3      GLU  41  -1.466  -0.257  -3.485
  302    H    ALA  42           H        ALA  42  -3.820   0.117  -8.248
  303    HA   ALA  42           HA       ALA  42  -5.974  -1.759  -8.799
  304    HB1  ALA  42           HB1      ALA  42  -6.561   0.840  -7.320
  305    HB2  ALA  42           HB2      ALA  42  -7.766  -0.339  -7.907
  306    HB3  ALA  42           HB3      ALA  42  -6.644  -0.781  -6.603
  307    H    GLU  43           H        GLU  43  -3.825  -0.022 -10.105
  308    HA   GLU  43           HA       GLU  43  -5.298   1.943 -11.666
  309    HB2  GLU  43           HB2      GLU  43  -2.916   2.244 -11.077
  310    HB3  GLU  43           HB3      GLU  43  -2.503   0.754 -11.928
  311    HG2  GLU  43           HG2      GLU  43  -1.928   2.641 -13.321
  312    HG3  GLU  43           HG3      GLU  43  -3.259   1.763 -14.072
  313    H    LEU  44           H        LEU  44  -4.701  -1.476 -11.865
  314    HA   LEU  44           HA       LEU  44  -4.919  -1.763 -14.714
  315    HB2  LEU  44           HB2      LEU  44  -3.847  -3.447 -13.292
  316    HB3  LEU  44           HB3      LEU  44  -5.356  -3.694 -12.403
  317    HG   LEU  44           HG       LEU  44  -6.439  -4.517 -14.504
  318   HD11  LEU  44          HD11      LEU  44  -3.603  -4.293 -15.618
  319   HD12  LEU  44          HD12      LEU  44  -4.974  -5.091 -16.424
  320   HD13  LEU  44          HD13      LEU  44  -5.003  -3.340 -16.158
  321   HD21  LEU  44          HD21      LEU  44  -5.418  -6.082 -12.895
  322   HD22  LEU  44          HD22      LEU  44  -5.246  -6.665 -14.566
  323   HD23  LEU  44          HD23      LEU  44  -3.855  -5.935 -13.734
  324    H    GLU  45           H        GLU  45  -6.705  -2.419 -15.971
  325    HA   GLU  45           HA       GLU  45  -9.344  -2.636 -14.730
  326    HB2  GLU  45           HB2      GLU  45  -9.128  -0.206 -14.953
  327    HB3  GLU  45           HB3      GLU  45  -8.586  -0.377 -16.625
  328    HG2  GLU  45           HG2      GLU  45 -10.908   0.322 -16.608
  329    HG3  GLU  45           HG3      GLU  45 -10.804  -1.320 -17.241
  330    H    LEU  46           H        LEU  46 -10.879  -3.638 -16.123
  331    HA   LEU  46           HA       LEU  46  -9.698  -5.462 -18.001
  332    HB2  LEU  46           HB2      LEU  46 -12.527  -4.792 -17.135
  333    HB3  LEU  46           HB3      LEU  46 -12.209  -5.913 -18.467
  334    HG   LEU  46           HG       LEU  46 -10.766  -7.284 -16.942
  335   HD11  LEU  46          HD11      LEU  46 -11.892  -5.393 -14.827
  336   HD12  LEU  46          HD12      LEU  46 -11.121  -6.949 -14.468
  337   HD13  LEU  46          HD13      LEU  46 -10.171  -5.656 -15.218
  338   HD21  LEU  46          HD21      LEU  46 -13.126  -7.849 -17.391
  339   HD22  LEU  46          HD22      LEU  46 -12.676  -8.283 -15.728
  340   HD23  LEU  46          HD23      LEU  46 -13.634  -6.818 -16.034
  341    H    VAL  47           H        VAL  47 -10.178  -5.697 -20.245
  342    HA   VAL  47           HA       VAL  47 -10.014  -3.230 -21.687
  343    HB   VAL  47           HB       VAL  47  -9.873  -4.593 -23.667
  344   HG11  VAL  47          HG11      VAL  47  -8.072  -6.131 -23.056
  345   HG12  VAL  47          HG12      VAL  47  -7.924  -4.626 -22.121
  346   HG13  VAL  47          HG13      VAL  47  -8.572  -6.095 -21.352
  347   HG21  VAL  47          HG21      VAL  47 -11.775  -6.111 -23.254
  348   HG22  VAL  47          HG22      VAL  47 -10.302  -7.033 -23.611
  349   HG23  VAL  47          HG23      VAL  47 -10.877  -6.894 -21.936
  350    HA   PRO  48           HA       PRO  48 -14.156  -2.127 -22.579
  351    HB2  PRO  48           HB2      PRO  48 -13.470  -2.068 -25.491
  352    HB3  PRO  48           HB3      PRO  48 -14.175  -0.779 -24.461
  353    HG2  PRO  48           HG2      PRO  48 -11.553  -0.715 -25.237
  354    HG3  PRO  48           HG3      PRO  48 -12.060  -0.188 -23.594
  355    HD2  PRO  48           HD2      PRO  48 -10.816  -2.799 -24.443
