*HEADER    RNA BINDING PROTEIN                     15-JUN-11   2LEA              
*TITLE     SOLUTION STRUCTURE OF HUMAN SRSF2 (SC35) RRM                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERINE/ARGININE-RICH SPLICING FACTOR 2;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RRM DOMAIN RESIDUES 1-101;                                 
*COMPND   5 SYNONYM: PROTEIN PR264, SPLICING COMPONENT, 35 KDA, SPLICING FACTOR  
*COMPND   6 SC35, SC-35, SPLICING FACTOR, ARGININE/SERINE-RICH 2;                
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SFRS2, SRSF2;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    SR PROTEIN, SPLICING FACTOR, RNA BINDING PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.M.DAUBNER, A.CLERY, S.JAYNE, J.STEVENIN, F.H.-T.ALLAIN              
*REVDAT   1   23-NOV-11 2LEA    0                                                


#
# 99 HIS QB 99 HIS HE1 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,

      rk2=50, rk3=50, ir6=1, ialtd=0,
 igr1=1571,1572,
 &end
#
# 34 PHE QD 37 TYR QE 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 535, 543,
 igr2= 594, 599,
 &end
#
# 30 LEU HB3 34 PHE QD 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 535, 543,
 &end
#
# 30 LEU HG 34 PHE QD 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 535, 543,
 &end
#
# 30 LEU HB2 34 PHE QD 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 60 VAL HB 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 535, 543,
 &end
#
# 16 LEU QQD 34 PHE QD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 535, 543,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 34 PHE QD 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 535, 543,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 34 PHE QD 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 535, 543,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 34 PHE QD 40 VAL QQG 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
 igr1= 535, 543,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 37 TYR HB2 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 PHE HZ 68 ALA HA 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1114, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 34 PHE HA 62 PHE HZ 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,1017, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 46 PRO QB 59 PHE QE 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 734, 735,
 igr2= 955, 959,
 &end
#
# 17 LYS HB2 59 PHE QE 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 955, 959,
 &end
#
# 17 LYS HA 59 PHE QE 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 955, 959,
 &end
#
# 17 LYS HB3 59 PHE QE 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 955, 959,
 &end
#
# 46 PRO QG 59 PHE QE 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 731, 732,
 igr2= 955, 959,
 &end
#
# 57 PHE HZ 59 PHE QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 955, 959,
 &end
#
# 46 PRO QB 57 PHE HZ 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 734, 735,
 &end
#
# 55 ARG HB2 57 PHE HZ 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 927, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 46 PRO QG 57 PHE HZ 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 731, 732,
 &end
#
# 55 ARG HB3 57 PHE HZ 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 927, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 35 GLU HA 37 TYR QD 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 592, 601,
 &end
#
# 34 PHE HA 37 TYR QD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 592, 601,
 &end
#
# 62 PHE QD 67 ASP HA 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1013,1021,
 &end
#
# 62 PHE QD 67 ASP HB3 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1013,1021,
 &end
#
# 40 VAL QQG 62 PHE QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1013,1021,
 &end
#
# 62 PHE HA 62 PHE QD 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1013,1021,
 &end
#
# 40 VAL HA 62 PHE QD 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1013,1021,
 &end
#
# 34 PHE HB3 37 TYR QD 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 592, 601,
 &end
#
# 34 PHE HB3 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1013,1021,
 &end
#
# 55 ARG HB2 57 PHE QE 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 925, 929,
 &end
#
# 46 PRO QB 57 PHE QE 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 734, 735,
 igr2= 925, 929,
 &end
#
# 47 ARG HA 57 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 925, 929,
 &end
#
# 50 TYR QD 51 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 809, 818,
 &end
#
# 16 LEU QB 62 PHE QD 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 222, 223,
 igr2=1013,1021,
 &end
#
# 50 TYR HA 50 TYR QD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 809, 818,
 &end
#
# 49 ARG HA 50 TYR QD 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 809, 818,
 &end
#
# 57 PHE QE 59 PHE QD 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 925, 929,
 igr2= 953, 961,
 &end
#
# 46 PRO HD3 59 PHE QD 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 953, 961,
 &end
#
# 59 PHE HA 59 PHE QD 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 953, 961,
 &end
#
# 17 LYS HA 59 PHE QD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 953, 961,
 &end
#
# 46 PRO HD2 59 PHE QD 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 953, 961,
 &end
#
# 46 PRO HA 59 PHE QD 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 953, 961,
 &end
#
# 46 PRO QB 59 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 734, 735,
 igr2= 953, 961,
 &end
#
# 17 LYS HB3 59 PHE QD 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 953, 961,
 &end
#
# 46 PRO QG 59 PHE QD 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 731, 732,
 igr2= 953, 961,
 &end
#
# 59 PHE QD 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 953, 961,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 59 PHE QD 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 953, 961,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 2 SER HA 3 TYR QD 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  40,  49,
 &end
#
# 38 GLY HA3 62 PHE QE 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1015,1019,
 &end
#
# 35 GLU HB3 62 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1015,1019,
 &end
#
# 44 TYR QD 59 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 695, 704,
 &end
#
# 44 TYR HA 44 TYR QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 695, 704,
 &end
#
# 44 TYR QD 46 PRO HA 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 695, 704,
 &end
#
# 44 TYR QD 46 PRO QB 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 695, 704,
 igr2= 734, 735,
 &end
#
# 43 VAL HB 62 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1015,1019,
 &end
#
# 18 VAL QQG 62 PHE QE 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2=1015,1019,
 &end
#
# 34 PHE QD 62 PHE QE 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 535, 543,
 igr2=1015,1019,
 &end
#
# 62 PHE HA 62 PHE QE 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1015,1019,
 &end
#
# 34 PHE HB2 62 PHE QE 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1015,1019,
 &end
#
# 62 PHE QE 67 ASP HB3 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1015,1019,
 &end
#
# 23 TYR QD 24 ARG HB3 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 342, 351,
 &end
#
# 62 PHE QE 71 ALA QB 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1015,1019,
 igr2=1153,1154,1155,
 &end
#
# 62 PHE QE 87 VAL QQG 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1015,1019,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 43 VAL QQG 62 PHE QE 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2=1015,1019,
 &end
#
# 34 PHE HA 34 PHE QE 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 537, 541,
 &end
#
# 30 LEU HA 34 PHE QE 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 75 MET HB2 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 537, 541,
 &end
#
# 18 VAL QQG 34 PHE QE 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 87 VAL QQG 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 537, 541,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE QE 85 LEU QQD 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 537, 541,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 34 PHE HZ 85 LEU QQD 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 34 PHE QE 76 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 537, 541,
 &end
#
# 34 PHE HZ 76 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 PHE QE 75 MET HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 537, 541,
 &end
#
# 34 PHE HZ 75 MET HB3 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1203, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 34 PHE HZ 87 VAL HB 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1384, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 20 ASN HD21 85 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TYR QE 53 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 344, 349,
 &end
#
# 20 ASN HD21 84 GLU HB2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1326, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 23 TYR QE 24 ARG HB3 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 344, 349,
 &end
#
# 44 TYR QE 45 ILE HA 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 46 PRO QG 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 697, 702,
 igr2= 731, 732,
 &end
#
# 44 TYR QE 46 PRO HA 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 45 ILE QG2 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 697, 702,
 igr2= 714, 715, 716,
 &end
#
# 57 PHE HA 57 PHE QD 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 923, 931,
 &end
#
# 19 ASP HA 57 PHE QD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 923, 931,
 &end
#
# 19 ASP QB 57 PHE QD 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 279, 280,
 igr2= 923, 931,
 &end
#
# 59 PHE HZ 92 TYR QE 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1474,1479,
 &end
#
# 55 ARG HA 57 PHE QD 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 923, 931,
 &end
#
# 46 PRO HD2 57 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
# 55 ARG QD 57 PHE QD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 894, 895,
 igr2= 923, 931,
 &end
#
# 46 PRO QB 57 PHE QD 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 734, 735,
 igr2= 923, 931,
 &end
#
# 55 ARG HB2 57 PHE QD 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 923, 931,
 &end
#
# 46 PRO QG 57 PHE QD 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 731, 732,
 igr2= 923, 931,
 &end
#
# 55 ARG HB3 57 PHE QD 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 923, 931,
 &end
#
# 57 PHE QD 58 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 923, 931,
 igr2= 939, 940, 941,
 &end
#
# 17 LYS HD3 57 PHE QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 923, 931,
 &end
#
# 21 LEU HG 57 PHE QD 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 923, 931,
 &end
#
# 34 PHE HA 37 TYR QE 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 594, 599,
 &end
#
# 33 VAL HA 37 TYR QE 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 594, 599,
 &end
#
# 34 PHE HB3 37 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 594, 599,
 &end
#
# 36 LYS QE 37 TYR QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 575, 576,
 igr2= 594, 599,
 &end
#
# 37 TYR QE 71 ALA HA 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 594, 599,
 &end
#
# 36 LYS HD3 37 TYR QE 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 594, 599,
 &end
#
# 37 TYR QE 71 ALA QB 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 594, 599,
 igr2=1153,1154,1155,
 &end
#
# 37 TYR QE 74 ALA QB 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 594, 599,
 igr2=1192,1193,1194,
 &end
#
# 36 LYS HG3 37 TYR QE 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 594, 599,
 &end
#
# 59 PHE HA 59 PHE QE 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 955, 959,
 &end
#
# 17 LYS HA 59 PHE HA 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 947, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 59 PHE HA 60 VAL HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 967, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 17 LYS HB3 59 PHE HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 947, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 17 LYS HB2 59 PHE HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 947, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 17 LYS HG3 59 PHE HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 947, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 30 LEU QQD 59 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 21 LEU HG 57 PHE HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 917, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 21 LEU HB3 57 PHE HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 917, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 15 SER HA 63 HIS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 SER HA 61 ARG QD 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 991, 992,
 &end
#
# 15 SER HA 65 LYS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 SER HA 90 ALA QB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1434,1435,1436,
 &end
#
# 15 SER HA 16 LEU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 222, 223,
 &end
#
# 15 SER HA 16 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ASP HA 57 PHE HA 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 917, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 19 ASP HA 57 PHE HB2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 919, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 19 ASP HA 57 PHE HB3 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 920, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 19 ASP HA 86 ARG HB2 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,1360, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 15 SER QB 61 ARG HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 211, 212,
 &end
#
# 15 SER QB 61 ARG HA 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 211, 212,
 &end
#
# 61 ARG HA 61 ARG QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 991, 992,
 &end
#
# 42 ASP HB3 61 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ASP QB 86 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 87 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 85 LEU HB3 86 ARG HA 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1358, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 34 PHE QE 87 VAL HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 537, 541,
 &end
#
# 20 ASN HB2 86 ARG HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1358, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 77 GLY HA2 86 ARG HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1358, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 87 VAL HA 88 GLN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL HB 87 VAL HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,1382, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 34 PHE QD 35 GLU HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 535, 543,
 &end
#
# 35 GLU HA 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HA 39 ARG HA 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 614, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 35 GLU HA 40 VAL HA 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 638, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 35 GLU HA 40 VAL HB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 640, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 43 VAL HA 44 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 PRO HG3 44 TYR HA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 689, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 63 HIS HA 64 ASP HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1044, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 44 TYR HA 45 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 710, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HD2 35 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 HIS HB2 64 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ASP HA 68 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1116,1117,1118,
 &end
#
# 88 GLN HA 89 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 GLN HA 88 GLN HG3 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1404, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 72 MET HG3 88 GLN HA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1398, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 40 VAL HA 62 PHE HA 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1007, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 18 VAL HA 86 ARG HB2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1360, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 45 ILE QG1 58 ALA HA 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 718, 719,
 &end
#
# 17 LYS HA 60 VAL QQG 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 57 PHE QD 58 ALA HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 923, 931,
 &end
#
# 37 TYR QE 75 MET HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 594, 599,
 &end
#
# 27 PRO HA 43 VAL HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 673, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 43 VAL HA 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 87 VAL QQG 89 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 43 VAL HA 60 VAL QQG 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL HA 44 TYR QD 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 695, 704,
 &end
#
# 38 GLY HA2 67 ASP HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 607,1102, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 85 LEU HA 85 LEU QQD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 8 PRO HA 9 ASP HA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 128, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 3 TYR HA 3 TYR QD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=  40,  49,
 &end
#
# 9 ASP HA 10 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82 GLY HA3 83 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 ASP HA 11 GLU QG 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 161, 162,
 &end
#
# 83 ARG HA 83 ARG HG3 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1306, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 79 VAL QQG 83 ARG HA 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 47 ARG HA 55 ARG HB2 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 888, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 59 PHE QE 90 ALA HA 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 955, 959,
 &end
#
# 14 THR HA 15 SER HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 209, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 20 ASN HA 85 LEU QQD 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 22 THR HB 83 ARG QD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1308,1309,
 &end
#
# 22 THR HB 81 ASP QB 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1283,1284,
 &end
#
# 76 ASP HA 87 VAL HB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1384, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 22 THR HB 83 ARG QB 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1302,1303,
 &end
#
# 22 THR HB 83 ARG HG2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,1305, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 21 LEU HA 21 LEU HB3 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 306, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 14 THR QG2 63 HIS HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 199, 200, 201,
 &end
#
# 21 LEU HA 25 THR QG2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 385, 386, 387,
 &end
#
# 45 ILE HA 58 ALA QB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE HA 45 ILE QG1 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 718, 719,
 &end
#
# 21 LEU HA 85 LEU QQD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU HA 57 PHE HA 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 917, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 28 ASP HA 31 ARG QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 467, 468,
 &end
#
# 26 SER QB 28 ASP QB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 397, 398,
 igr2= 422, 423,
 &end
#
# 60 VAL HA 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1013,1021,
 &end
#
# 91 ARG HA 91 ARG QG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1447,1448,
 &end
#
# 43 VAL HA 60 VAL HA 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 967, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 77 GLY HA2 84 GLU HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1324, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 43 VAL HB 60 VAL HA 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 967, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 91 ARG HA 92 TYR QD 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1472,1481,
 &end
#
# 20 ASN HD21 84 GLU HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1324, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 23 TYR QE 53 GLU HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 344, 349,
 &end
#
# 47 ARG HA 54 SER HA 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 875, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 91 ARG HA 91 ARG QD 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1450,1451,
 &end
#
# 37 TYR HA 37 TYR QE 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 594, 599,
 &end
#
# 35 GLU HB2 39 ARG HA 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 614, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 47 ARG QB 54 SER HA 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 745, 746,
 &end
#
# 72 MET HG2 73 ASP HA 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1178, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 70 ASP HA 73 ASP QB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1180,1181,
 &end
#
# 70 ASP HA 73 ASP QB 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1180,1181,
 &end
#
# 77 GLY HA3 84 GLU HG3 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1330, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 77 GLY HA3 84 GLU HG2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1329, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 79 VAL QQG 81 ASP HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 62 PHE QE 67 ASP HA 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=1015,1019,
 &end
#
# 74 ALA HA 75 MET HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1200, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 73 ASP QB 74 ALA HA 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1180,1181,
 &end
#
# 27 PRO HA 44 TYR HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 689, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 46 PRO HA 57 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 ARG HA 66 ARG QD 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1086,1087,
 &end
#
# 31 ARG HD3 32 ARG HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 489, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 32 ARG HA 36 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 575, 576,
 &end
#
# 66 ARG HA 66 ARG QG 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1083,1084,
 &end
#
# 27 PRO HA 30 LEU HB2 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 448, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 27 PRO HA 58 ALA QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 939, 940, 941,
 &end
#
# 21 LEU QD2 25 THR HB 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 314, 315, 316,
 &end
#
# 49 ARG HA 49 ARG QD 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 787, 788,
 &end
#
# 52 LYS HA 52 LYS QG 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 843, 844,
 &end
#
# 48 ASP QB 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 769, 770,
 igr2= 877, 878,
 &end
#
# 54 SER QB 55 ARG HB2 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 877, 878,
 &end
#
# 45 ILE HB 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 877, 878,
 &end
#
# 29 THR HA 30 LEU QQD 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 29 THR HA 33 VAL HB 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 515, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 62 PHE QD 65 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1013,1021,
 &end
#
# 36 LYS HA 36 LYS HB3 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 567, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 36 LYS HA 36 LYS HG3 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 570, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 15 SER QB 92 TYR HB3 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 211, 212,
 &end
#
# 15 SER QB 61 ARG QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 211, 212,
 igr2= 991, 992,
 &end
#
# 65 LYS HA 72 MET QE 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1170,1171,1172,
 &end
#
# 33 VAL HA 34 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 535, 543,
 &end
#
# 33 VAL HA 34 PHE HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 529, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 54 SER QB 55 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 877, 878,
 igr2= 891, 892,
 &end
#
# 47 ARG QD 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 751, 752,
 igr2= 877, 878,
 &end
#
# 27 PRO HD3 30 LEU QQD 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 77 GLY HA2 85 LEU HB2 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1341, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 40 VAL HA 62 PHE QE 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1015,1019,
 &end
#
# 34 PHE QE 72 MET HA 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 537, 541,
 &end
#
# 31 ARG HA 34 PHE QD 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 72 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 535, 543,
 &end
#
# 31 ARG HA 40 VAL QQG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 62 PHE HB3 68 ALA HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1114, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 15 SER QB 92 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 211, 212,
 &end
#
# 94 ARG QB 95 PRO HD2 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1496,1497,
 &end
#
# 79 VAL HB 82 GLY HA2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1293, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 82 GLY HA2 83 ARG HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1293,1300, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 34 PHE QD 37 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 535, 543,
 &end
#
# 36 LYS HG3 37 TYR HB2 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 588, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 37 TYR HB2 68 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HD2 32 ARG QB 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 491, 492,
 &end
#
# 31 ARG HD2 40 VAL QQG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 20 ASN HB3 86 ARG QD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1366,1367,
 &end
#
# 29 THR QG2 32 ARG QD 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 436, 437, 438,
 igr2= 497, 498,
 &end
#
# 31 ARG HD3 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 31 ARG HD3 35 GLU HG2 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 554, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 91 ARG QG 91 ARG QD 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1=1447,1448,
 igr2=1450,1451,
 &end
#
# 31 ARG HD3 40 VAL HB 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 640, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 25 THR HA 81 ASP QB 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1283,1284,
 &end
#
# 47 ARG QB 47 ARG QD 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 745, 746,
 igr2= 751, 752,
 &end
#
# 45 ILE HA 46 PRO HD3 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 729, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 47 ARG QD 54 SER QB 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 751, 752,
 igr2= 877, 878,
 &end
#
# 46 PRO HD3 57 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ARG QD 57 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 894, 895,
 &end
#
# 83 ARG QB 83 ARG QD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1302,1303,
 igr2=1308,1309,
 &end
#
# 37 TYR QE 70 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 599,
 &end
#
# 48 ASP QB 50 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
# 14 THR HA 65 LYS QE 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1067,1068,
 &end
#
# 71 ALA HA 75 MET HB2 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1202, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 34 PHE QD 68 ALA HA 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 535, 543,
 &end
#
# 34 PHE QD 71 ALA HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 535, 543,
 &end
#
# 16 LEU HA 62 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ASP QB 87 VAL QQG 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=1219,1220,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 46 PRO HA 59 PHE QB 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 949, 950,
 &end
#
# 20 ASN HB3 85 LEU QQD 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB3 86 ARG HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1358, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 42 ASP HB3 43 VAL QQG 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 89 MET HG3 89 MET QE 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1424,1425,1426,
 &end
#
# 17 LYS QE 18 VAL HA 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 250, 251,
 &end
#
# 17 LYS QE 59 PHE QE 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 250, 251,
 igr2= 955, 959,
 &end
#
# 17 LYS QE 57 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
# 17 LYS QE 59 PHE QD 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 250, 251,
 igr2= 953, 961,
 &end
#
# 17 LYS QE 57 PHE HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 250, 251,
 &end
#
# 35 GLU HB3 40 VAL HB 2.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 640, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
# 68 ALA QB 72 MET HB3 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1116,1117,1118,
 &end
#
# 81 ASP QB 82 GLY HA2 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1283,1284,
 &end
#
# 10 VAL QQG 11 GLU QG 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 161, 162,
 &end
#
# 42 ASP HB2 62 PHE HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 663,1007, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 34 PHE HZ 85 LEU HB3 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1342, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 77 GLY HA2 84 GLU HG2 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1329, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 72 MET QE 89 MET HG3 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1170,1171,1172,
 &end
#
# 69 GLU HB3 69 GLU HG2 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 72 MET HB3 72 MET QE 2.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2=1170,1171,1172,
 &end
#
# 68 ALA QB 72 MET QE 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1116,1117,1118,
 igr2=1170,1171,1172,
 &end
#
# 55 ARG HB2 56 GLY QA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 910, 911,
 &end
#
# 66 ARG QD 69 GLU HB3 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1086,1087,
 &end
#
# 55 ARG HB2 55 ARG QD 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 894, 895,
 &end
#
# 77 GLY HA2 84 GLU HG3 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1330, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 9 ASP QB 11 GLU QB 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 130, 131,
 igr2= 158, 159,
 &end
#
# 79 VAL QQG 84 GLU HG3 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 10 VAL HB 13 MET QB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 180, 181,
 &end
#
# 10 VAL HB 89 MET HG3 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1421, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 37 TYR QE 75 MET HB3 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 594, 599,
 &end
#
# 66 ARG HA 69 GLU HB2 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1126, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 18 VAL HA 87 VAL HB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1384, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 94 ARG QD 95 PRO QG 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1502,1503,
 igr2=1520,1521,
 &end
#
# 14 THR HA 65 LYS HB2 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1058, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 40 VAL QQG 43 VAL HB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 38 GLY HA3 39 ARG HB2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 616, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 20 ASN HB2 86 ARG HB2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1360, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 84 GLU HB2 84 GLU HG3 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 83 ARG HA 84 GLU HB2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1326, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 39 ARG HB2 39 ARG QG 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2= 619, 620,
 &end
#
# 13 MET QG 91 ARG HA 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1442, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 183, 184,
 &end
#
# 83 ARG QB 83 ARG QD 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1302,1303,
 igr2=1308,1309,
 &end
#
# 72 MET HA 75 MET HB2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1202, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 39 ARG HB3 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1013,1021,
 &end
#
# 37 TYR QE 75 MET HB2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 594, 599,
 &end
#
# 39 ARG HB3 62 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91 ARG QB 92 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1472,1481,
 &end
#
# 15 SER QB 61 ARG QG 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 211, 212,
 igr2= 988, 989,
 &end
#
# 42 ASP HB3 61 ARG QG 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 988, 989,
 &end
#
# 83 ARG QB 83 ARG HG3 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr1=1302,1303,
 &end
#
# 79 VAL HA 83 ARG HG3 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1306, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 86 ARG HB3 86 ARG QD 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1366,1367,
 &end
#
# 91 ARG QB 91 ARG QD 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1444,1445,
 igr2=1450,1451,
 &end
#
# 51 THR HA 52 LYS QD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 846, 847,
 &end
#
# 17 LYS HB3 89 MET HA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1415, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 19 ASP QB 86 ARG QG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 279, 280,
 igr2=1363,1364,
 &end
#
# 5 ARG QB 5 ARG QD 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr1=  64,  65,
 igr2=  70,  71,
 &end
#
# 86 ARG HB2 86 ARG QG 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr2=1363,1364,
 &end
#
# 16 LEU QB 62 PHE HA 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 222, 223,
 &end
#
# 16 LEU QB 60 VAL QQG 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 222, 223,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 46 PRO QG 58 ALA HA 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 731, 732,
 &end
#
# 46 PRO QG 57 PHE QE 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 731, 732,
 igr2= 925, 929,
 &end
#
# 45 ILE HA 46 PRO QG 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 731, 732,
 &end
#
# 55 ARG QG 57 PHE QE 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 891, 892,
 igr2= 925, 929,
 &end
#
# 34 PHE QE 75 MET QE 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 537, 541,
 igr2=1209,1210,1211,
 &end
#
# 34 PHE HA 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1209,1210,1211,
 &end
#
# 75 MET QE 80 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1209,1210,1211,
 &end
#
# 47 ARG HA 47 ARG QG 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 748, 749,
 &end
#
# 48 ASP HA 55 ARG QG 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 891, 892,
 &end
#
# 19 ASP QB 21 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 20 ASN HB3 21 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LEU HG 25 THR HB 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 383, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 30 LEU HA 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL QG1 80 LEU HG 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 517, 518, 519,
 &end
#
# 81 ASP QB 83 ARG HG2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1283,1284,
 &end
#
# 59 PHE QE 61 ARG QB 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 955, 959,
 igr2= 985, 986,
 &end
#
# 30 LEU HB2 30 LEU QQD 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU HB2 34 PHE QE 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 60 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 537, 541,
 &end
#
# 17 LYS HG2 59 PHE HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 947, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 16 LEU HA 61 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 985, 986,
 &end
#
# 21 LEU HB3 25 THR HB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 383, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 17 LYS HG3 19 ASP QB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 279, 280,
 &end
#
# 22 THR QG2 81 ASP QB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 326, 327, 328,
 igr2=1283,1284,
 &end
#
# 21 LEU HB3 21 LEU QD2 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 314, 315, 316,
 &end
#
# 17 LYS HB2 59 PHE QD 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 953, 961,
 &end
#
# 61 ARG QD 90 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 991, 992,
 igr2=1434,1435,1436,
 &end
#
# 47 ARG QB 54 SER QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 745, 746,
 igr2= 877, 878,
 &end
#
# 49 ARG QG 50 TYR QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 784, 785,
 igr2= 809, 818,
 &end
#
# 67 ASP HB2 71 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
# 45 ILE QG1 60 VAL QQG 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 718, 719,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 29 THR QG2 30 LEU HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 436, 437, 438,
 &end
#
# 21 LEU QD1 45 ILE QG1 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 310, 311, 312,
 igr2= 718, 719,
 &end
#
# 45 ILE QG2 45 ILE QG1 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1= 714, 715, 716,
 igr2= 718, 719,
 &end
#
# 51 THR HA 51 THR QG2 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR HB2 51 THR QG2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 828, 829, 830,
 &end
#
# 80 LEU QQD 85 LEU HB2 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 16 LEU QB 62 PHE QE 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 222, 223,
 igr2=1015,1019,
 &end
#
# 62 PHE QE 68 ALA QB 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1015,1019,
 igr2=1116,1117,1118,
 &end
#
# 21 LEU HB2 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 ARG HA 49 ARG QG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 784, 785,
 &end
#
# 25 THR QG2 30 LEU QQD 2.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 385, 386, 387,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 25 THR QG2 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 385, 386, 387,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 29 THR HB 33 VAL QG2 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 521, 522, 523,
 &end
#
# 33 VAL QG2 34 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 521, 522, 523,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 535, 543,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 33 VAL QG2 34 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 521, 522, 523,
 &end
#
# 34 PHE QE 87 VAL QQG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 537, 541,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 33 VAL QG2 80 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 521, 522, 523,
 &end
#
# 85 LEU HA 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HG3 87 VAL QQG 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP QB 87 VAL QQG 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1219,1220,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HG2 87 VAL QQG 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL QQG 59 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 953, 961,
 &end
#
# 58 ALA QB 59 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 939, 940, 941,
 igr2= 953, 961,
 &end
#
# 25 THR HB 58 ALA QB 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 939, 940, 941,
 &end
#
# 33 VAL HA 80 LEU QQD 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 16 LEU QQD 62 PHE HB3 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 80 LEU HA 80 LEU QQD 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 25 THR HA 80 LEU QQD 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 30 LEU HA 80 LEU QQD 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 29 THR QG2 80 LEU QQD 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 436, 437, 438,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 16 LEU QQD 68 ALA QB 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1116,1117,1118,
 &end
#
# 16 LEU QQD 62 PHE HZ 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HB3 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 25 THR QG2 80 LEU QQD 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 385, 386, 387,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 16 LEU QQD 18 VAL QQG 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 29 THR HB 80 LEU QQD 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 16 LEU QQD 89 MET HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 68 ALA HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 34 PHE QE 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 537, 541,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 15 SER HA 16 LEU QQD 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 9 ASP HA 10 VAL QQG 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 80 LEU HA 80 LEU QQD 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 77 GLY HA3 79 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 80 LEU QQD 81 ASP HA 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 16 LEU QQD 65 LYS HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 34 PHE HB2 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 34 PHE HB2 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 80 LEU QQD 83 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1308,1309,
 &end
#
# 16 LEU QQD 72 MET HB3 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 80 LEU QQD 81 ASP QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 79 VAL QQG 84 GLU HG3 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 25 THR QG2 80 LEU QQD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 385, 386, 387,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 33 VAL QG2 80 LEU QQD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 521, 522, 523,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 16 LEU QQD 87 VAL QQG 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET QE 80 LEU QQD 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1209,1210,1211,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 19 ASP HA 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QQD 86 ARG HA 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 75 MET HA 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 76 ASP HA 85 LEU QQD 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 83 ARG QD 85 LEU QQD 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=1308,1309,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 33 VAL QG1 36 LYS QE 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 517, 518, 519,
 igr2= 575, 576,
 &end
#
# 85 LEU HB3 85 LEU QQD 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 19 ASP HA 30 LEU QQD 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 45 ILE QG2 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 714, 715, 716,
 &end
#
# 18 VAL QQG 19 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 30 LEU QQD 33 VAL HB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 79 VAL QQG 81 ASP QB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1283,1284,
 &end
#
# 21 LEU QD2 25 THR QG2 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 314, 315, 316,
 igr2= 385, 386, 387,
 &end
#
# 40 VAL QQG 62 PHE HZ 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HG2 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 62 PHE HA 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 60 VAL QQG 62 PHE HZ 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 35 GLU HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 44 TYR HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 31 ARG HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 68 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 87 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 42 ASP HB2 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU HB3 60 VAL QQG 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 16 LEU QB 60 VAL QQG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 222, 223,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 75 MET QE 78 ALA H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1209,1210,1211,
 &end
#
# 34 PHE QD 75 MET QE 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 535, 543,
 igr2=1209,1210,1211,
 &end
#
# 34 PHE HZ 75 MET QE 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1209,1210,1211,
 &end
#
# 37 TYR QE 75 MET QE 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 594, 599,
 igr2=1209,1210,1211,
 &end
#
# 75 MET HA 75 MET QE 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL HA 75 MET QE 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1209,1210,1211,
 &end
#
# 72 MET HA 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1209,1210,1211,
 &end
#
# 75 MET QE 85 LEU HB3 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1209,1210,1211,
 &end
#
# 75 MET HB3 75 MET QE 2.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
 igr2=1209,1210,1211,
 &end
#
# 75 MET QE 80 LEU QB 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1209,1210,1211,
 igr2=1264,1265,
 &end
#
# 75 MET QE 80 LEU QB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1209,1210,1211,
 igr2=1264,1265,
 &end
#
# 75 MET QE 85 LEU HB2 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1209,1210,1211,
 &end
#
# 33 VAL QG1 75 MET QE 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 517, 518, 519,
 igr2=1209,1210,1211,
 &end
#
# 60 VAL QQG 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1209,1210,1211,
 &end
#
# 60 VAL QQG 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1209,1210,1211,
 &end
#
# 75 MET QE 85 LEU H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1209,1210,1211,
 &end
#
# 75 MET QE 80 LEU H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1209,1210,1211,
 &end
#
# 75 MET QE 77 GLY H 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1209,1210,1211,
 &end
#
# 34 PHE HB2 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1209,1210,1211,
 &end
#
# 41 GLY HA2 42 ASP HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 661, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 77 GLY HA3 79 VAL H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1244, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 39 ARG HB3 41 GLY HA2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 41 GLY HA2 63 HIS HD2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,1038, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 21 LEU HB2 56 GLY QA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 910, 911,
 &end
#
# 21 LEU H 56 GLY QA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 910, 911,
 &end
#
# 20 ASN HD21 77 GLY HA2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 GLY HA3 42 ASP HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 661, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 41 GLY HA3 61 ARG QG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 988, 989,
 &end
#
# 40 VAL QQG 41 GLY HA3 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 41 GLY HA2 63 HIS H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,1025, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 21 LEU QD1 56 GLY QA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 310, 311, 312,
 igr2= 910, 911,
 &end
#
# 81 ASP H 82 GLY HA3 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1294, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 77 GLY HA2 86 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL QQG 82 GLY HA2 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 19 ASP H 19 ASP QB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 279, 280,
 &end
#
# 19 ASP QB 57 PHE QD 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 279, 280,
 igr2= 923, 931,
 &end
#
# 19 ASP QB 57 PHE HA 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 20 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 20 ASN HB2 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 57 PHE HB2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 86 ARG HB2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 279, 280,
 &end
#
# 17 LYS HD2 19 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 279, 280,
 &end
#
# 18 VAL QQG 19 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 279, 280,
 &end
#
# 19 ASP QB 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 279, 280,
 igr2= 939, 940, 941,
 &end
#
# 19 ASP H 19 ASP QB 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 279, 280,
 &end
#
# 19 ASP QB 20 ASN H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 57 PHE HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 279, 280,
 &end
#
# 18 VAL HA 19 ASP QB 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 279, 280,
 &end
#
# 19 ASP QB 20 ASN HB2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 20 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 57 PHE HB2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 86 ARG HB2 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 279, 280,
 &end
#
# 17 LYS HD2 19 ASP QB 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 279, 280,
 &end
#
# 80 LEU QB 81 ASP H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1264,1265,
 &end
#
# 80 LEU QB 80 LEU QQD 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QB 81 ASP H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1264,1265,
 &end
#
# 44 TYR H 45 ILE QD1 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE QD1 59 PHE H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 721, 722, 723,
 &end
#
# 45 ILE QD1 58 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 721, 722, 723,
 &end
#
# 45 ILE QD1 60 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 721, 722, 723,
 &end
#
# 45 ILE H 45 ILE QD1 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 721, 722, 723,
 &end
#
# 29 THR H 45 ILE QD1 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 721, 722, 723,
 &end
#
# 44 TYR HA 45 ILE QD1 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 721, 722, 723,
 &end
#
# 26 SER HA 45 ILE QD1 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE QD1 58 ALA HA 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 721, 722, 723,
 &end
#
# 45 ILE HA 45 ILE QD1 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO HA 45 ILE QD1 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO HD3 45 ILE QD1 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE QD1 46 PRO HD2 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 721, 722, 723,
 &end
#
# 45 ILE QD1 46 PRO HD3 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 721, 722, 723,
 &end
#
# 27 PRO HG3 45 ILE QD1 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE HB 45 ILE QD1 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE QD1 58 ALA QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 721, 722, 723,
 igr2= 939, 940, 941,
 &end
#
# 30 LEU QQD 45 ILE QD1 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE QD1 60 VAL QQG 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 721, 722, 723,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU H 45 ILE QD1 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 721, 722, 723,
 &end
#
# 44 TYR QD 45 ILE QD1 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 695, 704,
 igr2= 721, 722, 723,
 &end
#
# 3 TYR QD 4 GLY QA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=  40,  49,
 igr2=  55,  56,
 &end
#
# 3 TYR QE 4 GLY QA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=  42,  47,
 igr2=  55,  56,
 &end
#
# 3 TYR HB2 4 GLY QA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=  55,  56,
 &end
#
# 4 GLY QA 5 ARG QB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  55,  56,
 igr2=  64,  65,
 &end
#
# 92 TYR H 93 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
# 92 TYR HB2 93 GLY QA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=1487,1488,
 &end
#
# 92 TYR QD 93 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1472,1481,
 igr2=1487,1488,
 &end
#
# 92 TYR H 93 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
# 92 TYR HA 93 GLY QA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1487,1488,
 &end
#
# 93 GLY QA 94 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1487,1488,
 &end
#
# 93 GLY QA 94 ARG QB 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1487,1488,
 igr2=1496,1497,
 &end
#
# 38 GLY HA3 67 ASP HB2 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1104, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 38 GLY HA3 62 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1013,1021,
 &end
#
# 38 GLY HA3 39 ARG HB3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 617, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 38 GLY HA3 67 ASP HB3 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1105, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 16 LEU QB 16 LEU QQD 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 222, 223,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 38 GLY HA2 39 ARG QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 622, 623,
 &end
#
# 64 ASP QB 67 ASP H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 68 ALA H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 67 ASP HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 66 ARG QB 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1046,1047,
 igr2=1080,1081,
 &end
#
# 64 ASP QB 65 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1046,1047,
 igr2=1061,1062,
 &end
#
# 64 ASP QB 68 ALA QB 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1046,1047,
 igr2=1116,1117,1118,
 &end
#
# 42 ASP HB3 44 TYR H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 687, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 42 ASP HB3 43 VAL H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 671, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 42 ASP HB3 61 ARG QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 991, 992,
 &end
#
# 42 ASP HB3 61 ARG QB 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 985, 986,
 &end
#
# 40 VAL QQG 42 ASP HB3 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 42 ASP HB3 61 ARG H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 981, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 64 ASP QB 65 LYS H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1046,1047,
 &end
#
# 63 HIS HE1 64 ASP QB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1046,1047,
 &end
#
# 64 ASP QB 67 ASP H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 68 ALA H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 65 LYS HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 66 ARG QB 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1046,1047,
 igr2=1080,1081,
 &end
#
# 42 ASP HB2 61 ARG H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 981, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 42 ASP HB2 43 VAL H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 671, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 42 ASP HB2 60 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 ASP HB2 61 ARG QG 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 988, 989,
 &end
#
# 42 ASP HB2 61 ARG QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 985, 986,
 &end
#
# 21 LEU HB2 57 PHE H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 915, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 21 LEU HB3 21 LEU QD1 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 310, 311, 312,
 &end
#
# 21 LEU HB3 25 THR H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 379, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 21 LEU HB3 56 GLY QA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 910, 911,
 &end
#
# 79 VAL HA 85 LEU HB2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1341, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 21 LEU HB2 21 LEU QD1 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 310, 311, 312,
 &end
#
# 21 LEU HB2 21 LEU QD2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 314, 315, 316,
 &end
#
# 24 ARG QG 24 ARG QD 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 362, 363,
 igr2= 365, 366,
 &end
#
# 15 SER QB 61 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 211, 212,
 igr2= 991, 992,
 &end
#
# 84 GLU HA 85 LEU HB3 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1342, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 18 VAL QQG 85 LEU HB3 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 85 LEU HB3 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 77 GLY HA2 85 LEU HB3 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1342, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 20 ASN HB3 85 LEU HB2 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1341, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 85 LEU HB2 85 LEU QQD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 77 GLY H 85 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LEU HB2 56 GLY QA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 910, 911,
 &end
#
# 32 ARG QB 32 ARG QD 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 491, 492,
 igr2= 497, 498,
 &end
#
# 85 LEU QQD 86 ARG QD 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1346,1347,1348,1350,1351,1352,
 igr2=1366,1367,
 &end
#
# 32 ARG QG 32 ARG QD 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr1= 494, 495,
 igr2= 497, 498,
 &end
#
# 31 ARG HD3 35 GLU HB3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 552, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 31 ARG H 31 ARG HD3 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 474, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 31 ARG HA 31 ARG HD3 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 474, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 31 ARG HD3 40 VAL H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 636, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 94 ARG H 94 ARG QD 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1502,1503,
 &end
#
# 94 ARG HA 94 ARG QD 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1502,1503,
 &end