  356    HD3  PRO  48           HD3      PRO  48 -10.512  -1.814 -22.974
  357    H    ARG  49           H        ARG  49 -16.160  -2.874 -23.513
  358    HA   ARG  49           HA       ARG  49 -16.156  -5.308 -25.142
  359    HB2  ARG  49           HB2      ARG  49 -15.812  -6.223 -22.893
  360    HB3  ARG  49           HB3      ARG  49 -17.188  -5.279 -22.277
  361    HG2  ARG  49           HG2      ARG  49 -18.727  -6.516 -23.753
  362    HG3  ARG  49           HG3      ARG  49 -17.360  -7.410 -24.453
  363    HD2  ARG  49           HD2      ARG  49 -16.833  -8.343 -22.217
  364    HD3  ARG  49           HD3      ARG  49 -18.193  -7.447 -21.522
  365    HE   ARG  49           HE       ARG  49 -19.713  -8.934 -22.509
  366   HH11  ARG  49          HH11      ARG  49 -16.400  -9.649 -23.526
  367   HH12  ARG  49          HH12      ARG  49 -16.823 -11.199 -24.216
  368   HH21  ARG  49          HH21      ARG  49 -20.236 -10.956 -23.419
  369   HH22  ARG  49          HH22      ARG  49 -18.991 -11.937 -24.154
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   3.410  -0.840   0.310
    2    H2   MET   1           H2       MET   1   3.166  -2.275  -0.466
    3    H3   MET   1           H3       MET   1   2.058  -1.077  -0.609
    4    HA   MET   1           HA       MET   1   3.358  -1.235  -2.598
    5    HB2  MET   1           HB2      MET   1   2.477   0.974  -1.811
    6    HB3  MET   1           HB3      MET   1   4.035   1.259  -1.001
    7    HG2  MET   1           HG2      MET   1   4.053   2.392  -3.108
    8    HG3  MET   1           HG3      MET   1   5.181   1.032  -3.205
    9    HE1  MET   1           HE1      MET   1   3.598   1.660  -6.807
   10    HE2  MET   1           HE2      MET   1   3.693   2.904  -5.533
   11    HE3  MET   1           HE3      MET   1   5.061   1.797  -5.808
   12    H    ILE   2           H        ILE   2   5.358  -1.504  -3.592
   13    HA   ILE   2           HA       ILE   2   7.762  -1.212  -1.896
   14    HB   ILE   2           HB       ILE   2   6.754  -3.643  -2.030
   15   HG12  ILE   2          HG12      ILE   2   9.700  -3.309  -2.652
   16   HG13  ILE   2          HG13      ILE   2   8.985  -2.774  -1.114
   17   HG21  ILE   2          HG21      ILE   2   8.416  -3.556  -4.589
   18   HG22  ILE   2          HG22      ILE   2   7.618  -4.976  -3.890
   19   HG23  ILE   2          HG23      ILE   2   6.639  -3.645  -4.548
   20   HD11  ILE   2          HD11      ILE   2   9.894  -5.034  -0.883
   21   HD12  ILE   2          HD12      ILE   2   8.133  -5.031  -0.674
   22   HD13  ILE   2          HD13      ILE   2   8.842  -5.609  -2.204
   23    H    LEU   3           H        LEU   3   9.642  -0.699  -3.048
   24    HA   LEU   3           HA       LEU   3   9.296  -0.177  -5.960
   25    HB2  LEU   3           HB2      LEU   3  10.315   1.726  -3.817
   26    HB3  LEU   3           HB3      LEU   3  10.462   2.015  -5.556
   27    HG   LEU   3           HG       LEU   3   7.779   1.580  -4.155
   28   HD11  LEU   3          HD11      LEU   3   7.508   4.008  -4.323
   29   HD12  LEU   3          HD12      LEU   3   8.928   3.615  -3.327
   30   HD13  LEU   3          HD13      LEU   3   9.144   4.160  -5.008
   31   HD21  LEU   3          HD21      LEU   3   7.740   1.098  -6.568
   32   HD22  LEU   3          HD22      LEU   3   6.937   2.654  -6.256
   33   HD23  LEU   3          HD23      LEU   3   8.592   2.628  -6.903
   34    H    THR   4           H        THR   4  11.200  -0.247  -7.200
   35    HA   THR   4           HA       THR   4  13.489  -1.502  -5.804
   36    HB   THR   4           HB       THR   4  13.139  -1.508  -8.778
   37    HG1  THR   4           HG1      THR   4  12.001  -3.431  -8.510
   38   HG21  THR   4          HG21      THR   4  14.408  -3.608  -8.559
   39   HG22  THR   4          HG22      THR   4  15.289  -2.267  -7.798
   40   HG23  THR   4          HG23      THR   4  14.403  -3.447  -6.792
   41    H    CYS   5           H        CYS   5  15.494  -0.652  -5.745