#
# 94 ARG QD 95 PRO HD3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1502,1503,
 &end
#
# 94 ARG QD 95 PRO HD2 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1=1502,1503,
 &end
#
# 24 ARG HB2 24 ARG QD 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2= 365, 366,
 &end
#
# 94 ARG QB 94 ARG QD 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1496,1497,
 igr2=1502,1503,
 &end
#
# 23 TYR QE 24 ARG QD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 344, 349,
 igr2= 365, 366,
 &end
#
# 55 ARG QD 57 PHE QE 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 894, 895,
 igr2= 925, 929,
 &end
#
# 20 ASN HB3 83 ARG QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1308,1309,
 &end
#
# 49 ARG QB 49 ARG QD 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 781, 782,
 igr2= 787, 788,
 &end
#
# 59 PHE QE 61 ARG QD 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 955, 959,
 igr2= 991, 992,
 &end
#
# 61 ARG H 61 ARG QD 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 991, 992,
 &end
#
# 42 ASP HB2 61 ARG QD 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 991, 992,
 &end
#
# 61 ARG QB 61 ARG QD 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 985, 986,
 igr2= 991, 992,
 &end
#
# 31 ARG HD2 32 ARG H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 487, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 31 ARG HD2 32 ARG HA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 489, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 31 ARG HA 31 ARG HD2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 473, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 31 ARG QB 31 ARG HD2 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 467, 468,
 &end
#
# 31 ARG HD2 43 VAL QQG 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG HD2 40 VAL QQG 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 86 ARG QD 87 VAL H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1366,1367,
 &end
#
# 77 GLY H 86 ARG QD 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1366,1367,
 &end
#
# 78 ALA H 86 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1366,1367,
 &end
#
# 86 ARG HA 86 ARG QD 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1366,1367,
 &end
#
# 86 ARG QG 86 ARG QD 2.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1363,1364,
 igr2=1366,1367,
 &end
#
# 86 ARG QD 87 VAL QQG 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1366,1367,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 85 LEU QQD 86 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1346,1347,1348,1350,1351,1352,
 igr2=1366,1367,
 &end
#
# 86 ARG QD 88 GLN QE2 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1366,1367,
 igr2=1408,1409,
 &end
#
# 31 ARG HD3 40 VAL QQG 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG HD3 43 VAL QQG 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 55 ARG QG 55 ARG QD 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 891, 892,
 igr2= 894, 895,
 &end
#
# 55 ARG H 55 ARG QD 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 894, 895,
 &end
#
# 21 LEU HA 83 ARG QD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1308,1309,
 &end
#
# 55 ARG HA 55 ARG QD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 894, 895,
 &end
#
# 55 ARG HB3 55 ARG QD 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
 igr2= 894, 895,
 &end
#
# 22 THR H 83 ARG QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1308,1309,
 &end
#
# 20 ASN HD21 83 ARG QD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1308,1309,
 &end
#
# 48 ASP QB 49 ARG HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 769, 770,
 &end
#
# 48 ASP QB 49 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
# 83 ARG H 83 ARG QD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1308,1309,
 &end
#
# 48 ASP QB 49 ARG H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 769, 770,
 &end
#
# 48 ASP QB 51 THR H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 769, 770,
 &end
#
# 47 ARG QG 48 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 748, 749,
 igr2= 769, 770,
 &end
#
# 48 ASP QB 55 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 769, 770,
 igr2= 891, 892,
 &end
#
# 48 ASP QB 51 THR QG2 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 769, 770,
 igr2= 828, 829, 830,
 &end
#
# 30 LEU HB3 34 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LEU HB3 31 ARG H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 463, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 30 LEU H 30 LEU HB3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 30 LEU HB3 34 PHE QE 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 537, 541,
 &end
#
# 30 LEU HB3 43 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LEU HB3 43 VAL QQG 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU HB3 30 LEU QQD 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU H 30 LEU HB2 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 448, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 30 LEU HB2 60 VAL QQG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 41 GLY H 62 PHE HB3 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1010, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 62 PHE HB3 63 HIS HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 PHE HB2 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 PHE HB2 58 ALA QB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 939, 940, 941,
 &end
#
# 65 LYS QD 65 LYS QE 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr1=1064,1065,
 igr2=1067,1068,
 &end
#
# 65 LYS QG 65 LYS QE 2.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1=1061,1062,
 igr2=1067,1068,
 &end
#
# 65 LYS HB2 65 LYS QE 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1067,1068,
 &end
#
# 17 LYS QE 57 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
# 62 PHE HB2 64 ASP H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1042, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 20 ASN HA 57 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 LEU QB 62 PHE HB2 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 222, 223,
 &end
#
# 65 LYS H 65 LYS QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1067,1068,
 &end
#
# 65 LYS QE 66 ARG H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1067,1068,
 &end
#
# 14 THR QG2 65 LYS QE 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 199, 200, 201,
 igr2=1067,1068,
 &end
#
# 36 LYS QE 37 TYR H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 575, 576,
 &end
#
# 36 LYS QE 37 TYR QD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 575, 576,
 igr2= 592, 601,
 &end
#
# 36 LYS QE 37 TYR HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 575, 576,
 &end
#
# 33 VAL HA 36 LYS QE 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 575, 576,
 &end
#
# 36 LYS HD3 36 LYS QE 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2= 575, 576,
 &end
#
# 36 LYS HD2 36 LYS QE 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2= 575, 576,
 &end
#
# 36 LYS HB2 36 LYS QE 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 575, 576,
 &end
#
# 36 LYS HG3 36 LYS QE 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 575, 576,
 &end
#
# 43 VAL QQG 44 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 59 PHE QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 949, 950,
 &end
#
# 43 VAL HA 59 PHE QB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 949, 950,
 &end
#
# 60 VAL QQG 62 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 17 LYS QE 58 ALA H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 250, 251,
 &end
#
# 17 LYS QE 60 VAL H 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 250, 251,
 &end
#
# 43 VAL HA 44 TYR HB3 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 692, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 43 VAL QQG 44 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 44 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 17 LYS QE 18 VAL H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 250, 251,
 &end
#
# 17 LYS QE 57 PHE QE 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 250, 251,
 igr2= 925, 929,
 &end
#
# 17 LYS QE 57 PHE QD 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 250, 251,
 igr2= 923, 931,
 &end
#
# 17 LYS QE 19 ASP HA 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 250, 251,
 &end
#
# 17 LYS HA 17 LYS QE 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 250, 251,
 &end
#
# 17 LYS QE 57 PHE HB2 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 250, 251,
 &end
#
# 17 LYS QE 59 PHE QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 250, 251,
 igr2= 949, 950,
 &end
#
# 17 LYS HG3 17 LYS QE 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2= 250, 251,
 &end
#
# 75 MET H 76 ASP QB 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1219,1220,
 &end
#
# 76 ASP QB 77 GLY HA2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
# 72 MET HA 76 ASP QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1219,1220,
 &end
#
# 72 MET HB2 76 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1219,1220,
 &end
#
# 62 PHE HA 67 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 ASP QB 31 ARG H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 422, 423,
 &end
#
# 72 MET H 73 ASP QB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1180,1181,
 &end
#
# 73 ASP QB 74 ALA H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1180,1181,
 &end
#
# 69 GLU HA 73 ASP QB 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1180,1181,
 &end
#
# 73 ASP QB 74 ALA QB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1180,1181,
 igr2=1192,1193,1194,
 &end
#
# 9 ASP QB 10 VAL QQG 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 130, 131,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 9 ASP QB 10 VAL HA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 130, 131,
 &end
#
# 73 ASP QB 74 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1180,1181,
 &end
#
# 73 ASP QB 74 ALA QB 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1180,1181,
 igr2=1192,1193,1194,
 &end
#
# 28 ASP QB 29 THR H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 422, 423,
 &end
#
# 28 ASP QB 29 THR QG2 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 422, 423,
 igr2= 436, 437, 438,
 &end
#
# 28 ASP H 28 ASP QB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 422, 423,
 &end
#
# 28 ASP HA 28 ASP QB 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2= 422, 423,
 &end
#
# 73 ASP HA 73 ASP QB 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2=1180,1181,
 &end
#
# 27 PRO HD2 28 ASP QB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 422, 423,
 &end
#
# 9 ASP QB 10 VAL QQG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 130, 131,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 9 ASP H 9 ASP QB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 130, 131,
 &end
#
# 9 ASP HA 9 ASP QB 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 130, 131,
 &end
#
# 70 ASP HB2 72 MET H 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1159, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 69 GLU HB3 70 ASP HB2 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1141, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 70 ASP HB2 74 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
# 37 TYR QE 70 ASP HB3 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 594, 599,
 &end
#
# 37 TYR QD 70 ASP HB3 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 592, 601,
 &end
#
# 37 TYR HB2 70 ASP HB3 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1142, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 69 GLU HB3 70 ASP HB3 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1142, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 70 ASP HB3 71 ALA QB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1153,1154,1155,
 &end
#
# 81 ASP H 81 ASP QB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1283,1284,
 &end
#
# 22 THR H 81 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1283,1284,
 &end
#
# 81 ASP QB 84 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1283,1284,
 &end
#
# 25 THR H 81 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1283,1284,
 &end
#
# 81 ASP QB 83 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1283,1284,
 &end
#
# 22 THR QG2 81 ASP QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 326, 327, 328,
 igr2=1283,1284,
 &end
#
# 81 ASP QB 82 GLY H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1283,1284,
 &end
#
# 81 ASP QB 83 ARG H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1283,1284,
 &end
#
# 81 ASP H 81 ASP QB 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1283,1284,
 &end
#
# 22 THR H 81 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1283,1284,
 &end
#
# 81 ASP QB 84 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1283,1284,
 &end
#
# 81 ASP QB 82 GLY H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1283,1284,
 &end
#
# 81 ASP QB 82 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1283,1284,
 &end
#
# 37 TYR HB2 62 PHE QE 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1015,1019,
 &end
#
# 34 PHE HA 37 TYR HB2 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 588, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 37 TYR HB2 67 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 TYR HB2 70 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HG2 37 TYR HB2 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 588, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 37 TYR HB3 71 ALA HA 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,1151, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 37 TYR HB3 71 ALA QB 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1153,1154,1155,
 &end
#
# 36 LYS HG2 37 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 TYR HB3 74 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
# 91 ARG QB 92 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1468, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
# 44 TYR QD 45 ILE HB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 695, 704,
 &end
#
# 3 TYR HB2 4 GLY H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  53, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 3 TYR HB3 4 GLY H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  53, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 2 SER HA 3 TYR HB3 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  37, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 45 ILE HB 46 PRO HD2 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 728, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 45 ILE HB 47 ARG QD 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 751, 752,
 &end
#
# 44 TYR HA 45 ILE HB 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 712, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 26 SER HA 45 ILE HB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 712, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 45 ILE HB 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 PRO HD2 45 ILE HB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 712, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 22 THR HB 23 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 342, 351,
 &end
#
# 22 THR HB 23 TYR H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 22 THR HB 25 THR H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 379, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 50 TYR HB2 51 THR H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 50 TYR H 50 TYR HB2 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 50 TYR HB2 51 THR HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 824, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 34 PHE HB3 71 ALA QB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1153,1154,1155,
 &end
#
# 49 ARG QB 50 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 781, 782,
 &end
#
# 50 TYR HB3 51 THR H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 822, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 49 ARG QB 50 TYR HB3 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 781, 782,
 &end
#
# 49 ARG QG 50 TYR HB3 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 784, 785,
 &end
#
# 50 TYR HB3 51 THR QG2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 828, 829, 830,
 &end
#
# 34 PHE HB2 71 ALA QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1153,1154,1155,
 &end
#
# 51 THR HB 52 LYS H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 51 THR HB 53 GLU QG 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 865, 866,
 &end
#
# 51 THR HB 52 LYS HB2 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 840, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 22 THR HB 24 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 THR HB 53 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 THR HB 15 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 211, 212,
 &end
#
# 19 ASP H 20 ASN HB2 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 291, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 20 ASN HB2 20 ASN HD22 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 20 ASN HB2 86 ARG H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1356, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 20 ASN HB2 20 ASN HD21 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 297, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 20 ASN HB2 86 ARG QG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1363,1364,
 &end
#
# 19 ASP HA 20 ASN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ASP H 20 ASN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN HB3 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN H 20 ASN HB3 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 20 ASN HB3 84 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN HB3 20 ASN HD22 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 20 ASN HB3 20 ASN HD21 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 20 ASN HB3 86 ARG HB2 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1360, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 35 GLU HG2 36 LYS HA 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 564, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 23 TYR HB2 54 SER QB 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 877, 878,
 &end
#
# 23 TYR HB2 24 ARG H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 23 TYR HB3 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 877, 878,
 &end
#
# 22 THR QG2 23 TYR HB3 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 326, 327, 328,
 &end
#
# 35 GLU HG2 40 VAL H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 636, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 34 PHE H 35 GLU HG2 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 554, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 35 GLU HG2 36 LYS H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 562, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 35 GLU HG2 39 ARG HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 614, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 32 ARG HA 35 GLU HG2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 554, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 31 ARG HA 35 GLU HG2 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 554, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 35 GLU HG2 40 VAL QQG 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HG3 40 VAL H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 636, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 34 PHE H 35 GLU HG3 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 555, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 35 GLU HG3 36 LYS H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 562, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 35 GLU HG3 39 ARG HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 614, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 35 GLU HG3 36 LYS HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 564, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 35 GLU HG3 36 LYS HB3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 567, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 69 GLU HA 69 GLU HG2 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1129, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 69 GLU HG2 89 MET QE 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1424,1425,1426,
 &end
#
# 69 GLU H 69 GLU HG3 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1130, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 65 LYS QG 69 GLU HG3 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,1062,
 &end
#
# 68 ALA QB 69 GLU HG3 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1116,1117,1118,
 &end
#
# 65 LYS HA 69 GLU HG3 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1130, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 68 ALA H 69 GLU HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 THR HB 81 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1283,1284,
 &end
#
# 11 GLU H 11 GLU QG 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 161, 162,
 &end
#
# 11 GLU HA 11 GLU QG 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 161, 162,
 &end
#
# 84 GLU HG2 85 LEU H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1337, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 77 GLY H 84 GLU HG2 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1329, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 84 GLU H 84 GLU HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN HD21 84 GLU HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL HA 84 GLU HG2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1329, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 84 GLU HA 84 GLU HG2 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1329, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 84 GLU HB2 84 GLU HG2 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1329, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 79 VAL QQG 84 GLU HG2 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU HG2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 78 ALA H 84 GLU HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL H 84 GLU HG3 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1330, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 84 GLU H 84 GLU HG3 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1330, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 79 VAL HA 84 GLU HG3 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1330, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 26 SER H 29 THR HB 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 434, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 28 ASP H 29 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 THR H 29 THR HB 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 29 THR HB 30 LEU HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 28 ASP QB 29 THR HB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 422, 423,
 &end
#
# 29 THR HB 30 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 THR HB 30 LEU HG 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 29 THR HB 30 LEU HB2 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 29 THR HB 31 ARG H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 463, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 53 GLU QG 54 SER H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 865, 866,
 &end
#
# 48 ASP QB 53 GLU QG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 769, 770,
 igr2= 865, 866,
 &end
#
# 11 GLU QB 11 GLU QG 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr1= 158, 159,
 igr2= 161, 162,
 &end
#
# 53 GLU HB2 53 GLU QG 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2= 865, 866,
 &end
#
# 53 GLU H 53 GLU QG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 865, 866,
 &end
#
# 23 TYR QD 53 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 342, 351,
 igr2= 865, 866,
 &end
#
# 53 GLU HA 53 GLU QG 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 865, 866,
 &end
#
# 53 GLU QG 54 SER HA 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 865, 866,
 &end
#
# 48 ASP QB 53 GLU QG 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 769, 770,
 igr2= 865, 866,
 &end
#
# 51 THR QG2 53 GLU QG 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 828, 829, 830,
 igr2= 865, 866,
 &end
#
# 43 VAL HB 44 TYR H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 687, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 17 LYS HB3 88 GLN HB2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1400, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 17 LYS HB3 17 LYS QE 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 250, 251,
 &end
#
# 16 LEU HA 17 LYS HB2 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 241, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 31 ARG HA 43 VAL HB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 675, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 72 MET HA 87 VAL HB 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1384, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 76 ASP QB 87 VAL HB 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1384, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1219,1220,
 &end
#
# 76 ASP QB 87 VAL HB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1384, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1219,1220,
 &end
#
# 43 VAL H 43 VAL HB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 27 PRO HA 43 VAL HB 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 675, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 43 VAL HB 60 VAL QQG 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 29 THR HA 31 ARG H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 463, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 28 ASP H 29 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 THR HA 32 ARG QD 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 497, 498,
 &end
#
# 28 ASP QB 29 THR HA 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 422, 423,
 &end
#
# 29 THR HA 29 THR QG2 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 436, 437, 438,
 &end
#
# 29 THR HA 33 VAL QG2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 521, 522, 523,
 &end
#
# 60 VAL HB 62 PHE QD 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1013,1021,
 &end
#
# 59 PHE HA 60 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HA 60 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 GLN HB2 89 MET HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 GLN HB3 88 GLN QE2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1408,1409,
 &end
#
# 88 GLN HB3 89 MET H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1413, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 60 VAL HB 61 ARG H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 981, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 60 VAL HB 62 PHE QE 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1015,1019,
 &end
#
# 43 VAL QQG 60 VAL HB 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 40 VAL QQG 60 VAL HB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 88 GLN HG3 88 GLN QE2 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1408,1409,
 &end
#
# 18 VAL HA 88 GLN HG3 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1404, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 88 GLN HB2 88 GLN HG3 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 88 GLN HB2 89 MET H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 88 GLN HB3 88 GLN QE2 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2=1408,1409,
 &end
#
# 88 GLN HB3 88 GLN HG3 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1404, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27 PRO HA 29 THR H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 26 SER HA 27 PRO HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 414, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 27 PRO HA 30 LEU HB3 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 449, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 27 PRO HA 31 ARG H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 463, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 27 PRO HA 30 LEU H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 444, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 26 SER QB 27 PRO HA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 397, 398,
 &end
#
# 27 PRO HA 30 LEU HG 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 451, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 27 PRO HA 45 ILE QG1 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 718, 719,
 &end
#
# 17 LYS H 88 GLN HG3 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1404, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 88 GLN H 88 GLN HG3 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,1404, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 88 GLN HG3 88 GLN QE2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1408,1409,
 &end
#
# 87 VAL HA 88 GLN HG3 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1404, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 87 VAL QQG 88 GLN HG3 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 17 LYS H 88 GLN HG2 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1403, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 86 ARG QD 88 GLN HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1366,1367,
 &end
#
# 88 GLN H 88 GLN HG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,1403, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 87 VAL HA 88 GLN HG2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1403, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 88 GLN HA 88 GLN HG2 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1403, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 19 ASP H 88 GLN HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 VAL H 88 GLN HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 MET H 13 MET QB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 180, 181,
 &end
#
# 13 MET QB 13 MET QE 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 180, 181,
 igr2= 187, 188, 189,
 &end
#
# 10 VAL QQG 13 MET QB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 180, 181,
 &end
#
# 13 MET H 13 MET QB 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 180, 181,
 &end
#
# 10 VAL HA 13 MET QB 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 180, 181,
 &end
#
# 13 MET QB 13 MET QE 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 180, 181,
 igr2= 187, 188, 189,
 &end
#
# 18 VAL HB 19 ASP H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 18 VAL HB 34 PHE HZ 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 539, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 18 VAL HB 60 VAL QQG 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL HB 59 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HA 40 VAL HB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 640, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 35 GLU HG3 40 VAL HB 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 640, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 15 SER QB 62 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 211, 212,
 &end
#
# 15 SER QB 16 LEU H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 211, 212,
 &end
#
# 15 SER QB 90 ALA H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 211, 212,
 &end
#
# 15 SER QB 16 LEU H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 211, 212,
 &end
#
# 10 VAL QQG 13 MET QB 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 180, 181,
 &end
#
# 20 ASN HD21 83 ARG QB 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1302,1303,
 &end
#
# 35 GLU H 40 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 ARG HA 40 VAL HB 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 640, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 18 VAL HB 60 VAL HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 967, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 83 ARG QB 84 GLU H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1302,1303,
 &end
#
# 20 ASN HD22 83 ARG QB 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1302,1303,
 &end
#
# 31 ARG HE 40 VAL HB 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 640, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 20 ASN HD21 83 ARG QB 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1302,1303,
 &end
#
# 65 LYS HB2 66 ARG H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1076, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 65 LYS HB2 66 ARG HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1078, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 83 ARG QB 84 GLU H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1302,1303,
 &end
#
# 65 LYS HB3 66 ARG H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1059,1076, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 64 ASP HA 65 LYS HB3 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 65 LYS HB3 65 LYS QE 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1067,1068,
 &end
#
# 14 THR QG2 65 LYS HB3 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 199, 200, 201,
 &end
#
# 25 THR HA 26 SER HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 395, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 25 THR HA 29 THR HB 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 434, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 25 THR HA 81 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1283,1284,
 &end
#
# 10 VAL HB 13 MET QE 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 187, 188, 189,
 &end
#
# 47 ARG QB 54 SER QB 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 745, 746,
 igr2= 877, 878,
 &end
#
# 47 ARG QB 48 ASP H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 745, 746,
 &end
#
# 47 ARG QB 55 ARG H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 745, 746,
 &end
#
# 47 ARG QB 48 ASP H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 745, 746,
 &end
#
# 47 ARG QB 47 ARG QD 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 745, 746,
 igr2= 751, 752,
 &end
#
# 25 THR QG2 26 SER QB 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 385, 386, 387,
 igr2= 397, 398,
 &end
#
# 26 SER QB 27 PRO HD3 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 397, 398,
 &end
#
# 89 MET H 89 MET HG2 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1420, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 89 MET HG2 91 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 LEU HA 89 MET HG2 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1420, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 88 GLN HA 89 MET HG2 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1420, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 89 MET HA 89 MET HG2 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1420, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 89 MET HG2 89 MET QE 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU QQD 89 MET HG2 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 89 MET HA 89 MET HG3 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1421, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 10 VAL QQG 89 MET HG3 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 89 MET QB 89 MET HG3 2.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,
 igr1=1417,1418,
 &end
#
# 10 VAL H 10 VAL HB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 142, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 20 ASN H 86 ARG HB2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 287,1360, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 79 VAL HB 80 LEU H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 26 SER QB 45 ILE QD1 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 397, 398,
 igr2= 721, 722, 723,
 &end
#
# 26 SER QB 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 397, 398,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 26 SER QB 30 LEU QQD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 397, 398,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 54 SER H 54 SER QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 877, 878,
 &end
#
# 54 SER HA 54 SER QB 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 877, 878,
 &end
#
# 53 GLU QG 54 SER QB 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 865, 866,
 igr2= 877, 878,
 &end
#
# 33 VAL HB 34 PHE QE 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 537, 541,
 &end
#
# 33 VAL HB 34 PHE H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 527, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 33 VAL HB 34 PHE QD 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 535, 543,
 &end
#
# 16 LEU HA 89 MET QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1417,1418,
 &end
#
# 88 GLN HA 89 MET QB 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1417,1418,
 &end
#
# 19 ASP H 86 ARG HB2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1360, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 86 ARG H 86 ARG HB2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1360, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 20 ASN HD21 86 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 ARG HB2 86 ARG QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1366,1367,
 &end
#
# 8 PRO HB2 9 ASP QB 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 130, 131,
 &end
#
# 18 VAL QQG 86 ARG HB2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 8 PRO HB2 10 VAL H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 138, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 86 ARG H 86 ARG HB3 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 18 VAL QQG 86 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 86 ARG HB3 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 19 ASP H 86 ARG HB3 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1361, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 86 ARG HB3 87 VAL H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1380, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 86 ARG HB3 88 GLN QE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1408,1409,
 &end
#
# 20 ASN HB2 86 ARG HB3 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1361, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 19 ASP QB 86 ARG HB3 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 279, 280,
 &end
#
# 54 SER QB 55 ARG H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 877, 878,
 &end
#
# 23 TYR QD 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 342, 351,
 igr2= 877, 878,
 &end
#
# 47 ARG QG 54 SER QB 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 748, 749,
 igr2= 877, 878,
 &end
#
# 54 SER QB 55 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 877, 878,
 igr2= 891, 892,
 &end
#
# 98 SER QB 99 HIS H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1567, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1560,1561,
 &end
#
# 98 SER HA 98 SER QB 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
 igr2=1560,1561,
 &end
#
# 98 SER H 98 SER QB 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1560,1561,
 &end
#
# 47 ARG QB 54 SER QB 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 745, 746,
 igr2= 877, 878,
 &end
#
# 53 GLU QG 54 SER QB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 865, 866,
 igr2= 877, 878,
 &end
#
# 54 SER H 54 SER QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 877, 878,
 &end
#
# 45 ILE QG2 54 SER QB 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 714, 715, 716,
 igr2= 877, 878,
 &end
#
# 97 ASP QB 98 SER QB 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1548,1549,
 igr2=1560,1561,
 &end
#
# 2 SER H 2 SER QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
# 30 LEU HA 33 VAL HB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 515, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 29 THR QG2 33 VAL HB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 436, 437, 438,
 &end
#
# 89 MET QB 91 ARG HA 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1442, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1417,1418,
 &end
#
# 35 GLU H 36 LYS HB3 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 36 LYS HB3 37 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 594, 599,
 &end
#
# 36 LYS HB3 37 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HB3 37 TYR H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 584, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 36 LYS HB3 37 TYR QD 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 592, 601,
 &end
#
# 32 ARG HA 36 LYS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HB3 36 LYS QE 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 575, 576,
 &end
#
# 36 LYS HB2 37 TYR H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 36 LYS HB2 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HB2 37 TYR QD 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 592, 601,
 &end
#
# 36 LYS H 36 LYS HB2 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 566, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 36 LYS HB2 37 TYR QE 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 594, 599,
 &end
#
# 32 ARG HA 36 LYS HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 2 SER QB 3 TYR QD 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  25,  26,
 igr2=  40,  49,
 &end
#
# 2 SER QB 3 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  25,  26,
 igr2=  42,  47,
 &end
#
# 2 SER HA 2 SER QB 2.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,
 igr2=  25,  26,
 &end
#
# 90 ALA H 91 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1444,1445,
 &end
#
# 91 ARG H 91 ARG QB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1444,1445,
 &end
#
# 91 ARG H 91 ARG QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1444,1445,
 &end
#
# 91 ARG QB 91 ARG QG 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=1444,1445,
 igr2=1447,1448,
 &end
#
# 8 PRO HA 10 VAL H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 138, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 8 PRO HA 10 VAL QQG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 72 MET HA 72 MET HG2 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1166, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 16 LEU QQD 72 MET HG2 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 72 MET HG3 74 ALA H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1188, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 72 MET H 72 MET HG3 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1167, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 72 MET HG3 73 ASP H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1176, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 72 MET HG3 87 VAL HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1382, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 72 MET HG3 87 VAL QQG 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 53 GLU H 53 GLU HB2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 862, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 91 ARG QB 92 TYR H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1444,1445,
 &end
#
# 91 ARG QB 91 ARG QD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1444,1445,
 igr2=1450,1451,
 &end
#
# 34 PHE HA 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 PHE HA 35 GLU HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 549, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 34 PHE HA 71 ALA HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,1151, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 34 PHE HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 14 THR HA 65 LYS H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1054, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 72 MET HG3 73 ASP HA 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1178, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 16 LEU QQD 72 MET HG3 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 53 GLU HB2 54 SER H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 873, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 53 GLU HB3 54 SER H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 873, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 55 ARG HB3 57 PHE QE 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 925, 929,
 &end
#
# 45 ILE H 46 PRO HA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 737, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 10 VAL HA 11 GLU H 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 154, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 10 VAL HA 13 MET QB 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 180, 181,
 &end
#
# 10 VAL HA 10 VAL HB 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 142, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 10 VAL HA 10 VAL QQG 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 39 ARG HA 39 ARG HB2 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 39 ARG HB2 39 ARG QD 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 622, 623,
 &end
#
# 5 ARG QB 6 PRO HD3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=  64,  65,
 &end
#
# 53 GLU HB3 53 GLU QG 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
 igr2= 865, 866,
 &end
#
# 39 ARG HB3 39 ARG QD 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 622, 623,
 &end
#
# 39 ARG HB3 39 ARG QG 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 619, 620,
 &end
#
# 45 ILE HA 46 PRO HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 737, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 46 PRO HA 47 ARG HA 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 743, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 39 ARG HB2 40 VAL H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 636, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 5 ARG H 5 ARG QB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=  64,  65,
 &end
#
# 5 ARG QB 5 ARG QD 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=  64,  65,
 igr2=  70,  71,
 &end
#
# 5 ARG HA 5 ARG QB 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2=  64,  65,
 &end
#
# 5 ARG QB 6 PRO HD2 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1=  64,  65,
 &end
#
# 24 ARG HB3 25 THR HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 381, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 39 ARG HB3 63 HIS HD2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,1038, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 39 ARG HB3 40 VAL QQG 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 49 ARG QB 50 TYR H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 781, 782,
 &end
#
# 24 ARG HB2 25 THR H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 379, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 49 ARG H 49 ARG QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 781, 782,
 &end
#
# 5 ARG QB 6 PRO HD3 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  64,  65,
 &end
#
# 49 ARG H 49 ARG QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 781, 782,
 &end
#
# 49 ARG QB 50 TYR H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 781, 782,
 &end
#
# 49 ARG QB 50 TYR QE 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 781, 782,
 igr2= 811, 816,
 &end
#
# 50 TYR HA 51 THR HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 824, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 41 GLY H 63 HIS HB3 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1030, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 31 ARG QB 32 ARG QD 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 467, 468,
 igr2= 497, 498,
 &end
#
# 31 ARG QB 35 GLU HG2 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 467, 468,
 &end
#
# 31 ARG QB 43 VAL QQG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 467, 468,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG QB 43 VAL QQG 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 467, 468,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 24 ARG HB3 24 ARG QD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 365, 366,
 &end
#
# 23 TYR QE 24 ARG HB2 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 344, 349,
 &end
#
# 50 TYR H 51 THR HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 824, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 51 THR HA 52 LYS QD 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 846, 847,
 &end
#
# 40 VAL HA 41 GLY HA2 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 654, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 40 VAL HA 60 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 VAL HA 41 GLY HA3 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 655, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 40 VAL HA 43 VAL QQG 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 40 VAL HA 40 VAL QQG 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL HA 60 VAL QQG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 35 GLU H 40 VAL HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 638, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 40 VAL HA 63 HIS HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 VAL H 11 GLU QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 158, 159,
 &end
#
# 11 GLU HA 11 GLU QB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 158, 159,
 &end
#
# 10 VAL QQG 11 GLU QB 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 158, 159,
 &end
#
# 11 GLU H 11 GLU QB 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 158, 159,
 &end
#
# 11 GLU QB 11 GLU QG 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr1= 158, 159,
 igr2= 161, 162,
 &end
#
# 20 ASN HD22 84 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 GLU HB2 85 LEU H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1337, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 79 VAL QQG 84 GLU HB2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU HB2 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 84 GLU HB3 85 LEU H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 84 GLU H 84 GLU HB3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1327, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 20 ASN HD22 84 GLU HB3 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1327, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 20 ASN HD21 84 GLU HB3 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1327, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 65 LYS HB2 65 LYS QD 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1064,1065,
 &end
#
# 65 LYS H 65 LYS QD 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1064,1065,
 &end
#
# 62 PHE HA 63 HIS HB3 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1030, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 99 HIS H 99 HIS QB 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1567,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1571,1572,
 &end
#
# 99 HIS QB 99 HIS HD2 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1=1571,1572,
 &end
#
# 64 ASP HA 65 LYS QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1064,1065,
 &end
#
# 64 ASP HA 65 LYS QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1064,1065,
 &end
#
# 65 LYS HA 65 LYS QD 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1064,1065,
 &end
#
# 65 LYS QG 65 LYS QD 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=1061,1062,
 igr2=1064,1065,
 &end
#
# 65 LYS H 65 LYS QD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1064,1065,
 &end
#
# 65 LYS QD 66 ARG H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1064,1065,
 &end
#
# 17 LYS HG2 59 PHE QE 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 955, 959,
 &end
#
# 17 LYS HG2 59 PHE HZ 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 957, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 17 LYS HG2 59 PHE QD 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 953, 961,
 &end
#
# 17 LYS HG2 92 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1474,1479,
 &end
#
# 17 LYS HG2 90 ALA HA 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1432, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 17 LYS HG2 17 LYS QE 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 250, 251,
 &end
#
# 17 LYS H 17 LYS HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LYS HG2 18 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LYS H 17 LYS HG3 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 245, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 17 LYS HG3 59 PHE QD 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 953, 961,
 &end
#
# 43 VAL H 60 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 VAL QQG 60 VAL HA 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 60 VAL HA 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 42 ASP H 60 VAL HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 967, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 66 ARG QB 68 ALA H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1080,1081,
 &end
#
# 65 LYS H 66 ARG QB 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1080,1081,
 &end
#
# 66 ARG QB 69 GLU H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1080,1081,
 &end
#
# 79 VAL HA 84 GLU HB3 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1327, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 79 VAL HA 84 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 65 LYS HA 66 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1080,1081,
 &end
#
# 66 ARG QB 66 ARG QD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1080,1081,
 igr2=1086,1087,
 &end
#
# 64 ASP HA 66 ARG QB 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1080,1081,
 &end
#
# 17 LYS H 87 VAL HA 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1382, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 18 VAL H 87 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 VAL HA 88 GLN H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1396, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 34 PHE HZ 87 VAL HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1382, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 86 ARG HB3 87 VAL HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1382, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 66 ARG HA 69 GLU HB3 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1127, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 67 ASP H 69 GLU HB2 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1126, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 68 ALA QB 69 GLU HB2 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1126, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1116,1117,1118,
 &end
#
# 18 VAL HA 88 GLN H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1396, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 18 VAL HA 87 VAL HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1382, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 18 VAL HA 19 ASP QB 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 279, 280,
 &end
#
# 18 VAL HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL HA 86 ARG H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1356, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 31 ARG HA 34 PHE H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 30 LEU HA 31 ARG HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 465, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 31 ARG HA 32 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HA 34 PHE HB2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 531, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 31 ARG HA 33 VAL HB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 515, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 31 ARG HA 31 ARG HG3 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 471, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 35 GLU HB3 40 VAL H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 636, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 34 PHE H 35 GLU HB3 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 552, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 32 ARG HA 35 GLU HB3 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 552, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 34 PHE HB3 35 GLU HB3 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 552, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 32 ARG HA 35 GLU HB2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 551, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 35 GLU H 35 GLU HB2 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 52 LYS H 52 LYS QD 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 846, 847,
 &end
#
# 52 LYS HA 52 LYS QD 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 846, 847,
 &end
#
# 52 LYS HB2 52 LYS QD 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 846, 847,
 &end
#
# 52 LYS HB3 52 LYS QD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 846, 847,
 &end
#
# 52 LYS QG 52 LYS QD 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 843, 844,
 igr2= 846, 847,
 &end
#
# 52 LYS HB2 52 LYS QD 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 846, 847,
 &end
#
# 52 LYS HB3 52 LYS QD 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 846, 847,
 &end
#
# 36 LYS HD2 37 TYR QD 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 592, 601,
 &end
#
# 36 LYS H 36 LYS HD2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 36 LYS HD2 37 TYR QE 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 594, 599,
 &end
#
# 34 PHE HA 36 LYS HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 VAL QG1 36 LYS HD2 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 517, 518, 519,
 &end
#
# 36 LYS HD2 37 TYR H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 584, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 33 VAL HA 36 LYS HD2 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 572, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 36 LYS HG2 36 LYS HD2 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 572, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 36 LYS HD3 37 TYR QD 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 592, 601,
 &end
#
# 36 LYS H 36 LYS HD3 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 573, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 33 VAL HA 36 LYS HD3 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 573, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 36 LYS HG2 36 LYS HD3 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 26 SER HA 27 PRO HG2 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 408, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 26 SER QB 27 PRO HG2 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 397, 398,
 &end
#
# 27 PRO HG2 28 ASP HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 27 PRO HG2 45 ILE HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 PRO HG2 45 ILE QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 718, 719,
 &end
#
# 27 PRO HG2 43 VAL QQG 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 27 PRO HG2 45 ILE QD1 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO HG3 45 ILE H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 27 PRO HG3 43 VAL QQG 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 27 PRO HG3 45 ILE QG1 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 718, 719,
 &end