   42    HA   CYS   5           HA       CYS   5  15.788   2.120  -6.534
   43    HB2  CYS   5           HB2      CYS   5  16.780   1.246  -4.477
   44    HB3  CYS   5           HB3      CYS   5  17.760   0.100  -5.424
   45    HA   PRO   6           HA       PRO   6  17.445   1.264 -10.623
   46    HB2  PRO   6           HB2      PRO   6  18.657   3.972 -10.320
   47    HB3  PRO   6           HB3      PRO   6  17.580   3.357 -11.612
   48    HG2  PRO   6           HG2      PRO   6  16.677   5.099  -9.708
   49    HG3  PRO   6           HG3      PRO   6  15.649   3.761 -10.333
   50    HD2  PRO   6           HD2      PRO   6  17.206   3.882  -7.753
   51    HD3  PRO   6           HD3      PRO   6  15.559   3.256  -8.066
   52    H    GLU   7           H        GLU   7  19.232   2.050  -7.742
   53    HA   GLU   7           HA       GLU   7  21.815   1.451  -9.121
   54    HB2  GLU   7           HB2      GLU   7  21.282   3.027  -6.571
   55    HB3  GLU   7           HB3      GLU   7  22.872   2.757  -7.302
   56    HG2  GLU   7           HG2      GLU   7  20.548   4.205  -8.645
   57    HG3  GLU   7           HG3      GLU   7  21.902   4.999  -7.838
   58    H    CYS   8           H        CYS   8  19.923   0.848  -6.099
   59    HA   CYS   8           HA       CYS   8  21.898  -1.112  -5.204
   60    HB2  CYS   8           HB2      CYS   8  19.090  -0.507  -4.166
   61    HB3  CYS   8           HB3      CYS   8  20.287  -1.555  -3.393
   62    H    ALA   9           H        ALA   9  19.212  -1.066  -7.351
   63    HA   ALA   9           HA       ALA   9  18.031  -2.662  -8.444
   64    HB1  ALA   9           HB1      ALA   9  19.319  -4.585  -9.252
   65    HB2  ALA   9           HB2      ALA   9  20.306  -3.106  -9.314
   66    HB3  ALA   9           HB3      ALA   9  20.570  -4.287  -8.015
   67    H    SER  10           H        SER  10  17.455  -2.463  -5.702
   68    HA   SER  10           HA       SER  10  16.612  -5.238  -5.086
   69    HB2  SER  10           HB2      SER  10  18.762  -4.731  -3.914
   70    HB3  SER  10           HB3      SER  10  17.955  -3.371  -3.104
   71    HG   SER  10           HG       SER  10  17.905  -5.302  -1.850
   72    H    ARG  11           H        ARG  11  14.833  -5.317  -3.543
   73    HA   ARG  11           HA       ARG  11  12.985  -3.102  -4.073
   74    HB2  ARG  11           HB2      ARG  11  12.633  -5.827  -2.777
   75    HB3  ARG  11           HB3      ARG  11  11.322  -4.656  -3.040
   76    HG2  ARG  11           HG2      ARG  11  11.874  -4.661  -5.491
   77    HG3  ARG  11           HG3      ARG  11  13.040  -5.970  -5.189
   78    HD2  ARG  11           HD2      ARG  11  10.066  -6.058  -4.540
   79    HD3  ARG  11           HD3      ARG  11  10.816  -6.806  -5.957
   80    HE   ARG  11           HE       ARG  11  10.941  -7.739  -3.171
   81   HH11  ARG  11          HH11      ARG  11  12.248  -7.992  -6.444
   82   HH12  ARG  11          HH12      ARG  11  12.933  -9.579  -6.180
   83   HH21  ARG  11          HH21      ARG  11  11.826  -9.823  -2.854
   84   HH22  ARG  11          HH22      ARG  11  12.696 -10.616  -4.146
   85    H    TYR  12           H        TYR  12  11.803  -1.980  -2.513
   86    HA   TYR  12           HA       TYR  12  12.447  -2.323   0.304
   87    HB2  TYR  12           HB2      TYR  12  14.247  -0.895  -0.200
   88    HB3  TYR  12           HB3      TYR  12  13.263   0.122  -1.249
   89    HD1  TYR  12           HD1      TYR  12  14.070  -0.707   2.248
   90    HD2  TYR  12           HD2      TYR  12  11.806   1.845  -0.367
   91    HE1  TYR  12           HE1      TYR  12  13.640   0.853   4.144
   92    HE2  TYR  12           HE2      TYR  12  11.391   3.417   1.513
   93    HH   TYR  12           HH       TYR  12  11.750   3.859   3.732
   94    H    PHE  13           H        PHE  13  10.783  -1.776   1.655
   95    HA   PHE  13           HA       PHE  13   8.344  -1.123   0.158
   96    HB2  PHE  13           HB2      PHE  13   7.219  -2.080   2.253
   97    HB3  PHE  13           HB3      PHE  13   8.023  -3.152   1.112
   98    HD1  PHE  13           HD1      PHE  13   8.366  -1.527   4.434
   99    HD2  PHE  13           HD2      PHE  13   9.905  -4.478   1.716
  100    HE1  PHE  13           HE1      PHE  13   9.782  -2.458   6.248
  101    HE2  PHE  13           HE2      PHE  13  11.328  -5.406   3.531
  102    HZ   PHE  13           HZ       PHE  13  11.262  -4.399   5.795
  103    H    VAL  14           H        VAL  14   6.680   0.173   0.815
  104    HA   VAL  14           HA       VAL  14   7.192   2.107   2.978
  105    HB   VAL  14           HB       VAL  14   6.753   4.013   1.526
  106   HG11  VAL  14          HG11      VAL  14   8.991   2.320   0.342
  107   HG12  VAL  14          HG12      VAL  14   8.853   4.087   0.306
  108   HG13  VAL  14          HG13      VAL  14   9.110   3.258   1.856
  109   HG21  VAL  14          HG21      VAL  14   5.366   2.908  -0.188
  110   HG22  VAL  14          HG22      VAL  14   6.721   3.774  -0.933
  111   HG23  VAL  14          HG23      VAL  14   6.789   2.004  -0.766
  112    H    ASP  15           H        ASP  15   5.180   3.438   3.392
  113    HA   ASP  15           HA       ASP  15   2.859   1.779   3.429
  114    HB2  ASP  15           HB2      ASP  15   3.352   3.532   5.100
  115    HB3  ASP  15           HB3      ASP  15   3.153   4.776   3.858
  116    H    ASP  16           H        ASP  16   0.838   2.101   2.297
  117    HA   ASP  16           HA       ASP  16   1.245   2.415  -0.534
  118    HB2  ASP  16           HB2      ASP  16  -0.387   0.877   0.644
  119    HB3  ASP  16           HB3      ASP  16  -1.353   2.310   1.056
  120    H    SER  17           H        SER  17   0.670   4.693   1.976
  121    HA   SER  17           HA       SER  17  -0.829   6.583   0.322
  122    HB2  SER  17           HB2      SER  17  -1.192   6.382   2.764
  123    HB3  SER  17           HB3      SER  17   0.488   6.879   3.051
  124    HG   SER  17           HG       SER  17   0.025   8.853   2.092
  125    H    LYS  18           H        LYS  18   2.467   5.683   0.622
  126    HA   LYS  18           HA       LYS  18   3.591   8.345   0.279
  127    HB2  LYS  18           HB2      LYS  18   4.839   5.585  -0.014
  128    HB3  LYS  18           HB3      LYS  18   5.725   7.115   0.033
  129    HG2  LYS  18           HG2      LYS  18   3.981   6.013   2.275
  130    HG3  LYS  18           HG3      LYS  18   5.756   5.994   2.228
  131    HD2  LYS  18           HD2      LYS  18   5.745   8.497   2.110
  132    HD3  LYS  18           HD3      LYS  18   3.973   8.462   2.302
  133    HE2  LYS  18           HE2      LYS  18   4.236   7.258   4.450
  134    HE3  LYS  18           HE3      LYS  18   5.998   7.309   4.256
  135    HZ1  LYS  18           HZ1      LYS  18   4.233   9.665   4.469
  136    HZ2  LYS  18           HZ2      LYS  18   5.195   9.081   5.667
  137    HZ3  LYS  18           HZ3      LYS  18   5.866   9.707   4.303
  138    H    VAL  19           H        VAL  19   1.979   6.238  -1.818
  139    HA   VAL  19           HA       VAL  19   3.114   7.662  -4.151
  140    HB   VAL  19           HB       VAL  19   2.668   4.664  -4.164
  141   HG11  VAL  19          HG11      VAL  19   3.950   6.640  -6.104
  142   HG12  VAL  19          HG12      VAL  19   3.958   4.875  -6.304
  143   HG13  VAL  19          HG13      VAL  19   2.419   5.761  -6.344
  144   HG21  VAL  19          HG21      VAL  19   4.575   5.144  -2.707
  145   HG22  VAL  19          HG22      VAL  19   5.150   4.495  -4.251
  146   HG23  VAL  19          HG23      VAL  19   5.266   6.241  -3.933
  147    H    GLY  20           H        GLY  20   1.642   8.088  -5.788
  148    HA2  GLY  20           HA2      GLY  20  -1.144   7.082  -5.371
  149    HA3  GLY  20           HA3      GLY  20  -0.804   8.777  -5.740
  150    HA   PRO  21           HA       PRO  21  -1.349   6.295  -9.682