#
# 64 ASP QB 65 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
# 65 LYS HA 67 ASP H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1100, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 14 THR QG2 65 LYS HA 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 199, 200, 201,
 &end
#
# 64 ASP HA 65 LYS HA 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1056, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 69 GLU HA 73 ASP H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1176, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 68 ALA H 69 GLU HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1124, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 72 MET HA 87 VAL HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1382, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 72 MET HA 73 ASP HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 72 MET HA 76 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1219,1220,
 &end
#
# 72 MET HA 72 MET HG3 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1167, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 68 ALA QB 69 GLU HA 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1116,1117,1118,
 &end
#
# 32 ARG QG 33 VAL QG1 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 494, 495,
 igr2= 517, 518, 519,
 &end
#
# 31 ARG H 32 ARG QG 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 494, 495,
 &end
#
# 32 ARG H 32 ARG QG 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 494, 495,
 &end
#
# 32 ARG HA 32 ARG QG 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 494, 495,
 &end
#
# 29 THR HA 32 ARG QG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 494, 495,
 &end
#
# 31 ARG HA 32 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
# 32 ARG QG 32 ARG QD 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr1= 494, 495,
 igr2= 497, 498,
 &end
#
# 32 ARG QB 32 ARG QG 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1= 491, 492,
 igr2= 494, 495,
 &end
#
# 29 THR QG2 32 ARG QG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 436, 437, 438,
 igr2= 494, 495,
 &end
#
# 32 ARG H 32 ARG QG 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 494, 495,
 &end
#
# 32 ARG HA 32 ARG QG 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 494, 495,
 &end
#
# 29 THR HA 32 ARG QG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 494, 495,
 &end
#
# 32 ARG QB 32 ARG QG 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1= 491, 492,
 igr2= 494, 495,
 &end
#
# 31 ARG HG2 32 ARG H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 487, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 31 ARG HA 31 ARG HG2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 31 ARG HG2 40 VAL QQG 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG HG3 32 ARG H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 487, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 31 ARG H 31 ARG HG3 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 471, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 28 ASP HA 31 ARG HG3 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 471, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 31 ARG HG3 32 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 ARG HG3 40 VAL QQG 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 65 LYS HA 69 GLU H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1122, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 72 MET HA 87 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 MET HA 72 MET HB2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1163, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 28 ASP HA 32 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
# 29 THR HB 32 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
# 32 ARG HA 34 PHE H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 527, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 32 ARG HA 35 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 ARG HA 35 GLU HG3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 555, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 32 ARG HA 32 ARG QB 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 491, 492,
 &end
#
# 32 ARG HA 33 VAL QG2 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 521, 522, 523,
 &end
#
# 32 ARG HA 40 VAL QQG 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 8 PRO QG 9 ASP H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 116, 117,
 &end
#
# 8 PRO QG 10 VAL QQG 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 116, 117,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 47 ARG QG 54 SER HA 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 748, 749,
 &end
#
# 47 ARG QG 54 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 748, 749,
 igr2= 877, 878,
 &end
#
# 45 ILE QG1 59 PHE H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 718, 719,
 &end
#
# 23 TYR HA 23 TYR QE 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 344, 349,
 &end
#
# 23 TYR HA 54 SER QB 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 877, 878,
 &end
#
# 32 ARG HA 33 VAL HA 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 513, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 32 ARG HA 36 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN HD22 86 ARG QG 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1363,1364,
 &end
#
# 39 ARG HA 39 ARG QG 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 619, 620,
 &end
#
# 47 ARG QG 48 ASP H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 748, 749,
 &end
#
# 55 ARG QG 56 GLY H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 891, 892,
 &end
#
# 55 ARG HA 55 ARG QG 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 891, 892,
 &end
#
# 83 ARG HG2 84 GLU H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1322, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 47 ARG QG 54 SER QB 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 748, 749,
 igr2= 877, 878,
 &end
#
# 45 ILE QG1 58 ALA QB 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 718, 719,
 igr2= 939, 940, 941,
 &end
#
# 44 TYR HA 45 ILE QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 718, 719,
 &end
#
# 21 LEU QD2 58 ALA H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 314, 315, 316,
 &end
#
# 21 LEU QD2 22 THR H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 314, 315, 316,
 &end
#
# 21 LEU QD2 26 SER H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 314, 315, 316,
 &end
#
# 21 LEU QD2 57 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 314, 315, 316,
 igr2= 923, 931,
 &end
#
# 21 LEU QD2 57 PHE HA 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 314, 315, 316,
 &end
#
# 19 ASP HA 21 LEU QD2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 314, 315, 316,
 &end
#
# 21 LEU QD2 58 ALA HA 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 314, 315, 316,
 &end
#
# 21 LEU HA 21 LEU QD2 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 314, 315, 316,
 &end
#
# 20 ASN HB2 21 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 314, 315, 316,
 &end
#
# 21 LEU QD2 56 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 314, 315, 316,
 igr2= 910, 911,
 &end
#
# 21 LEU QD2 57 PHE HB2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 314, 315, 316,
 &end
#
# 21 LEU QD2 57 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 314, 315, 316,
 &end
#
# 21 LEU QD2 58 ALA QB 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 314, 315, 316,
 igr2= 939, 940, 941,
 &end
#
# 36 LYS H 37 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 TYR HA 37 TYR QD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 592, 601,
 &end
#
# 36 LYS HB2 37 TYR HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 TYR HA 24 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 ARG QG 41 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 619, 620,
 &end
#
# 39 ARG QG 40 VAL H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 619, 620,
 &end
#
# 82 GLY H 83 ARG HG3 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1306, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 39 ARG QG 63 HIS HD2 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 619, 620,
 &end
#
# 39 ARG HA 39 ARG QG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 619, 620,
 &end
#
# 39 ARG QG 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 83 ARG HG3 84 GLU H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1322, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 35 GLU HA 39 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 619, 620,
 &end
#
# 64 ASP HA 66 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
# 66 ARG QG 66 ARG QD 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1=1083,1084,
 igr2=1086,1087,
 &end
#
# 86 ARG HA 86 ARG QG 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1363,1364,
 &end
#
# 20 ASN HB3 86 ARG QG 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1363,1364,
 &end
#
# 39 ARG QG 40 VAL H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 619, 620,
 &end
#
# 39 ARG QG 39 ARG QD 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
# 55 ARG QG 57 PHE QD 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 891, 892,
 igr2= 923, 931,
 &end
#
# 47 ARG HA 55 ARG QG 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 891, 892,
 &end
#
# 22 THR H 83 ARG HG2 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,1305, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 20 ASN HD21 83 ARG HG2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1305, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 82 GLY HA3 83 ARG HG2 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1305, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 65 LYS H 66 ARG HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1078, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 66 ARG HA 69 GLU H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1122, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 66 ARG HA 67 ASP HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1102, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 66 ARG HA 69 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 ARG HA 69 GLU HG3 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1130, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 66 ARG HA 66 ARG QB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2=1080,1081,
 &end
#
# 66 ARG HA 68 ALA H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1112, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 66 ARG HA 68 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1116,1117,1118,
 &end
#
# 85 LEU HA 86 ARG QG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1363,1364,
 &end
#
# 49 ARG H 49 ARG QG 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 784, 785,
 &end
#
# 49 ARG QG 50 TYR H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 784, 785,
 &end
#
# 49 ARG QG 50 TYR QE 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 784, 785,
 igr2= 811, 816,
 &end
#
# 16 LEU QQD 17 LYS H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 60 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 71 ALA H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 62 PHE QD 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1013,1021,
 &end
#
# 16 LEU QQD 34 PHE QE 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 537, 541,
 &end
#
# 16 LEU HA 16 LEU QQD 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 89 MET HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 65 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HA 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 68 ALA HA 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 60 VAL QQG 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 45 ILE HA 58 ALA HA 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 937, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 54 SER HA 55 ARG H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 884, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 47 ARG QD 54 SER HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 751, 752,
 &end
#
# 49 ARG HA 49 ARG QG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 784, 785,
 &end
#
# 49 ARG QG 49 ARG QD 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1= 784, 785,
 igr2= 787, 788,
 &end
#
# 49 ARG H 49 ARG QG 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 784, 785,
 &end
#
# 49 ARG QG 50 TYR H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 784, 785,
 &end
#
# 49 ARG QG 50 TYR QD 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 784, 785,
 igr2= 809, 818,
 &end
#
# 49 ARG QG 49 ARG QD 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 784, 785,
 igr2= 787, 788,
 &end
#
# 80 LEU QQD 81 ASP H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP QB 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 33 VAL HB 80 LEU QQD 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 85 LEU HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QB 80 LEU QQD 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 15 SER HA 64 ASP H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1042, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 15 SER HA 65 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 SER HA 61 ARG QG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 988, 989,
 &end
#
# 15 SER HA 61 ARG QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 985, 986,
 &end
#
# 53 GLU HB2 54 SER HA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 875, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 54 SER HA 55 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 ARG QG 54 SER HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 748, 749,
 &end
#
# 54 SER HA 55 ARG QG 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 891, 892,
 &end
#
# 35 GLU HA 36 LYS HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 35 GLU H 36 LYS HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 36 LYS HA 38 GLY H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 605, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 36 LYS HA 37 TYR QD 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 592, 601,
 &end
#
# 36 LYS HA 36 LYS QE 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 575, 576,
 &end
#
# 35 GLU HB3 36 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HA 36 LYS HB2 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 24 ARG QG 25 THR H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 362, 363,
 &end
#
# 24 ARG H 24 ARG QG 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 362, 363,
 &end
#
# 23 TYR QE 24 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 344, 349,
 igr2= 362, 363,
 &end
#
# 24 ARG QG 25 THR HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 362, 363,
 &end
#
# 23 TYR QE 24 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 344, 349,
 igr2= 362, 363,
 &end
#
# 3 TYR HA 4 GLY QA 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=  55,  56,
 &end
#
# 3 TYR HA 3 TYR HB2 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  36, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
# 3 TYR HA 3 TYR HB3 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  37, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 15 SER QB 92 TYR HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 211, 212,
 &end
#
# 51 THR H 52 LYS HA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 48 ASP QB 52 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
# 36 LYS HA 37 TYR HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 586, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 24 ARG QG 26 SER QB 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 362, 363,
 igr2= 397, 398,
 &end
#
# 18 VAL H 58 ALA QB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 939, 940, 941,
 &end
#
# 58 ALA QB 59 PHE H 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 939, 940, 941,
 &end
#
# 58 ALA H 58 ALA QB 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE H 58 ALA QB 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 939, 940, 941,
 &end
#
# 21 LEU H 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 58 ALA QB 59 PHE HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 939, 940, 941,
 &end
#
# 57 PHE HA 58 ALA QB 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 939, 940, 941,
 &end
#
# 46 PRO HD2 58 ALA QB 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 939, 940, 941,
 &end
#
# 58 ALA QB 59 PHE QB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 939, 940, 941,
 igr2= 949, 950,
 &end
#
# 18 VAL HB 58 ALA QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
# 30 LEU QQD 58 ALA QB 2.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 939, 940, 941,
 &end
#
# 34 PHE H 35 GLU HA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 549, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 35 GLU HA 37 TYR H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 584, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 35 GLU HA 62 PHE QE 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1015,1019,
 &end
#
# 35 GLU HA 38 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HA 35 GLU HG3 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 555, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 35 GLU HA 39 ARG H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 612, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 41 GLY H 62 PHE HA 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1007, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 92 TYR HA 92 TYR QD 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1472,1481,
 &end
#
# 92 TYR HA 92 TYR QE 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1474,1479,
 &end
#
# 91 ARG QB 92 TYR HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1444,1445,
 &end
#
# 91 ARG QG 92 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1447,1448,
 &end
#
# 90 ALA QB 92 TYR HA 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1434,1435,1436,
 &end
#
# 76 ASP HA 86 ARG HA 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1358, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 76 ASP HA 85 LEU HB3 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1342, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 75 MET HA 76 ASP HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 30 LEU HA 30 LEU QQD 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU HA 60 VAL QQG 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU HA 30 LEU HG 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 52 LYS HA 52 LYS QD 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 846, 847,
 &end
#
# 17 LYS HD2 57 PHE QD 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 923, 931,
 &end
#
# 31 ARG HD3 35 GLU HA 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 549, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 39 ARG HA 41 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU H 39 ARG HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 614, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 11 GLU HA 11 GLU QB 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2= 158, 159,
 &end
#
# 10 VAL QQG 11 GLU HA 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 17 LYS HD2 59 PHE QB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 949, 950,
 &end
#
# 17 LYS HD2 19 ASP H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 275, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 19 ASP H 85 LEU QQD 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU QD1 58 ALA H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 310, 311, 312,
 &end
#
# 77 GLY H 85 LEU QQD 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 79 VAL H 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 34 PHE HZ 85 LEU QQD 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QQD 87 VAL HA 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HA 85 LEU QQD 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB3 85 LEU QQD 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HB3 85 LEU QQD 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 17 LYS HD3 18 VAL H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 259, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 17 LYS HD3 59 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 953, 961,
 &end
#
# 17 LYS HD3 92 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1474,1479,
 &end
#
# 17 LYS HA 17 LYS HD3 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 248, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 17 LYS HD3 60 VAL H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 965, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 28 ASP HA 30 LEU H 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 444, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 27 PRO HA 28 ASP HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 420, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 39 ARG HA 39 ARG QD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 622, 623,
 &end
#
# 39 ARG HA 40 VAL QQG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 51 THR HA 52 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 843, 844,
 &end
#
# 52 LYS H 52 LYS QG 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 843, 844,
 &end
#
# 52 LYS H 52 LYS QG 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 843, 844,
 &end
#
# 51 THR HA 52 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 843, 844,
 &end
#
# 52 LYS HA 52 LYS QG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 843, 844,
 &end
#
# 52 LYS QG 52 LYS QD 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 843, 844,
 igr2= 846, 847,
 &end
#
# 20 ASN HB2 85 LEU QQD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU QD1 56 GLY QA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 310, 311, 312,
 igr2= 910, 911,
 &end
#
# 28 ASP HA 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 28 ASP HA 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 39 ARG HA 40 VAL HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 67 ASP HA 70 ASP H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1137, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 38 GLY H 67 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 ARG QB 67 ASP HA 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1080,1081,
 &end
#
# 74 ALA H 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 21 LEU QD1 26 SER H 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 310, 311, 312,
 &end
#
# 21 LEU QD1 45 ILE HA 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 310, 311, 312,
 &end
#
# 21 LEU QD1 57 PHE HB2 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 310, 311, 312,
 &end
#
# 21 LEU QD1 46 PRO HD3 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 310, 311, 312,
 &end
#
# 73 ASP HA 74 ALA QB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1192,1193,1194,
 &end
#
# 73 ASP HA 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 17 LYS H 87 VAL QQG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 60 VAL H 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET H 87 VAL QQG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET H 87 VAL QQG 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP H 87 VAL QQG 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE QD 87 VAL QQG 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 535, 543,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE HZ 87 VAL QQG 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL HA 87 VAL QQG 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL HA 87 VAL QQG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP HA 87 VAL QQG 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HA 87 VAL QQG 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HB3 87 VAL QQG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HB2 87 VAL QQG 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 60 VAL QQG 87 VAL QQG 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 21 LEU QD1 57 PHE HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 310, 311, 312,
 &end
#
# 19 ASP HA 21 LEU QD1 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 310, 311, 312,
 &end
#
# 21 LEU QD1 25 THR HB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 310, 311, 312,
 &end
#
# 18 VAL H 59 PHE HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 947, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 18 VAL QQG 59 PHE HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 59 PHE HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 79 VAL HB 84 GLU HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1324, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 65 LYS QG 69 GLU HG2 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1061,1062,
 &end
#
# 14 THR QG2 65 LYS QG 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 199, 200, 201,
 igr2=1061,1062,
 &end
#
# 65 LYS QG 67 ASP H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1061,1062,
 &end
#
# 14 THR HA 65 LYS QG 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1061,1062,
 &end
#
# 65 LYS QG 66 ARG HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1061,1062,
 &end
#
# 65 LYS HA 65 LYS QG 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1061,1062,
 &end
#
# 65 LYS QG 66 ARG QD 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=1061,1062,
 igr2=1086,1087,
 &end
#
# 34 PHE HA 36 LYS HG2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 569, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 35 GLU H 36 LYS HG2 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 569, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 36 LYS HG2 37 TYR QE 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 594, 599,
 &end
#
# 35 GLU HA 36 LYS HG2 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 569, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 36 LYS HG2 37 TYR HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 586, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 32 ARG HA 36 LYS HG2 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 569, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 33 VAL HA 36 LYS HG2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 569, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 36 LYS HG2 36 LYS QE 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 575, 576,
 &end
#
# 36 LYS HB3 36 LYS HG2 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 87 VAL QQG 89 MET H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 36 LYS HG3 37 TYR H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 584, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 36 LYS HG3 38 GLY H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 605, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 36 LYS HG3 37 TYR QD 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 592, 601,
 &end
#
# 36 LYS H 36 LYS HG3 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 570, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 36 LYS HG3 36 LYS HD3 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 573, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 36 LYS HG3 37 TYR HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 586, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 30 LEU QQD 60 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 34 PHE QD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 535, 543,
 &end
#
# 30 LEU QQD 34 PHE QE 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 537, 541,
 &end
#
# 30 LEU QQD 43 VAL HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 29 THR HB 30 LEU QQD 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 27 PRO HA 30 LEU QQD 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 31 ARG HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 34 PHE HB2 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 59 PHE QB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 949, 950,
 &end
#
# 28 ASP QB 30 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 422, 423,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 60 VAL QQG 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 78 ALA H 84 GLU HA 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1324, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 84 GLU HA 84 GLU HB2 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1326, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 79 VAL HA 84 GLU HA 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1324, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 84 GLU H 84 GLU HA 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1324, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 24 ARG HA 26 SER QB 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 397, 398,
 &end
#
# 80 LEU QQD 81 ASP H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU H 80 LEU QQD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 82 GLY H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP HA 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP QB 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 33 VAL HB 80 LEU QQD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 84 GLU HA 84 GLU HG3 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1330, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 82 GLY H 84 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TYR H 24 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TYR QD 24 ARG HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 342, 351,
 &end
#
# 23 TYR QE 24 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 344, 349,
 &end
#
# 24 ARG HA 24 ARG QD 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 365, 366,
 &end
#
# 24 ARG HA 24 ARG HB2 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 24 ARG HA 24 ARG QG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 362, 363,
 &end
#
# 24 ARG HA 24 ARG QG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 362, 363,
 &end
#
# 24 ARG HA 26 SER H 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 393, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 30 LEU QQD 44 TYR HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 26 SER HA 27 PRO HD2 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 405, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 26 SER HA 27 PRO HD3 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 406, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 26 SER HA 28 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 422, 423,
 &end
#
# 26 SER HA 27 PRO HG3 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 409, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 16 LEU QQD 17 LYS H 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 34 PHE QE 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 537, 541,
 &end
#
# 16 LEU HA 16 LEU QQD 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 89 MET HA 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 69 GLU HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HB2 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QB 16 LEU QQD 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 222, 223,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 87 VAL QQG 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 85 LEU HA 86 ARG QD 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1366,1367,
 &end
#
# 16 LEU QQD 62 PHE QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1013,1021,
 &end
#
# 17 LYS HA 59 PHE QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 949, 950,
 &end
#
# 17 LYS HA 17 LYS HD2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 26 SER HA 30 LEU QQD 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 20 ASN HB2 85 LEU HA 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1339, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 20 ASN HB3 85 LEU HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 61 ARG HA 62 PHE QD 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1013,1021,
 &end
#
# 15 SER HA 61 ARG HA 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 983, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 60 VAL QQG 61 ARG HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 80 LEU H 81 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 ASP HA 83 ARG H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1298, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 81 ASP HA 82 GLY HA3 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1294, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 81 ASP HA 82 GLY HA2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1293, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 80 LEU HG 81 ASP HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1267,1281, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 22 THR QG2 25 THR H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 326, 327, 328,
 &end
#
# 22 THR QG2 23 TYR QE 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 326, 327, 328,
 igr2= 344, 349,
 &end
#
# 22 THR QG2 24 ARG HA 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 326, 327, 328,
 &end
#
# 22 THR QG2 81 ASP HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 326, 327, 328,
 &end
#
# 18 VAL QQG 19 ASP H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL H 18 VAL QQG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 20 ASN H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 88 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 34 PHE HZ 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 57 PHE HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 87 VAL HA 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL HA 18 VAL QQG 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 85 LEU HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 30 LEU HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 58 ALA H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 60 VAL H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 34 PHE QD 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 535, 543,
 &end
#
# 18 VAL QQG 57 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 19 ASP QB 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 279, 280,
 &end
#
# 16 LEU QQD 61 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 48 ASP HA 51 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 ASP HA 49 ARG H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 777, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 48 ASP HA 50 TYR H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 801, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 48 ASP HA 55 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 ASP HA 50 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 809, 818,
 &end
#
# 48 ASP HA 49 ARG HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 779, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 48 ASP HA 49 ARG QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 781, 782,
 &end
#
# 47 ARG QG 48 ASP HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 748, 749,
 &end
#
# 22 THR QG2 81 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 326, 327, 328,
 &end
#
# 22 THR QG2 23 TYR H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 326, 327, 328,
 &end
#
# 22 THR H 22 THR QG2 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 326, 327, 328,
 &end
#
# 22 THR QG2 25 THR HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 326, 327, 328,
 &end
#
# 22 THR QG2 25 THR HB 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 326, 327, 328,
 &end
#
# 22 THR QG2 24 ARG HB2 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 326, 327, 328,
 &end
#
# 18 VAL QQG 20 ASN HB2 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 85 LEU H 85 LEU QQD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 58 ALA H 85 LEU QQD 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU H 85 LEU QQD 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN H 85 LEU QQD 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HD22 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU H 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QQD 86 ARG H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 83 ARG H 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 34 PHE HZ 85 LEU QQD 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HD21 85 LEU QQD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QQD 86 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU QQD 87 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HA 85 LEU QQD 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU HA 85 LEU QQD 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB2 85 LEU QQD 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 83 ARG QD 85 LEU QQD 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1308,1309,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB3 85 LEU QQD 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HB3 85 LEU QQD 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 18 VAL QQG 85 LEU QQD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 77 GLY HA3 86 ARG HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1358, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 76 ASP QB 86 ARG HA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1219,1220,
 &end
#
# 86 ARG HA 87 VAL QQG 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 85 LEU QQD 86 ARG HA 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 68 ALA HA 72 MET HB2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1163, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 68 ALA HA 89 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1424,1425,1426,
 &end
#
# 68 ALA HA 69 GLU HA 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1124, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 71 ALA HA 72 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 68 ALA HA 72 MET H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1159, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 37 TYR QD 71 ALA HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 592, 601,
 &end
#
# 62 PHE QD 68 ALA HA 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1013,1021,
 &end
#
# 67 ASP HB3 68 ALA HA 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1114, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 70 ASP HB2 71 ALA HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1151, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 70 ASP HA 71 ALA HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1151, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 37 TYR HB2 71 ALA HA 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1151, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 87 VAL H 87 VAL QQG 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 77 GLY H 87 VAL QQG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL QQG 88 GLN H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET H 87 VAL QQG 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP H 87 VAL QQG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 86 ARG H 87 VAL QQG 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 74 ALA H 87 VAL QQG 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE HZ 87 VAL QQG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL HA 87 VAL QQG 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL QQG 88 GLN HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP HA 87 VAL QQG 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HA 87 VAL QQG 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP QB 87 VAL QQG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1219,1220,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 40 VAL QQG 62 PHE HA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 14 THR QG2 16 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 64 ASP H 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 65 LYS H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 15 SER HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 15 SER QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 199, 200, 201,
 igr2= 211, 212,
 &end
#
# 14 THR QG2 62 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 14 THR HA 14 THR QG2 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 199, 200, 201,
 &end
#
# 14 THR QG2 65 LYS HB2 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 199, 200, 201,
 &end
#
# 33 VAL H 33 VAL QG2 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 521, 522, 523,
 &end
#
# 33 VAL QG2 37 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 521, 522, 523,
 igr2= 594, 599,
 &end
#
# 30 LEU HA 33 VAL QG2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 521, 522, 523,
 &end
#
# 33 VAL HA 33 VAL QG2 2.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 521, 522, 523,
 &end
#
# 32 ARG QD 33 VAL QG2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 497, 498,
 igr2= 521, 522, 523,
 &end
#
# 33 VAL QG2 36 LYS QE 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 521, 522, 523,
 igr2= 575, 576,
 &end
#
# 32 ARG QG 33 VAL QG2 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 494, 495,
 igr2= 521, 522, 523,
 &end
#
# 33 VAL QG2 36 LYS HD2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 521, 522, 523,
 &end
#
# 33 VAL QG2 75 MET QE 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 521, 522, 523,
 igr2=1209,1210,1211,
 &end
#
# 29 THR QG2 33 VAL QG2 2.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 436, 437, 438,
 igr2= 521, 522, 523,
 &end
#
# 33 VAL QG2 80 LEU QQD 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 521, 522, 523,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 40 VAL QQG 62 PHE QE 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1015,1019,
 &end
#
# 40 VAL QQG 41 GLY H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL H 40 VAL QQG 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 61 ARG H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 62 PHE QD 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1013,1021,
 &end
#
# 35 GLU HA 40 VAL QQG 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 42 ASP HA 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 43 VAL HA 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 60 VAL HA 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL HA 40 VAL QQG 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG HD3 40 VAL QQG 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE HB2 40 VAL QQG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 60 VAL QQG 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL QQG 60 VAL QQG 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL H 40 VAL QQG 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU H 40 VAL QQG 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE H 40 VAL QQG 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 39 ARG H 40 VAL QQG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE QD 40 VAL QQG 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 535, 543,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 62 PHE QE 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1015,1019,
 &end
#
# 35 GLU HA 40 VAL QQG 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE HA 40 VAL QQG 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG HA 40 VAL QQG 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE HB3 40 VAL QQG 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE HB2 40 VAL QQG 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HG3 40 VAL QQG 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HB3 40 VAL QQG 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HB2 40 VAL QQG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 60 VAL QQG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 3 TYR QD 5 ARG HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  40,  49,
 &end
#
# 20 ASN HA 20 ASN HD21 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 21 LEU HA 21 LEU QD1 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 310, 311, 312,
 &end
#
# 37 TYR QE 74 ALA HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 594, 599,
 &end
#
# 73 ASP QB 74 ALA HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1180,1181,
 &end
#
# 25 THR QG2 30 LEU H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 385, 386, 387,
 &end
#
# 25 THR H 25 THR QG2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 385, 386, 387,
 &end
#
# 25 THR QG2 34 PHE QE 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1= 385, 386, 387,
 igr2= 537, 541,
 &end
#
# 25 THR QG2 26 SER HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 385, 386, 387,
 &end
#
# 25 THR QG2 29 THR HB 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 385, 386, 387,
 &end
#
# 25 THR HA 25 THR QG2 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 385, 386, 387,
 &end
#
# 25 THR QG2 30 LEU HG 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 385, 386, 387,
 &end
#
# 30 LEU H 43 VAL QQG 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 44 TYR HA 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 27 PRO HA 43 VAL QQG 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 60 VAL QQG 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL QQG 44 TYR QD 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 695, 704,
 &end
#
# 79 VAL QQG 85 LEU H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL H 79 VAL QQG 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 31 ARG HE 43 VAL QQG 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL HA 43 VAL QQG 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL HA 43 VAL QQG 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 79 VAL QQG 84 GLU HA 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 17 LYS H 88 GLN HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1398, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 87 VAL HA 88 GLN HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1398, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 88 GLN HA 88 GLN HB2 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1400, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 87 VAL QQG 88 GLN HA 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 88 GLN HA 89 MET HG3 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1421, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 5 ARG HA 5 ARG QD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=  70,  71,
 &end
#
# 5 ARG HA 5 ARG QB 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2=  64,  65,
 &end
#
# 83 ARG HA 83 ARG HG2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1305, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 20 ASN HA 57 PHE H 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 915, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 20 ASN HA 20 ASN HD22 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 20 ASN HA 21 LEU QD2 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 314, 315, 316,
 &end
#
# 20 ASN H 21 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 ARG H 51 THR QG2 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR H 51 THR QG2 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 828, 829, 830,
 &end
#
# 51 THR QG2 52 LYS H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 828, 829, 830,
 &end
#
# 31 ARG HG2 43 VAL QQG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG H 43 VAL QQG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL H 43 VAL QQG 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG HA 43 VAL QQG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG HA 43 VAL QQG 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU HB2 43 VAL QQG 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 60 VAL HB 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 40 VAL QQG 43 VAL QQG 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 18 VAL QQG 88 GLN H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 59 PHE HA 60 VAL QQG 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 59 PHE H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL H 60 VAL QQG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 61 ARG H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QD 60 VAL QQG 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 535, 543,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 42 ASP H 60 VAL QQG 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 62 PHE QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1013,1021,
 &end
#
# 60 VAL QQG 62 PHE QE 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1015,1019,
 &end
#
# 43 VAL HA 60 VAL QQG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL HA 60 VAL QQG 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB3 60 VAL QQG 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB2 60 VAL QQG 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HZ 75 MET HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1200, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 75 MET HA 76 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1219,1220,
 &end
#
# 75 MET HA 87 VAL QQG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 33 VAL QG1 75 MET HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 517, 518, 519,
 &end
#
# 75 MET HA 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 51 THR H 51 THR QG2 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR QD 51 THR QG2 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 809, 818,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR QE 51 THR QG2 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 811, 816,
 igr2= 828, 829, 830,
 &end
#
# 33 VAL QG1 35 GLU H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 517, 518, 519,
 &end
#
# 33 VAL QG1 34 PHE H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 517, 518, 519,
 &end
#
# 33 VAL QG1 34 PHE QD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 517, 518, 519,
 igr2= 535, 543,
 &end
#
# 33 VAL QG1 37 TYR QD 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 517, 518, 519,
 igr2= 592, 601,
 &end
#
# 33 VAL QG1 34 PHE QE 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 517, 518, 519,
 igr2= 537, 541,
 &end
#
# 33 VAL QG1 37 TYR QE 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 517, 518, 519,
 igr2= 594, 599,
 &end
#
# 33 VAL QG1 34 PHE HA 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 517, 518, 519,
 &end
#
# 30 LEU HA 33 VAL QG1 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 517, 518, 519,
 &end
#
# 33 VAL HA 33 VAL QG1 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 517, 518, 519,
 &end
#
# 33 VAL QG1 34 PHE HB2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 517, 518, 519,
 &end
#
# 33 VAL QG1 80 LEU QB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 517, 518, 519,
 igr2=1264,1265,
 &end
#
# 29 THR QG2 33 VAL QG1 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 436, 437, 438,
 igr2= 517, 518, 519,
 &end
#
# 33 VAL QG1 80 LEU QQD 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 517, 518, 519,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 18 VAL QQG 19 ASP H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL H 18 VAL QQG 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 60 VAL H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 34 PHE HZ 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 87 VAL HA 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL HA 18 VAL QQG 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 60 VAL HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 72 MET HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 18 VAL QQG 87 VAL QQG 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL QQG 60 VAL QQG 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 79 VAL QQG 81 ASP H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 82 GLY H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 20 ASN HD21 79 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL HA 79 VAL QQG 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU HA 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 82 GLY HA3 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 82 GLY HA2 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 15 SER QB 16 LEU HA 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 211, 212,
 &end
#
# 16 LEU HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 16 LEU HA 89 MET HA 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1415, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 16 LEU HA 89 MET HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 HIS HE1 64 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1034,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ASP HA 67 ASP H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1100, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 64 ASP HA 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ASP HA 65 LYS QG 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1061,1062,
 &end
#
# 14 THR QG2 64 ASP HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 199, 200, 201,
 &end
#
# 19 ASP HA 86 ARG H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,1356, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 19 ASP HA 20 ASN HA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 19 ASP HA 20 ASN HB2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 291, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 18 VAL HB 19 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ASP HA 86 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1363,1364,
 &end
#
# 18 VAL QQG 19 ASP HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 19 ASP HA 58 ALA QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 939, 940, 941,
 &end
#
# 19 ASP HA 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 19 ASP HA 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 16 LEU H 90 ALA QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1434,1435,1436,
 &end
#
# 90 ALA H 90 ALA QB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1434,1435,1436,
 &end
#
# 90 ALA QB 91 ARG H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1434,1435,1436,
 &end
#
# 59 PHE QE 90 ALA QB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 955, 959,
 igr2=1434,1435,1436,
 &end
#
# 59 PHE QD 90 ALA QB 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 953, 961,
 igr2=1434,1435,1436,
 &end
#
# 90 ALA QB 92 TYR QE 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1434,1435,1436,
 igr2=1474,1479,
 &end
#
# 59 PHE HA 90 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1434,1435,1436,
 &end
#
# 16 LEU HA 90 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1434,1435,1436,
 &end
#
# 17 LYS HA 90 ALA QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1434,1435,1436,
 &end
#
# 15 SER QB 90 ALA QB 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 211, 212,
 igr2=1434,1435,1436,
 &end
#
# 15 SER QB 90 ALA QB 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 211, 212,
 igr2=1434,1435,1436,
 &end
#
# 90 ALA QB 91 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1434,1435,1436,
 igr2=1450,1451,
 &end
#
# 90 ALA QB 92 TYR HB2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1468, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1434,1435,1436,
 &end
#
# 17 LYS HD2 90 ALA QB 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1434,1435,1436,
 &end
#
# 17 LYS HD3 90 ALA QB 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1434,1435,1436,
 &end
#
# 60 VAL QQG 90 ALA QB 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1434,1435,1436,
 &end
#
# 72 MET H 74 ALA QB 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2=1192,1193,1194,
 &end
#
# 74 ALA QB 75 MET H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1192,1193,1194,
 &end
#
# 73 ASP H 74 ALA QB 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1192,1193,1194,
 &end
#
# 74 ALA H 74 ALA QB 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2=1192,1193,1194,
 &end
#
# 37 TYR QD 74 ALA QB 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 592, 601,
 igr2=1192,1193,1194,
 &end
#
# 72 MET HA 74 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
# 71 ALA HA 74 ALA QB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1192,1193,1194,
 &end
#
# 60 VAL QQG 61 ARG H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 42 ASP H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QE 60 VAL QQG 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 537, 541,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 59 PHE HA 60 VAL QQG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL HA 60 VAL QQG 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 27 PRO HA 60 VAL QQG 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 31 ARG HA 60 VAL QQG 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB3 60 VAL QQG 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB2 60 VAL QQG 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 59 PHE QB 60 VAL QQG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 949, 950,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL QQG 60 VAL QQG 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 58 ALA QB 60 VAL QQG 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 939, 940, 941,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL QQG 60 VAL QQG 2.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL QQG 60 VAL QQG 2.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL QQG 60 VAL QQG 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 17 LYS H 90 ALA HA 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1432, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 90 ALA HA 92 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 LEU HA 90 ALA HA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1432, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 89 MET QB 90 ALA HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1417,1418,
 &end
#
# 89 MET HA 90 ALA HA 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1432, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 17 LYS HB3 90 ALA HA 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1432, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 17 LYS HB2 90 ALA HA 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1432, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 78 ALA QB 85 LEU H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1238,1239,1240,
 &end
#
# 78 ALA QB 80 LEU H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1238,1239,1240,
 &end
#
# 78 ALA H 78 ALA QB 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1238,1239,1240,
 &end
#
# 74 ALA H 78 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
# 75 MET HA 78 ALA QB 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr2=1238,1239,1240,
 &end
#
# 77 GLY HA2 78 ALA QB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1238,1239,1240,
 &end
#
# 75 MET HB3 78 ALA QB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1238,1239,1240,
 &end
#
# 35 GLU H 71 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
# 71 ALA QB 72 MET H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1153,1154,1155,
 &end
#
# 71 ALA H 71 ALA QB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE QD 71 ALA QB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 535, 543,
 igr2=1153,1154,1155,
 &end
#
# 37 TYR QD 71 ALA QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 592, 601,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE QE 71 ALA QB 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 537, 541,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE HA 71 ALA QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1153,1154,1155,
 &end
#
# 71 ALA QB 72 MET HA 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1153,1154,1155,
 &end
#
# 37 TYR HB2 71 ALA QB 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1153,1154,1155,
 &end
#
# 70 ASP HB2 71 ALA QB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1153,1154,1155,
 &end