  151    HB2  PRO  21           HB2      PRO  21  -3.608   7.555 -10.612
  152    HB3  PRO  21           HB3      PRO  21  -3.663   6.152  -9.497
  153    HG2  PRO  21           HG2      PRO  21  -3.943   9.089  -8.842
  154    HG3  PRO  21           HG3      PRO  21  -4.876   7.697  -8.200
  155    HD2  PRO  21           HD2      PRO  21  -2.766   8.874  -6.865
  156    HD3  PRO  21           HD3      PRO  21  -3.188   7.143  -6.678
  157    H    ASP  22           H        ASP  22  -1.424   9.714  -8.763
  158    HA   ASP  22           HA       ASP  22  -0.619  10.648 -11.403
  159    HB2  ASP  22           HB2      ASP  22  -0.845  11.984  -8.692
  160    HB3  ASP  22           HB3      ASP  22  -0.347  12.820 -10.174
  161    H    GLY  23           H        GLY  23   0.964   8.937  -9.038
  162    HA2  GLY  23           HA2      GLY  23   3.193   8.370  -8.924
  163    HA3  GLY  23           HA3      GLY  23   3.593   9.643 -10.087
  164    H    ARG  24           H        ARG  24   5.135   9.117  -7.795
  165    HA   ARG  24           HA       ARG  24   5.150  11.754  -6.562
  166    HB2  ARG  24           HB2      ARG  24   3.519  10.499  -5.136
  167    HB3  ARG  24           HB3      ARG  24   4.753   9.249  -4.879
  168    HG2  ARG  24           HG2      ARG  24   4.646  10.754  -2.957
  169    HG3  ARG  24           HG3      ARG  24   6.211  10.908  -3.768
  170    HD2  ARG  24           HD2      ARG  24   5.425  12.952  -4.922
  171    HD3  ARG  24           HD3      ARG  24   3.836  12.773  -4.158
  172    HE   ARG  24           HE       ARG  24   6.308  13.075  -2.503
  173   HH11  ARG  24          HH11      ARG  24   3.123  14.247  -3.501
  174   HH12  ARG  24          HH12      ARG  24   3.047  15.461  -2.243
  175   HH21  ARG  24          HH21      ARG  24   6.182  14.657  -0.872
  176   HH22  ARG  24          HH22      ARG  24   4.771  15.680  -0.746
  177    H    VAL  25           H        VAL  25   7.219  12.252  -5.754
  178    HA   VAL  25           HA       VAL  25   9.339  10.522  -6.717
  179    HB   VAL  25           HB       VAL  25   9.351  13.020  -6.861
  180   HG11  VAL  25          HG11      VAL  25  10.026  14.301  -4.885
  181   HG12  VAL  25          HG12      VAL  25   8.486  13.465  -4.574
  182   HG13  VAL  25          HG13      VAL  25   9.999  12.823  -3.888
  183   HG21  VAL  25          HG21      VAL  25  11.405  11.664  -7.114
  184   HG22  VAL  25          HG22      VAL  25  11.738  13.237  -6.362
  185   HG23  VAL  25          HG23      VAL  25  11.686  11.763  -5.358
  186    H    VAL  26           H        VAL  26  10.959   9.487  -5.534
  187    HA   VAL  26           HA       VAL  26  10.535   9.228  -2.615
  188    HB   VAL  26           HB       VAL  26  10.603   6.845  -2.669
  189   HG11  VAL  26          HG11      VAL  26   8.711   7.734  -4.881
  190   HG12  VAL  26          HG12      VAL  26   8.568   6.271  -3.889
  191   HG13  VAL  26          HG13      VAL  26   8.386   7.875  -3.139
  192   HG21  VAL  26          HG21      VAL  26  12.233   6.587  -4.530
  193   HG22  VAL  26          HG22      VAL  26  10.808   5.554  -4.756
  194   HG23  VAL  26          HG23      VAL  26  10.970   7.061  -5.686
  195    H    ARG  27           H        ARG  27  12.430   8.036  -1.565
  196    HA   ARG  27           HA       ARG  27  14.942   8.478  -3.078
  197    HB2  ARG  27           HB2      ARG  27  14.469  10.525  -1.764
  198    HB3  ARG  27           HB3      ARG  27  14.405   9.549  -0.283
  199    HG2  ARG  27           HG2      ARG  27  16.758   8.875  -0.600
  200    HG3  ARG  27           HG3      ARG  27  16.813   9.750  -2.150
  201    HD2  ARG  27           HD2      ARG  27  16.288  11.863  -0.920
  202    HD3  ARG  27           HD3      ARG  27  16.351  10.960   0.601
  203    HE   ARG  27           HE       ARG  27  18.692  11.137  -1.268
  204   HH11  ARG  27          HH11      ARG  27  17.315  11.354   1.978
  205   HH12  ARG  27          HH12      ARG  27  18.860  11.633   2.747