#
# 71 ALA QB 72 MET HB3 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1153,1154,1155,
 &end
#
# 71 ALA QB 72 MET HB2 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1153,1154,1155,
 &end
#
# 71 ALA QB 75 MET HB2 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1153,1154,1155,
 &end
#
# 71 ALA QB 74 ALA QB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=1153,1154,1155,
 igr2=1192,1193,1194,
 &end
#
# 16 LEU QQD 71 ALA QB 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1153,1154,1155,
 &end
#
# 60 VAL QQG 71 ALA QB 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1153,1154,1155,
 &end
#
# 78 ALA HA 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 ALA HA 79 VAL H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1244, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 78 ALA HA 79 VAL HA 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1246, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 78 ALA HA 79 VAL QQG 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 77 GLY H 78 ALA HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1236, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 26 SER H 27 PRO HD2 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 405, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 27 PRO HD2 30 LEU QQD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 27 PRO HD2 45 ILE QD1 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO HD2 43 VAL QQG 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 5 ARG H 6 PRO HD3 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  86, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 94 ARG HA 95 PRO HD3 2.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1494,1518, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18,  &end
#
# 94 ARG HA 95 PRO HD2 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1494,1517, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 94 ARG QB 95 PRO HD2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1496,1497,
 &end
#
# 3 TYR QE 6 PRO HD3 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=  42,  47,
 &end
#
# 5 ARG HA 6 PRO HD3 2.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  86, r1= 1.30, r2= 1.80, r3= 2.44, r4= 2.94,  &end
#
# 27 PRO HD3 45 ILE HB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 712, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 8 PRO QD 9 ASP H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 113, 114,
 &end
#
# 8 PRO QD 10 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 113, 114,
 &end
#
# 94 ARG H 95 PRO HD3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,1518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 PRO QD 9 ASP H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 113, 114,
 &end
#
# 5 ARG HA 6 PRO HD2 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  85, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 8 PRO QD 10 VAL QQG 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 113, 114,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 5 ARG QB 6 PRO HD2 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=  64,  65,
 &end
#
# 44 TYR QD 46 PRO HD2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 695, 704,
 &end
#
# 45 ILE HA 46 PRO HD2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 728, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 46 PRO HD2 59 PHE H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 945, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 44 TYR QE 46 PRO HD2 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 697, 702,
 &end
#
# 46 PRO HD3 59 PHE H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 945, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 45 ILE H 46 PRO HD3 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 729, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 46 PRO HD3 47 ARG H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 741, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 44 TYR QD 46 PRO HD3 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 695, 704,
 &end
#
# 46 PRO HD3 58 ALA HA 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 937, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 46 PRO HD3 58 ALA QB 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE QG2 46 PRO HD3 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 714, 715, 716,
 &end
#
# 8 PRO QD 10 VAL QQG 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 113, 114,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 16 LEU H 68 ALA QB 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1116,1117,1118,
 &end
#
# 64 ASP H 68 ALA QB 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1116,1117,1118,
 &end
#
# 68 ALA QB 69 GLU H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1116,1117,1118,
 &end
#
# 62 PHE QD 68 ALA QB 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1013,1021,
 igr2=1116,1117,1118,
 &end
#
# 68 ALA H 68 ALA QB 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1116,1117,1118,
 &end
#
# 15 SER HA 68 ALA QB 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1116,1117,1118,
 &end
#
# 62 PHE HA 68 ALA QB 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1116,1117,1118,
 &end
#
# 67 ASP HA 68 ALA QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1116,1117,1118,
 &end
#
# 65 LYS HA 68 ALA QB 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1116,1117,1118,
 &end
#
# 62 PHE HB3 68 ALA QB 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1116,1117,1118,
 &end
#
# 62 PHE HB2 68 ALA QB 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2=1116,1117,1118,
 &end
#
# 16 LEU QQD 68 ALA QB 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1116,1117,1118,
 &end
#
# 60 VAL QQG 68 ALA QB 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1116,1117,1118,
 &end
#
# 46 PRO HD2 58 ALA HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 937, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 30 LEU QQD 58 ALA HA 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 13 MET H 13 MET QE 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 187, 188, 189,
 &end
#
# 10 VAL HA 13 MET QE 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 187, 188, 189,
 &end
#
# 13 MET QG 13 MET QE 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 183, 184,
 igr2= 187, 188, 189,
 &end
#
# 10 VAL QQG 13 MET QE 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 144, 145, 146, 148, 149, 150,
 igr2= 187, 188, 189,
 &end
#
# 72 MET QE 89 MET H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1170,1171,1172,
 &end
#
# 72 MET H 72 MET QE 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1170,1171,1172,
 &end
#
# 16 LEU HA 72 MET QE 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1170,1171,1172,
 &end
#
# 72 MET QE 88 GLN HA 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1170,1171,1172,
 &end
#
# 72 MET QE 89 MET HA 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1170,1171,1172,
 &end
#
# 69 GLU HA 72 MET QE 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1170,1171,1172,
 &end
#
# 72 MET QE 89 MET HG2 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=1170,1171,1172,
 &end
#
# 72 MET HG2 72 MET QE 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
 igr2=1170,1171,1172,
 &end
#
# 72 MET QE 89 MET QE 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1170,1171,1172,
 igr2=1424,1425,1426,
 &end
#
# 72 MET QE 87 VAL QQG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1170,1171,1172,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 16 LEU QQD 72 MET QE 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1170,1171,1172,
 &end
#
# 16 LEU H 89 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1424,1425,1426,
 &end
#
# 17 LYS H 89 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1424,1425,1426,
 &end
#
# 89 MET H 89 MET QE 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1424,1425,1426,
 &end
#
# 69 GLU H 89 MET QE 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1424,1425,1426,
 &end
#
# 68 ALA H 89 MET QE 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU HA 89 MET QE 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1424,1425,1426,
 &end
#
# 88 GLN HA 89 MET QE 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1424,1425,1426,
 &end
#
# 89 MET HA 89 MET QE 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1424,1425,1426,
 &end
#
# 10 VAL HA 89 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1424,1425,1426,
 &end
#
# 66 ARG HA 89 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1424,1425,1426,
 &end
#
# 65 LYS HA 89 MET QE 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1424,1425,1426,
 &end
#
# 69 GLU HA 89 MET QE 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU QQD 89 MET QE 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1424,1425,1426,
 &end
#
# 45 ILE QG2 59 PHE H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE QG2 58 ALA H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE H 45 ILE QG2 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE QG2 56 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE QG2 47 ARG H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE QG2 58 ALA HA 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE HA 45 ILE QG2 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE QG2 54 SER QB 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 714, 715, 716,
 igr2= 877, 878,
 &end
#
# 27 PRO HD3 45 ILE QG2 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE QG2 46 PRO HD2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE QG2 47 ARG QD 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 714, 715, 716,
 igr2= 751, 752,
 &end
#
# 45 ILE QG2 59 PHE QB 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 714, 715, 716,
 igr2= 949, 950,
 &end
#
# 38 GLY H 71 ALA QB 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1153,1154,1155,
 &end
#
# 38 GLY H 39 ARG H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 37 TYR H 38 GLY H 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 605, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 37 TYR QD 38 GLY H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 592, 601,
 &end
#
# 38 GLY H 62 PHE QE 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1015,1019,
 &end
#
# 36 LYS H 38 GLY H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 605, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 35 GLU HA 38 GLY H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 37 TYR HA 38 GLY H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 605, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 37 TYR HB2 38 GLY H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 605, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 37 TYR HB3 38 GLY H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 605, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 35 GLU HB3 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HG2 38 GLY H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 605, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 38 GLY H 40 VAL QQG 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 79 VAL HA 81 ASP H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1279, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 80 LEU HG 81 ASP H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1267,1279, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 81 ASP H 83 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL H 60 VAL H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 965, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 17 LYS HB2 18 VAL H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 259, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 17 LYS HG3 18 VAL H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 259, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 17 LYS HD2 18 VAL H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 259, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 18 VAL H 59 PHE QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 949, 950,
 &end
#
# 18 VAL H 18 VAL HB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 80 LEU H 85 LEU H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1337, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 79 VAL HA 80 LEU H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1260, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 78 ALA HA 80 LEU H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1260, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 80 LEU H 84 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 LEU H 85 LEU HG 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1344, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 80 LEU H 80 LEU QB 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1264,1265,
 &end
#
# 80 LEU H 80 LEU HG 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1267, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 80 LEU H 80 LEU QB 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1264,1265,
 &end
#
# 80 LEU H 80 LEU QQD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 39 ARG HA 40 VAL H 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 39 ARG QD 40 VAL H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 622, 623,
 &end
#
# 40 VAL H 40 VAL HB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 39 ARG HB3 40 VAL H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 636, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 39 ARG H 40 VAL H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 35 GLU HA 40 VAL H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 636, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 44 TYR H 45 ILE H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 708, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 44 TYR HB2 45 ILE H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 708, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 44 TYR HA 45 ILE H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 708, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 44 TYR HB3 45 ILE H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 708, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 45 ILE H 45 ILE HB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 712, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 45 ILE H 45 ILE QG1 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 718, 719,
 &end
#
# 85 LEU H 86 ARG H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1356, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 79 VAL HA 85 LEU H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1337, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 84 GLU HA 85 LEU H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1337, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 85 LEU H 85 LEU HB3 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1342, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 84 GLU HG3 85 LEU H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1337, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 85 LEU H 85 LEU HG 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1344, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 79 VAL HB 85 LEU H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1337, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 79 VAL QQG 85 LEU H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 44 TYR H 44 TYR QD 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 695, 704,
 &end
#
# 43 VAL HA 44 TYR H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 687, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 44 TYR H 60 VAL HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 967, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 44 TYR H 44 TYR HB3 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 692, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 44 TYR H 59 PHE QB 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 949, 950,
 &end
#
# 44 TYR H 58 ALA QB 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 939, 940, 941,
 &end
#
# 43 VAL QQG 44 TYR H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 44 TYR H 60 VAL QQG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU QQD 44 TYR H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 64 ASP HA 65 LYS H 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1054, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 64 ASP QB 65 LYS H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1046,1047,
 &end
#
# 65 LYS H 65 LYS HB2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 65 LYS H 65 LYS HB3 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 65 LYS H 65 LYS QG 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1061,1062,
 &end
#
# 89 MET HG2 90 ALA H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1430, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 16 LEU H 90 ALA H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1430, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 89 MET H 90 ALA H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1430, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 16 LEU HA 90 ALA H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1430, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 89 MET HA 90 ALA H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1430, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 89 MET QB 90 ALA H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1417,1418,
 &end
#
# 16 LEU QQD 90 ALA H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 76 ASP QB 87 VAL H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1219,1220,
 &end
#
# 86 ARG HA 87 VAL H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1380, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 76 ASP HA 87 VAL H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1380, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 87 VAL H 87 VAL HB 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1384, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 86 ARG HB2 87 VAL H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1380, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 86 ARG QG 87 VAL H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1363,1364,
 &end
#
# 87 VAL H 87 VAL QQG 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP QB 87 VAL H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1219,1220,
 &end
#
# 19 ASP H 20 ASN H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 287, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 19 ASP H 87 VAL HA 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1382, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 19 ASP H 85 LEU HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1339, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 19 ASP H 85 LEU QQD 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU H 82 GLY H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1291, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 79 VAL QQG 82 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 80 LEU QQD 82 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 81 ASP H 82 GLY H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1291, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 79 VAL HA 82 GLY H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1291, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 80 LEU HA 82 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82 GLY H 83 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL HB 82 GLY H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1291, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 82 GLY H 83 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1302,1303,
 &end
#
# 82 GLY H 83 ARG HG2 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1305, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 43 VAL HA 61 ARG H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 981, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 61 ARG H 61 ARG QB 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 985, 986,
 &end
#
# 43 VAL QQG 61 ARG H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 26 SER H 30 LEU QQD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 26 SER H 45 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 714, 715, 716,
 &end
#
# 25 THR H 26 SER H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 393, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 26 SER H 26 SER QB 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 397, 398,
 &end
#
# 25 THR HB 26 SER H 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 393, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 26 SER H 27 PRO HD3 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 406, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 25 THR QG2 26 SER H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 385, 386, 387,
 &end
#
# 78 ALA H 85 LEU HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1339, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 78 ALA H 85 LEU H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 GLY H 78 ALA H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 78 ALA H 79 VAL H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 78 ALA H 86 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 MET HA 78 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1234, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 76 ASP HA 78 ALA H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1234, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 77 GLY HA2 78 ALA H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1234, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 78 ALA H 85 LEU HB3 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1342, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 75 MET HB3 78 ALA H 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1234, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 78 ALA H 85 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 ALA H 85 LEU HB2 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1341, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 78 ALA H 87 VAL QQG 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 78 ALA H 85 LEU QQD 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 16 LEU H 62 PHE H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1005, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 62 PHE H 62 PHE QD 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1013,1021,
 &end
#
# 62 PHE H 62 PHE QE 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1015,1019,
 &end
#
# 15 SER HA 62 PHE H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1005, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 15 SER QB 62 PHE H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 211, 212,
 &end
#
# 62 PHE H 62 PHE HB2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1009, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 61 ARG QB 62 PHE H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 985, 986,
 &end
#
# 16 LEU QB 62 PHE H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 222, 223,
 &end
#
# 17 LYS H 90 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1430, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 17 LYS H 89 MET HA 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1415, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 17 LYS H 17 LYS HB3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 242, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 16 LEU HA 17 LYS H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 17 LYS H 90 ALA QB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1434,1435,1436,
 &end
#
# 16 LEU QB 17 LYS H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 222, 223,
 &end
#
# 59 PHE HA 60 VAL H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 965, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 43 VAL HA 60 VAL H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 965, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 59 PHE QB 60 VAL H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 949, 950,
 &end
#
# 60 VAL H 60 VAL HB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 969, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 17 LYS HA 60 VAL H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 965, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 60 VAL H 60 VAL QQG 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 101 SER H 101 SER QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1605,1606,
 &end
#
# 100 HIS QB 101 SER H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1588,1589,
 &end
#
# 16 LEU H 89 MET HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1415, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 16 LEU H 16 LEU QQD 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU H 60 VAL QQG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 16 LEU H 61 ARG HA 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 983, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 16 LEU H 62 PHE HB3 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1010, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 48 ASP H 55 ARG H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 884, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 48 ASP H 54 SER QB 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 877, 878,
 &end
#
# 47 ARG QD 48 ASP H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 751, 752,
 &end
#
# 48 ASP H 48 ASP QB 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 769, 770,
 &end
#
# 48 ASP H 48 ASP QB 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 769, 770,
 &end
#
# 48 ASP H 55 ARG QG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 891, 892,
 &end
#
# 11 GLU H 12 GLY H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 11 GLU H 13 MET H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 176, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 9 ASP HA 11 GLU H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 154, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 9 ASP QB 11 GLU H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 130, 131,
 &end
#
# 11 GLU H 11 GLU QB 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 158, 159,
 &end
#
# 10 VAL QQG 11 GLU H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 21 LEU HA 23 TYR H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 334, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 21 LEU HB3 23 TYR H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 334, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 47 ARG HA 48 ASP H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 765, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 47 ARG QG 48 ASP H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 748, 749,
 &end
#
# 70 ASP H 71 ALA H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1149, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 37 TYR QD 71 ALA H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 592, 601,
 &end
#
# 37 TYR QE 71 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 599,
 &end
#
# 69 GLU HA 71 ALA H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1149, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 37 TYR HB2 71 ALA H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1149, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 70 ASP HB2 71 ALA H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1149, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 71 ALA H 74 ALA QB 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1192,1193,1194,
 &end
#
# 88 GLN H 89 MET H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,1413, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 16 LEU HA 89 MET H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1413, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 88 GLN HA 89 MET H 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1413, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 89 MET H 89 MET HG3 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1421, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 88 GLN HG3 89 MET H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1413, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 88 GLN HG2 89 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 89 MET H 89 MET QB 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2=1417,1418,
 &end
#
# 16 LEU QQD 89 MET H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 87 VAL H 88 GLN H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1396, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 72 MET HA 88 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 VAL HB 88 GLN H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1396, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 19 ASP H 88 GLN H 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1396, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 17 LYS H 88 GLN H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1396, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 17 LYS HB3 88 GLN H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1396, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 87 VAL QQG 88 GLN H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 91 ARG H 92 TYR H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1464, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 92 TYR H 92 TYR QD 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1472,1481,
 &end
#
# 91 ARG HA 92 TYR H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1464, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 91 ARG QD 92 TYR H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1450,1451,
 &end
#
# 92 TYR H 92 TYR HB3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,1469, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 92 TYR H 92 TYR HB2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,1468, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 91 ARG QB 92 TYR H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1444,1445,
 &end
#
# 91 ARG QG 92 TYR H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1447,1448,
 &end
#
# 3 TYR H 3 TYR QD 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=  40,  49,
 &end
#
# 2 SER HA 3 TYR H 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  32, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 2 SER QB 3 TYR H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=  25,  26,
 &end
#
# 3 TYR H 3 TYR HB2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  36, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 3 TYR H 3 TYR HB3 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  37, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 14 THR HB 15 SER H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 14 THR QG2 15 SER H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 199, 200, 201,
 &end
#
# 93 GLY QA 94 ARG H 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1=1487,1488,
 &end
#
# 93 GLY QA 94 ARG H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1487,1488,
 &end
#
# 94 ARG H 95 PRO HD2 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,1517, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 94 ARG H 94 ARG QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1496,1497,
 &end
#
# 94 ARG H 94 ARG QB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1496,1497,
 &end
#
# 20 ASN HD22 84 GLU H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 296,1322, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 77 GLY HA2 84 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 83 ARG QD 84 GLU H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1308,1309,
 &end
#
# 84 GLU H 84 GLU HB2 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 79 VAL HB 84 GLU H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1322, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 5 ARG H 5 ARG QD 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=  70,  71,
 &end
#
# 4 GLY QA 5 ARG H 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr1=  55,  56,
 &end
#
# 5 ARG H 6 PRO HD2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  85, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 5 ARG H 5 ARG QB 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=  64,  65,
 &end
#
# 19 ASP QB 86 ARG H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 279, 280,
 &end
#
# 19 ASP H 86 ARG H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1356, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 85 LEU HA 86 ARG H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1356, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 20 ASN HB3 86 ARG H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1356, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 85 LEU HB3 86 ARG H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1356, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 86 ARG H 86 ARG QG 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1363,1364,
 &end
#
# 85 LEU HB2 86 ARG H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1356, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 18 VAL QQG 86 ARG H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 265, 266, 267, 269, 270, 271,
 &end
#
# 85 LEU QQD 86 ARG H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU H 85 LEU H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1337, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 20 ASN HD21 84 GLU H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,1322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 45 ILE QG2 55 ARG H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 714, 715, 716,
 &end
#
# 55 ARG H 55 ARG HB2 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 888, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 55 ARG H 55 ARG QG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 891, 892,
 &end
#
# 55 ARG H 55 ARG HB3 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 889, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 43 VAL H 44 TYR H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 687, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 42 ASP H 43 VAL H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 42 ASP HA 43 VAL H 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 671, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 40 VAL QQG 43 VAL H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 43 VAL H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 54 SER QB 55 ARG H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 877, 878,
 &end
#
# 70 ASP H 70 ASP HB2 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1141, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 69 GLU HB3 70 ASP H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1137, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 70 ASP H 71 ALA QB 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1153,1154,1155,
 &end
#
# 70 ASP H 70 ASP HB3 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1142, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 69 GLU HG2 70 ASP H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1137, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 69 GLU HB2 70 ASP H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1126,1137, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 66 ARG HA 70 ASP H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 76 ASP H 87 VAL H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1380, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 76 ASP H 77 GLY H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 75 MET H 76 ASP H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1215, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 74 ALA H 76 ASP H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1215, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 73 ASP HA 76 ASP H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1215, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 74 ALA HA 76 ASP H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1215, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 72 MET HA 76 ASP H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1215, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 76 ASP H 76 ASP QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1219,1220,
 &end
#
# 76 ASP H 76 ASP QB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1219,1220,
 &end
#
# 72 MET HG3 76 ASP H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1215, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 75 MET HB3 76 ASP H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1215, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 76 ASP H 87 VAL HB 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1384, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 83 ARG H 84 GLU H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1322, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 82 GLY H 83 ARG H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1298, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 79 VAL HA 83 ARG H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1298, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 83 ARG H 83 ARG QB 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1302,1303,
 &end
#
# 79 VAL HB 83 ARG H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1298, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 83 ARG H 83 ARG HG3 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 83 ARG H 83 ARG HG2 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1305, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 79 VAL QQG 83 ARG H 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 83 ARG H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 80 LEU QQD 83 ARG H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 91 ARG H 91 ARG QG 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1447,1448,
 &end
#
# 91 ARG H 91 ARG HA 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1442, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
# 97 ASP H 97 ASP QB 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1544,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1548,1549,
 &end
#
# 89 MET QB 91 ARG H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1417,1418,
 &end
#
# 13 MET QG 91 ARG H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 183, 184,
 &end
#
# 45 ILE H 47 ARG H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 741, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 47 ARG H 48 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 PRO HA 47 ARG H 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 741, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 47 ARG H 47 ARG QD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 751, 752,
 &end
#
# 46 PRO QB 47 ARG H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 734, 735,
 &end
#
# 47 ARG H 47 ARG QG 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 748, 749,
 &end
#
# 47 ARG H 47 ARG QB 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 745, 746,
 &end
#
# 47 ARG H 47 ARG QG 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 748, 749,
 &end
#
# 66 ARG H 67 ASP H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1100, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 67 ASP H 69 GLU H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1122, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 62 PHE QD 67 ASP H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1013,1021,
 &end
#
# 66 ARG QD 67 ASP H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1086,1087,
 &end
#
# 67 ASP H 67 ASP HB3 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1105, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 67 ASP H 67 ASP HB2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 66 ARG QB 67 ASP H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1080,1081,
 &end
#
# 66 ARG QG 67 ASP H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1083,1084,
 &end
#
# 67 ASP H 68 ALA QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1116,1117,1118,
 &end
#
# 68 ALA H 69 GLU H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 62 PHE QD 68 ALA H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1013,1021,
 &end
#
# 67 ASP H 68 ALA H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1112, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 67 ASP HB3 68 ALA H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1112, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 67 ASP HB2 68 ALA H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1112, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 68 ALA H 69 GLU HB2 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1126, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 66 ARG H 68 ALA H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1112, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 65 LYS HA 68 ALA H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1112, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 64 ASP H 65 LYS H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1054, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 63 HIS H 64 ASP H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1042, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 62 PHE QD 64 ASP H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1013,1021,
 &end
#
# 64 ASP H 67 ASP H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1100, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 62 PHE HA 64 ASP H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1042, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 62 PHE HB3 64 ASP H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1042, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 63 HIS HB2 64 ASP H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1042, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 63 HIS HB3 64 ASP H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1042, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 64 ASP H 64 ASP QB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1046,1047,
 &end
#
# 64 ASP H 64 ASP QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1046,1047,
 &end
#
# 62 PHE HB2 63 HIS H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1025, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 40 VAL HA 63 HIS H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1025, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 62 PHE HB3 63 HIS H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 63 HIS H 63 HIS HB3 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 65 LYS H 67 ASP H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1100, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 68 ALA H 72 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1170,1171,1172,
 &end
#
# 34 PHE H 35 GLU H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 547, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 34 PHE QD 35 GLU H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 535, 543,
 &end
#
# 35 GLU H 37 TYR H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 584, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 35 GLU H 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU H 37 TYR QD 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 592, 601,
 &end
#
# 32 ARG HA 35 GLU H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 547, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 31 ARG HA 35 GLU H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 547, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 34 PHE HB3 35 GLU H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 34 PHE HB2 35 GLU H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 547, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 35 GLU H 35 GLU HG2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 554, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 35 GLU H 35 GLU HG3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 555, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 35 GLU H 35 GLU HB3 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 63 HIS H 63 HIS HB2 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 39 ARG HB3 63 HIS H 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,1025, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 61 ARG QG 63 HIS H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 988, 989,
 &end
#
# 62 PHE QD 63 HIS H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1013,1021,
 &end
#
# 9 ASP H 10 VAL H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 9 ASP H 9 ASP QB 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 130, 131,
 &end
#
# 8 PRO HB3 9 ASP H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 126, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 8 PRO HB2 9 ASP H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 126, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 9 ASP H 10 VAL QQG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 30 LEU H 31 ARG H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 463, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 29 THR HB 30 LEU H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 444, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 30 LEU H 31 ARG HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 465, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 28 ASP QB 30 LEU H 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 422, 423,
 &end
#
# 30 LEU H 30 LEU HG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 451, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 29 THR QG2 30 LEU H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 436, 437, 438,
 &end
#
# 30 LEU H 30 LEU QQD 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 10 VAL H 11 GLU H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 154, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 10 VAL H 11 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 ASP QB 10 VAL H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 130, 131,
 &end
#
# 48 ASP QB 53 GLU H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 769, 770,
 &end
#
# 8 PRO QG 10 VAL H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 116, 117,
 &end
#
# 10 VAL H 10 VAL QQG 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 48 ASP H 53 GLU H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 858, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 53 GLU H 54 SER H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 873, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 48 ASP QB 53 GLU H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 769, 770,
 &end
#
# 53 GLU H 53 GLU HB3 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 863, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 51 THR QG2 53 GLU H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 828, 829, 830,
 &end
#
# 22 THR H 25 THR H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 21 LEU HA 25 THR H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 379, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 23 TYR HA 25 THR H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 379, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 25 THR H 25 THR HB 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 383, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 24 ARG HB3 25 THR H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 379, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 24 ARG QG 25 THR H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 362, 363,
 &end
#
# 21 LEU QD1 25 THR H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 310, 311, 312,
 &end
#
# 25 THR H 30 LEU QQD 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 21 LEU QD2 25 THR H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 314, 315, 316,
 &end
#
# 65 LYS H 66 ARG H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1076, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 66 ARG H 69 GLU H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1122, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 64 ASP HA 66 ARG H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1076, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 66 ARG H 66 ARG QD 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1086,1087,
 &end
#
# 64 ASP QB 66 ARG H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 66 ARG H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1046,1047,
 &end
#
# 66 ARG H 66 ARG QB 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1080,1081,
 &end
#
# 66 ARG H 66 ARG QG 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=1083,1084,
 &end
#
# 65 LYS QG 66 ARG H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1061,1062,
 &end
#
# 28 ASP HA 31 ARG H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 463, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 31 ARG H 31 ARG HD2 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 473, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 31 ARG H 31 ARG QB 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 467, 468,
 &end
#
# 30 LEU HB2 31 ARG H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 463, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 31 ARG H 43 VAL QQG 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU QQD 31 ARG H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 31 ARG H 60 VAL QQG 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 13 MET H 14 THR H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 193, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 13 MET H 13 MET QG 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 183, 184,
 &end
#
# 10 VAL QQG 13 MET H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 71 ALA H 72 MET H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1159, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 70 ASP H 72 MET H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1159, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 72 MET H 73 ASP H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1176, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 72 MET H 72 MET HG2 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1166, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 72 MET H 72 MET HB3 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1164, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 72 MET H 72 MET HB2 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1163, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 79 VAL H 80 LEU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 79 VAL H 84 GLU HA 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1324, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 79 VAL H 79 VAL HB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 78 ALA QB 79 VAL H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1238,1239,1240,
 &end
#
# 79 VAL H 79 VAL QQG 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 11 GLU HA 13 MET H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 176, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 10 VAL HA 13 MET H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 176, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 10 VAL HB 13 MET H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 176, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 11 GLU QB 13 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 158, 159,
 &end
#
# 19 ASP HA 58 ALA H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 935, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 57 PHE HB2 58 ALA H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 57 PHE HB3 58 ALA H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 19 ASP QB 58 ALA H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 279, 280,
 &end
#
# 30 LEU QQD 58 ALA H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 28 ASP H 29 THR H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 29 THR H 30 LEU H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 26 SER QB 29 THR H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 397, 398,
 &end
#
# 29 THR H 29 THR QG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 436, 437, 438,
 &end
#
# 25 THR QG2 29 THR H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 385, 386, 387,
 &end
#
# 29 THR H 30 LEU QQD 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 34 PHE HA 36 LYS H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 562, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 35 GLU H 36 LYS H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 34 PHE H 36 LYS H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 562, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 36 LYS H 37 TYR H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 584, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 36 LYS H 37 TYR QD 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 592, 601,
 &end
#
# 36 LYS H 37 TYR HB2 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 588, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 36 LYS H 36 LYS QE 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 575, 576,
 &end
#
# 35 GLU HB3 36 LYS H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 35 GLU HB2 36 LYS H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 562, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 36 LYS H 36 LYS HB3 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 36 LYS H 36 LYS HG2 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 569, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 36 LYS H 40 VAL QQG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 50 TYR H 50 TYR HB3 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 806, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 48 ASP QB 50 TYR H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 769, 770,
 &end
#
# 48 ASP QB 50 TYR H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 769, 770,
 &end
#
# 72 MET H 74 ALA H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1188, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 74 ALA H 75 MET H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1198, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 73 ASP H 74 ALA H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1188, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 37 TYR QE 74 ALA H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 594, 599,
 &end
#
# 74 ALA H 75 MET HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 73 ASP HA 74 ALA H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1188, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 72 MET HA 74 ALA H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1188, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 71 ALA HA 74 ALA H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1188, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 72 MET HB3 74 ALA H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1188, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 76 ASP QB 77 GLY H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1219,1220,
 &end
#
# 77 GLY H 87 VAL H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1380, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 77 GLY H 86 ARG HA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1358, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 77 GLY H 85 LEU HA 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1339, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 76 ASP HA 77 GLY H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 76 ASP QB 77 GLY H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1219,1220,
 &end
#
# 77 GLY H 85 LEU HB3 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1342, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 75 MET HB3 77 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLY H 85 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLY H 87 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLY H 78 ALA QB 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1238,1239,1240,
 &end
#
# 69 GLU H 70 ASP HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1139, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 69 GLU H 69 GLU HG2 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1129, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 69 GLU H 69 GLU HB3 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1127, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 69 GLU H 69 GLU HB2 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1126, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 67 ASP HA 69 GLU H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1122, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 69 GLU H 70 ASP HB2 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1141, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 65 LYS QG 69 GLU H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1061,1062,
 &end
#
# 41 GLY H 42 ASP H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 42 ASP H 61 ARG H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 981, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 42 ASP H 62 PHE HA 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,1007, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 40 VAL HA 42 ASP H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 659, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 42 ASP H 42 ASP HB3 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 664, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 42 ASP H 42 ASP HB2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 42 ASP H 61 ARG QG 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 988, 989,
 &end
#
# 42 ASP H 61 ARG QB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 985, 986,
 &end
#
# 42 ASP H 43 VAL QQG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 40 VAL QQG 42 ASP H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 72 MET HG2 73 ASP H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 71 ALA H 73 ASP H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1176, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 73 ASP H 75 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 ASP H 74 ALA HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1190, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 73 ASP H 73 ASP QB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1180,1181,
 &end
#
# 73 ASP H 73 ASP QB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1180,1181,
 &end
#
# 72 MET HB3 73 ASP H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1176, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 72 MET QE 73 ASP H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1170,1171,1172,
 &end
#
# 72 MET HB2 73 ASP H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1176, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 40 VAL HB 42 ASP H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 14 THR H 15 SER H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 207, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 13 MET HA 14 THR H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 193, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 14 THR H 14 THR HB 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 197, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 13 MET QB 14 THR H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 180, 181,
 &end
#
# 13 MET QG 14 THR H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 183, 184,
 &end
#
# 14 THR H 14 THR QG2 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 199, 200, 201,
 &end
#
# 14 THR H 65 LYS HB3 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,1059, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 59 PHE H 59 PHE QD 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 953, 961,
 &end
#
# 58 ALA HA 59 PHE H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 43 VAL HA 59 PHE H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 945, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 45 ILE HA 59 PHE H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 945, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 59 PHE H 59 PHE QB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 949, 950,
 &end
#
# 30 LEU QQD 59 PHE H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 59 PHE H 60 VAL H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 965, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 59 PHE H 60 VAL QQG 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU HA 34 PHE H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 527, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 34 PHE H 34 PHE QD 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 535, 543,
 &end
#
# 34 PHE H 62 PHE HZ 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,1017, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 34 PHE H 34 PHE HB3 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 34 PHE H 34 PHE HB2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 33 VAL QG2 34 PHE H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 521, 522, 523,
 &end
#
# 28 ASP HA 32 ARG H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 32 ARG H 32 ARG QD 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 497, 498,
 &end
#
# 31 ARG QB 32 ARG H 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1= 467, 468,
 &end
#
# 32 ARG H 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG H 32 ARG H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 487, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 32 ARG H 34 PHE H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 527, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 29 THR HA 32 ARG H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 487, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 28 ASP QB 32 ARG H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 422, 423,
 &end
#
# 32 ARG H 33 VAL QG2 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 521, 522, 523,
 &end
#
# 26 SER HA 28 ASP H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 418, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 26 SER QB 28 ASP H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 397, 398,
 &end
#
# 27 PRO HD2 28 ASP H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 418, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 27 PRO HG2 28 ASP H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 418, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 27 PRO HG3 28 ASP H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 418, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 28 ASP H 43 VAL QQG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 28 ASP H 45 ILE QD1 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO HD3 28 ASP H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 418, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 39 ARG H 67 ASP HA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,1102, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 51 THR H 52 LYS H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 39 ARG H 62 PHE QD 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1013,1021,
 &end
#
# 38 GLY HA3 39 ARG H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 612, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 39 ARG H 39 ARG QD 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 622, 623,
 &end
#
# 39 ARG H 39 ARG HB2 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 39 ARG H 39 ARG HB3 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 52 LYS H 52 LYS QD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 846, 847,
 &end
#
# 39 ARG H 67 ASP HB3 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,1105, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 33 VAL H 35 GLU H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 547, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 33 VAL H 34 PHE H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 527, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 ARG H 33 VAL H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 511, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 30 LEU HA 33 VAL H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 32 ARG QD 33 VAL H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 497, 498,
 &end
#
# 33 VAL H 34 PHE HB2 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 531, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 33 VAL H 33 VAL HB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 31 ARG QB 33 VAL H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 467, 468,
 &end
#
# 32 ARG QB 33 VAL H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 491, 492,
 &end
#
# 32 ARG QG 33 VAL H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 494, 495,
 &end
#
# 29 THR QG2 33 VAL H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 436, 437, 438,
 &end
#
# 33 VAL H 33 VAL QG1 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 517, 518, 519,
 &end
#
# 97 ASP QB 98 SER H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1548,1549,
 &end
#
# 39 ARG HB3 41 GLY H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 652, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 40 VAL QQG 41 GLY H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 41 GLY H 60 VAL QQG 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 41 GLY H 63 HIS H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1025, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 40 VAL HB 41 GLY H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 652, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 21 LEU H 22 THR H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 320, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 21 LEU H 57 PHE HA 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 917, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 21 LEU H 56 GLY QA 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 910, 911,
 &end
#
# 20 ASN HB3 21 LEU H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 21 LEU H 21 LEU HG 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 21 LEU H 21 LEU HB3 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 21 LEU H 21 LEU HB2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 21 LEU H 21 LEU QD1 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 310, 311, 312,
 &end
#
# 21 LEU H 21 LEU QD2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 314, 315, 316,
 &end
#
# 37 TYR H 37 TYR QD 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 592, 601,
 &end
#
# 37 TYR H 37 TYR QE 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 594, 599,
 &end
#
# 37 TYR H 38 GLY HA2 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 607, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 37 TYR H 37 TYR HB3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 589, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 36 LYS HG2 37 TYR H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 584, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 37 TYR H 37 TYR HB2 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 37 TYR H 71 ALA QB 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1153,1154,1155,
 &end
#
# 22 THR HB 24 ARG H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 355, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 24 ARG H 25 THR HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 381, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 24 ARG H 25 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 TYR HB3 24 ARG H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 355, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 24 ARG H 24 ARG HB3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 24 ARG H 24 ARG HB2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 22 THR QG2 24 ARG H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 326, 327, 328,
 &end
#
# 24 ARG H 24 ARG QG 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 362, 363,
 &end
#
# 20 ASN H 21 LEU H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 301, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 20 ASN H 57 PHE HA 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 917, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 20 ASN H 57 PHE HB3 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 920, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 19 ASP QB 20 ASN H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 279, 280,
 &end
#
# 20 ASN H 21 LEU HG 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 308, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 19 ASP HA 20 ASN H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 287, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 20 ASN H 20 ASN HB2 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 20 ASN H 57 PHE HB2 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 919, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 20 ASN H 21 LEU HB2 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 56 GLY H 57 PHE H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 57 PHE H 57 PHE QE 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 925, 929,
 &end
#
# 57 PHE H 57 PHE QD 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 923, 931,
 &end
#
# 19 ASP HA 57 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ARG HA 57 PHE H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 915, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 55 ARG HB3 57 PHE H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 915, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 45 ILE QG2 57 PHE H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 714, 715, 716,
 &end
#
# 21 LEU QD2 57 PHE H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 314, 315, 316,
 &end
#
# 55 ARG H 57 PHE H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 915, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 57 PHE H 58 ALA H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 55 ARG HB2 57 PHE H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 915, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 34 PHE QE 75 MET H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 537, 541,
 &end
#
# 73 ASP HA 75 MET H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1198, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 72 MET HA 75 MET H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1198, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 75 MET H 76 ASP QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1219,1220,
 &end
#
# 75 MET H 75 MET HB3 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1203, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 75 MET H 75 MET HB2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1202, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 22 THR H 25 THR HB 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 383, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 21 LEU HA 22 THR H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 320, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 21 LEU HG 22 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LEU HB3 22 THR H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 320, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 21 LEU HB2 22 THR H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 320, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 50 TYR H 51 THR H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 822, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 66 ARG H 66 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 ARG QB 66 ARG HE 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1080,1081,
 &end
#
# 92 TYR QD 93 GLY H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1472,1481,
 &end
#
# 92 TYR HA 93 GLY H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 92 TYR HB3 93 GLY H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1469,1485, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 92 TYR HB2 93 GLY H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1485, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 4 GLY H 5 ARG H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  60, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 2 SER QB 4 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  25,  26,
 &end
#
# 11 GLU QG 12 GLY H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 161, 162,
 &end
#
# 11 GLU QB 12 GLY H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 158, 159,
 &end
#
# 11 GLU QB 12 GLY H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 158, 159,
 &end
#
# 12 GLY H 13 MET H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 176, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 11 GLU HA 12 GLY H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 169, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 10 VAL QQG 12 GLY H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 50 TYR H 50 TYR QD 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 809, 818,
 &end
#
# 50 TYR QD 51 THR HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 809, 818,
 &end
#
# 49 ARG QB 50 TYR QD 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 781, 782,
 igr2= 809, 818,
 &end
#
# 49 ARG QB 50 TYR QD 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 781, 782,
 igr2= 809, 818,
 &end
#
# 23 TYR QD 24 ARG H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 342, 351,
 &end
#
# 91 ARG QD 92 TYR QD 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1450,1451,
 igr2=1472,1481,
 &end
#
# 59 PHE QE 92 TYR QD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 955, 959,
 igr2=1472,1481,
 &end
#
# 59 PHE HZ 92 TYR QD 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1472,1481,
 &end
#
# 15 SER QB 92 TYR QD 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 211, 212,
 igr2=1472,1481,
 &end
#
# 92 TYR QD 93 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1472,1481,
 igr2=1487,1488,
 &end
#
# 15 SER QB 92 TYR QD 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 211, 212,
 igr2=1472,1481,
 &end
#
# 90 ALA QB 92 TYR QD 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1434,1435,1436,
 igr2=1472,1481,
 &end
#
# 37 TYR QD 70 ASP HB2 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 592, 601,
 &end
#
# 23 TYR H 23 TYR QD 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 342, 351,
 &end
#
# 44 TYR QD 45 ILE HA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 695, 704,
 &end
#
# 23 TYR HA 23 TYR QD 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 342, 351,
 &end
#
# 23 TYR QD 54 SER QB 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 342, 351,
 igr2= 877, 878,
 &end
#
# 23 TYR QD 24 ARG QG 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 342, 351,
 igr2= 362, 363,
 &end
#
# 23 TYR QD 25 THR H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 342, 351,
 &end
#
# 22 THR QG2 23 TYR QD 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 326, 327, 328,
 igr2= 342, 351,
 &end
#
# 44 TYR QD 45 ILE H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 695, 704,
 &end
#
# 44 TYR QD 59 PHE QB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 695, 704,
 igr2= 949, 950,
 &end
#
# 44 TYR QD 46 PRO QG 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 704,
 igr2= 731, 732,
 &end
#
# 44 TYR QD 45 ILE QG2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 695, 704,
 igr2= 714, 715, 716,
 &end
#
# 34 PHE H 37 TYR QD 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 592, 601,
 &end
#
# 33 VAL HA 37 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 601,
 &end
#
# 36 LYS HG2 37 TYR QD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 592, 601,
 &end
#
# 57 PHE QD 58 ALA H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 923, 931,
 &end
#
# 30 LEU HA 34 PHE QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 60 VAL QQG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 535, 543,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 33 VAL H 34 PHE QD 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 62 PHE HZ 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 535, 543,
 &end
#
# 34 PHE QD 37 TYR QD 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 535, 543,
 igr2= 592, 601,
 &end
#
# 34 PHE HA 34 PHE QD 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 535, 543,
 &end
#
# 18 VAL QQG 34 PHE QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 535, 543,
 &end
#
# 62 PHE QD 67 ASP HB2 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1013,1021,
 &end
#
# 16 LEU QB 62 PHE QD 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 222, 223,
 igr2=1013,1021,
 &end
#
# 41 GLY H 62 PHE QD 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1013,1021,
 &end
#
# 17 LYS HD2 59 PHE QD 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 953, 961,
 &end
#
# 59 PHE QD 60 VAL H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 953, 961,
 &end
#
# 17 LYS HD3 59 PHE QE 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 955, 959,
 &end
#
# 59 PHE QE 92 TYR QE 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 955, 959,
 igr2=1474,1479,
 &end
#
# 46 PRO HD3 59 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 959,
 &end
#
# 17 LYS HD2 59 PHE QE 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 955, 959,
 &end
#
# 62 PHE QE 67 ASP HB2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1015,1019,
 &end
#
# 16 LEU QQD 62 PHE QE 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1015,1019,
 &end
#
# 34 PHE HB3 62 PHE QE 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1015,1019,
 &end
#
# 62 PHE QE 68 ALA HA 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1015,1019,
 &end
#
# 39 ARG HB3 62 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1015,1019,
 &end
#
# 34 PHE H 34 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 71 ALA HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 537, 541,
 &end
#
# 18 VAL QQG 34 PHE QE 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 265, 266, 267, 269, 270, 271,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 60 VAL QQG 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 537, 541,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB3 62 PHE HZ 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,1017, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 34 PHE HB2 62 PHE HZ 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,1017, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 62 PHE HZ 71 ALA QB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1153,1154,1155,
 &end
#
# 40 VAL QQG 62 PHE HZ 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 37 TYR QD 62 PHE HZ 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 592, 601,
 &end
#
# 59 PHE QD 59 PHE HZ 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 953, 961,
 &end
#
# 17 LYS HB2 59 PHE HZ 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 957, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 59 PHE HZ 90 ALA QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1434,1435,1436,
 &end
#
# 17 LYS QE 59 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
# 35 GLU HB3 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 PHE QD 57 PHE HZ 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 923, 931,
 &end
#
# 34 PHE HZ 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HZ 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QD 34 PHE HZ 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 535, 543,
 &end
#
# 16 LEU QQD 34 PHE HZ 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 41 GLY H 63 HIS HD2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1038, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 40 VAL H 63 HIS HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 PHE HA 63 HIS HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 GLY HA3 63 HIS HD2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1038, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 63 HIS HB3 63 HIS HD2 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 99 HIS QB 99 HIS HD2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1571,1572,
 &end
#
# 63 HIS H 63 HIS HE1 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1034, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 63 HIS HB2 63 HIS HE1 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1034, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 39 ARG HB3 63 HIS HE1 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 617,1034, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 44 TYR QE 59 PHE QE 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 697, 702,
 igr2= 955, 959,
 &end
#
# 44 TYR QE 46 PRO HD3 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 697, 702,
 &end
#
# 36 LYS H 37 TYR QE 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 594, 599,
 &end
#
# 37 TYR QE 75 MET H 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 594, 599,
 &end
#
# 44 TYR QE 59 PHE QB 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 697, 702,
 igr2= 949, 950,
 &end
#
# 44 TYR QE 45 ILE H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 47 ARG H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 46 PRO QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 697, 702,
 igr2= 734, 735,
 &end
#
# 90 ALA HA 92 TYR QE 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1432,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1474,1479,
 &end
#
# 91 ARG QD 92 TYR QE 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1450,1451,
 igr2=1474,1479,
 &end
#
# 91 ARG QG 92 TYR QE 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1447,1448,
 igr2=1474,1479,
 &end
#
# 30 LEU H 26 SER O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 402, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=50, rk3=50, ir6=1, ialtd=0,
 &end
#
# 30 LEU N 26 SER O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 402, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 31 ARG H 27 PRO O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 31 ARG N 27 PRO O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 416, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 32 ARG H 28 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 428, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 32 ARG N 28 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 428, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 33 VAL H 29 THR O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 442, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 33 VAL N 29 THR O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 442, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 34 PHE H 30 LEU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 461, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 34 PHE N 30 LEU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 461, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 35 GLU H 31 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 485, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 35 GLU N 31 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 485, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 68 ALA H 64 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1052, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 68 ALA N 64 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1052, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 69 GLU H 65 LYS O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1074, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 69 GLU N 65 LYS O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1074, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 70 ASP H 66 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1098, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 70 ASP N 66 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1098, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 71 ALA H 67 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1110, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 71 ALA N 67 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1148,1110, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 72 MET H 68 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1120, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 72 MET N 68 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1120, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 73 ASP H 69 GLU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1135, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 73 ASP N 69 GLU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1135, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 74 ALA H 70 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1147, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 74 ALA N 70 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1147, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 75 MET H 71 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1157, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 75 MET N 71 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1157, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 76 ASP H 72 MET O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1174, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 76 ASP N 72 MET O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1174, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 17 LYS H 88 GLN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1411, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 17 LYS N 88 GLN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1411, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 88 GLN H 17 LYS O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1396, 257, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 88 GLN N 17 LYS O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1395, 257, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 19 ASP H 86 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1378, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 19 ASP N 86 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1378, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 86 ARG H 19 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1356, 285, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 86 ARG N 19 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1355, 285, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 16 LEU H 62 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1023, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 16 LEU N 62 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 217,1023, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 62 PHE H 16 LEU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1005, 235, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 62 PHE N 16 LEU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1004, 235, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 18 VAL H 60 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 979, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 18 VAL N 60 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 979, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 60 VAL H 18 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 273, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 60 VAL N 18 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 273, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 61 ARG H 42 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 981, 669, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 61 ARG N 42 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 669, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 42 ASP H 61 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 659,1003, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 42 ASP N 61 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 658,1003, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 59 PHE H 44 TYR O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 706, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 59 PHE N 44 TYR O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 706, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 44 TYR H 59 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 963, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 44 TYR N 59 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 963, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &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 = 100., rk3 = 100.,  &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 OG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,29,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=33,38,36,37, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,50,34,35, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=63,69,67,68, &end
#
#  chirality for residue 5 atoms:  CG NE HD2 HD3
 &rst iat=66,72,70,71, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=59,81,62,63, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=93,87,91,92, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=90,84,88,89, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=87,83,85,86, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=83,95,94,90, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=107,101,105,106, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=104,98,102,103, &end
#
#  chirality for residue 7 atoms:  CG N HD2 HD3
 &rst iat=101,97,99,100, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=97,109,108,104, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=121,115,119,120, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=118,112,116,117, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=115,111,113,114, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=111,123,122,118, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=125,135,128,129, &end
#
#  chirality for residue 10 atoms:  CA CG1 CG2 HB
 &rst iat=139,143,147,142, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=137,151,140,141, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=155,160,158,159, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=157,163,161,162, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=153,166,156,157, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=168,173,171,172, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=177,182,180,181, &end
#
#  chirality for residue 13 atoms:  CB SD HG2 HG3
 &rst iat=179,185,183,184, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=175,190,178,179, &end
#
#  chirality for residue 14 atoms:  CA CG2 OG1 HB
 &rst iat=194,198,202,197, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=192,204,195,196, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=208,213,211,212, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=206,215,209,210, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=219,224,222,223, &end
#
#  chirality for residue 16 atoms:  CB CD1 CD2 HG
 &rst iat=221,226,230,225, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=217,234,220,221, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=238,243,241,242, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=240,246,244,245, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=246,252,250,251, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=243,249,247,248, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=236,256,239,240, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=260,264,268,263, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=258,272,261,262, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=276,281,279,280, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=274,284,277,278, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=286,298,289,290, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=302,307,305,306, &end
#
#  chirality for residue 21 atoms:  CB CD1 CD2 HG
 &rst iat=304,309,313,308, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=300,317,303,304, &end
#
#  chirality for residue 22 atoms:  CA CG2 OG1 HB
 &rst iat=321,325,329,324, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=319,331,322,323, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=335,340,338,339, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=333,352,336,337, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=356,361,359,360, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=358,364,362,363, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=361,367,365,366, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=354,376,357,358, &end
#
#  chirality for residue 25 atoms:  CA CG2 OG1 HB
 &rst iat=380,384,388,383, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=378,390,381,382, &end
#
#  chirality for residue 26 atoms:  CA OG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=392,401,395,396, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=413,407,411,412, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=410,404,408,409, &end
#
#  chirality for residue 27 atoms:  CG N HD2 HD3
 &rst iat=407,403,405,406, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=403,415,414,410, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=419,424,422,423, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=417,427,420,421, &end
#
#  chirality for residue 29 atoms:  CA CG2 OG1 HB
 &rst iat=431,435,439,434, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=429,441,432,433, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=445,450,448,449, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=447,452,456,451, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=443,460,446,447, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=464,469,467,468, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=466,472,470,471, &end
#
#  chirality for residue 31 atoms:  CG NE HD2 HD3
 &rst iat=469,475,473,474, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=462,484,465,466, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=490,496,494,495, &end
#
#  chirality for residue 32 atoms:  CG NE HD2 HD3
 &rst iat=493,499,497,498, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=486,508,489,490, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=512,516,520,515, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=510,524,513,514, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=528,533,531,532, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=526,544,529,530, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=550,556,554,555, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=546,559,549,550, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=563,568,566,567, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=571,577,575,576, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=561,581,564,565, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=585,590,588,589, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=583,602,586,587, &end
#
#  chirality for residue 38 atoms:  N C HA2 HA3
 &rst iat=604,609,607,608, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=613,618,616,617, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=615,621,619,620, &end
#
#  chirality for residue 39 atoms:  CG NE HD2 HD3
 &rst iat=618,624,622,623, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=611,633,614,615, &end
#
#  chirality for residue 40 atoms:  CA CG1 CG2 HB
 &rst iat=637,641,645,640, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=635,649,638,639, &end
#
#  chirality for residue 41 atoms:  N C HA2 HA3
 &rst iat=651,656,654,655, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=660,665,663,664, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=658,668,661,662, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=672,676,680,675, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=670,684,673,674, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=688,693,691,692, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=686,705,689,690, &end
#
#  chirality for residue 45 atoms:  CA CG2 CG1 HB
 &rst iat=709,713,717,712, &end
#
#  chirality for residue 45 atoms:  CB CD1 HG12 HG13
 &rst iat=711,720,718,719, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=707,724,710,711, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=736,730,734,735, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=733,727,731,732, &end
#
#  chirality for residue 46 atoms:  CG N HD2 HD3
 &rst iat=730,726,728,729, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=726,738,737,733, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=742,747,745,746, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=744,750,748,749, &end
#
#  chirality for residue 47 atoms:  CG NE HD2 HD3
 &rst iat=747,753,751,752, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=740,762,743,744, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=766,771,769,770, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=764,774,767,768, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=778,783,781,782, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=780,786,784,785, &end
#
#  chirality for residue 49 atoms:  CG NE HD2 HD3
 &rst iat=783,789,787,788, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=776,798,779,780, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=802,807,805,806, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=800,819,803,804, &end
#
#  chirality for residue 51 atoms:  CA CG2 OG1 HB
 &rst iat=823,827,831,826, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=821,833,824,825, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=837,842,840,841, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=839,845,843,844, &end
#
#  chirality for residue 52 atoms:  CD NZ HE2 HE3
 &rst iat=845,851,849,850, &end
#
#  chirality for residue 52 atoms:  CG CE HD2 HD3
 &rst iat=842,848,846,847, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=835,855,838,839, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=859,864,862,863, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=861,867,865,866, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=857,870,860,861, &end
#
#  chirality for residue 54 atoms:  CA OG HB2 HB3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=872,881,875,876, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=885,890,888,889, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=887,893,891,892, &end
#
#  chirality for residue 55 atoms:  CG NE HD2 HD3
 &rst iat=890,896,894,895, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=883,905,886,887, &end
#
#  chirality for residue 56 atoms:  N C HA2 HA3
 &rst iat=907,912,910,911, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=916,921,919,920, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=914,932,917,918, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=934,942,937,938, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=946,951,949,950, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=944,962,947,948, &end
#
#  chirality for residue 60 atoms:  CA CG1 CG2 HB
 &rst iat=966,970,974,969, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=964,978,967,968, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=982,987,985,986, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=984,990,988,989, &end
#
#  chirality for residue 61 atoms:  CG NE HD2 HD3
 &rst iat=987,993,991,992, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=980,1002,983,984, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=1006,1011,1009,1010, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=1004,1022,1007,1008, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1026,1031,1029,1030, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1024,1039,1027,1028, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1041,1051,1044,1045, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1055,1060,1058,1059, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=1057,1063,1061,1062, &end
#
#  chirality for residue 65 atoms:  CD NZ HE2 HE3
 &rst iat=1063,1069,1067,1068, &end
#
#  chirality for residue 65 atoms:  CG CE HD2 HD3
 &rst iat=1060,1066,1064,1065, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1053,1073,1056,1057, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1077,1082,1080,1081, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1079,1085,1083,1084, &end
#
#  chirality for residue 66 atoms:  CG NE HD2 HD3
 &rst iat=1082,1088,1086,1087, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1075,1097,1078,1079, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1101,1106,1104,1105, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1099,1109,1102,1103, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1111,1119,1114,1115, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1123,1128,1126,1127, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1125,1131,1129,1130, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1121,1134,1124,1125, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1138,1143,1141,1142, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1136,1146,1139,1140, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1148,1156,1151,1152, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1160,1165,1163,1164, &end
#
#  chirality for residue 72 atoms:  CB SD HG2 HG3
 &rst iat=1162,1168,1166,1167, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1158,1173,1161,1162, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1177,1182,1180,1181, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1175,1185,1178,1179, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1187,1195,1190,1191, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1199,1204,1202,1203, &end
#
#  chirality for residue 75 atoms:  CB SD HG2 HG3
 &rst iat=1201,1207,1205,1206, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1197,1212,1200,1201, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1216,1221,1219,1220, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1214,1224,1217,1218, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1233,1241,1236,1237, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1245,1249,1253,1248, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1243,1257,1246,1247, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1261,1266,1264,1265, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1263,1268,1272,1267, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1259,1276,1262,1263, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1280,1285,1283,1284, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1278,1288,1281,1282, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1290,1295,1293,1294, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1299,1304,1302,1303, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1301,1307,1305,1306, &end
#
#  chirality for residue 83 atoms:  CG NE HD2 HD3
 &rst iat=1304,1310,1308,1309, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1297,1319,1300,1301, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1323,1328,1326,1327, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1325,1331,1329,1330, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1321,1334,1324,1325, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1338,1343,1341,1342, &end
#
#  chirality for residue 85 atoms:  CB CD1 CD2 HG
 &rst iat=1340,1345,1349,1344, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1336,1353,1339,1340, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1357,1362,1360,1361, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1359,1365,1363,1364, &end
#
#  chirality for residue 86 atoms:  CG NE HD2 HD3
 &rst iat=1362,1368,1366,1367, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1355,1377,1358,1359, &end
#
#  chirality for residue 87 atoms:  CA CG1 CG2 HB
 &rst iat=1381,1385,1389,1384, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1379,1393,1382,1383, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1397,1402,1400,1401, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1399,1405,1403,1404, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1395,1410,1398,1399, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1414,1419,1417,1418, &end
#
#  chirality for residue 89 atoms:  CB SD HG2 HG3
 &rst iat=1416,1422,1420,1421, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1412,1427,1415,1416, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1429,1437,1432,1433, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1441,1446,1444,1445, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1443,1449,1447,1448, &end
#
#  chirality for residue 91 atoms:  CG NE HD2 HD3
 &rst iat=1446,1452,1450,1451, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1439,1461,1442,1443, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1463,1482,1466,1467, &end
#
#  chirality for residue 93 atoms:  N C HA2 HA3
 &rst iat=1484,1489,1487,1488, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1493,1498,1496,1497, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1495,1501,1499,1500, &end
#
#  chirality for residue 94 atoms:  CG NE HD2 HD3
 &rst iat=1498,1504,1502,1503, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1491,1513,1494,1495, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1525,1519,1523,1524, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1522,1516,1520,1521, &end
#
#  chirality for residue 95 atoms:  CG N HD2 HD3
 &rst iat=1519,1515,1517,1518, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1515,1527,1526,1522, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1539,1533,1537,1538, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1536,1530,1534,1535, &end
#
#  chirality for residue 96 atoms:  CG N HD2 HD3
 &rst iat=1533,1529,1531,1532, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1529,1541,1540,1536, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1545,1550,1548,1549, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1543,1553,1546,1547, &end
#
#  chirality for residue 98 atoms:  CA OG HB2 HB3
 &rst iat=1557,1562,1560,1561, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1555,1564,1558,1559, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1568,1573,1571,1572, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1566,1581,1569,1570, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1585,1590,1588,1589, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1583,1598,1586,1587, &end
#
#  chirality for residue 101 atoms:  CA OG HB2 HB3
 &rst iat=1602,1607,1605,1606, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1600,1609,1603,1604, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 100., rk3=100.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=54,52,50,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=61,59,57,54, &end
#
#  trans-omega constraint for residue 6
 &rst iat=93,83,81,61, &end
#
#  trans-omega constraint for residue 7
 &rst iat=107,97,95,93, &end
#
#  trans-omega constraint for residue 8
 &rst iat=121,111,109,107, &end
#
#  trans-omega constraint for residue 9
 &rst iat=127,125,123,121, &end
#
#  trans-omega constraint for residue 10
 &rst iat=139,137,135,127, &end
#
#  trans-omega constraint for residue 11
 &rst iat=155,153,151,139, &end
#
#  trans-omega constraint for residue 12
 &rst iat=170,168,166,155, &end
#
#  trans-omega constraint for residue 13
 &rst iat=177,175,173,170, &end
#
#  trans-omega constraint for residue 14
 &rst iat=194,192,190,177, &end
#
#  trans-omega constraint for residue 15
 &rst iat=208,206,204,194, &end
#
#  trans-omega constraint for residue 16
 &rst iat=219,217,215,208, &end
#
#  trans-omega constraint for residue 17
 &rst iat=238,236,234,219, &end
#
#  trans-omega constraint for residue 18
 &rst iat=260,258,256,238, &end
#
#  trans-omega constraint for residue 19
 &rst iat=276,274,272,260, &end
#
#  trans-omega constraint for residue 20
 &rst iat=288,286,284,276, &end
#
#  trans-omega constraint for residue 21
 &rst iat=302,300,298,288, &end
#
#  trans-omega constraint for residue 22
 &rst iat=321,319,317,302, &end
#
#  trans-omega constraint for residue 23
 &rst iat=335,333,331,321, &end
#
#  trans-omega constraint for residue 24
 &rst iat=356,354,352,335, &end
#
#  trans-omega constraint for residue 25
 &rst iat=380,378,376,356, &end
#
#  trans-omega constraint for residue 26
 &rst iat=394,392,390,380, &end
#
#  trans-omega constraint for residue 27
 &rst iat=413,403,401,394, &end
#
#  trans-omega constraint for residue 28
 &rst iat=419,417,415,413, &end
#
#  trans-omega constraint for residue 29
 &rst iat=431,429,427,419, &end
#
#  trans-omega constraint for residue 30
 &rst iat=445,443,441,431, &end
#
#  trans-omega constraint for residue 31
 &rst iat=464,462,460,445, &end
#
#  trans-omega constraint for residue 32
 &rst iat=488,486,484,464, &end
#
#  trans-omega constraint for residue 33
 &rst iat=512,510,508,488, &end
#
#  trans-omega constraint for residue 34
 &rst iat=528,526,524,512, &end
#
#  trans-omega constraint for residue 35
 &rst iat=548,546,544,528, &end
#
#  trans-omega constraint for residue 36
 &rst iat=563,561,559,548, &end
#
#  trans-omega constraint for residue 37
 &rst iat=585,583,581,563, &end
#
#  trans-omega constraint for residue 38
 &rst iat=606,604,602,585, &end
#
#  trans-omega constraint for residue 39
 &rst iat=613,611,609,606, &end
#
#  trans-omega constraint for residue 40
 &rst iat=637,635,633,613, &end
#
#  trans-omega constraint for residue 41
 &rst iat=653,651,649,637, &end
#
#  trans-omega constraint for residue 42
 &rst iat=660,658,656,653, &end
#
#  trans-omega constraint for residue 43
 &rst iat=672,670,668,660, &end
#
#  trans-omega constraint for residue 44
 &rst iat=688,686,684,672, &end
#
#  trans-omega constraint for residue 45
 &rst iat=709,707,705,688, &end
#
#  trans-omega constraint for residue 46
 &rst iat=736,726,724,709, &end
#
#  trans-omega constraint for residue 47
 &rst iat=742,740,738,736, &end
#
#  trans-omega constraint for residue 48
 &rst iat=766,764,762,742, &end
#
#  trans-omega constraint for residue 49
 &rst iat=778,776,774,766, &end
#
#  trans-omega constraint for residue 50
 &rst iat=802,800,798,778, &end
#
#  trans-omega constraint for residue 51
 &rst iat=823,821,819,802, &end
#
#  trans-omega constraint for residue 52
 &rst iat=837,835,833,823, &end
#
#  trans-omega constraint for residue 53
 &rst iat=859,857,855,837, &end
#
#  trans-omega constraint for residue 54
 &rst iat=874,872,870,859, &end
#
#  trans-omega constraint for residue 55
 &rst iat=885,883,881,874, &end
#
#  trans-omega constraint for residue 56
 &rst iat=909,907,905,885, &end
#
#  trans-omega constraint for residue 57
 &rst iat=916,914,912,909, &end
#
#  trans-omega constraint for residue 58
 &rst iat=936,934,932,916, &end
#
#  trans-omega constraint for residue 59
 &rst iat=946,944,942,936, &end
#
#  trans-omega constraint for residue 60
 &rst iat=966,964,962,946, &end
#
#  trans-omega constraint for residue 61
 &rst iat=982,980,978,966, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1006,1004,1002,982, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1026,1024,1022,1006, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1043,1041,1039,1026, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1055,1053,1051,1043, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1077,1075,1073,1055, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1101,1099,1097,1077, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1113,1111,1109,1101, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1123,1121,1119,1113, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1138,1136,1134,1123, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1150,1148,1146,1138, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1160,1158,1156,1150, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1177,1175,1173,1160, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1189,1187,1185,1177, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1199,1197,1195,1189, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1216,1214,1212,1199, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1228,1226,1224,1216, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1235,1233,1231,1228, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1245,1243,1241,1235, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1261,1259,1257,1245, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1280,1278,1276,1261, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1292,1290,1288,1280, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1299,1297,1295,1292, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1323,1321,1319,1299, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1338,1336,1334,1323, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1357,1355,1353,1338, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1381,1379,1377,1357, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1397,1395,1393,1381, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1414,1412,1410,1397, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1431,1429,1427,1414, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1441,1439,1437,1431, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1465,1463,1461,1441, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1486,1484,1482,1465, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1493,1491,1489,1486, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1525,1515,1513,1493, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1539,1529,1527,1525, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1545,1543,1541,1539, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1557,1555,1553,1545, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1568,1566,1564,1557, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1585,1583,1581,1568, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1602,1600,1598,1585, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H1       MET   1  16.710 -20.235  15.276
    2    HA   MET   1           HA       MET   1  14.432 -20.801  14.920
    3    HB2  MET   1           HB2      MET   1  13.931 -21.329  17.290
    4    HB3  MET   1           HB3      MET   1  14.031 -19.606  17.697
    5    HG2  MET   1           HG2      MET   1  12.170 -19.135  16.133
    6    HG3  MET   1           HG3      MET   1  12.097 -20.846  15.699
    7    HE1  MET   1           HE1      MET   1   9.600 -19.115  16.558
    8    HE2  MET   1           HE2      MET   1   9.515 -20.840  16.140
    9    HE3  MET   1           HE3      MET   1   8.757 -20.255  17.636
   10    H    SER   2           H        SER   2  13.663 -19.368  13.476
   11    HA   SER   2           HA       SER   2  13.565 -16.509  14.108
   12    HB2  SER   2           HB2      SER   2  14.852 -15.878  12.102
   13    HB3  SER   2           HB3      SER   2  15.861 -16.782  13.254
   14    HG   SER   2           HG       SER   2  16.091 -17.534  11.096
   15    H    TYR   3           H        TYR   3  12.740 -15.334  11.992
   16    HA   TYR   3           HA       TYR   3  10.920 -17.033  10.406
   17    HB2  TYR   3           HB2      TYR   3   8.975 -15.660  11.033
   18    HB3  TYR   3           HB3      TYR   3   9.644 -16.505  12.430
   19    HD1  TYR   3           HD1      TYR   3  10.826 -15.282  14.212
   20    HD2  TYR   3           HD2      TYR   3   9.095 -13.230  10.843
   21    HE1  TYR   3           HE1      TYR   3  11.048 -13.127  15.421
   22    HE2  TYR   3           HE2      TYR   3   9.304 -11.074  12.054
   23    HH   TYR   3           HH       TYR   3  10.713 -10.855  15.344
   24    H    GLY   4           H        GLY   4  12.877 -14.233  10.812
   25    HA2  GLY   4           HA2      GLY   4  13.335 -13.513   8.278
   26    HA3  GLY   4           HA3      GLY   4  11.725 -12.796   8.522
   27    H    ARG   5           H        ARG   5  12.181 -12.302  11.351
   28    HA   ARG   5           HA       ARG   5  12.742 -10.620  12.744
   29    HB2  ARG   5           HB2      ARG   5  15.344 -10.890  11.257
   30    HB3  ARG   5           HB3      ARG   5  15.115  -9.814  12.649
   31    HG2  ARG   5           HG2      ARG   5  14.327 -11.687  14.028
   32    HG3  ARG   5           HG3      ARG   5  14.428 -12.790  12.639
   33    HD2  ARG   5           HD2      ARG   5  16.383 -13.101  13.994
   34    HD3  ARG   5           HD3      ARG   5  16.840 -12.319  12.455
   35    HE   ARG   5           HE       ARG   5  16.340 -10.343  14.482
   36   HH11  ARG   5          HH11      ARG   5  18.729 -12.745  13.495
   37   HH12  ARG   5          HH12      ARG   5  20.073 -11.873  14.204
   38   HH21  ARG   5          HH21      ARG   5  18.107  -9.234  15.415
   39   HH22  ARG   5          HH22      ARG   5  19.719  -9.905  15.294
   40    HA   PRO   6           HA       PRO   6  11.800  -6.567  11.233
   41    HB2  PRO   6           HB2      PRO   6  14.055  -5.721  13.057
   42    HB3  PRO   6           HB3      PRO   6  12.423  -5.004  12.893
   43    HG2  PRO   6           HG2      PRO   6  12.994  -6.659  14.962
   44    HG3  PRO   6           HG3      PRO   6  11.433  -6.805  14.090
   45    HD2  PRO   6           HD2      PRO   6  13.904  -8.522  13.821
   46    HD3  PRO   6           HD3      PRO   6  12.174  -8.986  13.813
   47    HA   PRO   7           HA       PRO   7  14.547  -5.332   8.010
   48    HB2  PRO   7           HB2      PRO   7  14.417  -2.559   9.183
   49    HB3  PRO   7           HB3      PRO   7  14.195  -3.057   7.473
   50    HG2  PRO   7           HG2      PRO   7  12.036  -2.494   8.980
   51    HG3  PRO   7           HG3      PRO   7  12.029  -3.951   7.938
   52    HD2  PRO   7           HD2      PRO   7  12.545  -3.783  10.912
   53    HD3  PRO   7           HD3      PRO   7  11.548  -4.960  10.004
   54    HA   PRO   8           HA       PRO   8  18.647  -4.988   9.685
   55    HB2  PRO   8           HB2      PRO   8  20.130  -4.557   7.479
   56    HB3  PRO   8           HB3      PRO   8  19.064  -5.979   7.571
   57    HG2  PRO   8           HG2      PRO   8  18.399  -3.306   6.291
   58    HG3  PRO   8           HG3      PRO   8  18.316  -4.933   5.538
   59    HD2  PRO   8           HD2      PRO   8  16.159  -3.725   6.734
   60    HD3  PRO   8           HD3      PRO   8  16.401  -5.509   6.782
   61    H    ASP   9           H        ASP   9  20.351  -2.942   7.992
   62    HA   ASP   9           HA       ASP   9  20.170  -0.884  10.032
   63    HB2  ASP   9           HB2      ASP   9  22.201  -0.039   9.040
   64    HB3  ASP   9           HB3      ASP   9  22.316  -1.786   9.333
   65    H    VAL  10           H        VAL  10  17.856  -0.890   8.376
   66    HA   VAL  10           HA       VAL  10  17.916   1.168   6.408
   67    HB   VAL  10           HB       VAL  10  15.459   1.189   6.699
   68   HG11  VAL  10          HG11      VAL  10  15.069  -1.185   6.192
   69   HG12  VAL  10          HG12      VAL  10  16.534  -0.603   5.374
   70   HG13  VAL  10          HG13      VAL  10  16.675  -1.597   6.838
   71   HG21  VAL  10          HG21      VAL  10  14.406  -0.248   8.403
   72   HG22  VAL  10          HG22      VAL  10  16.002  -0.655   9.069
   73   HG23  VAL  10          HG23      VAL  10  15.389   1.010   9.173
   74    H    GLU  11           H        GLU  11  18.856   1.520   9.439
   75    HA   GLU  11           HA       GLU  11  17.519   3.792  10.482
   76    HB2  GLU  11           HB2      GLU  11  20.370   2.757  10.786
   77    HB3  GLU  11           HB3      GLU  11  19.664   4.034  11.799