  206   HH21  ARG  27          HH21      ARG  27  20.697  11.515  -0.247
  207   HH22  ARG  27          HH22      ARG  27  20.775  11.712   1.487
  208    H    CYS  28           H        CYS  28  16.626   7.159  -2.536
  209    HA   CYS  28           HA       CYS  28  15.862   4.606  -1.427
  210    HB2  CYS  28           HB2      CYS  28  17.366   4.990  -3.404
  211    HB3  CYS  28           HB3      CYS  28  18.599   5.628  -2.295
  212    H    ALA  29           H        ALA  29  16.330   3.724   0.532
  213    HA   ALA  29           HA       ALA  29  17.522   5.406   2.601
  214    HB1  ALA  29           HB1      ALA  29  16.545   2.520   2.615
  215    HB2  ALA  29           HB2      ALA  29  16.985   3.472   4.049
  216    HB3  ALA  29           HB3      ALA  29  15.579   3.944   3.053
  217    H    SER  30           H        SER  30  18.787   3.369   0.164
  218    HA   SER  30           HA       SER  30  20.996   2.433   1.925
  219    HB2  SER  30           HB2      SER  30  19.764   1.282  -0.595
  220    HB3  SER  30           HB3      SER  30  21.271   0.677   0.127
  221    HG   SER  30           HG       SER  30  20.147   0.196   2.001
  222    H    CYS  31           H        CYS  31  20.312   4.471  -0.852
  223    HA   CYS  31           HA       CYS  31  23.197   5.041  -0.919
  224    HB2  CYS  31           HB2      CYS  31  23.484   4.761  -3.268
  225    HB3  CYS  31           HB3      CYS  31  22.799   3.261  -2.619
  226    H    GLY  32           H        GLY  32  20.049   6.191  -0.853
  227    HA2  GLY  32           HA2      GLY  32  19.408   8.386  -0.583
  228    HA3  GLY  32           HA3      GLY  32  21.057   8.908  -0.970
  229    H    ASN  33           H        ASN  33  20.014   6.824  -3.416
  230    HA   ASN  33           HA       ASN  33  19.875   8.834  -5.401
  231    HB2  ASN  33           HB2      ASN  33  20.435   6.400  -5.715
  232    HB3  ASN  33           HB3      ASN  33  18.728   6.015  -5.442
  233   HD21  ASN  33          HD22      ASN  33  18.458   5.136  -7.529
  234   HD22  ASN  33          HD21      ASN  33  18.423   6.142  -8.964
  235    H    ARG  34           H        ARG  34  18.035   9.537  -6.674
  236    HA   ARG  34           HA       ARG  34  15.402   9.322  -5.301
  237    HB2  ARG  34           HB2      ARG  34  16.426  11.355  -4.457
  238    HB3  ARG  34           HB3      ARG  34  16.843  11.873  -6.107
  239    HG2  ARG  34           HG2      ARG  34  14.441  12.025  -6.677
  240    HG3  ARG  34           HG3      ARG  34  14.015  11.460  -5.048
  241    HD2  ARG  34           HD2      ARG  34  13.821  13.884  -5.144
  242    HD3  ARG  34           HD3      ARG  34  15.156  13.431  -4.074
  243    HE   ARG  34           HE       ARG  34  15.501  14.366  -6.903
  244   HH11  ARG  34          HH11      ARG  34  16.596  14.242  -3.540
  245   HH12  ARG  34          HH12      ARG  34  17.990  15.253  -3.838
  246   HH21  ARG  34          HH21      ARG  34  17.324  15.670  -7.262
  247   HH22  ARG  34          HH22      ARG  34  18.399  16.065  -5.942
  248    H    TRP  35           H        TRP  35  13.686   9.168  -6.641
  249    HA   TRP  35           HA       TRP  35  13.777  10.048  -9.414
  250    HB2  TRP  35           HB2      TRP  35  13.582   7.880 -10.432
  251    HB3  TRP  35           HB3      TRP  35  15.054   7.875  -9.466
  252    HD1  TRP  35           HD1      TRP  35  11.766   6.138  -9.890
  253    HE1  TRP  35           HE1      TRP  35  11.510   4.207  -8.258
  254    HE3  TRP  35           HE3      TRP  35  15.809   7.080  -6.894
  255    HZ2  TRP  35           HZ2      TRP  35  12.839   3.221  -5.891
  256    HZ3  TRP  35           HZ3      TRP  35  16.269   5.633  -4.949
  257    HH2  TRP  35           HH2      TRP  35  14.803   3.701  -4.433
  258    H    THR  36           H        THR  36  11.651   9.635 -10.484
  259    HA   THR  36           HA       THR  36   9.510   9.836  -8.544
  260    HB   THR  36           HB       THR  36   9.054   9.669 -11.500
  261    HG1  THR  36           HG1      THR  36   9.561  11.864 -11.594
  262   HG21  THR  36          HG21      THR  36   7.825  11.282  -9.221
  263   HG22  THR  36          HG22      THR  36   7.309  11.338 -10.924
  264   HG23  THR  36          HG23      THR  36   7.114   9.841  -9.983
  265    H    ALA  37           H        ALA  37   7.867   8.472  -8.074
  266    HA   ALA  37           HA       ALA  37   7.990   5.748  -9.289
  267    HB1  ALA  37           HB1      ALA  37   7.256   6.551  -6.448
  268    HB2  ALA  37           HB2      ALA  37   7.281   4.897  -7.101
  269    HB3  ALA  37           HB3      ALA  37   8.797   5.816  -6.950
  270    H    PHE  38           H        PHE  38   5.878   4.584  -9.168
  271    HA   PHE  38           HA       PHE  38   3.523   6.274  -8.910
  272    HB2  PHE  38           HB2      PHE  38   2.705   5.448 -11.215
  273    HB3  PHE  38           HB3      PHE  38   3.781   6.840 -11.093
  274    HD1  PHE  38           HD1      PHE  38   3.551   3.297 -12.112
  275    HD2  PHE  38           HD2      PHE  38   6.078   6.777 -11.877
  276    HE1  PHE  38           HE1      PHE  38   5.173   2.231 -13.655
  277    HE2  PHE  38           HE2      PHE  38   7.689   5.709 -13.418
  278    HZ   PHE  38           HZ       PHE  38   7.239   3.435 -14.313
  279    H    LYS  39           H        LYS  39   1.516   5.218  -8.726
  280    HA   LYS  39           HA       LYS  39   1.838   2.731  -7.301
  281    HB2  LYS  39           HB2      LYS  39   0.302   4.447  -6.553
  282    HB3  LYS  39           HB3      LYS  39  -0.625   4.336  -8.062
  283    HG2  LYS  39           HG2      LYS  39  -1.434   2.162  -7.554
  284    HG3  LYS  39           HG3      LYS  39  -0.194   1.894  -6.312
  285    HD2  LYS  39           HD2      LYS  39  -2.414   3.967  -6.088
  286    HD3  LYS  39           HD3      LYS  39  -2.462   2.344  -5.364
  287    HE2  LYS  39           HE2      LYS  39  -0.364   2.841  -4.121
  288    HE3  LYS  39           HE3      LYS  39  -0.366   4.479  -4.797
  289    HZ1  LYS  39           HZ1      LYS  39  -1.319   4.434  -2.617
  290    HZ2  LYS  39           HZ2      LYS  39  -2.479   4.841  -3.713
  291    HZ3  LYS  39           HZ3      LYS  39  -2.442   3.325  -3.063
  292    H    ASP  40           H        ASP  40   0.997   0.719  -7.724
  293    HA   ASP  40           HA       ASP  40  -0.278   0.132 -10.303
  294    HB2  ASP  40           HB2      ASP  40   2.222   0.219 -10.724
  295    HB3  ASP  40           HB3      ASP  40   2.417  -1.078  -9.538
  296    H    GLU  41           H        GLU  41   0.384  -0.420  -6.980
  297    HA   GLU  41           HA       GLU  41  -0.260  -3.217  -6.819
  298    HB2  GLU  41           HB2      GLU  41   1.045  -2.009  -5.128
  299    HB3  GLU  41           HB3      GLU  41  -0.338  -0.948  -4.786
  300    HG2  GLU  41           HG2      GLU  41  -1.648  -2.803  -3.955
  301    HG3  GLU  41           HG3      GLU  41  -0.408  -3.966  -4.475
  302    H    ALA  42           H        ALA  42  -2.123  -0.315  -7.272
  303    HA   ALA  42           HA       ALA  42  -4.621  -1.825  -7.254
  304    HB1  ALA  42           HB1      ALA  42  -5.708  -0.318  -5.615
  305    HB2  ALA  42           HB2      ALA  42  -4.365  -1.222  -4.870
  306    HB3  ALA  42           HB3      ALA  42  -4.148   0.485  -5.325
  307    H    GLU  43           H        GLU  43  -6.451  -0.405  -8.000
  308    HA   GLU  43           HA       GLU  43  -5.632   2.076  -9.358
  309    HB2  GLU  43           HB2      GLU  43  -5.032   0.339 -10.954
  310    HB3  GLU  43           HB3      GLU  43  -6.648  -0.385 -10.835
  311    HG2  GLU  43           HG2      GLU  43  -7.683   1.548 -11.855
  312    HG3  GLU  43           HG3      GLU  43  -6.172   2.474 -11.750
  313    H    LEU  44           H        LEU  44  -7.972   0.026  -7.875
  314    HA   LEU  44           HA       LEU  44 -10.174   0.219  -7.414