   78    HG2  GLU  11           HG2      GLU  11  18.630   1.173  11.561
   79    HG3  GLU  11           HG3      GLU  11  19.570   1.831  12.903
   80    H    GLY  12           H        GLY  12  19.549   3.529   7.711
   81    HA2  GLY  12           HA2      GLY  12  20.505   6.315   7.831
   82    HA3  GLY  12           HA3      GLY  12  20.870   5.096   6.589
   83    H    MET  13           H        MET  13  17.602   4.931   7.137
   84    HA   MET  13           HA       MET  13  16.814   7.094   5.266
   85    HB2  MET  13           HB2      MET  13  16.088   4.146   4.956
   86    HB3  MET  13           HB3      MET  13  15.468   5.492   3.987
   87    HG2  MET  13           HG2      MET  13  17.129   4.630   2.620
   88    HG3  MET  13           HG3      MET  13  17.947   5.973   3.420
   89    HE1  MET  13           HE1      MET  13  17.073   2.251   4.556
   90    HE2  MET  13           HE2      MET  13  17.620   2.166   2.863
   91    HE3  MET  13           HE3      MET  13  18.608   1.452   4.163
   92    H    THR  14           H        THR  14  14.197   6.961   5.184
   93    HA   THR  14           HA       THR  14  13.192   5.983   7.785
   94    HB   THR  14           HB       THR  14  12.849   8.877   6.907
   95   HG21  THR  14          HG21      THR  14  12.019   7.344   9.409
   96   HG22  THR  14          HG22      THR  14  11.904   9.114   9.223
   97   HG23  THR  14          HG23      THR  14  10.927   8.047   8.196
   98    H    SER  15           H        SER  15  12.479   7.275   4.539
   99    HA   SER  15           HA       SER  15   9.608   7.115   4.840
  100    HB2  SER  15           HB2      SER  15  11.386   7.163   2.368
  101    HB3  SER  15           HB3      SER  15   9.629   7.393   2.381
  102    HG   SER  15           HG       SER  15  11.539   9.004   3.745
  103    H    LEU  16           H        LEU  16   8.191   5.611   4.440
  104    HA   LEU  16           HA       LEU  16   9.146   2.897   3.617
  105    HB2  LEU  16           HB2      LEU  16   7.680   3.220   5.659
  106    HB3  LEU  16           HB3      LEU  16   6.403   3.808   4.577
  107    HG   LEU  16           HG       LEU  16   6.478   1.591   3.378
  108   HD11  LEU  16          HD11      LEU  16   8.802   0.965   4.063
  109   HD12  LEU  16          HD12      LEU  16   8.243   0.790   5.735
  110   HD13  LEU  16          HD13      LEU  16   7.619  -0.287   4.467
  111   HD21  LEU  16          HD21      LEU  16   5.908   1.500   6.359
  112   HD22  LEU  16          HD22      LEU  16   4.790   2.043   5.083
  113   HD23  LEU  16          HD23      LEU  16   5.296   0.350   5.143
  114    H    LYS  17           H        LYS  17   7.936   1.798   1.957
  115    HA   LYS  17           HA       LYS  17   6.260   3.349   0.059
  116    HB2  LYS  17           HB2      LYS  17   8.225   3.538  -1.109
  117    HB3  LYS  17           HB3      LYS  17   8.904   2.044  -0.442
  118    HG2  LYS  17           HG2      LYS  17   8.529   1.729  -2.759
  119    HG3  LYS  17           HG3      LYS  17   7.371   0.716  -1.877
  120    HD2  LYS  17           HD2      LYS  17   5.655   2.556  -2.236
  121    HD3  LYS  17           HD3      LYS  17   6.844   3.375  -3.272
  122    HE2  LYS  17           HE2      LYS  17   5.768   0.568  -3.705
  123    HE3  LYS  17           HE3      LYS  17   5.224   2.016  -4.563
  124    HZ1  LYS  17           HZ1      LYS  17   7.456   2.283  -5.422
  125    HZ2  LYS  17           HZ2      LYS  17   7.965   0.933  -4.631
  126    HZ3  LYS  17           HZ3      LYS  17   6.860   0.811  -5.835
  127    H    VAL  18           H        VAL  18   4.553   2.122  -0.599
  128    HA   VAL  18           HA       VAL  18   4.650  -0.850  -0.144
  129    HB   VAL  18           HB       VAL  18   2.550   1.205   0.500
  130   HG11  VAL  18          HG11      VAL  18   2.103  -1.783   0.078
  131   HG12  VAL  18          HG12      VAL  18   0.934  -0.665   0.838
  132   HG13  VAL  18          HG13      VAL  18   1.369  -0.479  -0.867
  133   HG21  VAL  18          HG21      VAL  18   4.185   0.490   2.236
  134   HG22  VAL  18          HG22      VAL  18   2.522   0.010   2.649
  135   HG23  VAL  18          HG23      VAL  18   3.660  -1.194   1.986
  136    H    ASP  19           H        ASP  19   3.731  -2.084  -1.650
  137    HA   ASP  19           HA       ASP  19   2.800  -0.979  -4.236
  138    HB2  ASP  19           HB2      ASP  19   4.929  -1.030  -4.909
  139    HB3  ASP  19           HB3      ASP  19   5.460  -1.994  -3.529
  140    H    ASN  20           H        ASN  20   2.402  -2.867  -5.760
  141    HA   ASN  20           HA       ASN  20   1.278  -4.684  -6.378
  142    HB2  ASN  20           HB2      ASN  20   2.726  -5.829  -4.576
  143    HB3  ASN  20           HB3      ASN  20   1.239  -5.872  -3.621
  144   HD21  ASN  20          HD22      ASN  20   1.109  -8.164  -3.752
  145   HD22  ASN  20          HD21      ASN  20   0.633  -8.962  -5.240
  146    H    LEU  21           H        LEU  21  -0.698  -4.207  -6.998
  147    HA   LEU  21           HA       LEU  21  -2.877  -3.865  -4.984
  148    HB2  LEU  21           HB2      LEU  21  -2.576  -2.271  -7.544
  149    HB3  LEU  21           HB3      LEU  21  -3.810  -2.068  -6.295
  150    HG   LEU  21           HG       LEU  21  -0.838  -1.524  -5.963
  151   HD11  LEU  21          HD11      LEU  21  -3.270   0.310  -6.192
  152   HD12  LEU  21          HD12      LEU  21  -1.588   0.835  -5.959
  153   HD13  LEU  21          HD13      LEU  21  -2.063   0.036  -7.471
  154   HD21  LEU  21          HD21      LEU  21  -1.275  -0.736  -3.812
  155   HD22  LEU  21          HD22      LEU  21  -3.051  -0.721  -4.066
  156   HD23  LEU  21          HD23      LEU  21  -2.166  -2.257  -3.875
  157    H    THR  22           H        THR  22  -5.048  -3.789  -6.289
  158    HA   THR  22           HA       THR  22  -5.013  -5.859  -8.434
  159    HB   THR  22           HB       THR  22  -5.812  -6.758  -6.263
  160   HG21  THR  22          HG21      THR  22  -6.924  -4.677  -5.417
  161   HG22  THR  22          HG22      THR  22  -8.201  -4.897  -6.633
  162   HG23  THR  22          HG23      THR  22  -7.962  -6.112  -5.360
  163    H    TYR  23           H        TYR  23  -5.199  -2.752  -8.274
  164    HA   TYR  23           HA       TYR  23  -6.028  -1.193  -9.676
  165    HB2  TYR  23           HB2      TYR  23  -6.577  -2.002 -11.638
  166    HB3  TYR  23           HB3      TYR  23  -6.883  -3.587 -10.949
  167    HD1  TYR  23           HD2      TYR  23  -9.312  -3.896  -9.835
  168    HD2  TYR  23           HD1      TYR  23  -8.267  -0.850 -12.700
  169    HE1  TYR  23           HE2      TYR  23 -11.696  -3.648 -10.437
  170    HE2  TYR  23           HE1      TYR  23 -10.655  -0.600 -13.302
  171    HH   TYR  23           HH       TYR  23 -12.811  -1.317 -12.913
  172    H    ARG  24           H        ARG  24  -7.712  -2.709  -7.287
  173    HA   ARG  24           HA       ARG  24  -9.712  -0.482  -7.156
  174    HB2  ARG  24           HB2      ARG  24 -10.701  -2.505  -8.161
  175    HB3  ARG  24           HB3      ARG  24 -10.226  -3.450  -6.756
  176    HG2  ARG  24           HG2      ARG  24 -11.790  -2.191  -5.338
  177    HG3  ARG  24           HG3      ARG  24 -12.080  -1.018  -6.638
  178    HD2  ARG  24           HD2      ARG  24 -13.936  -2.585  -6.501
  179    HD3  ARG  24           HD3      ARG  24 -13.052  -2.817  -8.024
  180    HE   ARG  24           HE       ARG  24 -12.105  -4.558  -5.902
  181   HH11  ARG  24          HH11      ARG  24 -14.591  -4.193  -8.389
  182   HH12  ARG  24          HH12      ARG  24 -14.897  -5.912  -8.505
  183   HH21  ARG  24          HH21      ARG  24 -12.511  -6.781  -6.077
  184   HH22  ARG  24          HH22      ARG  24 -13.713  -7.378  -7.200
  185    H    THR  25           H        THR  25  -7.138  -1.928  -5.638
  186    HA   THR  25           HA       THR  25  -7.991  -2.102  -2.931
  187    HB   THR  25           HB       THR  25  -5.310  -1.334  -4.156
  188   HG21  THR  25          HG21      THR  25  -4.350  -2.035  -1.993
  189   HG22  THR  25          HG22      THR  25  -5.429  -0.640  -1.804
  190   HG23  THR  25          HG23      THR  25  -5.998  -2.262  -1.339
  191    H    SER  26           H        SER  26  -6.776   0.639  -4.878
  192    HA   SER  26           HA       SER  26  -6.779   2.845  -4.628
  193    HB2  SER  26           HB2      SER  26  -9.181   2.188  -2.910
  194    HB3  SER  26           HB3      SER  26  -8.759   3.838  -3.405
  195    HG   SER  26           HG       SER  26 -10.210   2.829  -4.865
  196    HA   PRO  27           HA       PRO  27  -4.299   4.288  -1.304
  197    HB2  PRO  27           HB2      PRO  27  -5.055   6.945  -1.188
  198    HB3  PRO  27           HB3      PRO  27  -3.936   6.235  -2.393
  199    HG2  PRO  27           HG2      PRO  27  -6.857   6.899  -2.673
  200    HG3  PRO  27           HG3      PRO  27  -5.549   7.107  -3.871
  201    HD2  PRO  27           HD2      PRO  27  -7.328   5.041  -3.952
  202    HD3  PRO  27           HD3      PRO  27  -5.637   4.837  -4.476
  203    H    ASP  28           H        ASP  28  -7.822   4.833  -1.075
  204    HA   ASP  28           HA       ASP  28  -7.775   5.810   1.623
  205    HB2  ASP  28           HB2      ASP  28  -9.653   6.014  -0.030
  206    HB3  ASP  28           HB3      ASP  28  -9.934   4.264   0.176
  207    H    THR  29           H        THR  29  -8.221   2.496   0.226
  208    HA   THR  29           HA       THR  29  -8.784   1.295   2.779
  209    HB   THR  29           HB       THR  29  -7.516  -0.019   0.348
  210   HG21  THR  29          HG21      THR  29  -8.752  -2.015   1.172
  211   HG22  THR  29          HG22      THR  29  -7.562  -1.423   2.345
  212   HG23  THR  29          HG23      THR  29  -9.296  -1.080   2.580
  213    H    LEU  30           H        LEU  30  -5.840   1.785   0.790
  214    HA   LEU  30           HA       LEU  30  -4.054   0.378   2.497
  215    HB2  LEU  30           HB2      LEU  30  -3.625   2.803   0.698
  216    HB3  LEU  30           HB3      LEU  30  -2.327   1.818   1.384
  217    HG   LEU  30           HG       LEU  30  -4.508   0.624  -0.354
  218   HD11  LEU  30          HD11      LEU  30  -1.798   1.762  -1.172
  219   HD12  LEU  30          HD12      LEU  30  -2.883   0.824  -2.224
  220   HD13  LEU  30          HD13      LEU  30  -3.408   2.404  -1.606
  221   HD21  LEU  30          HD21      LEU  30  -2.771  -1.118  -0.722
  222   HD22  LEU  30          HD22      LEU  30  -1.675  -0.238   0.369
  223   HD23  LEU  30          HD23      LEU  30  -3.179  -0.956   1.004
  224    H    ARG  31           H        ARG  31  -5.435   3.686   2.633
  225    HA   ARG  31           HA       ARG  31  -3.520   4.784   4.380
  226    HB2  ARG  31           HB2      ARG  31  -5.605   5.815   3.052
  227    HB3  ARG  31           HB3      ARG  31  -6.458   5.503   4.565
  228    HG2  ARG  31           HG2      ARG  31  -4.075   7.311   4.063
  229    HG3  ARG  31           HG3      ARG  31  -5.693   7.763   4.629
  230    HD2  ARG  31           HD2      ARG  31  -5.245   6.471   6.737
  231    HD3  ARG  31           HD3      ARG  31  -3.587   6.213   6.161
  232    HE   ARG  31           HE       ARG  31  -3.086   8.487   6.478
  233   HH11  ARG  31          HH11      ARG  31  -6.463   7.806   7.293
  234   HH12  ARG  31          HH12      ARG  31  -6.678   9.319   8.145
  235   HH21  ARG  31          HH21      ARG  31  -3.402  10.453   7.589
  236   HH22  ARG  31          HH22      ARG  31  -4.951  10.806   8.314
  237    H    ARG  32           H        ARG  32  -6.730   3.339   5.142
  238    HA   ARG  32           HA       ARG  32  -6.115   3.367   7.994
  239    HB2  ARG  32           HB2      ARG  32  -8.403   2.487   8.222
  240    HB3  ARG  32           HB3      ARG  32  -8.362   3.839   7.076
  241    HG2  ARG  32           HG2      ARG  32  -7.931   1.729   5.376
  242    HG3  ARG  32           HG3      ARG  32  -8.963   0.958   6.587
  243    HD2  ARG  32           HD2      ARG  32  -9.547   3.544   5.085
  244    HD3  ARG  32           HD3      ARG  32 -10.237   1.960   4.706
  245    HE   ARG  32           HE       ARG  32 -10.854   2.414   7.394
  246   HH11  ARG  32          HH11      ARG  32 -11.512   4.035   4.303
  247   HH12  ARG  32          HH12      ARG  32 -13.025   4.702   4.848
  248   HH21  ARG  32          HH21      ARG  32 -12.840   3.316   8.064
  249   HH22  ARG  32          HH22      ARG  32 -13.775   4.308   6.971
  250    H    VAL  33           H        VAL  33  -5.224   1.278   5.535
  251    HA   VAL  33           HA       VAL  33  -5.165  -1.138   7.251
  252    HB   VAL  33           HB       VAL  33  -4.561  -0.469   4.378
  253   HG11  VAL  33          HG11      VAL  33  -3.769  -3.045   5.794
  254   HG12  VAL  33          HG12      VAL  33  -3.844  -2.832   4.032
  255   HG13  VAL  33          HG13      VAL  33  -2.688  -1.881   4.992
  256   HG21  VAL  33          HG21      VAL  33  -6.869  -1.069   5.196
  257   HG22  VAL  33          HG22      VAL  33  -6.233  -2.221   4.006
  258   HG23  VAL  33          HG23      VAL  33  -6.231  -2.635   5.746
  259    H    PHE  34           H        PHE  34  -3.222   1.617   6.562
  260    HA   PHE  34           HA       PHE  34  -0.796   0.171   7.572
  261    HB2  PHE  34           HB2      PHE  34  -1.214   2.164   5.337
  262    HB3  PHE  34           HB3      PHE  34   0.310   2.158   6.195
  263    HD1  PHE  34           HD1      PHE  34   1.628   0.055   6.411
  264    HD2  PHE  34           HD2      PHE  34  -1.584   0.539   3.624
  265    HE1  PHE  34           HE1      PHE  34   2.514  -1.860   5.080
  266    HE2  PHE  34           HE2      PHE  34  -0.703  -1.325   2.260
  267    HZ   PHE  34           HZ       PHE  34   1.344  -2.565   3.020
  268    H    GLU  35           H        GLU  35  -2.632   3.264   7.557
  269    HA   GLU  35           HA       GLU  35  -0.806   4.434   9.343
  270    HB2  GLU  35           HB2      GLU  35  -2.287   6.277   9.490
  271    HB3  GLU  35           HB3      GLU  35  -2.641   5.559   7.922
  272    HG2  GLU  35           HG2      GLU  35  -4.756   5.956   8.766
  273    HG3  GLU  35           HG3      GLU  35  -4.497   4.248   9.166
  274    H    LYS  36           H        LYS  36  -3.141   1.996   9.734
  275    HA   LYS  36           HA       LYS  36  -4.147   2.463  12.323
  276    HB2  LYS  36           HB2      LYS  36  -4.727   0.091  12.285
  277    HB3  LYS  36           HB3      LYS  36  -5.034   0.826  10.692
  278    HG2  LYS  36           HG2      LYS  36  -2.744  -0.059   9.978
  279    HG3  LYS  36           HG3      LYS  36  -2.714  -0.970  11.503
  280    HD2  LYS  36           HD2      LYS  36  -4.654  -1.267   9.182
  281    HD3  LYS  36           HD3      LYS  36  -3.492  -2.460   9.793
  282    HE2  LYS  36           HE2      LYS  36  -4.799  -2.410  11.980
  283    HE3  LYS  36           HE3      LYS  36  -6.007  -1.417  11.131
  284    HZ1  LYS  36           HZ1      LYS  36  -6.317  -3.191   9.580
  285    HZ2  LYS  36           HZ2      LYS  36  -5.189  -4.126  10.330
  286    HZ3  LYS  36           HZ3      LYS  36  -6.589  -3.742  11.101
  287    H    TYR  37           H        TYR  37  -1.077   1.050  11.215
  288    HA   TYR  37           HA       TYR  37  -0.415   0.027  13.810
  289    HB2  TYR  37           HB2      TYR  37   1.279   0.644  11.358
  290    HB3  TYR  37           HB3      TYR  37   1.862  -0.234  12.774
  291    HD1  TYR  37           HD1      TYR  37   1.018  -2.478  13.318
  292    HD2  TYR  37           HD2      TYR  37  -0.216  -0.419   9.745
  293    HE1  TYR  37           HE1      TYR  37   0.110  -4.598  12.409
  294    HE2  TYR  37           HE2      TYR  37  -1.100  -2.536   8.822
  295    HH   TYR  37           HH       TYR  37  -0.987  -5.612  10.663
  296    H    GLY  38           H        GLY  38  -0.200   3.140  12.265
  297    HA2  GLY  38           HA2      GLY  38   0.504   4.426  14.730
  298    HA3  GLY  38           HA3      GLY  38   1.916   4.361  13.654
  299    H    ARG  39           H        ARG  39   1.414   5.099  11.290
  300    HA   ARG  39           HA       ARG  39  -0.836   6.812  10.819
  301    HB2  ARG  39           HB2      ARG  39   0.934   8.115  12.408
  302    HB3  ARG  39           HB3      ARG  39   1.768   8.347  10.863
  303    HG2  ARG  39           HG2      ARG  39   0.362  10.254  11.379
  304    HG3  ARG  39           HG3      ARG  39  -0.270   9.438   9.939
  305    HD2  ARG  39           HD2      ARG  39  -1.997   8.347  11.251
  306    HD3  ARG  39           HD3      ARG  39  -1.265   8.927  12.762
  307    HE   ARG  39           HE       ARG  39  -1.757  11.270  11.587
  308   HH11  ARG  39          HH11      ARG  39  -3.864   8.422  11.737
  309   HH12  ARG  39          HH12      ARG  39  -5.326   9.379  11.746
  310   HH21  ARG  39          HH21      ARG  39  -3.681  12.465  11.570
  311   HH22  ARG  39          HH22      ARG  39  -5.228  11.648  11.621
  312    H    VAL  40           H        VAL  40  -0.594   8.016   8.760
  313    HA   VAL  40           HA       VAL  40   1.444   6.830   6.936
  314    HB   VAL  40           HB       VAL  40  -1.560   7.087   6.543
  315   HG11  VAL  40          HG11      VAL  40   0.615   6.601   4.471
  316   HG12  VAL  40          HG12      VAL  40  -1.126   6.314   4.213
  317   HG13  VAL  40          HG13      VAL  40  -0.534   7.968   4.489
  318   HG21  VAL  40          HG21      VAL  40  -0.377   4.953   7.471
  319   HG22  VAL  40          HG22      VAL  40  -1.489   4.756   6.084
  320   HG23  VAL  40          HG23      VAL  40   0.266   4.782   5.826
  321    H    GLY  41           H        GLY  41   2.731   8.564   6.861
  322    HA2  GLY  41           HA2      GLY  41   1.952  11.289   6.789
  323    HA3  GLY  41           HA3      GLY  41   3.494  10.622   6.207
  324    H    ASP  42           H        ASP  42   2.061   8.838   4.229
  325    HA   ASP  42           HA       ASP  42   0.824  10.699   2.320
  326    HB2  ASP  42           HB2      ASP  42   3.589   9.483   2.033
  327    HB3  ASP  42           HB3      ASP  42   2.624   9.870   0.610
  328    H    VAL  43           H        VAL  43  -0.452   9.545   0.866
  329    HA   VAL  43           HA       VAL  43   0.072   6.691   0.443
  330    HB   VAL  43           HB       VAL  43  -1.560   7.259   2.505
  331   HG11  VAL  43          HG11      VAL  43  -3.501   6.917   0.200
  332   HG12  VAL  43          HG12      VAL  43  -3.885   6.895   1.927
  333   HG13  VAL  43          HG13      VAL  43  -3.298   8.397   1.193
  334   HG21  VAL  43          HG21      VAL  43  -1.739   4.942   0.599
  335   HG22  VAL  43          HG22      VAL  43  -0.814   5.098   2.136
  336   HG23  VAL  43          HG23      VAL  43  -2.569   5.009   2.176
  337    H    TYR  44           H        TYR  44   0.141   6.591  -1.732
  338    HA   TYR  44           HA       TYR  44  -2.172   7.605  -3.210
  339    HB2  TYR  44           HB2      TYR  44  -1.163   9.187  -4.507
  340    HB3  TYR  44           HB3      TYR  44  -0.403   9.507  -2.962
  341    HD1  TYR  44           HD2      TYR  44   0.031   8.265  -6.375
  342    HD2  TYR  44           HD1      TYR  44   2.006   8.937  -2.616
  343    HE1  TYR  44           HE2      TYR  44   2.219   8.022  -7.496
  344    HE2  TYR  44           HE1      TYR  44   4.207   8.721  -3.731
  345    HH   TYR  44           HH       TYR  44   5.318   8.368  -5.711
  346    H    ILE  45           H        ILE  45  -1.980   7.089  -5.590
  347    HA   ILE  45           HA       ILE  45  -0.468   4.547  -5.989
  348    HB   ILE  45           HB       ILE  45  -3.342   5.258  -6.643
  349   HG12  ILE  45          HG12      ILE  45  -3.811   3.035  -5.732
  350   HG13  ILE  45          HG13      ILE  45  -2.095   2.781  -5.373
  351   HG21  ILE  45          HG21      ILE  45  -3.406   3.186  -7.995
  352   HG22  ILE  45          HG22      ILE  45  -2.291   4.389  -8.687
  353   HG23  ILE  45          HG23      ILE  45  -1.657   2.992  -7.783
  354   HD11  ILE  45          HD11      ILE  45  -3.624   5.109  -4.197
  355   HD12  ILE  45          HD12      ILE  45  -3.671   3.488  -3.466
  356   HD13  ILE  45          HD13      ILE  45  -2.129   4.341  -3.590
  357    HA   PRO  46           HA       PRO  46   1.051   7.154  -9.386
  358    HB2  PRO  46           HB2      PRO  46   3.145   5.544 -10.086
  359    HB3  PRO  46           HB3      PRO  46   3.159   6.560  -8.615
  360    HG2  PRO  46           HG2      PRO  46   2.454   3.627  -8.834
  361    HG3  PRO  46           HG3      PRO  46   3.564   4.446  -7.655
  362    HD2  PRO  46           HD2      PRO  46   0.995   3.807  -7.056
  363    HD3  PRO  46           HD3      PRO  46   1.791   5.284  -6.420
  364    H    ARG  47           H        ARG  47  -1.296   5.615  -9.834
  365    HA   ARG  47           HA       ARG  47  -0.958   3.674 -11.919
  366    HB2  ARG  47           HB2      ARG  47  -3.310   3.746 -12.204
  367    HB3  ARG  47           HB3      ARG  47  -3.027   3.932 -10.477
  368    HG2  ARG  47           HG2      ARG  47  -3.400   6.407 -10.762
  369    HG3  ARG  47           HG3      ARG  47  -3.665   6.102 -12.509
  370    HD2  ARG  47           HD2      ARG  47  -5.447   4.414 -11.819
  371    HD3  ARG  47           HD3      ARG  47  -5.367   5.131 -10.201
  372    HE   ARG  47           HE       ARG  47  -6.363   7.097 -11.028
  373   HH11  ARG  47          HH11      ARG  47  -5.707   4.822 -13.683
  374   HH12  ARG  47          HH12      ARG  47  -6.654   5.729 -14.830
  375   HH21  ARG  47          HH21      ARG  47  -7.584   8.240 -12.568
  376   HH22  ARG  47          HH22      ARG  47  -7.725   7.636 -14.203
  377    H    ASP  48           H        ASP  48  -2.377   4.140 -14.058
  378    HA   ASP  48           HA       ASP  48  -0.779   5.738 -15.739
  379    HB2  ASP  48           HB2      ASP  48  -3.596   4.642 -16.057
  380    HB3  ASP  48           HB3      ASP  48  -2.641   5.339 -17.375
  381    H    ARG  49           H        ARG  49  -2.072   7.362 -17.327
  382    HA   ARG  49           HA       ARG  49  -3.461   9.374 -15.646
  383    HB2  ARG  49           HB2      ARG  49  -0.997   9.781 -15.672
  384    HB3  ARG  49           HB3      ARG  49  -1.039   9.886 -17.429
  385    HG2  ARG  49           HG2      ARG  49  -0.949  12.092 -16.337
  386    HG3  ARG  49           HG3      ARG  49  -2.409  11.919 -17.309
  387    HD2  ARG  49           HD2      ARG  49  -3.725  11.414 -15.278
  388    HD3  ARG  49           HD3      ARG  49  -2.261  11.489 -14.289
  389    HE   ARG  49           HE       ARG  49  -3.767  13.740 -15.460
  390   HH11  ARG  49          HH11      ARG  49  -0.793  12.689 -13.860
  391   HH12  ARG  49          HH12      ARG  49  -0.378  14.291 -13.302
  392   HH21  ARG  49          HH21      ARG  49  -3.207  15.820 -14.729
  393   HH22  ARG  49          HH22      ARG  49  -1.745  16.058 -13.797
  394    H    TYR  50           H        TYR  50  -3.701   7.457 -18.292
  395    HA   TYR  50           HA       TYR  50  -5.547   9.335 -19.616
  396    HB2  TYR  50           HB2      TYR  50  -4.578   8.741 -21.827
  397    HB3  TYR  50           HB3      TYR  50  -3.511   9.712 -20.811
  398    HD1  TYR  50           HD2      TYR  50  -1.527   8.703 -19.721
  399    HD2  TYR  50           HD1      TYR  50  -3.944   6.523 -22.531
  400    HE1  TYR  50           HE2      TYR  50   0.308   7.052 -20.000
  401    HE2  TYR  50           HE1      TYR  50  -2.114   4.865 -22.812
  402    HH   TYR  50           HH       TYR  50   0.001   4.252 -22.217
  403    H    THR  51           H        THR  51  -5.423   6.603 -18.012
  404    HA   THR  51           HA       THR  51  -7.413   5.274 -19.754
  405    HB   THR  51           HB       THR  51  -6.423   3.071 -19.283
  406   HG21  THR  51          HG21      THR  51  -4.355   4.937 -20.520
  407   HG22  THR  51          HG22      THR  51  -4.520   3.189 -20.793
  408   HG23  THR  51          HG23      THR  51  -5.786   4.299 -21.368
  409    H    LYS  52           H        LYS  52  -8.359   3.331 -18.423
  410    HA   LYS  52           HA       LYS  52  -9.217   4.500 -15.833
  411    HB2  LYS  52           HB2      LYS  52 -10.525   2.541 -17.767
  412    HB3  LYS  52           HB3      LYS  52 -11.146   2.876 -16.155
  413    HG2  LYS  52           HG2      LYS  52 -12.390   4.209 -17.663
  414    HG3  LYS  52           HG3      LYS  52 -11.356   5.296 -16.728
  415    HD2  LYS  52           HD2      LYS  52  -9.842   5.559 -18.625
  416    HD3  LYS  52           HD3      LYS  52 -10.707   4.288 -19.531
  417    HE2  LYS  52           HE2      LYS  52 -12.753   5.675 -19.491
  418    HE3  LYS  52           HE3      LYS  52 -11.886   6.934 -18.607
  419    HZ1  LYS  52           HZ1      LYS  52 -10.402   7.142 -20.493
  420    HZ2  LYS  52           HZ2      LYS  52 -11.227   5.987 -21.321
  421    HZ3  LYS  52           HZ3      LYS  52 -11.960   7.404 -20.946
  422    H    GLU  53           H        GLU  53  -6.685   2.942 -16.200
  423    HA   GLU  53           HA       GLU  53  -7.266   0.767 -14.265
  424    HB2  GLU  53           HB2      GLU  53  -5.793  -0.743 -15.500
  425    HB3  GLU  53           HB3      GLU  53  -7.189  -0.259 -16.481
  426    HG2  GLU  53           HG2      GLU  53  -5.808   1.398 -17.672
  427    HG3  GLU  53           HG3      GLU  53  -4.409   0.981 -16.666
  428    H    SER  54           H        SER  54  -4.715  -0.189 -13.895
  429    HA   SER  54           HA       SER  54  -3.092   2.195 -13.225
  430    HB2  SER  54           HB2      SER  54  -3.954   0.065 -11.224
  431    HB3  SER  54           HB3      SER  54  -2.886   1.447 -10.888
  432    HG   SER  54           HG       SER  54  -5.084   1.793 -10.279
  433    H    ARG  55           H        ARG  55  -0.954   1.602 -12.328
  434    HA   ARG  55           HA       ARG  55   0.323  -0.289 -14.088
  435    HB2  ARG  55           HB2      ARG  55   1.325   1.301 -11.691
  436    HB3  ARG  55           HB3      ARG  55   2.360   0.408 -12.825
  437    HG2  ARG  55           HG2      ARG  55   0.542   2.734 -13.580
  438    HG3  ARG  55           HG3      ARG  55   2.288   2.827 -13.300
  439    HD2  ARG  55           HD2      ARG  55   2.170   2.660 -15.616
  440    HD3  ARG  55           HD3      ARG  55   2.481   0.986 -15.108
  441    HE   ARG  55           HE       ARG  55  -0.313   1.935 -15.590
  442   HH11  ARG  55          HH11      ARG  55   2.355  -0.176 -16.571
  443   HH12  ARG  55          HH12      ARG  55   1.349  -1.127 -17.633
  444   HH21  ARG  55          HH21      ARG  55  -1.565   0.739 -16.962
  445   HH22  ARG  55          HH22      ARG  55  -0.894  -0.613 -17.857
  446    H    GLY  56           H        GLY  56  -1.073  -0.594 -10.917
  447    HA2  GLY  56           HA2      GLY  56  -1.527  -2.789 -10.087
  448    HA3  GLY  56           HA3      GLY  56  -0.044  -3.383 -10.840
  449    H    PHE  57           H        PHE  57   0.329  -0.335  -9.156
  450    HA   PHE  57           HA       PHE  57   1.023  -1.602  -6.587
  451    HB2  PHE  57           HB2      PHE  57   3.253  -1.003  -6.590
  452    HB3  PHE  57           HB3      PHE  57   3.013  -1.855  -8.121
  453    HD1  PHE  57           HD2      PHE  57   2.620  -0.277 -10.236
  454    HD2  PHE  57           HD1      PHE  57   4.351   0.982  -6.505
  455    HE1  PHE  57           HE2      PHE  57   3.663   1.676 -11.370
  456    HE2  PHE  57           HE1      PHE  57   5.403   2.920  -7.647
  457    HZ   PHE  57           HZ       PHE  57   5.020   3.289 -10.071
  458    H    ALA  58           H        ALA  58   1.404  -0.093  -4.928
  459    HA   ALA  58           HA       ALA  58   0.226   2.587  -5.472
  460    HB1  ALA  58           HB1      ALA  58  -0.311   2.532  -3.027
  461    HB2  ALA  58           HB2      ALA  58  -1.109   1.244  -3.936
  462    HB3  ALA  58           HB3      ALA  58   0.339   0.877  -2.952
  463    H    PHE  59           H        PHE  59   1.033   3.741  -3.082
  464    HA   PHE  59           HA       PHE  59   3.886   3.504  -2.595
  465    HB2  PHE  59           HB2      PHE  59   3.213   4.945  -4.851
  466    HB3  PHE  59           HB3      PHE  59   3.068   6.201  -3.641
  467    HD1  PHE  59           HD1      PHE  59   5.369   5.710  -1.837
  468    HD2  PHE  59           HD2      PHE  59   5.070   5.193  -6.096
  469    HE1  PHE  59           HE1      PHE  59   7.809   6.049  -2.049
  470    HE2  PHE  59           HE2      PHE  59   7.505   5.524  -6.312
  471    HZ   PHE  59           HZ       PHE  59   8.890   5.939  -4.292
  472    H    VAL  60           H        VAL  60   2.360   2.902  -0.744
  473    HA   VAL  60           HA       VAL  60   1.595   5.393   0.629
  474    HB   VAL  60           HB       VAL  60   0.931   4.331   2.384
  475   HG11  VAL  60          HG11      VAL  60  -0.111   2.166   1.980
  476   HG12  VAL  60          HG12      VAL  60  -0.350   3.304   0.643
  477   HG13  VAL  60          HG13      VAL  60   0.809   1.982   0.463
  478   HG21  VAL  60          HG21      VAL  60   2.901   3.632   3.373
  479   HG22  VAL  60          HG22      VAL  60   1.796   2.269   3.428
  480   HG23  VAL  60          HG23      VAL  60   3.124   2.299   2.219
  481    H    ARG  61           H        ARG  61   2.852   6.600   2.036
  482    HA   ARG  61           HA       ARG  61   5.627   5.658   2.514
  483    HB2  ARG  61           HB2      ARG  61   6.159   7.011   0.758
  484    HB3  ARG  61           HB3      ARG  61   4.795   8.123   1.012
  485    HG2  ARG  61           HG2      ARG  61   5.905   9.060   2.997
  486    HG3  ARG  61           HG3      ARG  61   7.233   7.884   2.835
  487    HD2  ARG  61           HD2      ARG  61   7.663   8.892   0.536
  488    HD3  ARG  61           HD3      ARG  61   6.541  10.188   0.982
  489    HE   ARG  61           HE       ARG  61   9.231   9.655   2.086
  490   HH11  ARG  61          HH11      ARG  61   6.253  11.588   2.391
  491   HH12  ARG  61          HH12      ARG  61   7.033  12.795   3.375
  492   HH21  ARG  61          HH21      ARG  61  10.167  11.234   3.367
  493   HH22  ARG  61          HH22      ARG  61   9.235  12.612   3.914
  494    H    PHE  62           H        PHE  62   6.494   6.017   4.230
  495    HA   PHE  62           HA       PHE  62   4.740   7.232   6.356
  496    HB2  PHE  62           HB2      PHE  62   6.690   4.951   6.414
  497    HB3  PHE  62           HB3      PHE  62   6.254   5.840   7.866
  498    HD1  PHE  62           HD2      PHE  62   3.929   4.986   5.011
  499    HD2  PHE  62           HD1      PHE  62   5.095   4.285   9.099
  500    HE1  PHE  62           HE2      PHE  62   1.851   3.742   5.366
  501    HE2  PHE  62           HE1      PHE  62   3.043   2.945   9.439
  502    HZ   PHE  62           HZ       PHE  62   1.433   2.658   7.615
  503    H    HIS  63           H        HIS  63   5.432   8.769   7.586
  504    HA   HIS  63           HA       HIS  63   7.833  10.276   6.902
  505    HB2  HIS  63           HB2      HIS  63   6.804  11.856   8.573
  506    HB3  HIS  63           HB3      HIS  63   5.726  11.421   7.247
  507    HD2  HIS  63           HD2      HIS  63   3.435  11.796   8.635
  508    HE1  HIS  63           HE1      HIS  63   4.047   8.708  11.500
  509    HE2  HIS  63           HE2      HIS  63   2.376  10.410  10.574
  510    H    ASP  64           H        ASP  64   7.202   7.681   8.938
  511    HA   ASP  64           HA       ASP  64   9.537   8.257  10.647
  512    HB2  ASP  64           HB2      ASP  64   7.514   9.173  11.821
  513    HB3  ASP  64           HB3      ASP  64   6.816   7.544  11.796
  514    H    LYS  65           H        LYS  65  10.742   6.604  10.312
  515    HA   LYS  65           HA       LYS  65  10.069   4.174   9.135
  516    HB2  LYS  65           HB2      LYS  65  12.331   3.524   9.694
  517    HB3  LYS  65           HB3      LYS  65  12.300   5.261   9.331
  518    HG2  LYS  65           HG2      LYS  65  12.066   5.635  11.871
  519    HG3  LYS  65           HG3      LYS  65  12.426   3.904  12.053
  520    HD2  LYS  65           HD2      LYS  65  14.449   5.186  12.368
  521    HD3  LYS  65           HD3      LYS  65  14.581   4.273  10.835
  522    HE2  LYS  65           HE2      LYS  65  13.936   6.319   9.596
  523    HE3  LYS  65           HE3      LYS  65  13.804   7.211  11.118
  524    HZ1  LYS  65           HZ1      LYS  65  16.248   6.005  10.012
  525    HZ2  LYS  65           HZ2      LYS  65  15.902   7.602  10.090
  526    HZ3  LYS  65           HZ3      LYS  65  16.155   6.757  11.480
  527    H    ARG  66           H        ARG  66   9.745   5.092  12.547
  528    HA   ARG  66           HA       ARG  66   9.891   2.384  13.559
  529    HB2  ARG  66           HB2      ARG  66   8.619   4.896  14.736
  530    HB3  ARG  66           HB3      ARG  66   8.982   3.400  15.622
  531    HG2  ARG  66           HG2      ARG  66  10.993   5.293  14.325
  532    HG3  ARG  66           HG3      ARG  66  10.708   5.076  16.058
  533    HD2  ARG  66           HD2      ARG  66  11.481   2.732  15.897
  534    HD3  ARG  66           HD3      ARG  66  11.748   2.945  14.152
  535    HE   ARG  66           HE       ARG  66  13.152   4.721  16.082
  536   HH11  ARG  66          HH11      ARG  66  13.331   2.083  13.717
  537   HH12  ARG  66          HH12      ARG  66  15.044   2.309  13.446
  538   HH21  ARG  66          HH21      ARG  66  15.393   4.920  15.746
  539   HH22  ARG  66          HH22      ARG  66  16.208   3.857  14.621
  540    H    ASP  67           H        ASP  67   7.179   4.602  12.729
  541    HA   ASP  67           HA       ASP  67   5.137   2.660  13.320
  542    HB2  ASP  67           HB2      ASP  67   5.114   5.067  11.441
  543    HB3  ASP  67           HB3      ASP  67   3.690   4.168  11.967
  544    H    ALA  68           H        ALA  68   7.282   3.280  10.594
  545    HA   ALA  68           HA       ALA  68   5.770   1.713   8.686
  546    HB1  ALA  68           HB1      ALA  68   7.831   2.028   7.334
  547    HB2  ALA  68           HB2      ALA  68   7.272   3.568   8.039
  548    HB3  ALA  68           HB3      ALA  68   8.659   2.697   8.746
  549    H    GLU  69           H        GLU  69   8.416   1.103  11.026
  550    HA   GLU  69           HA       GLU  69   9.291  -1.406  10.030
  551    HB2  GLU  69           HB2      GLU  69   9.281  -0.008  12.704
  552    HB3  GLU  69           HB3      GLU  69   9.646  -1.735  12.640
  553    HG2  GLU  69           HG2      GLU  69  11.435  -1.277  10.953
  554    HG3  GLU  69           HG3      GLU  69  11.096   0.441  11.065
  555    H    ASP  70           H        ASP  70   6.746  -0.619  12.493
  556    HA   ASP  70           HA       ASP  70   6.207  -3.422  12.892
  557    HB2  ASP  70           HB2      ASP  70   4.436  -1.041  13.529
  558    HB3  ASP  70           HB3      ASP  70   4.312  -2.684  14.184
  559    H    ALA  71           H        ALA  71   4.604  -0.835  10.959
  560    HA   ALA  71           HA       ALA  71   2.409  -2.395  10.080
  561    HB1  ALA  71           HB1      ALA  71   3.881  -0.160   8.611
  562    HB2  ALA  71           HB2      ALA  71   2.212  -0.719   8.310
  563    HB3  ALA  71           HB3      ALA  71   2.617   0.091   9.830
  564    H    MET  72           H        MET  72   5.675  -1.915   8.615
  565    HA   MET  72           HA       MET  72   5.197  -3.529   6.309
  566    HB2  MET  72           HB2      MET  72   7.004  -1.934   6.374
  567    HB3  MET  72           HB3      MET  72   7.677  -2.656   7.840
  568    HG2  MET  72           HG2      MET  72   8.458  -4.562   6.728
  569    HG3  MET  72           HG3      MET  72   7.460  -4.268   5.298
  570    HE1  MET  72           HE1      MET  72  10.079  -2.458   7.580
  571    HE2  MET  72           HE2      MET  72  10.893  -1.368   6.423
  572    HE3  MET  72           HE3      MET  72   9.192  -1.097   6.850
  573    H    ASP  73           H        ASP  73   6.565  -4.273   9.559
  574    HA   ASP  73           HA       ASP  73   7.134  -7.005   8.923
  575    HB2  ASP  73           HB2      ASP  73   8.200  -5.709  10.761
  576    HB3  ASP  73           HB3      ASP  73   6.649  -5.677  11.623
  577    H    ALA  74           H        ALA  74   4.179  -5.406   9.222
  578    HA   ALA  74           HA       ALA  74   2.784  -7.946   9.915
  579    HB1  ALA  74           HB1      ALA  74   2.046  -5.091  10.647
  580    HB2  ALA  74           HB2      ALA  74   1.075  -6.541  11.014
  581    HB3  ALA  74           HB3      ALA  74   2.673  -6.329  11.760
  582    H    MET  75           H        MET  75   3.499  -6.071   7.335
  583    HA   MET  75           HA       MET  75   0.848  -6.593   6.083
  584    HB2  MET  75           HB2      MET  75   2.436  -4.009   6.048
  585    HB3  MET  75           HB3      MET  75   1.282  -4.410   4.790
  586    HG2  MET  75           HG2      MET  75   0.625  -4.275   7.761
  587    HG3  MET  75           HG3      MET  75   0.265  -3.023   6.574
  588    HE1  MET  75           HE1      MET  75  -0.432  -5.246   4.103
  589    HE2  MET  75           HE2      MET  75  -2.190  -4.984   4.152
  590    HE3  MET  75           HE3      MET  75  -1.066  -3.603   4.318
  591    H    ASP  76           H        ASP  76   4.382  -6.648   5.771
  592    HA   ASP  76           HA       ASP  76   4.415  -6.781   2.923
  593    HB2  ASP  76           HB2      ASP  76   6.406  -6.325   4.353
  594    HB3  ASP  76           HB3      ASP  76   6.347  -8.005   4.923
  595    H    GLY  77           H        GLY  77   3.597  -8.291   1.643
  596    HA2  GLY  77           HA2      GLY  77   2.910 -10.271   0.806
  597    HA3  GLY  77           HA3      GLY  77   3.945 -11.110   1.993
  598    H    ALA  78           H        ALA  78   1.477  -8.846   3.025
  599    HA   ALA  78           HA       ALA  78   0.207 -10.915   4.635
  600    HB1  ALA  78           HB1      ALA  78  -0.385  -7.947   4.314
  601    HB2  ALA  78           HB2      ALA  78  -1.060  -9.011   5.564
  602    HB3  ALA  78           HB3      ALA  78   0.684  -8.680   5.537
  603    H    VAL  79           H        VAL  79  -0.159 -10.183   1.462
  604    HA   VAL  79           HA       VAL  79  -1.914 -10.041  -0.029
  605    HB   VAL  79           HB       VAL  79  -1.412 -12.264  -0.240
  606   HG11  VAL  79          HG11      VAL  79  -0.992 -12.876   2.040
  607   HG12  VAL  79          HG12      VAL  79  -2.744 -12.840   2.432
  608   HG13  VAL  79          HG13      VAL  79  -2.088 -14.052   1.305
  609   HG21  VAL  79          HG21      VAL  79  -3.328 -13.415  -0.762
  610   HG22  VAL  79          HG22      VAL  79  -4.341 -12.442   0.324
  611   HG23  VAL  79          HG23      VAL  79  -3.553 -11.683  -1.100
  612    H    LEU  80           H        LEU  80  -2.725  -8.122   0.981
  613    HA   LEU  80           HA       LEU  80  -4.883  -7.869   2.636
  614    HB2  LEU  80           HB2      LEU  80  -3.380  -6.167   1.545
  615    HB3  LEU  80           HB3      LEU  80  -4.273  -6.386   0.039
  616    HG   LEU  80           HG       LEU  80  -4.969  -4.381   1.183
  617   HD11  LEU  80          HD11      LEU  80  -6.683  -5.768  -0.046
  618   HD12  LEU  80          HD12      LEU  80  -7.247  -6.330   1.552
  619   HD13  LEU  80          HD13      LEU  80  -7.308  -4.602   1.144
  620   HD21  LEU  80          HD21      LEU  80  -4.317  -5.234   3.442
  621   HD22  LEU  80          HD22      LEU  80  -5.915  -4.431   3.441
  622   HD23  LEU  80          HD23      LEU  80  -5.804  -6.206   3.484
  623    H    ASP  81           H        ASP  81  -5.005  -8.227  -0.976
  624    HA   ASP  81           HA       ASP  81  -7.931  -8.622  -0.667
  625    HB2  ASP  81           HB2      ASP  81  -7.129  -6.671  -2.019
  626    HB3  ASP  81           HB3      ASP  81  -6.376  -7.812  -3.138
  627    H    GLY  82           H        GLY  82  -4.968 -10.137  -1.751
  628    HA2  GLY  82           HA2      GLY  82  -5.198 -12.648  -1.883
  629    HA3  GLY  82           HA3      GLY  82  -6.464 -12.357  -3.111
  630    H    ARG  83           H        ARG  83  -3.497 -10.454  -2.716
  631    HA   ARG  83           HA       ARG  83  -2.401 -11.639  -5.234
  632    HB2  ARG  83           HB2      ARG  83  -1.723  -9.243  -5.785
  633    HB3  ARG  83           HB3      ARG  83  -3.460  -9.584  -5.894
  634    HG2  ARG  83           HG2      ARG  83  -3.958  -8.412  -3.913
  635    HG3  ARG  83           HG3      ARG  83  -2.317  -8.607  -3.258
  636    HD2  ARG  83           HD2      ARG  83  -1.452  -7.110  -4.998
  637    HD3  ARG  83           HD3      ARG  83  -3.119  -6.796  -5.542
  638    HE   ARG  83           HE       ARG  83  -1.764  -5.697  -3.216
  639   HH11  ARG  83          HH11      ARG  83  -4.936  -6.619  -4.475
  640   HH12  ARG  83          HH12      ARG  83  -5.800  -5.517  -3.424
  641   HH21  ARG  83          HH21      ARG  83  -2.932  -4.315  -1.819
  642   HH22  ARG  83          HH22      ARG  83  -4.678  -4.284  -1.883
  643    H    GLU  84           H        GLU  84  -1.816 -10.256  -2.087
  644    HA   GLU  84           HA       GLU  84  -0.114 -10.835  -0.664
  645    HB2  GLU  84           HB2      GLU  84   0.642 -12.487  -2.737
  646    HB3  GLU  84           HB3      GLU  84   2.054 -11.427  -2.563
  647    HG2  GLU  84           HG2      GLU  84   1.851 -11.892  -0.029
  648    HG3  GLU  84           HG3      GLU  84   0.636 -13.088  -0.430
  649    H    LEU  85           H        LEU  85  -0.458  -8.664  -0.282
  650    HA   LEU  85           HA       LEU  85   0.530  -6.397  -1.426
  651    HB2  LEU  85           HB2      LEU  85  -0.845  -7.072   0.772
  652    HB3  LEU  85           HB3      LEU  85   0.696  -6.800   1.563
  653    HG   LEU  85           HG       LEU  85  -0.745  -4.876   1.725
  654   HD11  LEU  85          HD11      LEU  85   1.332  -4.111  -0.335
  655   HD12  LEU  85          HD12      LEU  85   0.661  -3.127   0.972
  656   HD13  LEU  85          HD13      LEU  85   1.738  -4.494   1.375
  657   HD21  LEU  85          HD21      LEU  85  -0.703  -4.722  -1.311
  658   HD22  LEU  85          HD22      LEU  85  -2.079  -5.309  -0.326
  659   HD23  LEU  85          HD23      LEU  85  -1.533  -3.620  -0.200
  660    H    ARG  86           H        ARG  86   2.432  -5.066  -1.079
  661    HA   ARG  86           HA       ARG  86   4.859  -6.546  -0.147
  662    HB2  ARG  86           HB2      ARG  86   4.547  -4.759  -2.593
  663    HB3  ARG  86           HB3      ARG  86   6.076  -5.410  -1.995
  664    HG2  ARG  86           HG2      ARG  86   3.722  -7.089  -2.945
  665    HG3  ARG  86           HG3      ARG  86   5.154  -6.689  -3.909
  666    HD2  ARG  86           HD2      ARG  86   6.599  -7.788  -2.216
  667    HD3  ARG  86           HD3      ARG  86   5.166  -8.212  -1.263
  668    HE   ARG  86           HE       ARG  86   5.576  -9.204  -4.057
  669   HH11  ARG  86          HH11      ARG  86   4.713  -9.787  -0.671
  670   HH12  ARG  86          HH12      ARG  86   4.379 -11.492  -0.949
  671   HH21  ARG  86          HH21      ARG  86   5.091 -11.427  -4.354
  672   HH22  ARG  86          HH22      ARG  86   4.571 -12.384  -2.974
  673    H    VAL  87           H        VAL  87   6.137  -5.408   1.223
  674    HA   VAL  87           HA       VAL  87   5.760  -2.467   1.342
  675    HB   VAL  87           HB       VAL  87   5.802  -4.261   3.803
  676   HG11  VAL  87          HG11      VAL  87   5.332  -1.295   3.296
  677   HG12  VAL  87          HG12      VAL  87   4.987  -2.099   4.844
  678   HG13  VAL  87          HG13      VAL  87   6.645  -2.060   4.209
  679   HG21  VAL  87          HG21      VAL  87   3.722  -4.762   2.723
  680   HG22  VAL  87          HG22      VAL  87   3.400  -3.644   4.057
  681   HG23  VAL  87          HG23      VAL  87   3.404  -3.066   2.363
  682    H    GLN  88           H        GLN  88   7.548  -1.338   1.733
  683    HA   GLN  88           HA       GLN  88  10.012  -2.420   2.797
  684    HB2  GLN  88           HB2      GLN  88  11.261  -2.182   0.615
  685    HB3  GLN  88           HB3      GLN  88  10.174  -3.580   0.695
  686    HG2  GLN  88           HG2      GLN  88   8.477  -2.444  -0.600
  687    HG3  GLN  88           HG3      GLN  88   9.405  -0.940  -0.596
  688   HE21  GLN  88          HE22      GLN  88   8.413  -2.721  -2.844
  689   HE22  GLN  88          HE21      GLN  88   9.841  -3.093  -3.783
  690    H    MET  89           H        MET  89  11.575  -0.836   3.084
  691    HA   MET  89           HA       MET  89  10.839   1.829   3.380
  692    HB2  MET  89           HB2      MET  89  13.507   0.459   2.995
  693    HB3  MET  89           HB3      MET  89  13.380   2.193   3.373
  694    HG2  MET  89           HG2      MET  89  11.947   0.073   5.000
  695    HG3  MET  89           HG3      MET  89  13.598   0.558   5.368
  696    HE1  MET  89           HE1      MET  89  12.151   0.821   7.770
  697    HE2  MET  89           HE2      MET  89  10.943   2.110   8.024
  698    HE3  MET  89           HE3      MET  89  10.570   0.741   6.949
  699    H    ALA  90           H        ALA  90  10.772   3.590   2.096
  700    HA   ALA  90           HA       ALA  90  10.975   3.301  -0.795
  701    HB1  ALA  90           HB1      ALA  90   9.197   4.629   0.314
  702    HB2  ALA  90           HB2      ALA  90  10.437   5.702   0.990
  703    HB3  ALA  90           HB3      ALA  90  10.173   5.621  -0.778
  704    H    ARG  91           H        ARG  91  13.221   3.800   1.629
  705    HA   ARG  91           HA       ARG  91  15.434   4.219   1.621
  706    HB2  ARG  91           HB2      ARG  91  15.206   5.047  -1.300
  707    HB3  ARG  91           HB3      ARG  91  16.678   4.624  -0.432
  708    HG2  ARG  91           HG2      ARG  91  15.972   2.329  -0.178
  709    HG3  ARG  91           HG3      ARG  91  14.352   2.702  -0.828
  710    HD2  ARG  91           HD2      ARG  91  15.338   3.386  -2.963
  711    HD3  ARG  91           HD3      ARG  91  16.961   3.003  -2.349
  712    HE   ARG  91           HE       ARG  91  16.550   0.733  -2.649
  713   HH11  ARG  91          HH11      ARG  91  13.524   2.538  -3.025
  714   HH12  ARG  91          HH12      ARG  91  12.647   1.161  -3.645
  715   HH21  ARG  91          HH21      ARG  91  15.369  -1.045  -3.453
  716   HH22  ARG  91          HH22      ARG  91  13.688  -0.855  -3.892
  717    H    TYR  92           H        TYR  92  13.133   6.499   0.620
  718    HA   TYR  92           HA       TYR  92  14.923   8.750   0.556
  719    HB2  TYR  92           HB2      TYR  92  11.916   8.877   0.936
  720    HB3  TYR  92           HB3      TYR  92  12.966  10.078   0.182
  721    HD1  TYR  92           HD1      TYR  92  14.600   8.320  -1.631
  722    HD2  TYR  92           HD2      TYR  92  10.399   8.254  -0.708
  723    HE1  TYR  92           HE1      TYR  92  14.133   7.286  -3.837
  724    HE2  TYR  92           HE2      TYR  92   9.930   7.165  -2.886
  725    HH   TYR  92           HH       TYR  92  12.531   6.453  -5.250
  726    H    GLY  93           H        GLY  93  14.540  10.710   1.996
  727    HA2  GLY  93           HA2      GLY  93  13.355  11.069   4.339
  728    HA3  GLY  93           HA3      GLY  93  14.562   9.861   4.827
  729    H    ARG  94           H        ARG  94  16.377  11.090   2.621
  730    HA   ARG  94           HA       ARG  94  17.889  12.794   4.363
  731    HB2  ARG  94           HB2      ARG  94  18.045  12.407   1.341
  732    HB3  ARG  94           HB3      ARG  94  19.321  13.091   2.359
  733    HG2  ARG  94           HG2      ARG  94  18.247  10.241   2.469
  734    HG3  ARG  94           HG3      ARG  94  19.812  10.759   1.822
  735    HD2  ARG  94           HD2      ARG  94  20.483  11.554   4.081
  736    HD3  ARG  94           HD3      ARG  94  18.911  11.044   4.718
  737    HE   ARG  94           HE       ARG  94  19.573   8.828   4.672
  738   HH11  ARG  94          HH11      ARG  94  21.964  10.800   2.967
  739   HH12  ARG  94          HH12      ARG  94  23.124   9.497   2.854
  740   HH21  ARG  94          HH21      ARG  94  21.096   7.180   4.545
  741   HH22  ARG  94          HH22      ARG  94  22.638   7.438   3.756
  742    HA   PRO  95           HA       PRO  95  16.100  16.735   3.514
  743    HB2  PRO  95           HB2      PRO  95  18.229  18.428   3.794
  744    HB3  PRO  95           HB3      PRO  95  17.525  17.521   5.176
  745    HG2  PRO  95           HG2      PRO  95  19.943  16.780   3.501
  746    HG3  PRO  95           HG3      PRO  95  19.812  16.829   5.291
  747    HD2  PRO  95           HD2      PRO  95  19.507  14.506   3.903
  748    HD3  PRO  95           HD3      PRO  95  18.503  14.863   5.341
  749    HA   PRO  96           HA       PRO  96  16.810  17.704  -0.765
  750    HB2  PRO  96           HB2      PRO  96  16.024  20.304  -0.951
  751    HB3  PRO  96           HB3      PRO  96  14.880  18.973  -0.581
  752    HG2  PRO  96           HG2      PRO  96  16.244  20.847   1.382
  753    HG3  PRO  96           HG3      PRO  96  14.508  20.418   1.282
  754    HD2  PRO  96           HD2      PRO  96  16.215  19.177   3.007
  755    HD3  PRO  96           HD3      PRO  96  14.889  18.284   2.205
  756    H    ASP  97           H        ASP  97  17.989  19.269  -2.248
  757    HA   ASP  97           HA       ASP  97  20.696  19.551  -1.434
  758    HB2  ASP  97           HB2      ASP  97  19.911  19.206  -3.762
  759    HB3  ASP  97           HB3      ASP  97  19.180  20.818  -3.745
  760    H    SER  98           H        SER  98  21.956  21.584  -1.487
  761    HA   SER  98           HA       SER  98  22.519  23.521  -0.503
  762    HB2  SER  98           HB2      SER  98  21.226  24.256  -2.530
  763    HB3  SER  98           HB3      SER  98  19.830  24.532  -1.474
  764    HG   SER  98           HG       SER  98  21.095  26.414  -1.782
  765    H    HIS  99           H        HIS  99  20.788  21.543   1.093
  766    HA   HIS  99           HA       HIS  99  20.460  23.296   3.439
  767    HB2  HIS  99           HB2      HIS  99  18.279  23.344   2.212
  768    HB3  HIS  99           HB3      HIS  99  18.190  21.583   2.352
  769    HD2  HIS  99           HD2      HIS  99  16.311  21.148   4.075
  770    HE1  HIS  99           HE1      HIS  99  17.468  23.878   7.121
  771    HE2  HIS  99           HE2      HIS  99  15.827  22.035   6.487
  772    H    HIS 100           H        HIS 100  19.853  21.873   5.394
  773    HA   HIS 100           HA       HIS 100  20.575  19.039   5.168
  774    HB2  HIS 100           HB2      HIS 100  22.758  20.253   5.265
  775    HB3  HIS 100           HB3      HIS 100  22.259  20.983   6.795
  776    HD2  HIS 100           HD2      HIS 100  22.767  17.395   5.311
  777    HE1  HIS 100           HE1      HIS 100  23.767  17.236   9.439
  778    HE2  HIS 100           HE2      HIS 100  23.668  15.906   7.267
  779    H    SER 101           H        SER 101  20.318  17.939   7.277
  780    HA   SER 101           HA       SER 101  18.834  19.367   9.382
  781    HB2  SER 101           HB2      SER 101  17.654  17.099   7.714
  782    HB3  SER 101           HB3      SER 101  16.996  17.650   9.271
  783    HG   SER 101           HG       SER 101  17.390  19.317   7.012
  Start of MODEL    2
    1    H    MET   1           H1       MET   1   4.094  -5.193  23.945
    2    HA   MET   1           HA       MET   1   4.928  -7.347  24.511
    3    HB2  MET   1           HB2      MET   1   2.521  -7.059  23.978
    4    HB3  MET   1           HB3      MET   1   2.856  -7.424  22.278
    5    HG2  MET   1           HG2      MET   1   2.020  -9.404  23.480
    6    HG3  MET   1           HG3      MET   1   3.665  -9.658  22.900
    7    HE1  MET   1           HE1      MET   1   2.237 -11.522  24.994
    8    HE2  MET   1           HE2      MET   1   3.904 -11.774  24.428
    9    HE3  MET   1           HE3      MET   1   3.546 -11.793  26.169
   10    H    SER   2           H        SER   2   6.353  -8.911  24.066
   11    HA   SER   2           HA       SER   2   8.031 -10.025  23.026
   12    HB2  SER   2           HB2      SER   2   6.079 -10.043  20.703
   13    HB3  SER   2           HB3      SER   2   7.468 -11.124  20.913
   14    HG   SER   2           HG       SER   2   5.515 -12.056  21.664
   15    H    TYR   3           H        TYR   3   9.116 -10.220  20.573
   16    HA   TYR   3           HA       TYR   3   9.590  -7.546  19.456
   17    HB2  TYR   3           HB2      TYR   3  11.951  -7.592  19.813
   18    HB3  TYR   3           HB3      TYR   3  11.168  -7.765  21.384
   19    HD1  TYR   3           HD2      TYR   3  11.034 -10.095  22.428
   20    HD2  TYR   3           HD1      TYR   3  13.481  -9.196  19.011
   21    HE1  TYR   3           HE2      TYR   3  12.356 -12.162  22.832
   22    HE2  TYR   3           HE1      TYR   3  14.808 -11.252  19.404
   23    HH   TYR   3           HH       TYR   3  15.094 -13.111  20.730
   24    H    GLY   4           H        GLY   4  11.490  -7.939  17.725
   25    HA2  GLY   4           HA2      GLY   4  11.347 -10.588  16.435
   26    HA3  GLY   4           HA3      GLY   4  10.626  -9.243  15.534
   27    H    ARG   5           H        ARG   5  12.566 -10.335  14.180
   28    HA   ARG   5           HA       ARG   5  15.235  -9.723  14.823
   29    HB2  ARG   5           HB2      ARG   5  15.698 -10.193  12.458
   30    HB3  ARG   5           HB3      ARG   5  14.580 -11.358  13.159
   31    HG2  ARG   5           HG2      ARG   5  13.586 -10.969  11.123
   32    HG3  ARG   5           HG3      ARG   5  12.700  -9.828  12.144
   33    HD2  ARG   5           HD2      ARG   5  14.290  -8.019  11.366
   34    HD3  ARG   5           HD3      ARG   5  15.063  -9.208  10.316
   35    HE   ARG   5           HE       ARG   5  13.228  -9.142   8.874
   36   HH11  ARG   5          HH11      ARG   5  12.532  -7.296  11.821
   37   HH12  ARG   5          HH12      ARG   5  11.093  -6.562  11.148
   38   HH21  ARG   5          HH21      ARG   5  11.366  -8.134   8.027
   39   HH22  ARG   5          HH22      ARG   5  10.467  -6.996   9.007
   40    HA   PRO   6           HA       PRO   6  15.554  -5.400  14.072
   41    HB2  PRO   6           HB2      PRO   6  18.236  -5.129  13.633
   42    HB3  PRO   6           HB3      PRO   6  17.573  -5.633  15.226
   43    HG2  PRO   6           HG2      PRO   6  18.646  -7.396  13.008
   44    HG3  PRO   6           HG3      PRO   6  19.084  -7.428  14.750
   45    HD2  PRO   6           HD2      PRO   6  17.217  -9.114  13.682
   46    HD3  PRO   6           HD3      PRO   6  17.033  -8.445  15.332
   47    HA   PRO   7           HA       PRO   7  15.444  -4.711   9.713
   48    HB2  PRO   7           HB2      PRO   7  16.281  -2.119   9.445
   49    HB3  PRO   7           HB3      PRO   7  14.737  -2.560  10.242
   50    HG2  PRO   7           HG2      PRO   7  17.413  -1.979  11.550
   51    HG3  PRO   7           HG3      PRO   7  15.807  -1.288  11.967
   52    HD2  PRO   7           HD2      PRO   7  16.844  -3.407  13.323
   53    HD3  PRO   7           HD3      PRO   7  15.092  -3.310  12.951
   54    HA   PRO   8           HA       PRO   8  19.317  -5.619   7.925
   55    HB2  PRO   8           HB2      PRO   8  19.186  -4.526   5.405
   56    HB3  PRO   8           HB3      PRO   8  18.198  -5.921   5.940
   57    HG2  PRO   8           HG2      PRO   8  17.370  -3.014   5.813
   58    HG3  PRO   8           HG3      PRO   8  16.477  -4.455   5.235
   59    HD2  PRO   8           HD2      PRO   8  15.964  -3.307   7.657
   60    HD3  PRO   8           HD3      PRO   8  15.877  -5.077   7.421
   61    H    ASP   9           H        ASP   9  18.859  -2.469   6.361
   62    HA   ASP   9           HA       ASP   9  21.112  -1.295   7.872
   63    HB2  ASP   9           HB2      ASP   9  21.126  -1.559   4.843
   64    HB3  ASP   9           HB3      ASP   9  22.277  -0.630   5.813
   65    H    VAL  10           H        VAL  10  18.328  -0.676   7.949
   66    HA   VAL  10           HA       VAL  10  17.664   1.583   6.333
   67    HB   VAL  10           HB       VAL  10  15.906   1.985   8.010
   68   HG11  VAL  10          HG11      VAL  10  16.331  -0.979   7.416
   69   HG12  VAL  10          HG12      VAL  10  14.791  -0.202   7.850
   70   HG13  VAL  10          HG13      VAL  10  15.593   0.204   6.320
   71   HG21  VAL  10          HG21      VAL  10  17.182   1.552  10.061
   72   HG22  VAL  10          HG22      VAL  10  15.734   0.536  10.001
   73   HG23  VAL  10          HG23      VAL  10  17.326  -0.168   9.633
   74    H    GLU  11           H        GLU  11  20.295   1.452   8.042
   75    HA   GLU  11           HA       GLU  11  20.333   3.591   9.892
   76    HB2  GLU  11           HB2      GLU  11  22.504   2.268   8.209
   77    HB3  GLU  11           HB3      GLU  11  22.826   3.358   9.571
   78    HG2  GLU  11           HG2      GLU  11  21.311   0.715   9.709
   79    HG3  GLU  11           HG3      GLU  11  22.980   0.977  10.230
   80    H    GLY  12           H        GLY  12  19.519   4.049   6.772
   81    HA2  GLY  12           HA2      GLY  12  20.623   6.779   6.744
   82    HA3  GLY  12           HA3      GLY  12  21.081   5.723   5.397
   83    H    MET  13           H        MET  13  17.924   5.070   6.684
   84    HA   MET  13           HA       MET  13  16.597   6.881   4.742
   85    HB2  MET  13           HB2      MET  13  16.094   3.876   4.848
   86    HB3  MET  13           HB3      MET  13  15.273   5.065   3.837
   87    HG2  MET  13           HG2      MET  13  16.793   4.168   2.347
   88    HG3  MET  13           HG3      MET  13  17.638   5.610   2.908
   89    HE1  MET  13           HE1      MET  13  18.605   1.191   3.878
   90    HE2  MET  13           HE2      MET  13  17.062   1.947   4.330
   91    HE3  MET  13           HE3      MET  13  17.499   1.782   2.614
   92    H    THR  14           H        THR  14  14.158   6.766   5.032
   93    HA   THR  14           HA       THR  14  13.322   5.809   7.692
   94    HB   THR  14           HB       THR  14  12.923   8.709   6.847
   95   HG21  THR  14          HG21      THR  14  11.186   7.773   8.353
   96   HG22  THR  14          HG22      THR  14  12.449   7.277   9.503
   97   HG23  THR  14          HG23      THR  14  12.172   9.000   9.182
   98    H    SER  15           H        SER  15  12.508   7.229   4.525
   99    HA   SER  15           HA       SER  15   9.645   7.085   4.839
  100    HB2  SER  15           HB2      SER  15  11.412   7.121   2.356
  101    HB3  SER  15           HB3      SER  15   9.651   7.357   2.378
  102    HG   SER  15           HG       SER  15  11.564   8.969   3.708
  103    H    LEU  16           H        LEU  16   8.207   5.607   4.407
  104    HA   LEU  16           HA       LEU  16   9.142   2.881   3.603
  105    HB2  LEU  16           HB2      LEU  16   7.704   3.219   5.673
  106    HB3  LEU  16           HB3      LEU  16   6.418   3.806   4.597
  107    HG   LEU  16           HG       LEU  16   6.465   1.589   3.420
  108   HD11  LEU  16          HD11      LEU  16   7.603  -0.293   4.532
  109   HD12  LEU  16          HD12      LEU  16   8.794   0.932   4.067
  110   HD13  LEU  16          HD13      LEU  16   8.272   0.798   5.758
  111   HD21  LEU  16          HD21      LEU  16   5.920   1.529   6.414
  112   HD22  LEU  16          HD22      LEU  16   4.799   2.053   5.130
  113   HD23  LEU  16          HD23      LEU  16   5.311   0.360   5.219
  114    H    LYS  17           H        LYS  17   7.916   1.769   1.950