  315    HB2  LEU  44           HB2      LEU  44  -9.180   2.114  -6.139
  316    HB3  LEU  44           HB3      LEU  44  -9.529   3.188  -7.494
  317    HG   LEU  44           HG       LEU  44 -11.983   2.666  -7.234
  318   HD11  LEU  44          HD11      LEU  44 -12.696   1.561  -5.128
  319   HD12  LEU  44          HD12      LEU  44 -11.800   0.445  -6.177
  320   HD13  LEU  44          HD13      LEU  44 -10.995   1.181  -4.765
  321   HD21  LEU  44          HD21      LEU  44 -12.275   3.950  -5.158
  322   HD22  LEU  44          HD22      LEU  44 -10.570   3.653  -4.727
  323   HD23  LEU  44          HD23      LEU  44 -10.971   4.644  -6.145
  324    H    GLU  45           H        GLU  45 -10.422  -0.652  -9.707
  325    HA   GLU  45           HA       GLU  45 -11.349   1.145 -11.760
  326    HB2  GLU  45           HB2      GLU  45 -11.664  -1.869 -11.422
  327    HB3  GLU  45           HB3      GLU  45 -11.980  -0.954 -12.912
  328    HG2  GLU  45           HG2      GLU  45  -9.607  -0.166 -12.897
  329    HG3  GLU  45           HG3      GLU  45  -9.299  -1.181 -11.480
  330    H    LEU  46           H        LEU  46 -12.797   0.195  -8.874
  331    HA   LEU  46           HA       LEU  46 -15.506  -0.241  -9.756
  332    HB2  LEU  46           HB2      LEU  46 -14.228   0.530  -7.107
  333    HB3  LEU  46           HB3      LEU  46 -15.978   0.378  -7.298
  334    HG   LEU  46           HG       LEU  46 -15.033  -1.650  -6.342
  335   HD11  LEU  46          HD11      LEU  46 -15.942  -2.162  -9.201
  336   HD12  LEU  46          HD12      LEU  46 -16.060  -3.273  -7.823
  337   HD13  LEU  46          HD13      LEU  46 -17.024  -1.777  -7.842
  338   HD21  LEU  46          HD21      LEU  46 -13.522  -3.107  -7.531
  339   HD22  LEU  46          HD22      LEU  46 -13.526  -2.044  -8.955
  340   HD23  LEU  46          HD23      LEU  46 -12.778  -1.501  -7.430
  341    H    VAL  47           H        VAL  47 -17.320   1.215  -9.451
  342    HA   VAL  47           HA       VAL  47 -16.802   3.855 -10.434
  343    HB   VAL  47           HB       VAL  47 -19.203   4.166 -10.294
  344   HG11  VAL  47          HG11      VAL  47 -18.574   1.274 -11.043
  345   HG12  VAL  47          HG12      VAL  47 -19.961   2.237 -11.593
  346   HG13  VAL  47          HG13      VAL  47 -18.314   2.691 -12.086
  347   HG21  VAL  47          HG21      VAL  47 -19.602   3.237  -8.042
  348   HG22  VAL  47          HG22      VAL  47 -20.673   2.493  -9.241
  349   HG23  VAL  47          HG23      VAL  47 -19.254   1.600  -8.654
  350    HA   PRO  48           HA       PRO  48 -16.219   6.035  -6.658
  351    HB2  PRO  48           HB2      PRO  48 -16.987   8.567  -7.359
  352    HB3  PRO  48           HB3      PRO  48 -15.505   7.791  -8.004
  353    HG2  PRO  48           HG2      PRO  48 -18.227   8.034  -9.310
  354    HG3  PRO  48           HG3      PRO  48 -16.616   8.302 -10.046
  355    HD2  PRO  48           HD2      PRO  48 -18.028   5.956 -10.312
  356    HD3  PRO  48           HD3      PRO  48 -16.240   6.003 -10.285
  357    H    ARG  49           H        ARG  49 -19.322   5.503  -8.012
  358    HA   ARG  49           HA       ARG  49 -20.935   7.098  -6.258
  359    HB2  ARG  49           HB2      ARG  49 -21.589   4.541  -7.781
  360    HB3  ARG  49           HB3      ARG  49 -22.770   5.642  -7.040
  361    HG2  ARG  49           HG2      ARG  49 -21.976   7.482  -8.503
  362    HG3  ARG  49           HG3      ARG  49 -20.802   6.378  -9.252
  363    HD2  ARG  49           HD2      ARG  49 -22.773   6.541 -10.675
  364    HD3  ARG  49           HD3      ARG  49 -22.670   4.911  -9.987
  365    HE   ARG  49           HE       ARG  49 -24.581   5.310  -8.699
  366   HH11  ARG  49          HH11      ARG  49 -23.558   8.248 -10.378
  367   HH12  ARG  49          HH12      ARG  49 -25.049   9.098 -10.047
  368   HH21  ARG  49          HH21      ARG  49 -26.522   6.435  -8.299
  369   HH22  ARG  49          HH22      ARG  49 -26.725   8.074  -8.875