  115    HA   LYS  17           HA       LYS  17   6.226   3.352   0.099
  116    HB2  LYS  17           HB2      LYS  17   8.199   3.533  -1.083
  117    HB3  LYS  17           HB3      LYS  17   8.835   2.000  -0.446
  118    HG2  LYS  17           HG2      LYS  17   8.450   1.754  -2.769
  119    HG3  LYS  17           HG3      LYS  17   7.279   0.746  -1.896
  120    HD2  LYS  17           HD2      LYS  17   5.633   2.707  -2.205
  121    HD3  LYS  17           HD3      LYS  17   6.830   3.390  -3.333
  122    HE2  LYS  17           HE2      LYS  17   5.479   0.670  -3.547
  123    HE3  LYS  17           HE3      LYS  17   5.129   2.086  -4.543
  124    HZ1  LYS  17           HZ1      LYS  17   7.334   1.960  -5.438
  125    HZ2  LYS  17           HZ2      LYS  17   7.716   0.685  -4.472
  126    HZ3  LYS  17           HZ3      LYS  17   6.569   0.519  -5.633
  127    H    VAL  18           H        VAL  18   4.521   2.165  -0.534
  128    HA   VAL  18           HA       VAL  18   4.561  -0.817  -0.094
  129    HB   VAL  18           HB       VAL  18   2.496   1.269   0.507
  130   HG11  VAL  18          HG11      VAL  18   2.002  -1.715   0.063
  131   HG12  VAL  18          HG12      VAL  18   0.831  -0.592   0.822
  132   HG13  VAL  18          HG13      VAL  18   1.295  -0.397  -0.875
  133   HG21  VAL  18          HG21      VAL  18   4.090   0.512   2.259
  134   HG22  VAL  18          HG22      VAL  18   2.406   0.107   2.657
  135   HG23  VAL  18          HG23      VAL  18   3.514  -1.150   2.034
  136    H    ASP  19           H        ASP  19   3.595  -2.030  -1.583
  137    HA   ASP  19           HA       ASP  19   2.965  -0.920  -4.280
  138    HB2  ASP  19           HB2      ASP  19   5.448  -1.416  -3.639
  139    HB3  ASP  19           HB3      ASP  19   4.958  -3.117  -3.696
  140    H    ASN  20           H        ASN  20   2.618  -2.942  -5.752
  141    HA   ASN  20           HA       ASN  20   1.365  -4.638  -6.424
  142    HB2  ASN  20           HB2      ASN  20   2.814  -5.817  -4.687
  143    HB3  ASN  20           HB3      ASN  20   1.354  -5.873  -3.693
  144   HD21  ASN  20          HD22      ASN  20   1.098  -8.142  -3.862
  145   HD22  ASN  20          HD21      ASN  20   0.631  -8.925  -5.363
  146    H    LEU  21           H        LEU  21  -0.570  -4.120  -7.041
  147    HA   LEU  21           HA       LEU  21  -2.796  -3.958  -5.064
  148    HB2  LEU  21           HB2      LEU  21  -2.441  -2.154  -7.474
  149    HB3  LEU  21           HB3      LEU  21  -3.693  -2.037  -6.231
  150    HG   LEU  21           HG       LEU  21  -0.715  -1.530  -5.808
  151   HD11  LEU  21          HD11      LEU  21  -1.488   0.836  -5.741
  152   HD12  LEU  21          HD12      LEU  21  -1.933   0.085  -7.292
  153   HD13  LEU  21          HD13      LEU  21  -3.155   0.306  -6.023
  154   HD21  LEU  21          HD21      LEU  21  -1.185  -0.852  -3.655
  155   HD22  LEU  21          HD22      LEU  21  -2.951  -0.788  -3.924
  156   HD23  LEU  21          HD23      LEU  21  -2.109  -2.354  -3.803
  157    H    THR  22           H        THR  22  -4.941  -4.080  -6.214
  158    HA   THR  22           HA       THR  22  -4.744  -5.910  -8.558
  159    HB   THR  22           HB       THR  22  -5.596  -6.893  -6.410
  160   HG21  THR  22          HG21      THR  22  -7.887  -6.346  -5.705
  161   HG22  THR  22          HG22      THR  22  -6.852  -4.910  -5.584
  162   HG23  THR  22          HG23      THR  22  -7.995  -5.081  -6.942
  163    H    TYR  23           H        TYR  23  -5.101  -2.819  -8.145
  164    HA   TYR  23           HA       TYR  23  -5.811  -1.212  -9.580
  165    HB2  TYR  23           HB2      TYR  23  -6.389  -1.845 -11.583
  166    HB3  TYR  23           HB3      TYR  23  -6.632  -3.482 -11.036
  167    HD1  TYR  23           HD1      TYR  23  -9.048  -3.859  -9.804
  168    HD2  TYR  23           HD2      TYR  23  -8.105  -0.759 -12.622
  169    HE1  TYR  23           HE1      TYR  23 -11.460  -3.660 -10.385
  170    HE2  TYR  23           HE2      TYR  23 -10.521  -0.539 -13.197
  171    HH   TYR  23           HH       TYR  23 -13.026  -2.566 -11.635
  172    H    ARG  24           H        ARG  24  -7.532  -2.838  -7.305
  173    HA   ARG  24           HA       ARG  24  -9.507  -0.606  -7.040
  174    HB2  ARG  24           HB2      ARG  24 -10.504  -2.602  -8.076
  175    HB3  ARG  24           HB3      ARG  24  -9.987  -3.585  -6.704
  176    HG2  ARG  24           HG2      ARG  24 -11.522  -2.362  -5.218
  177    HG3  ARG  24           HG3      ARG  24 -11.880  -1.192  -6.519
  178    HD2  ARG  24           HD2      ARG  24 -12.849  -3.020  -7.877
  179    HD3  ARG  24           HD3      ARG  24 -12.468  -4.177  -6.587
  180    HE   ARG  24           HE       ARG  24 -14.021  -2.081  -5.473
  181   HH11  ARG  24          HH11      ARG  24 -14.368  -4.770  -7.747
  182   HH12  ARG  24          HH12      ARG  24 -16.077  -4.960  -7.439
  183   HH21  ARG  24          HH21      ARG  24 -16.242  -2.374  -5.072
  184   HH22  ARG  24          HH22      ARG  24 -17.135  -3.619  -5.919
  185    H    THR  25           H        THR  25  -6.879  -2.045  -5.628
  186    HA   THR  25           HA       THR  25  -7.671  -2.322  -2.909
  187    HB   THR  25           HB       THR  25  -5.029  -1.597  -4.219
  188   HG21  THR  25          HG21      THR  25  -4.910  -0.805  -1.951
  189   HG22  THR  25          HG22      THR  25  -5.657  -2.286  -1.319
  190   HG23  THR  25          HG23      THR  25  -4.022  -2.339  -2.034
  191    H    SER  26           H        SER  26  -6.633   0.494  -4.809
  192    HA   SER  26           HA       SER  26  -6.706   2.697  -4.510
  193    HB2  SER  26           HB2      SER  26  -9.018   1.919  -2.713
  194    HB3  SER  26           HB3      SER  26  -8.709   3.575  -3.265
  195    HG   SER  26           HG       SER  26 -10.152   2.462  -4.638
  196    HA   PRO  27           HA       PRO  27  -4.257   4.238  -1.200
  197    HB2  PRO  27           HB2      PRO  27  -5.045   6.879  -1.160
  198    HB3  PRO  27           HB3      PRO  27  -3.933   6.144  -2.359
  199    HG2  PRO  27           HG2      PRO  27  -6.872   6.766  -2.601
  200    HG3  PRO  27           HG3      PRO  27  -5.585   6.983  -3.825
  201    HD2  PRO  27           HD2      PRO  27  -7.323   4.872  -3.843
  202    HD3  PRO  27           HD3      PRO  27  -5.642   4.705  -4.405
  203    H    ASP  28           H        ASP  28  -7.790   4.664  -1.024
  204    HA   ASP  28           HA       ASP  28  -7.789   5.774   1.634
  205    HB2  ASP  28           HB2      ASP  28  -9.582   5.899  -0.165
  206    HB3  ASP  28           HB3      ASP  28  -9.945   4.198   0.215
  207    H    THR  29           H        THR  29  -8.200   2.446   0.296
  208    HA   THR  29           HA       THR  29  -8.816   1.237   2.839
  209    HB   THR  29           HB       THR  29  -7.476  -0.059   0.446
  210   HG21  THR  29          HG21      THR  29  -7.625  -1.440   2.478
  211   HG22  THR  29          HG22      THR  29  -9.373  -1.129   2.586
  212   HG23  THR  29          HG23      THR  29  -8.716  -2.059   1.222
  213    H    LEU  30           H        LEU  30  -5.850   1.712   0.873
  214    HA   LEU  30           HA       LEU  30  -4.052   0.396   2.623
  215    HB2  LEU  30           HB2      LEU  30  -3.680   2.774   0.750
  216    HB3  LEU  30           HB3      LEU  30  -2.353   1.864   1.479
  217    HG   LEU  30           HG       LEU  30  -4.463   0.537  -0.256
  218   HD11  LEU  30          HD11      LEU  30  -1.768   1.721  -1.056
  219   HD12  LEU  30          HD12      LEU  30  -2.833   0.742  -2.106
  220   HD13  LEU  30          HD13      LEU  30  -3.377   2.332  -1.521
  221   HD21  LEU  30          HD21      LEU  30  -2.670  -1.159  -0.530
  222   HD22  LEU  30          HD22      LEU  30  -1.625  -0.216   0.553
  223   HD23  LEU  30          HD23      LEU  30  -3.123  -0.957   1.179
  224    H    ARG  31           H        ARG  31  -5.550   3.636   2.719
  225    HA   ARG  31           HA       ARG  31  -3.637   4.826   4.419
  226    HB2  ARG  31           HB2      ARG  31  -5.789   5.787   3.128
  227    HB3  ARG  31           HB3      ARG  31  -6.584   5.492   4.674
  228    HG2  ARG  31           HG2      ARG  31  -4.244   7.329   4.056
  229    HG3  ARG  31           HG3      ARG  31  -5.850   7.765   4.667
  230    HD2  ARG  31           HD2      ARG  31  -5.285   6.513   6.788
  231    HD3  ARG  31           HD3      ARG  31  -3.652   6.272   6.144
  232    HE   ARG  31           HE       ARG  31  -3.166   8.551   6.403
  233   HH11  ARG  31          HH11      ARG  31  -6.509   7.870   7.371
  234   HH12  ARG  31          HH12      ARG  31  -6.694   9.401   8.190
  235   HH21  ARG  31          HH21      ARG  31  -3.445  10.523   7.479
  236   HH22  ARG  31          HH22      ARG  31  -4.970  10.895   8.254
  237    H    ARG  32           H        ARG  32  -6.804   3.348   5.258
  238    HA   ARG  32           HA       ARG  32  -6.108   3.427   8.099
  239    HB2  ARG  32           HB2      ARG  32  -8.348   2.488   8.423
  240    HB3  ARG  32           HB3      ARG  32  -8.405   3.799   7.238
  241    HG2  ARG  32           HG2      ARG  32  -7.960   1.650   5.579
  242    HG3  ARG  32           HG3      ARG  32  -8.911   0.885   6.871
  243    HD2  ARG  32           HD2      ARG  32 -10.596   2.736   6.617
  244    HD3  ARG  32           HD3      ARG  32  -9.594   3.384   5.299
  245    HE   ARG  32           HE       ARG  32 -10.487   0.581   5.012
  246   HH11  ARG  32          HH11      ARG  32 -11.055   3.972   4.244
  247   HH12  ARG  32          HH12      ARG  32 -12.013   3.634   2.828
  248   HH21  ARG  32          HH21      ARG  32 -11.753   0.139   3.157
  249   HH22  ARG  32          HH22      ARG  32 -12.413   1.455   2.212
  250    H    VAL  33           H        VAL  33  -5.374   1.257   5.609
  251    HA   VAL  33           HA       VAL  33  -5.160  -1.106   7.367
  252    HB   VAL  33           HB       VAL  33  -4.553  -0.452   4.487
  253   HG11  VAL  33          HG11      VAL  33  -3.802  -3.014   5.956
  254   HG12  VAL  33          HG12      VAL  33  -3.825  -2.817   4.191
  255   HG13  VAL  33          HG13      VAL  33  -2.679  -1.877   5.155
  256   HG21  VAL  33          HG21      VAL  33  -6.879  -1.064   5.285
  257   HG22  VAL  33          HG22      VAL  33  -6.209  -2.241   4.132
  258   HG23  VAL  33          HG23      VAL  33  -6.230  -2.600   5.881
  259    H    PHE  34           H        PHE  34  -3.225   1.672   6.599
  260    HA   PHE  34           HA       PHE  34  -0.798   0.245   7.638
  261    HB2  PHE  34           HB2      PHE  34  -1.232   2.227   5.393
  262    HB3  PHE  34           HB3      PHE  34   0.292   2.231   6.248
  263    HD1  PHE  34           HD1      PHE  34   1.654   0.161   6.423
  264    HD2  PHE  34           HD2      PHE  34  -1.650   0.560   3.731
  265    HE1  PHE  34           HE1      PHE  34   2.528  -1.756   5.079
  266    HE2  PHE  34           HE2      PHE  34  -0.786  -1.319   2.366
  267    HZ   PHE  34           HZ       PHE  34   1.299  -2.515   3.074
  268    H    GLU  35           H        GLU  35  -2.655   3.335   7.618
  269    HA   GLU  35           HA       GLU  35  -0.803   4.516   9.364
  270    HB2  GLU  35           HB2      GLU  35  -2.291   6.360   9.530
  271    HB3  GLU  35           HB3      GLU  35  -2.653   5.636   7.967
  272    HG2  GLU  35           HG2      GLU  35  -4.770   6.029   8.817
  273    HG3  GLU  35           HG3      GLU  35  -4.500   4.328   9.220
  274    H    LYS  36           H        LYS  36  -3.113   2.072   9.819
  275    HA   LYS  36           HA       LYS  36  -4.103   2.576  12.406
  276    HB2  LYS  36           HB2      LYS  36  -4.686   0.204  12.412
  277    HB3  LYS  36           HB3      LYS  36  -5.007   0.912  10.814
  278    HG2  LYS  36           HG2      LYS  36  -2.714   0.026  10.091
  279    HG3  LYS  36           HG3      LYS  36  -2.675  -0.867  11.620
  280    HD2  LYS  36           HD2      LYS  36  -4.613  -1.186   9.313
  281    HD3  LYS  36           HD3      LYS  36  -3.447  -2.371   9.937
  282    HE2  LYS  36           HE2      LYS  36  -4.773  -2.312  12.123
  283    HE3  LYS  36           HE3      LYS  36  -5.984  -1.346  11.243
  284    HZ1  LYS  36           HZ1      LYS  36  -5.111  -4.057  10.499
  285    HZ2  LYS  36           HZ2      LYS  36  -6.532  -3.677  11.235
  286    HZ3  LYS  36           HZ3      LYS  36  -6.234  -3.158   9.704
  287    H    TYR  37           H        TYR  37  -1.050   1.147  11.295
  288    HA   TYR  37           HA       TYR  37  -0.375   0.145  13.898
  289    HB2  TYR  37           HB2      TYR  37   1.310   0.720  11.432
  290    HB3  TYR  37           HB3      TYR  37   1.891  -0.155  12.853
  291    HD1  TYR  37           HD2      TYR  37   1.012  -2.383  13.414
  292    HD2  TYR  37           HD1      TYR  37  -0.200  -0.336   9.829
  293    HE1  TYR  37           HE2      TYR  37   0.109  -4.513  12.504
  294    HE2  TYR  37           HE1      TYR  37  -1.089  -2.438   8.916
  295    HH   TYR  37           HH       TYR  37  -1.448  -4.692   9.282
  296    H    GLY  38           H        GLY  38  -0.145   3.241  12.308
  297    HA2  GLY  38           HA2      GLY  38   0.555   4.538  14.768
  298    HA3  GLY  38           HA3      GLY  38   1.965   4.478  13.695
  299    H    ARG  39           H        ARG  39   1.437   5.177  11.310
  300    HA   ARG  39           HA       ARG  39  -0.817   6.890  10.846
  301    HB2  ARG  39           HB2      ARG  39   0.952   8.210  12.416
  302    HB3  ARG  39           HB3      ARG  39   1.790   8.421  10.865
  303    HG2  ARG  39           HG2      ARG  39   0.384  10.341  11.359
  304    HG3  ARG  39           HG3      ARG  39  -0.241   9.501   9.930
  305    HD2  ARG  39           HD2      ARG  39  -1.972   8.433  11.261
  306    HD3  ARG  39           HD3      ARG  39  -1.241   9.017  12.761
  307    HE   ARG  39           HE       ARG  39  -1.725  11.367  11.593
  308   HH11  ARG  39          HH11      ARG  39  -3.850   8.519  11.716
  309   HH12  ARG  39          HH12      ARG  39  -5.303   9.475  11.687
  310   HH21  ARG  39          HH21      ARG  39  -3.645  12.565  11.544
  311   HH22  ARG  39          HH22      ARG  39  -5.194  11.756  11.593
  312    H    VAL  40           H        VAL  40  -0.596   8.067   8.764
  313    HA   VAL  40           HA       VAL  40   1.449   6.879   6.948
  314    HB   VAL  40           HB       VAL  40  -1.556   7.139   6.564
  315   HG11  VAL  40          HG11      VAL  40   0.597   6.633   4.479
  316   HG12  VAL  40          HG12      VAL  40  -1.143   6.346   4.239
  317   HG13  VAL  40          HG13      VAL  40  -0.546   8.002   4.508
  318   HG21  VAL  40          HG21      VAL  40  -0.365   5.015   7.515
  319   HG22  VAL  40          HG22      VAL  40  -1.491   4.794   6.136
  320   HG23  VAL  40          HG23      VAL  40   0.255   4.812   5.865
  321    H    GLY  41           H        GLY  41   2.737   8.591   6.860
  322    HA2  GLY  41           HA2      GLY  41   1.987  11.322   6.776
  323    HA3  GLY  41           HA3      GLY  41   3.512  10.638   6.185
  324    H    ASP  42           H        ASP  42   2.072   8.858   4.211
  325    HA   ASP  42           HA       ASP  42   0.850  10.718   2.297
  326    HB2  ASP  42           HB2      ASP  42   3.595   9.464   2.006
  327    HB3  ASP  42           HB3      ASP  42   2.629   9.885   0.593
  328    H    VAL  43           H        VAL  43  -0.452   9.570   0.859
  329    HA   VAL  43           HA       VAL  43   0.042   6.708   0.442
  330    HB   VAL  43           HB       VAL  43  -1.545   7.300   2.535
  331   HG11  VAL  43          HG11      VAL  43  -3.530   6.971   0.268
  332   HG12  VAL  43          HG12      VAL  43  -3.891   6.953   2.003
  333   HG13  VAL  43          HG13      VAL  43  -3.295   8.450   1.249
  334   HG21  VAL  43          HG21      VAL  43  -1.798   4.972   0.649
  335   HG22  VAL  43          HG22      VAL  43  -0.816   5.122   2.151
  336   HG23  VAL  43          HG23      VAL  43  -2.566   5.063   2.255
  337    H    TYR  44           H        TYR  44   0.080   6.612  -1.724
  338    HA   TYR  44           HA       TYR  44  -2.258   7.609  -3.166
  339    HB2  TYR  44           HB2      TYR  44  -1.274   9.188  -4.496
  340    HB3  TYR  44           HB3      TYR  44  -0.526   9.528  -2.945
  341    HD1  TYR  44           HD2      TYR  44   1.888   8.931  -2.585
  342    HD2  TYR  44           HD1      TYR  44  -0.068   8.315  -6.360
  343    HE1  TYR  44           HE2      TYR  44   4.107   8.774  -3.710
  344    HE2  TYR  44           HE1      TYR  44   2.126   8.097  -7.480
  345    HH   TYR  44           HH       TYR  44   4.412   8.196  -7.231
  346    H    ILE  45           H        ILE  45  -2.079   7.070  -5.552
  347    HA   ILE  45           HA       ILE  45  -0.484   4.582  -5.927
  348    HB   ILE  45           HB       ILE  45  -3.389   5.147  -6.617
  349   HG12  ILE  45          HG12      ILE  45  -3.775   2.945  -5.657
  350   HG13  ILE  45          HG13      ILE  45  -2.051   2.751  -5.298
  351   HG21  ILE  45          HG21      ILE  45  -1.568   2.927  -7.656
  352   HG22  ILE  45          HG22      ILE  45  -3.323   3.060  -7.936
  353   HG23  ILE  45          HG23      ILE  45  -2.217   4.260  -8.631
  354   HD11  ILE  45          HD11      ILE  45  -3.635   5.056  -4.153
  355   HD12  ILE  45          HD12      ILE  45  -3.644   3.439  -3.395
  356   HD13  ILE  45          HD13      ILE  45  -2.119   4.309  -3.552
  357    HA   PRO  46           HA       PRO  46   0.917   7.167  -9.394
  358    HB2  PRO  46           HB2      PRO  46   3.013   5.586 -10.128
  359    HB3  PRO  46           HB3      PRO  46   3.035   6.657  -8.688
  360    HG2  PRO  46           HG2      PRO  46   2.400   3.696  -8.798
  361    HG3  PRO  46           HG3      PRO  46   3.524   4.560  -7.676
  362    HD2  PRO  46           HD2      PRO  46   0.999   3.885  -6.978
  363    HD3  PRO  46           HD3      PRO  46   1.768   5.406  -6.421
  364    H    ARG  47           H        ARG  47  -1.428   5.743  -9.814
  365    HA   ARG  47           HA       ARG  47  -1.207   3.722 -11.845
  366    HB2  ARG  47           HB2      ARG  47  -3.583   3.904 -12.065
  367    HB3  ARG  47           HB3      ARG  47  -3.184   4.022 -10.351
  368    HG2  ARG  47           HG2      ARG  47  -3.369   6.504 -10.514
  369    HG3  ARG  47           HG3      ARG  47  -3.825   6.310 -12.238
  370    HD2  ARG  47           HD2      ARG  47  -5.355   5.067  -9.920
  371    HD3  ARG  47           HD3      ARG  47  -5.800   6.590 -10.705
  372    HE   ARG  47           HE       ARG  47  -5.633   4.900 -12.832
  373   HH11  ARG  47          HH11      ARG  47  -7.342   4.677  -9.752
  374   HH12  ARG  47          HH12      ARG  47  -8.606   3.655 -10.404
  375   HH21  ARG  47          HH21      ARG  47  -7.238   3.576 -13.641
  376   HH22  ARG  47          HH22      ARG  47  -8.561   3.044 -12.620
  377    H    ASP  48           H        ASP  48  -2.985   4.454 -13.784
  378    HA   ASP  48           HA       ASP  48  -1.409   5.515 -15.807
  379    HB2  ASP  48           HB2      ASP  48  -3.365   5.310 -17.122
  380    HB3  ASP  48           HB3      ASP  48  -3.540   4.068 -15.864
  381    H    ARG  49           H        ARG  49  -2.478   7.245 -17.327
  382    HA   ARG  49           HA       ARG  49  -3.494   9.608 -15.886
  383    HB2  ARG  49           HB2      ARG  49  -1.047   9.854 -15.959
  384    HB3  ARG  49           HB3      ARG  49  -1.047   9.623 -17.708
  385    HG2  ARG  49           HG2      ARG  49  -0.815  12.001 -16.994
  386    HG3  ARG  49           HG3      ARG  49  -2.197  11.725 -18.052
  387    HD2  ARG  49           HD2      ARG  49  -3.701  11.652 -16.059
  388    HD3  ARG  49           HD3      ARG  49  -2.294  11.928 -15.015
  389    HE   ARG  49           HE       ARG  49  -2.334  14.175 -15.576
  390   HH11  ARG  49          HH11      ARG  49  -4.332  12.389 -17.887
  391   HH12  ARG  49          HH12      ARG  49  -4.997  13.842 -18.600
  392   HH21  ARG  49          HH21      ARG  49  -3.188  16.037 -16.551
  393   HH22  ARG  49          HH22      ARG  49  -4.347  15.897 -17.850
  394    H    TYR  50           H        TYR  50  -3.878   7.390 -18.348
  395    HA   TYR  50           HA       TYR  50  -5.656   9.173 -19.844
  396    HB2  TYR  50           HB2      TYR  50  -4.561   8.695 -21.979
  397    HB3  TYR  50           HB3      TYR  50  -3.499   9.592 -20.887
  398    HD1  TYR  50           HD2      TYR  50  -1.587   8.428 -19.771
  399    HD2  TYR  50           HD1      TYR  50  -3.988   6.512 -22.776
  400    HE1  TYR  50           HE2      TYR  50   0.185   6.714 -20.081
  401    HE2  TYR  50           HE1      TYR  50  -2.226   4.794 -23.095
  402    HH   TYR  50           HH       TYR  50  -0.165   4.027 -22.431
  403    H    THR  51           H        THR  51  -5.670   6.501 -18.205
  404    HA   THR  51           HA       THR  51  -7.252   4.986 -20.210
  405    HB   THR  51           HB       THR  51  -6.221   2.889 -19.642
  406   HG21  THR  51          HG21      THR  51  -5.166   4.242 -21.458
  407   HG22  THR  51          HG22      THR  51  -4.013   4.895 -20.265
  408   HG23  THR  51          HG23      THR  51  -4.026   3.158 -20.642
  409    H    LYS  52           H        LYS  52  -7.782   2.751 -18.638
  410    HA   LYS  52           HA       LYS  52  -9.385   3.937 -16.421
  411    HB2  LYS  52           HB2      LYS  52 -10.096   1.603 -18.255
  412    HB3  LYS  52           HB3      LYS  52 -11.125   2.307 -16.998
  413    HG2  LYS  52           HG2      LYS  52 -10.185   3.677 -19.551
  414    HG3  LYS  52           HG3      LYS  52 -11.818   3.072 -19.213
  415    HD2  LYS  52           HD2      LYS  52 -11.994   4.662 -17.305
  416    HD3  LYS  52           HD3      LYS  52 -10.386   5.302 -17.729
  417    HE2  LYS  52           HE2      LYS  52 -11.226   5.904 -19.976
  418    HE3  LYS  52           HE3      LYS  52 -12.830   5.280 -19.542
  419    HZ1  LYS  52           HZ1      LYS  52 -12.692   7.651 -19.277
  420    HZ2  LYS  52           HZ2      LYS  52 -12.948   6.933 -17.820
  421    HZ3  LYS  52           HZ3      LYS  52 -11.455   7.507 -18.198
  422    H    GLU  53           H        GLU  53  -6.636   2.612 -16.399
  423    HA   GLU  53           HA       GLU  53  -7.266   0.559 -14.353
  424    HB2  GLU  53           HB2      GLU  53  -5.624  -0.974 -15.345
  425    HB3  GLU  53           HB3      GLU  53  -6.964  -0.651 -16.452
  426    HG2  GLU  53           HG2      GLU  53  -5.562   1.012 -17.654
  427    HG3  GLU  53           HG3      GLU  53  -4.218   0.666 -16.549
  428    H    SER  54           H        SER  54  -4.674  -0.244 -13.770
  429    HA   SER  54           HA       SER  54  -3.234   2.289 -13.123
  430    HB2  SER  54           HB2      SER  54  -4.620   1.743 -11.181
  431    HB3  SER  54           HB3      SER  54  -3.978   0.082 -11.174
  432    HG   SER  54           HG       SER  54  -2.899   1.466  -9.703
  433    H    ARG  55           H        ARG  55  -1.014   1.752 -12.222
  434    HA   ARG  55           HA       ARG  55   0.366  -0.064 -13.998
  435    HB2  ARG  55           HB2      ARG  55   1.202   1.644 -11.649
  436    HB3  ARG  55           HB3      ARG  55   2.326   0.643 -12.614
  437    HG2  ARG  55           HG2      ARG  55   1.301   1.785 -14.682
  438    HG3  ARG  55           HG3      ARG  55   0.618   2.976 -13.548
  439    HD2  ARG  55           HD2      ARG  55   2.867   3.545 -12.766
  440    HD3  ARG  55           HD3      ARG  55   3.544   2.193 -13.701
  441    HE   ARG  55           HE       ARG  55   3.327   3.394 -15.693
  442   HH11  ARG  55          HH11      ARG  55   1.958   5.250 -12.997
  443   HH12  ARG  55          HH12      ARG  55   1.929   6.740 -13.893
  444   HH21  ARG  55          HH21      ARG  55   3.252   5.365 -16.842
  445   HH22  ARG  55          HH22      ARG  55   2.631   6.802 -16.064
  446    H    GLY  56           H        GLY  56  -1.210  -0.504 -10.953
  447    HA2  GLY  56           HA2      GLY  56  -1.592  -2.667 -10.079
  448    HA3  GLY  56           HA3      GLY  56  -0.129  -3.258 -10.868
  449    H    PHE  57           H        PHE  57   0.214  -0.235  -9.096
  450    HA   PHE  57           HA       PHE  57   1.034  -1.567  -6.598
  451    HB2  PHE  57           HB2      PHE  57   3.221  -0.966  -6.645
  452    HB3  PHE  57           HB3      PHE  57   2.960  -1.747  -8.213
  453    HD1  PHE  57           HD1      PHE  57   2.517   0.001 -10.234
  454    HD2  PHE  57           HD2      PHE  57   4.327   0.975  -6.465
  455    HE1  PHE  57           HE1      PHE  57   3.619   1.968 -11.272
  456    HE2  PHE  57           HE2      PHE  57   5.423   2.964  -7.507
  457    HZ   PHE  57           HZ       PHE  57   5.047   3.468  -9.894
  458    H    ALA  58           H        ALA  58   1.356  -0.115  -4.896
  459    HA   ALA  58           HA       ALA  58   0.135   2.569  -5.343
  460    HB1  ALA  58           HB1      ALA  58  -1.096   1.160  -3.770
  461    HB2  ALA  58           HB2      ALA  58   0.398   0.838  -2.847
  462    HB3  ALA  58           HB3      ALA  58  -0.317   2.471  -2.895
  463    H    PHE  59           H        PHE  59   0.990   3.729  -3.014
  464    HA   PHE  59           HA       PHE  59   3.840   3.527  -2.573
  465    HB2  PHE  59           HB2      PHE  59   3.201   4.914  -4.843
  466    HB3  PHE  59           HB3      PHE  59   2.943   6.194  -3.673
  467    HD1  PHE  59           HD1      PHE  59   5.261   5.619  -1.747
  468    HD2  PHE  59           HD2      PHE  59   5.029   5.496  -6.051
  469    HE1  PHE  59           HE1      PHE  59   7.679   6.100  -1.900
  470    HE2  PHE  59           HE2      PHE  59   7.448   5.928  -6.195
  471    HZ   PHE  59           HZ       PHE  59   8.789   6.246  -4.118
  472    H    VAL  60           H        VAL  60   2.351   2.936  -0.709
  473    HA   VAL  60           HA       VAL  60   1.563   5.427   0.655
  474    HB   VAL  60           HB       VAL  60   0.943   4.365   2.445
  475   HG11  VAL  60          HG11      VAL  60  -0.137   2.224   2.049
  476   HG12  VAL  60          HG12      VAL  60  -0.384   3.368   0.713
  477   HG13  VAL  60          HG13      VAL  60   0.747   2.033   0.512
  478   HG21  VAL  60          HG21      VAL  60   2.916   3.661   3.395
  479   HG22  VAL  60          HG22      VAL  60   1.810   2.297   3.450
  480   HG23  VAL  60          HG23      VAL  60   3.131   2.346   2.230
  481    H    ARG  61           H        ARG  61   2.846   6.653   2.060
  482    HA   ARG  61           HA       ARG  61   5.610   5.678   2.519
  483    HB2  ARG  61           HB2      ARG  61   6.188   7.003   0.769
  484    HB3  ARG  61           HB3      ARG  61   4.834   8.135   0.976
  485    HG2  ARG  61           HG2      ARG  61   5.925   9.092   2.971
  486    HG3  ARG  61           HG3      ARG  61   7.237   7.893   2.834
  487    HD2  ARG  61           HD2      ARG  61   7.709   8.825   0.533
  488    HD3  ARG  61           HD3      ARG  61   6.594  10.157   0.912
  489    HE   ARG  61           HE       ARG  61   9.272   9.638   2.049
  490   HH11  ARG  61          HH11      ARG  61   6.300  11.589   2.313
  491   HH12  ARG  61          HH12      ARG  61   7.102  12.830   3.233
  492   HH21  ARG  61          HH21      ARG  61  10.223  11.241   3.281
  493   HH22  ARG  61          HH22      ARG  61   9.306  12.637   3.796
  494    H    PHE  62           H        PHE  62   6.468   5.972   4.246
  495    HA   PHE  62           HA       PHE  62   4.764   7.262   6.370
  496    HB2  PHE  62           HB2      PHE  62   6.702   4.968   6.406
  497    HB3  PHE  62           HB3      PHE  62   6.287   5.855   7.868
  498    HD1  PHE  62           HD1      PHE  62   3.937   5.029   5.037
  499    HD2  PHE  62           HD2      PHE  62   5.111   4.321   9.122
  500    HE1  PHE  62           HE1      PHE  62   1.851   3.793   5.397
  501    HE2  PHE  62           HE2      PHE  62   3.037   3.000   9.466
  502    HZ   PHE  62           HZ       PHE  62   1.432   2.722   7.657
  503    H    HIS  63           H        HIS  63   5.467   8.838   7.546
  504    HA   HIS  63           HA       HIS  63   7.900  10.279   6.875
  505    HB2  HIS  63           HB2      HIS  63   6.912  11.855   8.593
  506    HB3  HIS  63           HB3      HIS  63   5.820  11.472   7.250
  507    HD2  HIS  63           HD2      HIS  63   3.509  11.774   8.545
  508    HE1  HIS  63           HE1      HIS  63   4.097   8.755  11.481
  509    HE2  HIS  63           HE2      HIS  63   2.416  10.405  10.476
  510    H    ASP  64           H        ASP  64   7.231   7.689   8.934
  511    HA   ASP  64           HA       ASP  64   9.586   8.278  10.618
  512    HB2  ASP  64           HB2      ASP  64   7.570   9.140  11.797
  513    HB3  ASP  64           HB3      ASP  64   6.878   7.509  11.756
  514    H    LYS  65           H        LYS  65  10.844   6.575  10.302
  515    HA   LYS  65           HA       LYS  65  10.106   4.163   9.110
  516    HB2  LYS  65           HB2      LYS  65  12.341   3.434   9.615
  517    HB3  LYS  65           HB3      LYS  65  12.371   5.167   9.249
  518    HG2  LYS  65           HG2      LYS  65  12.144   5.473  11.849
  519    HG3  LYS  65           HG3      LYS  65  12.660   3.775  11.936
  520    HD2  LYS  65           HD2      LYS  65  14.151   6.092  10.628
  521    HD3  LYS  65           HD3      LYS  65  14.577   5.303  12.155
  522    HE2  LYS  65           HE2      LYS  65  15.041   3.205  10.978
  523    HE3  LYS  65           HE3      LYS  65  14.494   3.907   9.443
  524    HZ1  LYS  65           HZ1      LYS  65  16.889   3.964   9.677
  525    HZ2  LYS  65           HZ2      LYS  65  16.272   5.477   9.562
  526    HZ3  LYS  65           HZ3      LYS  65  16.761   4.913  11.025
  527    H    ARG  66           H        ARG  66   9.824   5.084  12.507
  528    HA   ARG  66           HA       ARG  66   9.943   2.375  13.537
  529    HB2  ARG  66           HB2      ARG  66   8.719   4.906  14.718
  530    HB3  ARG  66           HB3      ARG  66   9.078   3.414  15.603
  531    HG2  ARG  66           HG2      ARG  66  11.089   5.284  14.283
  532    HG3  ARG  66           HG3      ARG  66  10.835   5.043  16.019
  533    HD2  ARG  66           HD2      ARG  66  11.540   2.669  15.781
  534    HD3  ARG  66           HD3      ARG  66  11.858   2.959  14.056
  535    HE   ARG  66           HE       ARG  66  13.230   4.794  15.869
  536   HH11  ARG  66          HH11      ARG  66  13.419   1.722  14.112
  537   HH12  ARG  66          HH12      ARG  66  15.163   1.661  14.179
  538   HH21  ARG  66          HH21      ARG  66  15.496   4.680  15.932
  539   HH22  ARG  66          HH22      ARG  66  16.329   3.325  15.204
  540    H    ASP  67           H        ASP  67   7.262   4.649  12.749
  541    HA   ASP  67           HA       ASP  67   5.173   2.749  13.329
  542    HB2  ASP  67           HB2      ASP  67   5.238   5.155  11.458
  543    HB3  ASP  67           HB3      ASP  67   3.782   4.290  11.951
  544    H    ALA  68           H        ALA  68   7.355   3.312  10.608
  545    HA   ALA  68           HA       ALA  68   5.796   1.782   8.700
  546    HB1  ALA  68           HB1      ALA  68   8.691   2.725   8.748
  547    HB2  ALA  68           HB2      ALA  68   7.855   2.025   7.353
  548    HB3  ALA  68           HB3      ALA  68   7.313   3.592   8.024
  549    H    GLU  69           H        GLU  69   8.462   1.110  11.004
  550    HA   GLU  69           HA       GLU  69   9.278  -1.401   9.993
  551    HB2  GLU  69           HB2      GLU  69   9.320  -0.016  12.672
  552    HB3  GLU  69           HB3      GLU  69   9.641  -1.751  12.606
  553    HG2  GLU  69           HG2      GLU  69  11.418  -1.349  10.905
  554    HG3  GLU  69           HG3      GLU  69  11.125   0.386  11.002
  555    H    ASP  70           H        ASP  70   6.782  -0.599  12.504
  556    HA   ASP  70           HA       ASP  70   6.191  -3.391  12.868
  557    HB2  ASP  70           HB2      ASP  70   4.467  -0.979  13.545
  558    HB3  ASP  70           HB3      ASP  70   4.304  -2.629  14.178
  559    H    ALA  71           H        ALA  71   4.617  -0.765  10.948
  560    HA   ALA  71           HA       ALA  71   2.401  -2.298  10.101
  561    HB1  ALA  71           HB1      ALA  71   2.186  -0.622   8.338
  562    HB2  ALA  71           HB2      ALA  71   2.649   0.182   9.849
  563    HB3  ALA  71           HB3      ALA  71   3.870  -0.093   8.594
  564    H    MET  72           H        MET  72   5.656  -1.850   8.599
  565    HA   MET  72           HA       MET  72   5.140  -3.443   6.288
  566    HB2  MET  72           HB2      MET  72   6.962  -1.878   6.353
  567    HB3  MET  72           HB3      MET  72   7.633  -2.613   7.815
  568    HG2  MET  72           HG2      MET  72   8.385  -4.531   6.692
  569    HG3  MET  72           HG3      MET  72   7.403  -4.202   5.258
  570    HE1  MET  72           HE1      MET  72  10.121  -2.491   7.541
  571    HE2  MET  72           HE2      MET  72  10.873  -1.342   6.388
  572    HE3  MET  72           HE3      MET  72   9.188  -1.126   6.878
  573    H    ASP  73           H        ASP  73   6.535  -4.248   9.514
  574    HA   ASP  73           HA       ASP  73   6.987  -7.009   8.809
  575    HB2  ASP  73           HB2      ASP  73   6.858  -5.538  11.470
  576    HB3  ASP  73           HB3      ASP  73   7.231  -7.260  11.315
  577    H    ALA  74           H        ALA  74   4.113  -5.346   9.169
  578    HA   ALA  74           HA       ALA  74   2.694  -7.853   9.908
  579    HB1  ALA  74           HB1      ALA  74   2.005  -4.983  10.637
  580    HB2  ALA  74           HB2      ALA  74   1.017  -6.419  11.021
  581    HB3  ALA  74           HB3      ALA  74   2.632  -6.214  11.747
  582    H    MET  75           H        MET  75   3.418  -5.986   7.312
  583    HA   MET  75           HA       MET  75   0.739  -6.460   6.100
  584    HB2  MET  75           HB2      MET  75   2.366  -3.906   6.046
  585    HB3  MET  75           HB3      MET  75   1.194  -4.290   4.794
  586    HG2  MET  75           HG2      MET  75   0.565  -4.121   7.761
  587    HG3  MET  75           HG3      MET  75   0.199  -2.891   6.545
  588    HE1  MET  75           HE1      MET  75  -2.284  -4.912   4.189
  589    HE2  MET  75           HE2      MET  75  -1.158  -3.531   4.317
  590    HE3  MET  75           HE3      MET  75  -0.528  -5.179   4.131
  591    H    ASP  76           H        ASP  76   4.265  -6.586   5.749
  592    HA   ASP  76           HA       ASP  76   4.256  -6.748   2.903
  593    HB2  ASP  76           HB2      ASP  76   6.287  -6.365   4.290
  594    HB3  ASP  76           HB3      ASP  76   6.178  -8.036   4.877
  595    H    GLY  77           H        GLY  77   3.339  -8.249   1.656
  596    HA2  GLY  77           HA2      GLY  77   2.575 -10.220   0.868
  597    HA3  GLY  77           HA3      GLY  77   3.583 -11.070   2.066
  598    H    ALA  78           H        ALA  78   1.124  -8.670   2.920
  599    HA   ALA  78           HA       ALA  78  -0.195 -10.651   4.632
  600    HB1  ALA  78           HB1      ALA  78   0.395  -8.433   5.510
  601    HB2  ALA  78           HB2      ALA  78  -0.632  -7.661   4.276
  602    HB3  ALA  78           HB3      ALA  78  -1.363  -8.680   5.540
  603    H    VAL  79           H        VAL  79  -0.499 -10.040   1.482
  604    HA   VAL  79           HA       VAL  79  -2.214  -9.866  -0.057
  605    HB   VAL  79           HB       VAL  79  -1.682 -12.146  -0.013
  606   HG11  VAL  79          HG11      VAL  79  -1.745 -12.624   2.349
  607   HG12  VAL  79          HG12      VAL  79  -3.528 -12.477   2.378
  608   HG13  VAL  79          HG13      VAL  79  -2.744 -13.789   1.467
  609   HG21  VAL  79          HG21      VAL  79  -3.533 -11.494  -1.310
  610   HG22  VAL  79          HG22      VAL  79  -3.627 -13.184  -0.775
  611   HG23  VAL  79          HG23      VAL  79  -4.675 -11.970  -0.003
  612    H    LEU  80           H        LEU  80  -3.043  -7.904   0.830
  613    HA   LEU  80           HA       LEU  80  -5.358  -7.741   2.434
  614    HB2  LEU  80           HB2      LEU  80  -3.956  -5.905   2.184
  615    HB3  LEU  80           HB3      LEU  80  -3.878  -6.047   0.430
  616    HG   LEU  80           HG       LEU  80  -6.483  -5.263   1.753
  617   HD11  LEU  80          HD11      LEU  80  -4.143  -3.486   0.944
  618   HD12  LEU  80          HD12      LEU  80  -5.763  -2.917   1.430
  619   HD13  LEU  80          HD13      LEU  80  -4.732  -3.764   2.605
  620   HD21  LEU  80          HD21      LEU  80  -5.137  -4.677  -0.935
  621   HD22  LEU  80          HD22      LEU  80  -6.466  -5.827  -0.699
  622   HD23  LEU  80          HD23      LEU  80  -6.748  -4.093  -0.434
  623    H    ASP  81           H        ASP  81  -5.027  -8.902  -0.843
  624    HA   ASP  81           HA       ASP  81  -7.993  -8.864  -1.053
  625    HB2  ASP  81           HB2      ASP  81  -7.224  -6.921  -2.341
  626    HB3  ASP  81           HB3      ASP  81  -6.061  -7.931  -3.212
  627    H    GLY  82           H        GLY  82  -4.930 -10.102  -2.518
  628    HA2  GLY  82           HA2      GLY  82  -5.195 -12.738  -2.152
  629    HA3  GLY  82           HA3      GLY  82  -6.368 -12.511  -3.476
  630    H    ARG  83           H        ARG  83  -3.403 -10.623  -3.142
  631    HA   ARG  83           HA       ARG  83  -2.091 -12.204  -5.299
  632    HB2  ARG  83           HB2      ARG  83  -1.438  -9.968  -6.309
  633    HB3  ARG  83           HB3      ARG  83  -3.149 -10.408  -6.483
  634    HG2  ARG  83           HG2      ARG  83  -3.850  -8.914  -4.790
  635    HG3  ARG  83           HG3      ARG  83  -2.210  -8.703  -4.147
  636    HD2  ARG  83           HD2      ARG  83  -3.005  -6.787  -5.534
  637    HD3  ARG  83           HD3      ARG  83  -1.506  -7.536  -6.112
  638    HE   ARG  83           HE       ARG  83  -4.225  -8.009  -7.316
  639   HH11  ARG  83          HH11      ARG  83  -0.707  -7.727  -7.699
  640   HH12  ARG  83          HH12      ARG  83  -0.769  -8.047  -9.414
  641   HH21  ARG  83          HH21      ARG  83  -4.259  -8.397  -9.529
  642   HH22  ARG  83          HH22      ARG  83  -2.769  -8.413 -10.448
  643    H    GLU  84           H        GLU  84  -1.865 -10.201  -2.466
  644    HA   GLU  84           HA       GLU  84  -0.429 -10.693  -0.760
  645    HB2  GLU  84           HB2      GLU  84   0.727 -12.441  -2.602
  646    HB3  GLU  84           HB3      GLU  84   2.049 -11.338  -2.133
  647    HG2  GLU  84           HG2      GLU  84   1.251 -11.754   0.294
  648    HG3  GLU  84           HG3      GLU  84   0.232 -13.021  -0.362
  649    H    LEU  85           H        LEU  85  -0.605  -8.595  -0.284
  650    HA   LEU  85           HA       LEU  85   0.388  -6.342  -1.461
  651    HB2  LEU  85           HB2      LEU  85  -0.983  -6.989   0.751
  652    HB3  LEU  85           HB3      LEU  85   0.564  -6.686   1.527
  653    HG   LEU  85           HG       LEU  85  -0.980  -4.801   1.627
  654   HD11  LEU  85          HD11      LEU  85   0.480  -3.039   1.043
  655   HD12  LEU  85          HD12      LEU  85   1.517  -4.411   1.503
  656   HD13  LEU  85          HD13      LEU  85   1.282  -3.984  -0.219
  657   HD21  LEU  85          HD21      LEU  85  -1.627  -3.520  -0.331
  658   HD22  LEU  85          HD22      LEU  85  -0.695  -4.581  -1.399
  659   HD23  LEU  85          HD23      LEU  85  -2.135  -5.207  -0.553
  660    H    ARG  86           H        ARG  86   2.295  -4.994  -1.059
  661    HA   ARG  86           HA       ARG  86   4.708  -6.516  -0.149
  662    HB2  ARG  86           HB2      ARG  86   4.366  -4.773  -2.610
  663    HB3  ARG  86           HB3      ARG  86   5.931  -5.369  -2.014
  664    HG2  ARG  86           HG2      ARG  86   3.609  -7.104  -2.940
  665    HG3  ARG  86           HG3      ARG  86   5.068  -6.722  -3.878
  666    HD2  ARG  86           HD2      ARG  86   6.468  -7.782  -2.139
  667    HD3  ARG  86           HD3      ARG  86   5.022  -8.167  -1.193
  668    HE   ARG  86           HE       ARG  86   5.444  -9.241  -3.953
  669   HH11  ARG  86          HH11      ARG  86   4.613  -9.715  -0.550
  670   HH12  ARG  86          HH12      ARG  86   4.240 -11.415  -0.764
  671   HH21  ARG  86          HH21      ARG  86   4.939 -11.462  -4.190
  672   HH22  ARG  86          HH22      ARG  86   4.421 -12.386  -2.793
  673    H    VAL  87           H        VAL  87   6.031  -5.383   1.200
  674    HA   VAL  87           HA       VAL  87   5.711  -2.437   1.322
  675    HB   VAL  87           HB       VAL  87   5.746  -4.216   3.786
  676   HG11  VAL  87          HG11      VAL  87   6.584  -2.005   4.163
  677   HG12  VAL  87          HG12      VAL  87   5.251  -1.260   3.262
  678   HG13  VAL  87          HG13      VAL  87   4.933  -2.053   4.824
  679   HG21  VAL  87          HG21      VAL  87   3.677  -4.749   2.727
  680   HG22  VAL  87          HG22      VAL  87   3.348  -3.629   4.058
  681   HG23  VAL  87          HG23      VAL  87   3.337  -3.051   2.369
  682    H    GLN  88           H        GLN  88   7.513  -1.346   1.704
  683    HA   GLN  88           HA       GLN  88   9.954  -2.462   2.799
  684    HB2  GLN  88           HB2      GLN  88  11.218  -2.230   0.641
  685    HB3  GLN  88           HB3      GLN  88  10.131  -3.634   0.707
  686    HG2  GLN  88           HG2      GLN  88   8.449  -2.480  -0.608
  687    HG3  GLN  88           HG3      GLN  88   9.405  -0.994  -0.617
  688   HE21  GLN  88          HE22      GLN  88   8.442  -2.504  -2.938
  689   HE22  GLN  88          HE21      GLN  88   9.861  -3.020  -3.822
  690    H    MET  89           H        MET  89  11.530  -0.870   3.096
  691    HA   MET  89           HA       MET  89  10.819   1.812   3.340
  692    HB2  MET  89           HB2      MET  89  13.484   0.428   2.937
  693    HB3  MET  89           HB3      MET  89  13.344   2.165   3.300
  694    HG2  MET  89           HG2      MET  89  11.914   0.076   4.957
  695    HG3  MET  89           HG3      MET  89  13.582   0.509   5.305
  696    HE1  MET  89           HE1      MET  89  12.153   0.822   7.728
  697    HE2  MET  89           HE2      MET  89  11.012   2.166   7.986
  698    HE3  MET  89           HE3      MET  89  10.567   0.803   6.927
  699    H    ALA  90           H        ALA  90  10.851   3.578   2.031
  700    HA   ALA  90           HA       ALA  90  10.633   3.074  -0.813
  701    HB1  ALA  90           HB1      ALA  90  10.547   5.669   0.791
  702    HB2  ALA  90           HB2      ALA  90  10.026   5.458  -0.904
  703    HB3  ALA  90           HB3      ALA  90   9.151   4.651   0.404
  704    H    ARG  91           H        ARG  91  13.217   3.967   1.253
  705    HA   ARG  91           HA       ARG  91  15.459   3.916   0.623
  706    HB2  ARG  91           HB2      ARG  91  14.823   3.517  -1.813
  707    HB3  ARG  91           HB3      ARG  91  14.698   5.291  -1.978
  708    HG2  ARG  91           HG2      ARG  91  17.072   5.482  -1.240
  709    HG3  ARG  91           HG3      ARG  91  17.172   3.695  -1.243
  710    HD2  ARG  91           HD2      ARG  91  16.464   3.689  -3.613
  711    HD3  ARG  91           HD3      ARG  91  16.361   5.460  -3.585
  712    HE   ARG  91           HE       ARG  91  18.980   4.671  -2.754
  713   HH11  ARG  91          HH11      ARG  91  16.977   4.700  -5.670
  714   HH12  ARG  91          HH12      ARG  91  18.349   4.815  -6.747
  715   HH21  ARG  91          HH21      ARG  91  20.739   4.835  -4.178
  716   HH22  ARG  91          HH22      ARG  91  20.472   4.871  -5.908
  717    H    TYR  92           H        TYR  92  13.179   6.475   0.357
  718    HA   TYR  92           HA       TYR  92  15.114   8.649   0.557
  719    HB2  TYR  92           HB2      TYR  92  12.110   8.703   0.978
  720    HB3  TYR  92           HB3      TYR  92  13.158  10.077   0.613
  721    HD1  TYR  92           HD1      TYR  92  11.519   7.054  -0.722
  722    HD2  TYR  92           HD2      TYR  92  13.997  10.435  -1.675
  723    HE1  TYR  92           HE1      TYR  92  11.136   6.636  -3.133
  724    HE2  TYR  92           HE2      TYR  92  13.612  10.032  -4.099
  725    HH   TYR  92           HH       TYR  92  11.574   7.339  -5.274
  726    H    GLY  93           H        GLY  93  14.774  10.346   2.393
  727    HA2  GLY  93           HA2      GLY  93  13.955   9.422   4.986
  728    HA3  GLY  93           HA3      GLY  93  15.704   9.240   4.783
  729    H    ARG  94           H        ARG  94  15.579  10.826   6.638
  730    HA   ARG  94           HA       ARG  94  14.721  13.488   6.406
  731    HB2  ARG  94           HB2      ARG  94  17.136  12.348   7.878
  732    HB3  ARG  94           HB3      ARG  94  16.419  13.934   8.183
  733    HG2  ARG  94           HG2      ARG  94  14.993  11.261   8.547
  734    HG3  ARG  94           HG3      ARG  94  15.702  12.248   9.834
  735    HD2  ARG  94           HD2      ARG  94  14.179  14.110   9.249
  736    HD3  ARG  94           HD3      ARG  94  13.423  13.112   7.997
  737    HE   ARG  94           HE       ARG  94  13.348  12.565  10.945
  738   HH11  ARG  94          HH11      ARG  94  11.915  12.221   7.720
  739   HH12  ARG  94          HH12      ARG  94  10.500  11.386   8.337
  740   HH21  ARG  94          HH21      ARG  94  11.506  11.456  11.678
  741   HH22  ARG  94          HH22      ARG  94  10.267  10.978  10.532
  742    HA   PRO  95           HA       PRO  95  17.497  15.389   3.569
  743    HB2  PRO  95           HB2      PRO  95  17.567  17.967   4.473
  744    HB3  PRO  95           HB3      PRO  95  16.109  17.241   3.722
  745    HG2  PRO  95           HG2      PRO  95  16.734  17.523   6.674
  746    HG3  PRO  95           HG3      PRO  95  15.220  17.954   5.817
  747    HD2  PRO  95           HD2      PRO  95  15.484  15.581   7.121
  748    HD3  PRO  95           HD3      PRO  95  14.615  15.690   5.556
  749    HA   PRO  96           HA       PRO  96  21.674  15.515   4.993
  750    HB2  PRO  96           HB2      PRO  96  21.922  18.193   3.643
  751    HB3  PRO  96           HB3      PRO  96  22.958  16.743   3.454
  752    HG2  PRO  96           HG2      PRO  96  21.144  17.368   1.554
  753    HG3  PRO  96           HG3      PRO  96  21.318  15.661   2.104
  754    HD2  PRO  96           HD2      PRO  96  19.253  17.703   2.962
  755    HD3  PRO  96           HD3      PRO  96  19.027  15.987   2.480
  756    H    ASP  97           H        ASP  97  19.540  17.303   6.611
  757    HA   ASP  97           HA       ASP  97  21.614  18.790   8.131
  758    HB2  ASP  97           HB2      ASP  97  20.431  20.294   6.515
  759    HB3  ASP  97           HB3      ASP  97  18.906  19.887   7.313
  760    H    SER  98           H        SER  98  19.411  16.344   8.295
  761    HA   SER  98           HA       SER  98  19.252  16.607  11.206
  762    HB2  SER  98           HB2      SER  98  16.822  16.324  11.313
  763    HB3  SER  98           HB3      SER  98  17.239  17.827  10.472
  764    HG   SER  98           HG       SER  98  15.632  16.639   9.376
  765    H    HIS  99           H        HIS  99  17.865  14.575  12.018
  766    HA   HIS  99           HA       HIS  99  18.328  12.183  10.359
  767    HB2  HIS  99           HB2      HIS  99  19.731  11.111  12.036
  768    HB3  HIS  99           HB3      HIS  99  20.505  12.588  11.464
  769    HD2  HIS  99           HD2      HIS  99  19.380  10.870  14.612
  770    HE1  HIS  99           HE1      HIS  99  20.286  14.844  15.812
  771    HE2  HIS  99           HE2      HIS  99  19.764  12.488  16.630
  772    H    HIS 100           H        HIS 100  17.711  10.176  11.814
  773    HA   HIS 100           HA       HIS 100  15.575  10.816  13.737
  774    HB2  HIS 100           HB2      HIS 100  14.664  10.782  11.347
  775    HB3  HIS 100           HB3      HIS 100  15.064   9.067  11.300
  776    HD2  HIS 100           HD2      HIS 100  13.230   7.449  12.218
  777    HE1  HIS 100           HE1      HIS 100  10.767  10.257  14.246
  778    HE2  HIS 100           HE2      HIS 100  10.979   7.832  13.499
  779    H    SER 101           H        SER 101  18.318   9.226  13.194
  780    HA   SER 101           HA       SER 101  17.642   6.988  14.998
  781    HB2  SER 101           HB2      SER 101  18.993   6.606  12.296
  782    HB3  SER 101           HB3      SER 101  18.804   5.365  13.550
  783    HG   SER 101           HG       SER 101  16.504   5.754  13.368
  Start of MODEL    3
    1    H    MET   1           H1       MET   1  -4.926 -13.134  13.411
    2    HA   MET   1           HA       MET   1  -3.377 -11.596  12.476
    3    HB2  MET   1           HB2      MET   1  -1.583 -11.858  14.112
    4    HB3  MET   1           HB3      MET   1  -3.152 -12.187  14.851
    5    HG2  MET   1           HG2      MET   1  -2.754 -14.614  14.614
    6    HG3  MET   1           HG3      MET   1  -1.182 -14.287  13.859
    7    HE1  MET   1           HE1      MET   1  -0.018 -15.935  15.540
    8    HE2  MET   1           HE2      MET   1  -0.220 -15.847  17.305
    9    HE3  MET   1           HE3      MET   1  -1.606 -16.264  16.277
   10    H    SER   2           H        SER   2  -1.067 -11.284  11.798
   11    HA   SER   2           HA       SER   2   0.189 -13.545  10.408
   12    HB2  SER   2           HB2      SER   2   0.236 -12.260   8.256
   13    HB3  SER   2           HB3      SER   2  -1.384 -12.866   8.701
   14    HG   SER   2           HG       SER   2  -1.410 -10.666   8.039
   15    H    TYR   3           H        TYR   3   2.105 -12.621   9.072
   16    HA   TYR   3           HA       TYR   3   3.246 -10.125  10.115
   17    HB2  TYR   3           HB2      TYR   3   5.296 -11.136  10.822
   18    HB3  TYR   3           HB3      TYR   3   3.968 -11.912  11.687
   19    HD1  TYR   3           HD2      TYR   3   3.244 -14.242  10.986
   20    HD2  TYR   3           HD1      TYR   3   6.765 -12.339   9.411
   21    HE1  TYR   3           HE2      TYR   3   4.088 -16.449  10.220
   22    HE2  TYR   3           HE1      TYR   3   7.620 -14.536   8.644
   23    HH   TYR   3           HH       TYR   3   7.231 -16.794   8.527
   24    H    GLY   4           H        GLY   4   5.459  -9.855   8.968
   25    HA2  GLY   4           HA2      GLY   4   5.566 -11.070   6.266
   26    HA3  GLY   4           HA3      GLY   4   5.357  -9.318   6.374
   27    H    ARG   5           H        ARG   5   7.535  -9.791   5.078
   28    HA   ARG   5           HA       ARG   5   9.891 -10.597   6.403
   29    HB2  ARG   5           HB2      ARG   5   9.438  -8.656   4.126
   30    HB3  ARG   5           HB3      ARG   5  11.040  -9.204   4.668
   31    HG2  ARG   5           HG2      ARG   5  10.433 -11.544   4.262
   32    HG3  ARG   5           HG3      ARG   5   8.803 -11.067   3.753
   33    HD2  ARG   5           HD2      ARG   5  11.387 -10.169   2.431
   34    HD3  ARG   5           HD3      ARG   5  10.319 -11.453   1.822
   35    HE   ARG   5           HE       ARG   5   8.628  -9.316   2.088
   36   HH11  ARG   5          HH11      ARG   5  11.688  -9.758   0.378
   37   HH12  ARG   5          HH12      ARG   5  11.316  -8.550  -0.832
   38   HH21  ARG   5          HH21      ARG   5   8.191  -7.735   0.569
   39   HH22  ARG   5          HH22      ARG   5   9.306  -7.417  -0.743
   40    HA   PRO   6           HA       PRO   6  10.688  -7.156   9.111
   41    HB2  PRO   6           HB2      PRO   6  13.326  -7.578   9.672
   42    HB3  PRO   6           HB3      PRO   6  12.043  -8.703  10.216
   43    HG2  PRO   6           HG2      PRO   6  13.806  -8.939   7.754
   44    HG3  PRO   6           HG3      PRO   6  13.490 -10.183   9.007
   45    HD2  PRO   6           HD2      PRO   6  12.092 -10.110   6.659
   46    HD3  PRO   6           HD3      PRO   6  11.319 -10.593   8.201
   47    HA   PRO   7           HA       PRO   7  12.383  -3.746   6.856
   48    HB2  PRO   7           HB2      PRO   7  14.327  -3.355   9.128
   49    HB3  PRO   7           HB3      PRO   7  13.282  -2.140   8.337
   50    HG2  PRO   7           HG2      PRO   7  12.587  -3.178  10.745
   51    HG3  PRO   7           HG3      PRO   7  11.340  -2.973   9.463
   52    HD2  PRO   7           HD2      PRO   7  12.803  -5.484  10.281
   53    HD3  PRO   7           HD3      PRO   7  11.069  -5.257   9.890
   54    HA   PRO   8           HA       PRO   8  15.979  -5.235   4.783
   55    HB2  PRO   8           HB2      PRO   8  16.985  -2.952   3.616
   56    HB3  PRO   8           HB3      PRO   8  15.478  -3.758   3.091
   57    HG2  PRO   8           HG2      PRO   8  15.757  -1.358   4.910
   58    HG3  PRO   8           HG3      PRO   8  14.627  -1.594   3.536
   59    HD2  PRO   8           HD2      PRO   8  13.893  -2.004   6.137
   60    HD3  PRO   8           HD3      PRO   8  13.239  -3.010   4.807
   61    H    ASP   9           H        ASP   9  17.060  -2.016   5.738
   62    HA   ASP   9           HA       ASP   9  18.910  -3.121   7.774
   63    HB2  ASP   9           HB2      ASP   9  19.830  -1.508   5.360
   64    HB3  ASP   9           HB3      ASP   9  20.827  -1.860   6.779
   65    H    VAL  10           H        VAL  10  17.394  -0.363   6.158
   66    HA   VAL  10           HA       VAL  10  16.989   1.751   6.709
   67    HB   VAL  10           HB       VAL  10  15.774   2.097   8.738
   68   HG11  VAL  10          HG11      VAL  10  14.745   0.813   6.902
   69   HG12  VAL  10          HG12      VAL  10  15.303  -0.711   7.655
   70   HG13  VAL  10          HG13      VAL  10  14.117   0.310   8.484
   71   HG21  VAL  10          HG21      VAL  10  15.586   0.461  10.515
   72   HG22  VAL  10          HG22      VAL  10  16.681  -0.652   9.676
   73   HG23  VAL  10          HG23      VAL  10  17.293   0.890  10.328
   74    H    GLU  11           H        GLU  11  19.879   0.919   7.210
   75    HA   GLU  11           HA       GLU  11  20.799   2.580   9.371
   76    HB2  GLU  11           HB2      GLU  11  22.168   1.359   6.947
   77    HB3  GLU  11           HB3      GLU  11  23.040   2.244   8.205
   78    HG2  GLU  11           HG2      GLU  11  21.364  -0.247   8.687
   79    HG3  GLU  11           HG3      GLU  11  23.120  -0.214   8.551
   80    H    GLY  12           H        GLY  12  19.335   3.555   6.545
   81    HA2  GLY  12           HA2      GLY  12  20.392   6.248   6.750
   82    HA3  GLY  12           HA3      GLY  12  20.949   5.402   5.287
   83    H    MET  13           H        MET  13  17.775   4.765   6.741
   84    HA   MET  13           HA       MET  13  16.417   6.395   4.662
   85    HB2  MET  13           HB2      MET  13  15.911   3.440   5.165
   86    HB3  MET  13           HB3      MET  13  15.039   4.467   4.015
   87    HG2  MET  13           HG2      MET  13  17.103   4.809   2.726
   88    HG3  MET  13           HG3      MET  13  18.010   3.811   3.876
   89    HE1  MET  13           HE1      MET  13  16.051   1.403   4.519
   90    HE2  MET  13           HE2      MET  13  16.665   0.237   3.321
   91    HE3  MET  13           HE3      MET  13  17.802   1.286   4.197
   92    H    THR  14           H        THR  14  14.123   6.677   5.144
   93    HA   THR  14           HA       THR  14  13.225   5.715   7.782
   94    HB   THR  14           HB       THR  14  13.153   8.659   6.996
   95   HG21  THR  14          HG21      THR  14  11.219   7.941   8.400
   96   HG22  THR  14          HG22      THR  14  12.341   7.255   9.589
   97   HG23  THR  14          HG23      THR  14  12.319   9.006   9.299
   98    H    SER  15           H        SER  15  12.504   7.248   4.646
   99    HA   SER  15           HA       SER  15   9.614   7.153   4.941
  100    HB2  SER  15           HB2      SER  15  11.417   7.247   2.489
  101    HB3  SER  15           HB3      SER  15   9.660   7.501   2.482
  102    HG   SER  15           HG       SER  15  11.563   9.051   3.914
  103    H    LEU  16           H        LEU  16   8.182   5.672   4.468
  104    HA   LEU  16           HA       LEU  16   9.165   2.981   3.624
  105    HB2  LEU  16           HB2      LEU  16   7.710   3.282   5.675
  106    HB3  LEU  16           HB3      LEU  16   6.416   3.859   4.599
  107    HG   LEU  16           HG       LEU  16   6.502   1.645   3.397
  108   HD11  LEU  16          HD11      LEU  16   8.352   0.899   5.715
  109   HD12  LEU  16          HD12      LEU  16   7.666  -0.223   4.519
  110   HD13  LEU  16          HD13      LEU  16   8.821   1.017   4.006
  111   HD21  LEU  16          HD21      LEU  16   5.971   1.529   6.384
  112   HD22  LEU  16          HD22      LEU  16   4.833   2.069   5.124
  113   HD23  LEU  16          HD23      LEU  16   5.361   0.381   5.168
  114    H    LYS  17           H        LYS  17   7.968   1.895   1.935
  115    HA   LYS  17           HA       LYS  17   6.272   3.467   0.082
  116    HB2  LYS  17           HB2      LYS  17   8.249   3.734  -1.044
  117    HB3  LYS  17           HB3      LYS  17   8.929   2.202  -0.464
  118    HG2  LYS  17           HG2      LYS  17   8.552   2.013  -2.793
  119    HG3  LYS  17           HG3      LYS  17   7.392   0.965  -1.965
  120    HD2  LYS  17           HD2      LYS  17   5.681   2.813  -2.226
  121    HD3  LYS  17           HD3      LYS  17   6.889   3.711  -3.185
  122    HE2  LYS  17           HE2      LYS  17   5.670   1.015  -3.837
  123    HE3  LYS  17           HE3      LYS  17   5.363   2.547  -4.660
  124    HZ1  LYS  17           HZ1      LYS  17   6.936   1.143  -5.817
  125    HZ2  LYS  17           HZ2      LYS  17   7.617   2.588  -5.403
  126    HZ3  LYS  17           HZ3      LYS  17   7.979   1.213  -4.558
  127    H    VAL  18           H        VAL  18   4.589   2.213  -0.635
  128    HA   VAL  18           HA       VAL  18   4.725  -0.749  -0.139
  129    HB   VAL  18           HB       VAL  18   2.629   1.290   0.510
  130   HG11  VAL  18          HG11      VAL  18   2.162  -1.688   0.042
  131   HG12  VAL  18          HG12      VAL  18   0.995  -0.584   0.827
  132   HG13  VAL  18          HG13      VAL  18   1.428  -0.362  -0.871
  133   HG21  VAL  18          HG21      VAL  18   4.252   0.539   2.232
  134   HG22  VAL  18          HG22      VAL  18   2.594   0.042   2.633
  135   HG23  VAL  18          HG23      VAL  18   3.751  -1.139   1.944
  136    H    ASP  19           H        ASP  19   3.833  -2.020  -1.614
  137    HA   ASP  19           HA       ASP  19   3.091  -0.913  -4.275
  138    HB2  ASP  19           HB2      ASP  19   5.115  -3.079  -3.552
  139    HB3  ASP  19           HB3      ASP  19   4.583  -2.706  -5.193
  140    H    ASN  20           H        ASN  20   2.591  -2.840  -5.736
  141    HA   ASN  20           HA       ASN  20   1.347  -4.517  -6.427
  142    HB2  ASN  20           HB2      ASN  20   2.684  -5.765  -4.623
  143    HB3  ASN  20           HB3      ASN  20   1.181  -5.760  -3.703
  144   HD21  ASN  20          HD22      ASN  20   0.871  -8.034  -3.928
  145   HD22  ASN  20          HD21      ASN  20   0.411  -8.761  -5.455
  146    H    LEU  21           H        LEU  21  -0.601  -4.203  -7.120
  147    HA   LEU  21           HA       LEU  21  -2.843  -3.756  -5.221
  148    HB2  LEU  21           HB2      LEU  21  -2.379  -2.213  -7.791
  149    HB3  LEU  21           HB3      LEU  21  -3.715  -1.977  -6.642
  150    HG   LEU  21           HG       LEU  21  -0.767  -1.446  -6.128
  151   HD11  LEU  21          HD11      LEU  21  -1.870   0.119  -7.703
  152   HD12  LEU  21          HD12      LEU  21  -3.151   0.417  -6.517
  153   HD13  LEU  21          HD13      LEU  21  -1.481   0.919  -6.169
  154   HD21  LEU  21          HD21      LEU  21  -2.995  -0.490  -4.344
  155   HD22  LEU  21          HD22      LEU  21  -2.361  -2.138  -4.125
  156   HD23  LEU  21          HD23      LEU  21  -1.260  -0.768  -3.994
  157    H    THR  22           H        THR  22  -4.971  -3.791  -6.526
  158    HA   THR  22           HA       THR  22  -4.850  -5.729  -8.778
  159    HB   THR  22           HB       THR  22  -5.497  -6.871  -6.674
  160   HG21  THR  22          HG21      THR  22  -7.886  -4.989  -6.704
  161   HG22  THR  22          HG22      THR  22  -7.665  -6.393  -5.632
  162   HG23  THR  22          HG23      THR  22  -6.573  -5.001  -5.497
  163    H    TYR  23           H        TYR  23  -5.288  -2.674  -8.260
  164    HA   TYR  23           HA       TYR  23  -6.207  -1.047  -9.547
  165    HB2  TYR  23           HB2      TYR  23  -6.853  -1.647 -11.539
  166    HB3  TYR  23           HB3      TYR  23  -6.993  -3.318 -11.038
  167    HD1  TYR  23           HD1      TYR  23  -9.311  -3.790  -9.605
  168    HD2  TYR  23           HD2      TYR  23  -8.678  -0.694 -12.526
  169    HE1  TYR  23           HE1      TYR  23 -11.744  -3.677  -9.995
  170    HE2  TYR  23           HE2      TYR  23 -11.129  -0.580 -12.937
  171    HH   TYR  23           HH       TYR  23 -13.442  -2.684 -11.186
  172    H    ARG  24           H        ARG  24  -7.700  -2.881  -7.262
  173    HA   ARG  24           HA       ARG  24  -9.944  -0.904  -6.899
  174    HB2  ARG  24           HB2      ARG  24 -10.705  -3.091  -7.646
  175    HB3  ARG  24           HB3      ARG  24  -9.800  -3.874  -6.352
  176    HG2  ARG  24           HG2      ARG  24 -11.256  -2.753  -4.658
  177    HG3  ARG  24           HG3      ARG  24 -12.130  -1.935  -5.981
  178    HD2  ARG  24           HD2      ARG  24 -13.386  -3.894  -5.323
  179    HD3  ARG  24           HD3      ARG  24 -12.664  -4.193  -6.922
  180    HE   ARG  24           HE       ARG  24 -10.964  -5.107  -4.767
  181   HH11  ARG  24          HH11      ARG  24 -13.805  -5.985  -6.676
  182   HH12  ARG  24          HH12      ARG  24 -13.577  -7.703  -6.440
  183   HH21  ARG  24          HH21      ARG  24 -10.694  -7.355  -4.462
  184   HH22  ARG  24          HH22      ARG  24 -11.824  -8.472  -5.181
  185    H    THR  25           H        THR  25  -7.045  -2.181  -5.540
  186    HA   THR  25           HA       THR  25  -7.696  -2.198  -2.788
  187    HB   THR  25           HB       THR  25  -5.093  -1.539  -4.220
  188   HG21  THR  25          HG21      THR  25  -4.034  -2.210  -2.077
  189   HG22  THR  25          HG22      THR  25  -5.011  -0.729  -1.933
  190   HG23  THR  25          HG23      THR  25  -5.644  -2.278  -1.317
  191    H    SER  26           H        SER  26  -6.577   0.491  -4.869
  192    HA   SER  26           HA       SER  26  -6.594   2.726  -4.631
  193    HB2  SER  26           HB2      SER  26  -8.996   1.978  -2.943
  194    HB3  SER  26           HB3      SER  26  -8.593   3.657  -3.373
  195    HG   SER  26           HG       SER  26  -9.097   1.500  -5.147
  196    HA   PRO  27           HA       PRO  27  -4.200   4.257  -1.272
  197    HB2  PRO  27           HB2      PRO  27  -4.970   6.908  -1.223
  198    HB3  PRO  27           HB3      PRO  27  -3.853   6.192  -2.423
  199    HG2  PRO  27           HG2      PRO  27  -6.779   6.829  -2.682
  200    HG3  PRO  27           HG3      PRO  27  -5.478   7.027  -3.900
  201    HD2  PRO  27           HD2      PRO  27  -7.255   4.942  -3.918
  202    HD3  PRO  27           HD3      PRO  27  -5.583   4.764  -4.499
  203    H    ASP  28           H        ASP  28  -7.705   4.634  -1.192
  204    HA   ASP  28           HA       ASP  28  -7.931   5.704   1.457
  205    HB2  ASP  28           HB2      ASP  28  -9.752   4.069  -0.341
  206    HB3  ASP  28           HB3      ASP  28 -10.281   4.819   1.179
  207    H    THR  29           H        THR  29  -8.178   2.312   0.179
  208    HA   THR  29           HA       THR  29  -8.733   1.188   2.754
  209    HB   THR  29           HB       THR  29  -7.417  -0.127   0.360
  210   HG21  THR  29          HG21      THR  29  -9.149  -1.233   2.611
  211   HG22  THR  29          HG22      THR  29  -8.561  -2.163   1.214
  212   HG23  THR  29          HG23      THR  29  -7.402  -1.504   2.386
  213    H    LEU  30           H        LEU  30  -5.782   1.690   0.795
  214    HA   LEU  30           HA       LEU  30  -3.972   0.357   2.535
  215    HB2  LEU  30           HB2      LEU  30  -3.597   2.753   0.696
  216    HB3  LEU  30           HB3      LEU  30  -2.278   1.820   1.415
  217    HG   LEU  30           HG       LEU  30  -4.399   0.524  -0.333
  218   HD11  LEU  30          HD11      LEU  30  -3.297   2.299  -1.601
  219   HD12  LEU  30          HD12      LEU  30  -1.693   1.697  -1.117
  220   HD13  LEU  30          HD13      LEU  30  -2.744   0.714  -2.173
  221   HD21  LEU  30          HD21      LEU  30  -3.093  -1.005   1.085
  222   HD22  LEU  30          HD22      LEU  30  -2.629  -1.190  -0.618
  223   HD23  LEU  30          HD23      LEU  30  -1.577  -0.275   0.492
  224    H    ARG  31           H        ARG  31  -5.469   3.599   2.663
  225    HA   ARG  31           HA       ARG  31  -3.564   4.763   4.393
  226    HB2  ARG  31           HB2      ARG  31  -5.712   5.723   3.081
  227    HB3  ARG  31           HB3      ARG  31  -6.514   5.416   4.617
  228    HG2  ARG  31           HG2      ARG  31  -4.184   7.271   4.041
  229    HG3  ARG  31           HG3      ARG  31  -5.797   7.695   4.635
  230    HD2  ARG  31           HD2      ARG  31  -5.272   6.441   6.754
  231    HD3  ARG  31           HD3      ARG  31  -3.627   6.195   6.137
  232    HE   ARG  31           HE       ARG  31  -3.146   8.477   6.434
  233   HH11  ARG  31          HH11      ARG  31  -6.522   7.770   7.246
  234   HH12  ARG  31          HH12      ARG  31  -6.765   9.292   8.063
  235   HH21  ARG  31          HH21      ARG  31  -3.490  10.454   7.521
  236   HH22  ARG  31          HH22      ARG  31  -5.046  10.795   8.232
  237    H    ARG  32           H        ARG  32  -6.714   3.231   5.165
  238    HA   ARG  32           HA       ARG  32  -6.091   3.322   8.024
  239    HB2  ARG  32           HB2      ARG  32  -8.339   2.352   8.289
  240    HB3  ARG  32           HB3      ARG  32  -8.369   3.696   7.142
  241    HG2  ARG  32           HG2      ARG  32  -7.897   1.604   5.432
  242    HG3  ARG  32           HG3      ARG  32  -8.868   0.799   6.686
  243    HD2  ARG  32           HD2      ARG  32 -10.550   2.667   6.440
  244    HD3  ARG  32           HD3      ARG  32  -9.526   3.334   5.147
  245    HE   ARG  32           HE       ARG  32 -10.359   0.545   4.767
  246   HH11  ARG  32          HH11      ARG  32 -11.109   3.942   4.151
  247   HH12  ARG  32          HH12      ARG  32 -12.117   3.597   2.767
  248   HH21  ARG  32          HH21      ARG  32 -11.673   0.119   2.933
  249   HH22  ARG  32          HH22      ARG  32 -12.429   1.438   2.078
  250    H    VAL  33           H        VAL  33  -5.322   1.157   5.526
  251    HA   VAL  33           HA       VAL  33  -5.100  -1.218   7.260
  252    HB   VAL  33           HB       VAL  33  -4.503  -0.520   4.388
  253   HG11  VAL  33          HG11      VAL  33  -3.675  -3.094   5.794
  254   HG12  VAL  33          HG12      VAL  33  -3.729  -2.856   4.033
  255   HG13  VAL  33          HG13      VAL  33  -2.599  -1.910   5.009
  256   HG21  VAL  33          HG21      VAL  33  -6.804  -1.160   5.188
  257   HG22  VAL  33          HG22      VAL  33  -6.131  -2.332   4.025
  258   HG23  VAL  33          HG23      VAL  33  -6.140  -2.698   5.772
  259    H    PHE  34           H        PHE  34  -3.200   1.590   6.571
  260    HA   PHE  34           HA       PHE  34  -0.758   0.177   7.599
  261    HB2  PHE  34           HB2      PHE  34  -1.197   2.174   5.381
  262    HB3  PHE  34           HB3      PHE  34   0.321   2.189   6.250
  263    HD1  PHE  34           HD1      PHE  34   1.701   0.125   6.440
  264    HD2  PHE  34           HD2      PHE  34  -1.548   0.529   3.677
  265    HE1  PHE  34           HE1      PHE  34   2.619  -1.774   5.099
  266    HE2  PHE  34           HE2      PHE  34  -0.638  -1.330   2.314
  267    HZ   PHE  34           HZ       PHE  34   1.435  -2.521   3.059
  268    H    GLU  35           H        GLU  35  -2.636   3.260   7.594
  269    HA   GLU  35           HA       GLU  35  -0.806   4.451   9.359
  270    HB2  GLU  35           HB2      GLU  35  -2.306   6.273   9.517
  271    HB3  GLU  35           HB3      GLU  35  -2.645   5.553   7.945
  272    HG2  GLU  35           HG2      GLU  35  -4.766   5.953   8.791
  273    HG3  GLU  35           HG3      GLU  35  -4.501   4.243   9.181
  274    H    LYS  36           H        LYS  36  -3.126   1.988   9.778
  275    HA   LYS  36           HA       LYS  36  -4.121   2.464  12.356
  276    HB2  LYS  36           HB2      LYS  36  -4.676   0.087  12.328
  277    HB3  LYS  36           HB3      LYS  36  -4.993   0.808  10.738
  278    HG2  LYS  36           HG2      LYS  36  -2.676  -0.047  10.037
  279    HG3  LYS  36           HG3      LYS  36  -2.659  -0.966  11.557
  280    HD2  LYS  36           HD2      LYS  36  -4.567  -1.256   9.213
  281    HD3  LYS  36           HD3      LYS  36  -3.398  -2.443   9.824
  282    HE2  LYS  36           HE2      LYS  36  -4.719  -2.438  12.000
  283    HE3  LYS  36           HE3      LYS  36  -5.946  -1.468  11.138
  284    HZ1  LYS  36           HZ1      LYS  36  -6.187  -3.246   9.573
  285    HZ2  LYS  36           HZ2      LYS  36  -5.030  -4.144  10.333
  286    HZ3  LYS  36           HZ3      LYS  36  -6.455  -3.817  11.089
  287    H    TYR  37           H        TYR  37  -1.048   1.064  11.250
  288    HA   TYR  37           HA       TYR  37  -0.363   0.043  13.837
  289    HB2  TYR  37           HB2      TYR  37   1.316   0.680  11.383
  290    HB3  TYR  37           HB3      TYR  37   1.919  -0.192  12.795
  291    HD1  TYR  37           HD2      TYR  37   1.104  -2.439  13.352
  292    HD2  TYR  37           HD1      TYR  37  -0.192  -0.404   9.783
  293    HE1  TYR  37           HE2      TYR  37   0.255  -4.577  12.446
  294    HE2  TYR  37           HE1      TYR  37  -1.055  -2.519   8.879
  295    HH   TYR  37           HH       TYR  37  -1.356  -4.775   9.245
  296    H    GLY  38           H        GLY  38  -0.171   3.175  12.292
  297    HA2  GLY  38           HA2      GLY  38   0.512   4.458  14.758
  298    HA3  GLY  38           HA3      GLY  38   1.933   4.410  13.691
  299    H    ARG  39           H        ARG  39   1.417   5.140  11.315
  300    HA   ARG  39           HA       ARG  39  -0.858   6.819  10.847
  301    HB2  ARG  39           HB2      ARG  39   0.905   8.138  12.423
  302    HB3  ARG  39           HB3      ARG  39   1.728   8.372  10.880
  303    HG2  ARG  39           HG2      ARG  39   0.302  10.278  11.409
  304    HG3  ARG  39           HG3      ARG  39  -0.297   9.469   9.953
  305    HD2  ARG  39           HD2      ARG  39  -2.044   8.354  11.228
  306    HD3  ARG  39           HD3      ARG  39  -1.334   8.915  12.752
  307    HE   ARG  39           HE       ARG  39  -1.816  11.278  11.556
  308   HH11  ARG  39          HH11      ARG  39  -3.927   8.428  11.748
  309   HH12  ARG  39          HH12      ARG  39  -5.383   9.390  11.749
  310   HH21  ARG  39          HH21      ARG  39  -3.745  12.476  11.572
  311   HH22  ARG  39          HH22      ARG  39  -5.287  11.660  11.621
  312    H    VAL  40           H        VAL  40  -0.611   8.026   8.782
  313    HA   VAL  40           HA       VAL  40   1.431   6.846   6.962
  314    HB   VAL  40           HB       VAL  40  -1.575   7.074   6.563
  315   HG11  VAL  40          HG11      VAL  40  -0.566   7.970   4.514
  316   HG12  VAL  40          HG12      VAL  40   0.593   6.609   4.486
  317   HG13  VAL  40          HG13      VAL  40  -1.139   6.310   4.232
  318   HG21  VAL  40          HG21      VAL  40   0.257   4.783   5.837
  319   HG22  VAL  40          HG22      VAL  40  -0.361   4.950   7.488
  320   HG23  VAL  40          HG23      VAL  40  -1.494   4.757   6.104
  321    H    GLY  41           H        GLY  41   2.699   8.596   6.907
  322    HA2  GLY  41           HA2      GLY  41   1.887  11.306   6.818
  323    HA3  GLY  41           HA3      GLY  41   3.444  10.658   6.239
  324    H    ASP  42           H        ASP  42   2.055   8.859   4.258
  325    HA   ASP  42           HA       ASP  42   0.807  10.704   2.330
  326    HB2  ASP  42           HB2      ASP  42   3.578   9.484   2.054
  327    HB3  ASP  42           HB3      ASP  42   2.617   9.915   0.640
  328    H    VAL  43           H        VAL  43  -0.441   9.551   0.854
  329    HA   VAL  43           HA       VAL  43   0.075   6.700   0.446
  330    HB   VAL  43           HB       VAL  43  -1.537   7.266   2.526
  331   HG11  VAL  43          HG11      VAL  43  -3.487   6.928   0.240
  332   HG12  VAL  43          HG12      VAL  43  -3.875   6.899   1.967
  333   HG13  VAL  43          HG13      VAL  43  -3.283   8.406   1.233
  334   HG21  VAL  43          HG21      VAL  43  -0.790   5.105   2.152
  335   HG22  VAL  43          HG22      VAL  43  -2.545   5.025   2.221
  336   HG23  VAL  43          HG23      VAL  43  -1.738   4.940   0.630
  337    H    TYR  44           H        TYR  44   0.129   6.622  -1.731
  338    HA   TYR  44           HA       TYR  44  -2.226   7.593  -3.187
  339    HB2  TYR  44           HB2      TYR  44  -1.250   9.196  -4.500
  340    HB3  TYR  44           HB3      TYR  44  -0.522   9.548  -2.947
  341    HD1  TYR  44           HD2      TYR  44   1.896   8.999  -2.561
  342    HD2  TYR  44           HD1      TYR  44  -0.014   8.322  -6.349
  343    HE1  TYR  44           HE2      TYR  44   4.122   8.886  -3.654
  344    HE2  TYR  44           HE1      TYR  44   2.199   8.165  -7.452
  345    HH   TYR  44           HH       TYR  44   4.477   8.316  -7.179
  346    H    ILE  45           H        ILE  45  -2.036   7.073  -5.573
  347    HA   ILE  45           HA       ILE  45  -0.389   4.614  -5.969
  348    HB   ILE  45           HB       ILE  45  -3.291   5.157  -6.671
  349   HG12  ILE  45          HG12      ILE  45  -3.682   2.947  -5.718
  350   HG13  ILE  45          HG13      ILE  45  -1.962   2.759  -5.344
  351   HG21  ILE  45          HG21      ILE  45  -1.448   2.946  -7.700
  352   HG22  ILE  45          HG22      ILE  45  -3.197   3.070  -8.008
  353   HG23  ILE  45          HG23      ILE  45  -2.086   4.280  -8.679
  354   HD11  ILE  45          HD11      ILE  45  -3.574   5.046  -4.197
  355   HD12  ILE  45          HD12      ILE  45  -3.574   3.423  -3.456
  356   HD13  ILE  45          HD13      ILE  45  -2.062   4.328  -3.591
  357    HA   PRO  46           HA       PRO  46   0.980   7.215  -9.435
  358    HB2  PRO  46           HB2      PRO  46   3.089   5.670 -10.160
  359    HB3  PRO  46           HB3      PRO  46   3.115   6.731  -8.723
  360    HG2  PRO  46           HG2      PRO  46   2.516   3.763  -8.828
  361    HG3  PRO  46           HG3      PRO  46   3.626   4.641  -7.697
  362    HD2  PRO  46           HD2      PRO  46   1.089   3.913  -7.051
  363    HD3  PRO  46           HD3      PRO  46   1.830   5.429  -6.437
  364    H    ARG  47           H        ARG  47  -1.347   5.991  -9.942
  365    HA   ARG  47           HA       ARG  47  -1.220   3.707 -11.647
  366    HB2  ARG  47           HB2      ARG  47  -3.521   3.932 -11.930
  367    HB3  ARG  47           HB3      ARG  47  -3.239   4.595 -10.327
  368    HG2  ARG  47           HG2      ARG  47  -3.356   6.900 -11.288
  369    HG3  ARG  47           HG3      ARG  47  -3.592   6.174 -12.906
  370    HD2  ARG  47           HD2      ARG  47  -5.595   4.928 -11.902
  371    HD3  ARG  47           HD3      ARG  47  -5.458   6.023 -10.521
  372    HE   ARG  47           HE       ARG  47  -6.243   7.785 -11.854
  373   HH11  ARG  47          HH11      ARG  47  -5.596   4.928 -13.864
  374   HH12  ARG  47          HH12      ARG  47  -6.387   5.600 -15.263
  375   HH21  ARG  47          HH21      ARG  47  -7.274   8.616 -13.714
  376   HH22  ARG  47          HH22      ARG  47  -7.329   7.674 -15.184
  377    H    ASP  48           H        ASP  48  -2.506   3.953 -13.883
  378    HA   ASP  48           HA       ASP  48  -0.645   5.003 -15.746
  379    HB2  ASP  48           HB2      ASP  48  -2.470   3.107 -15.852
  380    HB3  ASP  48           HB3      ASP  48  -3.526   4.415 -16.406
  381    H    ARG  49           H        ARG  49  -1.803   6.330 -17.721
  382    HA   ARG  49           HA       ARG  49  -3.118   8.710 -16.611
  383    HB2  ARG  49           HB2      ARG  49  -1.525  10.267 -17.436
  384    HB3  ARG  49           HB3      ARG  49  -0.691   9.107 -16.400
  385    HG2  ARG  49           HG2      ARG  49  -0.681   9.110 -19.445
  386    HG3  ARG  49           HG3      ARG  49   0.612   9.728 -18.412
  387    HD2  ARG  49           HD2      ARG  49  -0.337   6.851 -18.502
  388    HD3  ARG  49           HD3      ARG  49   1.149   7.494 -19.241
  389    HE   ARG  49           HE       ARG  49   1.216   8.177 -16.507
  390   HH11  ARG  49          HH11      ARG  49   1.243   5.253 -18.497
  391   HH12  ARG  49          HH12      ARG  49   2.225   4.351 -17.368
  392   HH21  ARG  49          HH21      ARG  49   2.501   6.974 -15.054
  393   HH22  ARG  49          HH22      ARG  49   2.920   5.317 -15.412
  394    H    TYR  50           H        TYR  50  -3.300   6.377 -18.856
  395    HA   TYR  50           HA       TYR  50  -5.021   8.077 -20.512
  396    HB2  TYR  50           HB2      TYR  50  -4.089   7.021 -22.593
  397    HB3  TYR  50           HB3      TYR  50  -3.033   8.185 -21.782
  398    HD1  TYR  50           HD1      TYR  50  -3.509   4.595 -22.576
  399    HD2  TYR  50           HD2      TYR  50  -0.960   7.567 -20.805
  400    HE1  TYR  50           HE1      TYR  50  -1.655   2.954 -22.496
  401    HE2  TYR  50           HE2      TYR  50   0.891   5.929 -20.672
  402    HH   TYR  50           HH       TYR  50   0.505   2.553 -21.856
  403    H    THR  51           H        THR  51  -5.032   5.713 -18.452
  404    HA   THR  51           HA       THR  51  -7.127   4.223 -19.925
  405    HB   THR  51           HB       THR  51  -6.347   2.084 -19.089
  406   HG21  THR  51          HG21      THR  51  -4.021   3.509 -20.435
  407   HG22  THR  51          HG22      THR  51  -4.363   1.764 -20.447
  408   HG23  THR  51          HG23      THR  51  -5.458   2.887 -21.287
  409    H    LYS  52           H        LYS  52  -8.200   2.645 -18.220
  410    HA   LYS  52           HA       LYS  52  -8.946   4.346 -15.902
  411    HB2  LYS  52           HB2      LYS  52 -10.360   2.116 -17.418
  412    HB3  LYS  52           HB3      LYS  52 -10.930   2.737 -15.870
  413    HG2  LYS  52           HG2      LYS  52 -12.169   3.828 -17.588
  414    HG3  LYS  52           HG3      LYS  52 -11.102   5.026 -16.834
  415    HD2  LYS  52           HD2      LYS  52  -9.592   4.948 -18.746
  416    HD3  LYS  52           HD3      LYS  52 -10.512   3.598 -19.462
  417    HE2  LYS  52           HE2      LYS  52 -12.506   5.066 -19.595
  418    HE3  LYS  52           HE3      LYS  52 -11.567   6.398 -18.903
  419    HZ1  LYS  52           HZ1      LYS  52 -10.987   5.043 -21.452
  420    HZ2  LYS  52           HZ2      LYS  52 -11.661   6.530 -21.288
  421    HZ3  LYS  52           HZ3      LYS  52 -10.111   6.280 -20.808
  422    H    GLU  53           H        GLU  53  -6.503   2.592 -16.057
  423    HA   GLU  53           HA       GLU  53  -7.079   0.955 -13.650
  424    HB2  GLU  53           HB2      GLU  53  -5.783  -0.908 -14.557
  425    HB3  GLU  53           HB3      GLU  53  -7.198  -0.567 -15.561
  426    HG2  GLU  53           HG2      GLU  53  -5.800   0.676 -17.160
  427    HG3  GLU  53           HG3      GLU  53  -4.368   0.374 -16.168
  428    H    SER  54           H        SER  54  -4.446  -0.130 -13.441
  429    HA   SER  54           HA       SER  54  -2.807   2.314 -13.011
  430    HB2  SER  54           HB2      SER  54  -4.136   1.863 -10.972
  431    HB3  SER  54           HB3      SER  54  -3.487   0.212 -10.922
  432    HG   SER  54           HG       SER  54  -2.321   1.671  -9.585
  433    H    ARG  55           H        ARG  55  -0.593   1.749 -12.249
  434    HA   ARG  55           HA       ARG  55   0.671  -0.062 -14.092
  435    HB2  ARG  55           HB2      ARG  55   1.642   1.403 -11.615
  436    HB3  ARG  55           HB3      ARG  55   2.709   0.543 -12.738
  437    HG2  ARG  55           HG2      ARG  55   0.918   2.892 -13.517
  438    HG3  ARG  55           HG3      ARG  55   2.617   3.019 -13.054
  439    HD2  ARG  55           HD2      ARG  55   2.809   2.975 -15.332
  440    HD3  ARG  55           HD3      ARG  55   3.054   1.273 -14.941
  441    HE   ARG  55           HE       ARG  55   0.449   2.424 -15.904
  442   HH11  ARG  55          HH11      ARG  55   2.800  -0.228 -15.865
  443   HH12  ARG  55          HH12      ARG  55   1.907  -1.168 -17.044
  444   HH21  ARG  55          HH21      ARG  55  -0.608   1.231 -17.494
  445   HH22  ARG  55          HH22      ARG  55  -0.042  -0.366 -17.925
  446    H    GLY  56           H        GLY  56  -0.690  -0.521 -10.915
  447    HA2  GLY  56           HA2      GLY  56  -1.135  -2.802 -10.264
  448    HA3  GLY  56           HA3      GLY  56   0.417  -3.291 -10.953
  449    H    PHE  57           H        PHE  57   0.643  -0.307  -9.198
  450    HA   PHE  57           HA       PHE  57   1.206  -1.583  -6.594
  451    HB2  PHE  57           HB2      PHE  57   3.457  -1.010  -6.511
  452    HB3  PHE  57           HB3      PHE  57   3.264  -1.790  -8.074
  453    HD1  PHE  57           HD1      PHE  57   2.912  -0.129 -10.142
  454    HD2  PHE  57           HD2      PHE  57   4.495   1.033  -6.320
  455    HE1  PHE  57           HE1      PHE  57   3.922   1.894 -11.166
  456    HE2  PHE  57           HE2      PHE  57   5.500   3.051  -7.340
  457    HZ   PHE  57           HZ       PHE  57   5.177   3.510  -9.755
  458    H    ALA  58           H        ALA  58   1.565  -0.051  -4.922
  459    HA   ALA  58           HA       ALA  58   0.317   2.593  -5.491
  460    HB1  ALA  58           HB1      ALA  58   0.419   0.878  -2.971
  461    HB2  ALA  58           HB2      ALA  58  -0.288   2.501  -3.058
  462    HB3  ALA  58           HB3      ALA  58  -1.008   1.194  -3.995
  463    H    PHE  59           H        PHE  59   1.049   3.744  -3.053
  464    HA   PHE  59           HA       PHE  59   3.911   3.608  -2.583
  465    HB2  PHE  59           HB2      PHE  59   3.247   5.013  -4.833
  466    HB3  PHE  59           HB3      PHE  59   2.935   6.260  -3.652
  467    HD1  PHE  59           HD2      PHE  59   5.249   5.774  -1.700
  468    HD2  PHE  59           HD1      PHE  59   5.065   5.669  -6.010
  469    HE1  PHE  59           HE2      PHE  59   7.646   6.330  -1.829
  470    HE2  PHE  59           HE1      PHE  59   7.472   6.190  -6.126
  471    HZ   PHE  59           HZ       PHE  59   8.769   6.547  -4.028
  472    H    VAL  60           H        VAL  60   2.403   2.945  -0.732
  473    HA   VAL  60           HA       VAL  60   1.591   5.411   0.667
  474    HB   VAL  60           HB       VAL  60   0.948   4.332   2.418
  475   HG11  VAL  60          HG11      VAL  60   0.844   2.005   0.472
  476   HG12  VAL  60          HG12      VAL  60  -0.078   2.160   1.995
  477   HG13  VAL  60          HG13      VAL  60  -0.318   3.314   0.663
  478   HG21  VAL  60          HG21      VAL  60   2.909   3.670   3.400
  479   HG22  VAL  60          HG22      VAL  60   1.842   2.278   3.440
  480   HG23  VAL  60          HG23      VAL  60   3.180   2.346   2.247
  481    H    ARG  61           H        ARG  61   2.855   6.651   2.051
  482    HA   ARG  61           HA       ARG  61   5.622   5.711   2.552
  483    HB2  ARG  61           HB2      ARG  61   6.183   7.066   0.805
  484    HB3  ARG  61           HB3      ARG  61   4.813   8.178   1.033
  485    HG2  ARG  61           HG2      ARG  61   5.889   9.110   3.045
  486    HG3  ARG  61           HG3      ARG  61   7.213   7.923   2.896
  487    HD2  ARG  61           HD2      ARG  61   7.678   8.913   0.606
  488    HD3  ARG  61           HD3      ARG  61   6.557  10.225   1.033
  489    HE   ARG  61           HE       ARG  61   9.244   9.684   2.138
  490   HH11  ARG  61          HH11      ARG  61   6.253  11.583   2.496
  491   HH12  ARG  61          HH12      ARG  61   7.033  12.790   3.479
  492   HH21  ARG  61          HH21      ARG  61  10.183  11.243   3.433
  493   HH22  ARG  61          HH22      ARG  61   9.255  12.617   3.998
  494    H    PHE  62           H        PHE  62   6.488   6.079   4.264
  495    HA   PHE  62           HA       PHE  62   4.726   7.290   6.381
  496    HB2  PHE  62           HB2      PHE  62   6.697   5.012   6.436
  497    HB3  PHE  62           HB3      PHE  62   6.254   5.891   7.894
  498    HD1  PHE  62           HD1      PHE  62   3.933   5.026   5.045
  499    HD2  PHE  62           HD2      PHE  62   5.108   4.330   9.134
  500    HE1  PHE  62           HE1      PHE  62   1.863   3.777   5.403
  501    HE2  PHE  62           HE2      PHE  62   3.068   2.979   9.478
  502    HZ   PHE  62           HZ       PHE  62   1.454   2.689   7.667
  503    H    HIS  63           H        HIS  63   5.430   8.811   7.647
  504    HA   HIS  63           HA       HIS  63   7.824  10.332   6.941
  505    HB2  HIS  63           HB2      HIS  63   6.785  11.899   8.638
  506    HB3  HIS  63           HB3      HIS  63   5.715  11.477   7.295
  507    HD2  HIS  63           HD2      HIS  63   3.414  11.812   8.661
  508    HE1  HIS  63           HE1      HIS  63   4.027   8.721  11.513
  509    HE2  HIS  63           HE2      HIS  63   2.343  10.407  10.579
  510    H    ASP  64           H        ASP  64   7.194   7.727   9.012
  511    HA   ASP  64           HA       ASP  64   9.545   8.354  10.674
  512    HB2  ASP  64           HB2      ASP  64   7.542   9.228  11.869
  513    HB3  ASP  64           HB3      ASP  64   6.848   7.603  11.884
  514    H    LYS  65           H        LYS  65  10.803   6.652  10.401
  515    HA   LYS  65           HA       LYS  65  10.081   4.217   9.255
  516    HB2  LYS  65           HB2      LYS  65  12.304   3.481   9.848
  517    HB3  LYS  65           HB3      LYS  65  12.325   5.183   9.360
  518    HG2  LYS  65           HG2      LYS  65  12.133   5.696  11.919
  519    HG3  LYS  65           HG3      LYS  65  12.604   4.001  12.139
  520    HD2  LYS  65           HD2      LYS  65  14.160   6.158  10.653
  521    HD3  LYS  65           HD3      LYS  65  14.573   5.467  12.232
  522    HE2  LYS  65           HE2      LYS  65  14.919   3.262  11.196
  523    HE3  LYS  65           HE3      LYS  65  14.430   3.909   9.620
  524    HZ1  LYS  65           HZ1      LYS  65  16.753   4.829  11.176
  525    HZ2  LYS  65           HZ2      LYS  65  16.820   3.834   9.868
  526    HZ3  LYS  65           HZ3      LYS  65  16.306   5.378   9.689
  527    H    ARG  66           H        ARG  66   9.821   5.170  12.662
  528    HA   ARG  66           HA       ARG  66   9.863   2.502  13.737
  529    HB2  ARG  66           HB2      ARG  66   8.538   5.057  14.733
  530    HB3  ARG  66           HB3      ARG  66   8.736   3.584  15.693
  531    HG2  ARG  66           HG2      ARG  66  11.010   5.238  14.497
  532    HG3  ARG  66           HG3      ARG  66  10.483   5.286  16.188
  533    HD2  ARG  66           HD2      ARG  66  11.571   2.820  14.764
  534    HD3  ARG  66           HD3      ARG  66  12.484   3.857  15.860
  535    HE   ARG  66           HE       ARG  66  10.610   3.246  17.560
  536   HH11  ARG  66          HH11      ARG  66  11.821   1.035  15.057
  537   HH12  ARG  66          HH12      ARG  66  11.497  -0.385  16.016
  538   HH21  ARG  66          HH21      ARG  66  10.186   1.364  18.753
  539   HH22  ARG  66          HH22      ARG  66  10.558  -0.205  18.084
  540    H    ASP  67           H        ASP  67   7.169   4.677  12.771
  541    HA   ASP  67           HA       ASP  67   5.136   2.704  13.299
  542    HB2  ASP  67           HB2      ASP  67   5.118   5.140  11.458
  543    HB3  ASP  67           HB3      ASP  67   3.703   4.215  11.943
  544    H    ALA  68           H        ALA  68   7.337   3.337  10.607
  545    HA   ALA  68           HA       ALA  68   5.822   1.767   8.693
  546    HB1  ALA  68           HB1      ALA  68   7.892   2.059   7.343
  547    HB2  ALA  68           HB2      ALA  68   7.311   3.608   8.011
  548    HB3  ALA  68           HB3      ALA  68   8.701   2.780   8.748
  549    H    GLU  69           H        GLU  69   8.467   1.180  11.022
  550    HA   GLU  69           HA       GLU  69   9.393  -1.309  10.027
  551    HB2  GLU  69           HB2      GLU  69   9.354   0.086  12.711
  552    HB3  GLU  69           HB3      GLU  69   9.760  -1.629  12.643
  553    HG2  GLU  69           HG2      GLU  69  11.549  -1.128  10.984
  554    HG3  GLU  69           HG3      GLU  69  11.160   0.586  11.055
  555    H    ASP  70           H        ASP  70   6.827  -0.575  12.483
  556    HA   ASP  70           HA       ASP  70   6.340  -3.402  12.845
  557    HB2  ASP  70           HB2      ASP  70   4.564  -1.041  13.559
  558    HB3  ASP  70           HB3      ASP  70   4.453  -2.701  14.169
  559    H    ALA  71           H        ALA  71   4.695  -0.801  10.968
  560    HA   ALA  71           HA       ALA  71   2.501  -2.363  10.122
  561    HB1  ALA  71           HB1      ALA  71   2.257  -0.693   8.347
  562    HB2  ALA  71           HB2      ALA  71   2.680   0.109   9.862
  563    HB3  ALA  71           HB3      ALA  71   3.928  -0.123   8.618
  564    H    MET  72           H        MET  72   5.722  -1.855   8.585
  565    HA   MET  72           HA       MET  72   5.229  -3.493   6.298
  566    HB2  MET  72           HB2      MET  72   7.026  -1.884   6.348
  567    HB3  MET  72           HB3      MET  72   7.722  -2.605   7.807
  568    HG2  MET  72           HG2      MET  72   8.528  -4.491   6.690
  569    HG3  MET  72           HG3      MET  72   7.508  -4.221   5.272
  570    HE1  MET  72           HE1      MET  72  10.228  -2.411   7.476
  571    HE2  MET  72           HE2      MET  72  10.899  -1.229   6.318
  572    HE3  MET  72           HE3      MET  72   9.217  -1.076   6.856
  573    H    ASP  73           H        ASP  73   6.654  -4.213   9.515
  574    HA   ASP  73           HA       ASP  73   7.242  -6.940   8.916
  575    HB2  ASP  73           HB2      ASP  73   8.275  -5.620  10.742
  576    HB3  ASP  73           HB3      ASP  73   6.718  -5.558  11.578
  577    H    ALA  74           H        ALA  74   4.256  -5.378   9.179
  578    HA   ALA  74           HA       ALA  74   2.890  -7.931   9.858
  579    HB1  ALA  74           HB1      ALA  74   2.161  -5.096  10.677
  580    HB2  ALA  74           HB2      ALA  74   1.199  -6.549  11.042
  581    HB3  ALA  74           HB3      ALA  74   2.823  -6.347  11.744
  582    H    MET  75           H        MET  75   3.542  -6.024   7.294
  583    HA   MET  75           HA       MET  75   0.837  -6.467   6.121
  584    HB2  MET  75           HB2      MET  75   2.499  -3.939   6.059
  585    HB3  MET  75           HB3      MET  75   1.275  -4.289   4.841
  586    HG2  MET  75           HG2      MET  75   0.789  -4.107   7.837
  587    HG3  MET  75           HG3      MET  75   0.370  -2.884   6.632
  588    HE1  MET  75           HE1      MET  75  -2.237  -4.911   4.431
  589    HE2  MET  75           HE2      MET  75  -1.087  -3.544   4.474
  590    HE3  MET  75           HE3      MET  75  -0.491  -5.211   4.290
  591    H    ASP  76           H        ASP  76   4.366  -6.591   5.682
  592    HA   ASP  76           HA       ASP  76   4.268  -6.748   2.831
  593    HB2  ASP  76           HB2      ASP  76   6.363  -6.391   4.040
  594    HB3  ASP  76           HB3      ASP  76   6.206  -7.976   4.817
  595    H    GLY  77           H        GLY  77   3.357  -8.236   1.578
  596    HA2  GLY  77           HA2      GLY  77   2.510 -10.185   0.805
  597    HA3  GLY  77           HA3      GLY  77   3.530 -11.054   1.978
  598    H    ALA  78           H        ALA  78   1.144  -8.637   2.944
  599    HA   ALA  78           HA       ALA  78  -0.140 -10.633   4.657
  600    HB1  ALA  78           HB1      ALA  78  -1.263  -8.666   5.648
  601    HB2  ALA  78           HB2      ALA  78   0.492  -8.437   5.548
  602    HB3  ALA  78           HB3      ALA  78  -0.578  -7.633   4.371
  603    H    VAL  79           H        VAL  79  -0.604  -9.864   1.518
  604    HA   VAL  79           HA       VAL  79  -2.429  -9.705   0.109
  605    HB   VAL  79           HB       VAL  79  -1.710 -11.950  -0.009
  606   HG11  VAL  79          HG11      VAL  79  -3.404 -12.555   2.437
  607   HG12  VAL  79          HG12      VAL  79  -2.574 -13.751   1.417
  608   HG13  VAL  79          HG13      VAL  79  -1.621 -12.559   2.319
  609   HG21  VAL  79          HG21      VAL  79  -3.674 -11.407  -1.186
  610   HG22  VAL  79          HG22      VAL  79  -3.579 -13.122  -0.730
  611   HG23  VAL  79          HG23      VAL  79  -4.695 -12.046   0.141
  612    H    LEU  80           H        LEU  80  -3.401  -7.872   1.292
  613    HA   LEU  80           HA       LEU  80  -5.777  -8.412   2.855
  614    HB2  LEU  80           HB2      LEU  80  -6.162  -6.005   2.751
  615    HB3  LEU  80           HB3      LEU  80  -4.505  -6.401   3.203
  616    HG   LEU  80           HG       LEU  80  -3.826  -5.961   0.806
  617   HD11  LEU  80          HD11      LEU  80  -5.342  -4.379  -0.450
  618   HD12  LEU  80          HD12      LEU  80  -5.957  -6.036  -0.379
  619   HD13  LEU  80          HD13      LEU  80  -6.640  -4.779   0.693
  620   HD21  LEU  80          HD21      LEU  80  -3.418  -4.370   2.595
  621   HD22  LEU  80          HD22      LEU  80  -3.868  -3.502   1.117
  622   HD23  LEU  80          HD23      LEU  80  -5.066  -3.706   2.418
  623    H    ASP  81           H        ASP  81  -5.290  -8.916  -0.437
  624    HA   ASP  81           HA       ASP  81  -8.228  -8.702  -0.853
  625    HB2  ASP  81           HB2      ASP  81  -7.270  -6.719  -1.911
  626    HB3  ASP  81           HB3      ASP  81  -6.100  -7.726  -2.778
  627    H    GLY  82           H        GLY  82  -5.114 -10.063  -2.019
  628    HA2  GLY  82           HA2      GLY  82  -5.325 -12.624  -1.981
  629    HA3  GLY  82           HA3      GLY  82  -6.606 -12.374  -3.203
  630    H    ARG  83           H        ARG  83  -3.643 -10.468  -2.909
  631    HA   ARG  83           HA       ARG  83  -2.456 -11.804  -5.296
  632    HB2  ARG  83           HB2      ARG  83  -1.871  -9.405  -6.049
  633    HB3  ARG  83           HB3      ARG  83  -3.556  -9.920  -6.266
  634    HG2  ARG  83           HG2      ARG  83  -4.328  -8.654  -4.433
  635    HG3  ARG  83           HG3      ARG  83  -2.715  -8.570  -3.689
  636    HD2  ARG  83           HD2      ARG  83  -1.940  -7.095  -5.454
  637    HD3  ARG  83           HD3      ARG  83  -3.524  -7.185  -6.256
  638    HE   ARG  83           HE       ARG  83  -4.373  -5.681  -4.689
  639   HH11  ARG  83          HH11      ARG  83  -1.323  -7.024  -3.508
  640   HH12  ARG  83          HH12      ARG  83  -1.261  -5.954  -2.124
  641   HH21  ARG  83          HH21      ARG  83  -4.255  -4.296  -2.900
  642   HH22  ARG  83          HH22      ARG  83  -2.905  -4.385  -1.794
  643    H    GLU  84           H        GLU  84  -2.062 -10.037  -2.303
  644    HA   GLU  84           HA       GLU  84  -0.492 -10.557  -0.732
  645    HB2  GLU  84           HB2      GLU  84   0.452 -12.289  -2.703
  646    HB3  GLU  84           HB3      GLU  84   1.838 -11.234  -2.341
  647    HG2  GLU  84           HG2      GLU  84   1.280 -11.684   0.144
  648    HG3  GLU  84           HG3      GLU  84   0.151 -12.903  -0.427
  649    H    LEU  85           H        LEU  85  -0.566  -8.484  -0.174
  650    HA   LEU  85           HA       LEU  85   0.438  -6.202  -1.362
  651    HB2  LEU  85           HB2      LEU  85  -0.841  -6.894   0.918
  652    HB3  LEU  85           HB3      LEU  85   0.752  -6.628   1.596
  653    HG   LEU  85           HG       LEU  85  -0.718  -4.703   1.842
  654   HD11  LEU  85          HD11      LEU  85   1.354  -3.908  -0.228
  655   HD12  LEU  85          HD12      LEU  85   0.686  -2.953   1.097
  656   HD13  LEU  85          HD13      LEU  85   1.765  -4.326   1.463
  657   HD21  LEU  85          HD21      LEU  85  -1.538  -3.404  -0.007
  658   HD22  LEU  85          HD22      LEU  85  -0.716  -4.445  -1.185
  659   HD23  LEU  85          HD23      LEU  85  -2.077  -5.086  -0.210
  660    H    ARG  86           H        ARG  86   2.367  -4.916  -0.955
  661    HA   ARG  86           HA       ARG  86   4.782  -6.470  -0.150
  662    HB2  ARG  86           HB2      ARG  86   4.359  -4.752  -2.626
  663    HB3  ARG  86           HB3      ARG  86   5.957  -5.274  -2.052
  664    HG2  ARG  86           HG2      ARG  86   3.676  -7.102  -2.909
  665    HG3  ARG  86           HG3      ARG  86   5.118  -6.697  -3.865
  666    HD2  ARG  86           HD2      ARG  86   6.554  -7.634  -2.048
  667    HD3  ARG  86           HD3      ARG  86   5.103  -8.115  -1.158
  668    HE   ARG  86           HE       ARG  86   5.890  -9.212  -3.831
  669   HH11  ARG  86          HH11      ARG  86   4.198  -9.542  -0.738
  670   HH12  ARG  86          HH12      ARG  86   3.885 -11.251  -0.980
  671   HH21  ARG  86          HH21      ARG  86   5.395 -11.428  -4.118
  672   HH22  ARG  86          HH22      ARG  86   4.492 -12.279  -2.880
  673    H    VAL  87           H        VAL  87   6.143  -5.340   1.167
  674    HA   VAL  87           HA       VAL  87   5.772  -2.397   1.320
  675    HB   VAL  87           HB       VAL  87   5.915  -4.199   3.761
  676   HG11  VAL  87          HG11      VAL  87   5.394  -1.237   3.298
  677   HG12  VAL  87          HG12      VAL  87   5.119  -2.058   4.847
  678   HG13  VAL  87          HG13      VAL  87   6.758  -1.997   4.143
  679   HG21  VAL  87          HG21      VAL  87   3.795  -4.700   2.730
  680   HG22  VAL  87          HG22      VAL  87   3.520  -3.620   4.111
  681   HG23  VAL  87          HG23      VAL  87   3.455  -2.987   2.448
  682    H    GLN  88           H        GLN  88   7.573  -1.256   1.785
  683    HA   GLN  88           HA       GLN  88  10.095  -2.363   2.639
  684    HB2  GLN  88           HB2      GLN  88  11.207  -2.029   0.388
  685    HB3  GLN  88           HB3      GLN  88  10.148  -3.449   0.491
  686    HG2  GLN  88           HG2      GLN  88   8.328  -2.222  -0.620
  687    HG3  GLN  88           HG3      GLN  88   9.331  -0.767  -0.696
  688   HE21  GLN  88          HE22      GLN  88   8.183  -1.853  -2.999
  689   HE22  GLN  88          HE21      GLN  88   9.438  -2.557  -3.996
  690    H    MET  89           H        MET  89  11.637  -0.732   2.958
  691    HA   MET  89           HA       MET  89  10.828   1.923   3.283
  692    HB2  MET  89           HB2      MET  89  13.538   0.633   2.845
  693    HB3  MET  89           HB3      MET  89  13.346   2.354   3.265
  694    HG2  MET  89           HG2      MET  89  11.961   0.177   4.851
  695    HG3  MET  89           HG3      MET  89  13.632   0.624   5.194
  696    HE1  MET  89           HE1      MET  89  12.125   0.781   7.625
  697    HE2  MET  89           HE2      MET  89  11.044   2.155   7.956
  698    HE3  MET  89           HE3      MET  89  10.529   0.883   6.830
  699    H    ALA  90           H        ALA  90  10.945   3.757   2.067
  700    HA   ALA  90           HA       ALA  90  10.805   3.433  -0.830
  701    HB1  ALA  90           HB1      ALA  90   9.205   4.839   0.421
  702    HB2  ALA  90           HB2      ALA  90  10.537   5.886   0.949
  703    HB3  ALA  90           HB3      ALA  90  10.102   5.785  -0.777
  704    H    ARG  91           H        ARG  91  13.430   3.662   1.151
  705    HA   ARG  91           HA       ARG  91  15.588   4.281   0.882
  706    HB2  ARG  91           HB2      ARG  91  15.213   3.083  -1.270
  707    HB3  ARG  91           HB3      ARG  91  14.899   4.639  -2.057
  708    HG2  ARG  91           HG2      ARG  91  17.395   4.748  -0.558
  709    HG3  ARG  91           HG3      ARG  91  17.391   3.361  -1.667
  710    HD2  ARG  91           HD2      ARG  91  16.805   4.779  -3.543
  711    HD3  ARG  91           HD3      ARG  91  16.660   6.200  -2.502
  712    HE   ARG  91           HE       ARG  91  19.123   4.979  -3.508
  713   HH11  ARG  91          HH11      ARG  91  17.716   7.060  -1.013
  714   HH12  ARG  91          HH12      ARG  91  19.216   7.899  -0.706
  715   HH21  ARG  91          HH21      ARG  91  21.062   6.091  -3.080
  716   HH22  ARG  91          HH22      ARG  91  21.105   7.346  -1.862
  717    H    TYR  92           H        TYR  92  13.440   6.349   1.406
  718    HA   TYR  92           HA       TYR  92  15.147   8.710   0.781
  719    HB2  TYR  92           HB2      TYR  92  12.122   8.692   0.970
  720    HB3  TYR  92           HB3      TYR  92  13.160  10.035   0.489
  721    HD1  TYR  92           HD1      TYR  92  14.930   9.038  -1.538
  722    HD2  TYR  92           HD2      TYR  92  10.837   7.960  -0.771
  723    HE1  TYR  92           HE1      TYR  92  14.676   8.339  -3.904
  724    HE2  TYR  92           HE2      TYR  92  10.597   7.195  -3.126
  725    HH   TYR  92           HH       TYR  92  13.270   7.472  -5.494
  726    H    GLY  93           H        GLY  93  14.445  10.597   2.316
  727    HA2  GLY  93           HA2      GLY  93  13.345  10.031   4.888
  728    HA3  GLY  93           HA3      GLY  93  15.113   9.887   4.956
  729    H    ARG  94           H        ARG  94  14.442  11.768   6.543
  730    HA   ARG  94           HA       ARG  94  14.979  14.323   5.161
  731    HB2  ARG  94           HB2      ARG  94  12.661  13.750   7.061
  732    HB3  ARG  94           HB3      ARG  94  13.206  15.376   6.673
  733    HG2  ARG  94           HG2      ARG  94  12.141  13.369   4.640
  734    HG3  ARG  94           HG3      ARG  94  11.240  14.720   5.344
  735    HD2  ARG  94           HD2      ARG  94  12.966  16.295   4.433
  736    HD3  ARG  94           HD3      ARG  94  13.734  14.937   3.605
  737    HE   ARG  94           HE       ARG  94  11.179  16.239   2.941
  738   HH11  ARG  94          HH11      ARG  94  13.311  13.467   2.364
  739   HH12  ARG  94          HH12      ARG  94  12.583  13.096   0.816
  740   HH21  ARG  94          HH21      ARG  94  10.265  15.716   0.927
  741   HH22  ARG  94          HH22      ARG  94  10.870  14.353   0.008
  742    HA   PRO  95           HA       PRO  95  17.709  15.205   8.503
  743    HB2  PRO  95           HB2      PRO  95  16.060  17.707   8.883
  744    HB3  PRO  95           HB3      PRO  95  17.847  17.543   8.809
  745    HG2  PRO  95           HG2      PRO  95  16.472  18.411   6.643
  746    HG3  PRO  95           HG3      PRO  95  17.798  17.215   6.450
  747    HD2  PRO  95           HD2      PRO  95  14.815  16.728   6.473
  748    HD3  PRO  95           HD3      PRO  95  16.080  16.006   5.435
  749    HA   PRO  96           HA       PRO  96  15.657  14.055  12.258
  750    HB2  PRO  96           HB2      PRO  96  17.452  14.814  14.167
  751    HB3  PRO  96           HB3      PRO  96  17.800  13.501  12.988
  752    HG2  PRO  96           HG2      PRO  96  18.614  16.414  12.837
  753    HG3  PRO  96           HG3      PRO  96  19.658  14.963  12.615
  754    HD2  PRO  96           HD2      PRO  96  18.579  16.313  10.500
  755    HD3  PRO  96           HD3      PRO  96  18.734  14.530  10.484
  756    H    ASP  97           H        ASP  97  14.905  14.963  14.417
  757    HA   ASP  97           HA       ASP  97  13.554  17.463  14.021
  758    HB2  ASP  97           HB2      ASP  97  12.713  17.080  16.276
  759    HB3  ASP  97           HB3      ASP  97  12.605  15.607  15.308
  760    H    SER  98           H        SER  98  13.573  19.096  15.956
  761    HA   SER  98           HA       SER  98  16.244  19.618  17.056
  762    HB2  SER  98           HB2      SER  98  16.252  20.563  14.728
  763    HB3  SER  98           HB3      SER  98  14.868  21.581  15.182
  764    HG   SER  98           HG       SER  98  17.495  21.606  16.256
  765    H    HIS  99           H        HIS  99  16.137  21.664  18.433
  766    HA   HIS  99           HA       HIS  99  13.479  22.490  19.345
  767    HB2  HIS  99           HB2      HIS  99  13.800  21.731  21.638
  768    HB3  HIS  99           HB3      HIS  99  13.800  20.353  20.535
  769    HD2  HIS  99           HD2      HIS  99  16.064  18.948  20.277
  770    HE1  HIS  99           HE1      HIS  99  18.329  20.987  23.244
  771    HE2  HIS  99           HE2      HIS  99  18.258  18.955  21.712
  772    H    HIS 100           H        HIS 100  13.819  23.961  21.392
  773    HA   HIS 100           HA       HIS 100  16.435  25.306  21.428
  774    HB2  HIS 100           HB2      HIS 100  15.478  27.493  20.926
  775    HB3  HIS 100           HB3      HIS 100  15.183  26.385  19.582
  776    HD2  HIS 100           HD2      HIS 100  13.395  28.673  21.979
  777    HE1  HIS 100           HE1      HIS 100  10.317  26.450  20.059
  778    HE2  HIS 100           HE2      HIS 100  10.821  28.444  21.565
  779    H    SER 101           H        SER 101  14.083  23.888  23.127
  780    HA   SER 101           HA       SER 101  14.590  25.498  25.552
  781    HB2  SER 101           HB2      SER 101  11.810  24.866  24.479
  782    HB3  SER 101           HB3      SER 101  12.159  25.463  26.113
  783    HG   SER 101           HG       SER 101  12.799  26.782  23.686
  Start of MODEL    4
    1    H    MET   1           H1       MET   1  13.191 -16.869  -5.814
    2    HA   MET   1           HA       MET   1  12.305 -15.006  -4.613
    3    HB2  MET   1           HB2      MET   1  10.207 -16.698  -6.028
    4    HB3  MET   1           HB3      MET   1  10.042 -14.980  -5.635
    5    HG2  MET   1           HG2      MET   1  12.172 -16.189  -7.435
    6    HG3  MET   1           HG3      MET   1  10.739 -15.293  -7.962
    7    HE1  MET   1           HE1      MET   1  13.687 -14.661  -8.929
    8    HE2  MET   1           HE2      MET   1  12.246 -13.759  -9.459
    9    HE3  MET   1           HE3      MET   1  13.681 -12.887  -8.868
   10    H    SER   2           H        SER   2  10.578 -14.173  -3.250
   11    HA   SER   2           HA       SER   2   9.118 -16.055  -1.543
   12    HB2  SER   2           HB2      SER   2  10.095 -15.219   0.541
   13    HB3  SER   2           HB3      SER   2  11.354 -15.951  -0.473
   14    HG   SER   2           HG       SER   2  12.013 -13.943   0.367
   15    H    TYR   3           H        TYR   3   7.917 -14.688   0.227
   16    HA   TYR   3           HA       TYR   3   6.345 -12.720  -1.113
   17    HB2  TYR   3           HB2      TYR   3   5.340 -12.399   1.125
   18    HB3  TYR   3           HB3      TYR   3   5.455 -14.100   0.669
   19    HD1  TYR   3           HD1      TYR   3   7.015 -11.450   2.793
   20    HD2  TYR   3           HD2      TYR   3   6.672 -15.663   1.982
   21    HE1  TYR   3           HE1      TYR   3   8.199 -11.951   4.912
   22    HE2  TYR   3           HE2      TYR   3   7.847 -16.170   4.104
   23    HH   TYR   3           HH       TYR   3   9.002 -13.586   6.304
   24    H    GLY   4           H        GLY   4   9.358 -12.506   0.618
   25    HA2  GLY   4           HA2      GLY   4  10.426 -10.222   0.091
   26    HA3  GLY   4           HA3      GLY   4   9.061  -9.569   1.011
   27    H    ARG   5           H        ARG   5  11.178  -8.791   2.193
   28    HA   ARG   5           HA       ARG   5  11.424 -10.481   4.592
   29    HB2  ARG   5           HB2      ARG   5  13.755  -9.557   2.849
   30    HB3  ARG   5           HB3      ARG   5  13.956 -10.021   4.540
   31    HG2  ARG   5           HG2      ARG   5  12.897 -11.851   2.341
   32    HG3  ARG   5           HG3      ARG   5  14.537 -11.863   3.005
   33    HD2  ARG   5           HD2      ARG   5  13.608 -12.317   5.269
   34    HD3  ARG   5           HD3      ARG   5  11.991 -12.452   4.570
   35    HE   ARG   5           HE       ARG   5  14.255 -14.329   4.235
   36   HH11  ARG   5          HH11      ARG   5  10.932 -13.480   3.333
   37   HH12  ARG   5          HH12      ARG   5  10.535 -15.106   2.843
   38   HH21  ARG   5          HH21      ARG   5  13.715 -16.419   3.543
   39   HH22  ARG   5          HH22      ARG   5  12.120 -16.751   2.912
   40    HA   PRO   6           HA       PRO   6  11.347  -6.676   6.868
   41    HB2  PRO   6           HB2      PRO   6  13.850  -7.798   8.143
   42    HB3  PRO   6           HB3      PRO   6  12.428  -7.054   8.945
   43    HG2  PRO   6           HG2      PRO   6  12.698  -9.742   8.888
   44    HG3  PRO   6           HG3      PRO   6  11.100  -8.992   8.557
   45    HD2  PRO   6           HD2      PRO   6  13.098 -10.105   6.573
   46    HD3  PRO   6           HD3      PRO   6  11.313 -10.227   6.595
   47    HA   PRO   7           HA       PRO   7  14.279  -3.926   5.021
   48    HB2  PRO   7           HB2      PRO   7  14.567  -1.933   6.886
   49    HB3  PRO   7           HB3      PRO   7  13.049  -2.201   5.963
   50    HG2  PRO   7           HG2      PRO   7  13.750  -3.197   8.741
   51    HG3  PRO   7           HG3      PRO   7  12.272  -2.318   8.233
   52    HD2  PRO   7           HD2      PRO   7  12.320  -5.029   8.434
   53    HD3  PRO   7           HD3      PRO   7  11.445  -4.241   7.084
   54    HA   PRO   8           HA       PRO   8  18.320  -4.827   6.614
   55    HB2  PRO   8           HB2      PRO   8  19.895  -3.066   5.337
   56    HB3  PRO   8           HB3      PRO   8  18.817  -4.133   4.404
   57    HG2  PRO   8           HG2      PRO   8  18.263  -1.274   5.246
   58    HG3  PRO   8           HG3      PRO   8  18.156  -1.975   3.597
   59    HD2  PRO   8           HD2      PRO   8  16.017  -1.758   5.312
   60    HD3  PRO   8           HD3      PRO   8  16.156  -3.087   4.098
   61    H    ASP   9           H        ASP   9  20.187  -2.399   6.893
   62    HA   ASP   9           HA       ASP   9  19.728  -2.106   9.761
   63    HB2  ASP   9           HB2      ASP   9  21.881  -0.937   7.961
   64    HB3  ASP   9           HB3      ASP   9  21.894  -0.962   9.731
   65    H    VAL  10           H        VAL  10  18.737  -0.402   7.013
   66    HA   VAL  10           HA       VAL  10  17.976   1.660   6.551
   67    HB   VAL  10           HB       VAL  10  16.175   2.420   8.009
   68   HG11  VAL  10          HG11      VAL  10  16.303  -0.608   7.771
   69   HG12  VAL  10          HG12      VAL  10  14.833   0.375   7.939
   70   HG13  VAL  10          HG13      VAL  10  15.828   0.523   6.478
   71   HG21  VAL  10          HG21      VAL  10  17.299   1.991  10.213
   72   HG22  VAL  10          HG22      VAL  10  15.649   1.338  10.113
   73   HG23  VAL  10          HG23      VAL  10  17.039   0.249   9.955
   74    H    GLU  11           H        GLU  11  20.646   1.778   7.824
   75    HA   GLU  11           HA       GLU  11  20.721   4.028   9.593
   76    HB2  GLU  11           HB2      GLU  11  22.824   2.705   7.832
   77    HB3  GLU  11           HB3      GLU  11  23.175   3.991   9.005
   78    HG2  GLU  11           HG2      GLU  11  22.214   2.565  10.812
   79    HG3  GLU  11           HG3      GLU  11  21.984   1.265   9.630
   80    H    GLY  12           H        GLY  12  19.594   4.136   6.532
   81    HA2  GLY  12           HA2      GLY  12  20.405   6.937   6.184
   82    HA3  GLY  12           HA3      GLY  12  20.919   5.822   4.909
   83    H    MET  13           H        MET  13  17.911   5.118   6.559
   84    HA   MET  13           HA       MET  13  16.286   6.430   4.451
   85    HB2  MET  13           HB2      MET  13  16.181   3.469   5.129
   86    HB3  MET  13           HB3      MET  13  15.086   4.328   4.023
   87    HG2  MET  13           HG2      MET  13  17.030   4.896   2.583
   88    HG3  MET  13           HG3      MET  13  18.085   3.960   3.649
   89    HE1  MET  13           HE1      MET  13  18.005   1.352   3.954
   90    HE2  MET  13           HE2      MET  13  16.287   1.439   4.398
   91    HE3  MET  13           HE3      MET  13  16.824   0.289   3.147
   92    H    THR  14           H        THR  14  14.091   6.661   5.039
   93    HA   THR  14           HA       THR  14  13.251   5.683   7.688
   94    HB   THR  14           HB       THR  14  13.191   8.636   6.929
   95   HG21  THR  14          HG21      THR  14  11.190   7.941   8.256
   96   HG22  THR  14          HG22      THR  14  12.263   7.240   9.481
   97   HG23  THR  14          HG23      THR  14  12.273   8.991   9.185
   98    H    SER  15           H        SER  15  12.481   7.225   4.566
   99    HA   SER  15           HA       SER  15   9.602   7.116   4.894
  100    HB2  SER  15           HB2      SER  15  11.392   7.220   2.432
  101    HB3  SER  15           HB3      SER  15   9.623   7.397   2.419
  102    HG   SER  15           HG       SER  15  11.434   9.063   3.841
  103    H    LEU  16           H        LEU  16   8.180   5.657   4.437
  104    HA   LEU  16           HA       LEU  16   9.125   2.946   3.599
  105    HB2  LEU  16           HB2      LEU  16   7.685   3.268   5.671
  106    HB3  LEU  16           HB3      LEU  16   6.382   3.821   4.597
  107    HG   LEU  16           HG       LEU  16   6.494   1.596   3.410
  108   HD11  LEU  16          HD11      LEU  16   8.829   0.992   4.125
  109   HD12  LEU  16          HD12      LEU  16   8.245   0.827   5.791
  110   HD13  LEU  16          HD13      LEU  16   7.642  -0.261   4.522
  111   HD21  LEU  16          HD21      LEU  16   4.794   2.055   5.092
  112   HD22  LEU  16          HD22      LEU  16   5.327   0.366   5.206
  113   HD23  LEU  16          HD23      LEU  16   5.907   1.560   6.392
  114    H    LYS  17           H        LYS  17   7.873   1.857   1.948
  115    HA   LYS  17           HA       LYS  17   6.189   3.429   0.087
  116    HB2  LYS  17           HB2      LYS  17   8.203   3.697  -1.025
  117    HB3  LYS  17           HB3      LYS  17   8.840   2.138  -0.447
  118    HG2  LYS  17           HG2      LYS  17   8.495   2.003  -2.786
  119    HG3  LYS  17           HG3      LYS  17   7.314   0.948  -1.972
  120    HD2  LYS  17           HD2      LYS  17   5.629   2.810  -2.225
  121    HD3  LYS  17           HD3      LYS  17   6.840   3.703  -3.188
  122    HE2  LYS  17           HE2      LYS  17   5.608   1.023  -3.843
  123    HE3  LYS  17           HE3      LYS  17   5.289   2.554  -4.664
  124    HZ1  LYS  17           HZ1      LYS  17   7.909   1.215  -4.580
  125    HZ2  LYS  17           HZ2      LYS  17   6.863   1.146  -5.832
  126    HZ3  LYS  17           HZ3      LYS  17   7.547   2.594  -5.417
  127    H    VAL  18           H        VAL  18   4.498   2.210  -0.563
  128    HA   VAL  18           HA       VAL  18   4.622  -0.768  -0.138
  129    HB   VAL  18           HB       VAL  18   2.533   1.283   0.539
  130   HG11  VAL  18          HG11      VAL  18   2.055  -1.696   0.089
  131   HG12  VAL  18          HG12      VAL  18   0.905  -0.587   0.894
  132   HG13  VAL  18          HG13      VAL  18   1.309  -0.372  -0.817
  133   HG21  VAL  18          HG21      VAL  18   4.185   0.556   2.239
  134   HG22  VAL  18          HG22      VAL  18   2.533   0.067   2.683
  135   HG23  VAL  18          HG23      VAL  18   3.673  -1.123   1.994
  136    H    ASP  19           H        ASP  19   3.707  -2.026  -1.601
  137    HA   ASP  19           HA       ASP  19   2.943  -0.907  -4.255
  138    HB2  ASP  19           HB2      ASP  19   4.968  -3.079  -3.570
  139    HB3  ASP  19           HB3      ASP  19   4.437  -2.659  -5.206
  140    H    ASN  20           H        ASN  20   2.474  -2.877  -5.706
  141    HA   ASN  20           HA       ASN  20   1.239  -4.582  -6.371
  142    HB2  ASN  20           HB2      ASN  20   2.635  -5.797  -4.627
  143    HB3  ASN  20           HB3      ASN  20   1.176  -5.782  -3.638
  144   HD21  ASN  20          HD22      ASN  20   1.036  -8.118  -3.833
  145   HD22  ASN  20          HD21      ASN  20   0.482  -8.875  -5.310
  146    H    LEU  21           H        LEU  21  -0.682  -4.087  -7.053
  147    HA   LEU  21           HA       LEU  21  -2.942  -3.807  -5.127
  148    HB2  LEU  21           HB2      LEU  21  -2.528  -2.129  -7.616
  149    HB3  LEU  21           HB3      LEU  21  -3.790  -1.921  -6.389
  150    HG   LEU  21           HG       LEU  21  -0.804  -1.461  -6.025
  151   HD11  LEU  21          HD11      LEU  21  -3.175   0.450  -6.231
  152   HD12  LEU  21          HD12      LEU  21  -1.470   0.909  -6.005
  153   HD13  LEU  21          HD13      LEU  21  -1.990   0.143  -7.520
  154   HD21  LEU  21          HD21      LEU  21  -1.205  -0.738  -3.857
  155   HD22  LEU  21          HD22      LEU  21  -2.973  -0.567  -4.116
  156   HD23  LEU  21          HD23      LEU  21  -2.225  -2.176  -3.949
  157    H    THR  22           H        THR  22  -5.062  -3.939  -6.298
  158    HA   THR  22           HA       THR  22  -4.892  -5.793  -8.630
  159    HB   THR  22           HB       THR  22  -5.630  -6.855  -6.491
  160   HG21  THR  22          HG21      THR  22  -8.087  -5.076  -6.800
  161   HG22  THR  22          HG22      THR  22  -7.872  -6.393  -5.640
  162   HG23  THR  22          HG23      THR  22  -6.864  -4.937  -5.513
  163    H    TYR  23           H        TYR  23  -5.249  -2.738  -8.286
  164    HA   TYR  23           HA       TYR  23  -6.140  -1.153  -9.641
  165    HB2  TYR  23           HB2      TYR  23  -6.788  -1.853 -11.592
  166    HB3  TYR  23           HB3      TYR  23  -6.994  -3.487 -10.997
  167    HD1  TYR  23           HD2      TYR  23  -9.341  -3.895  -9.691
  168    HD2  TYR  23           HD1      TYR  23  -8.572  -0.759 -12.534
  169    HE1  TYR  23           HE2      TYR  23 -11.767  -3.734 -10.164
  170    HE2  TYR  23           HE1      TYR  23 -11.001  -0.566 -12.984
  171    HH   TYR  23           HH       TYR  23 -13.095  -1.367 -12.509
  172    H    ARG  24           H        ARG  24  -7.650  -2.803  -7.239
  173    HA   ARG  24           HA       ARG  24  -9.684  -0.637  -6.892
  174    HB2  ARG  24           HB2      ARG  24 -10.670  -2.662  -7.898
  175    HB3  ARG  24           HB3      ARG  24 -10.094  -3.624  -6.536
  176    HG2  ARG  24           HG2      ARG  24 -11.605  -2.410  -5.011
  177    HG3  ARG  24           HG3      ARG  24 -12.026  -1.262  -6.309
  178    HD2  ARG  24           HD2      ARG  24 -13.002  -3.102  -7.622
  179    HD3  ARG  24           HD3      ARG  24 -12.569  -4.261  -6.349
  180    HE   ARG  24           HE       ARG  24 -14.101  -2.180  -5.172
  181   HH11  ARG  24          HH11      ARG  24 -14.497  -4.879  -7.414
  182   HH12  ARG  24          HH12      ARG  24 -16.197  -5.088  -7.045
  183   HH21  ARG  24          HH21      ARG  24 -16.321  -2.470  -4.715
  184   HH22  ARG  24          HH22      ARG  24 -17.218  -3.738  -5.519
  185    H    THR  25           H        THR  25  -6.975  -2.036  -5.582
  186    HA   THR  25           HA       THR  25  -7.691  -2.291  -2.828
  187    HB   THR  25           HB       THR  25  -5.071  -1.625  -4.216
  188   HG21  THR  25          HG21      THR  25  -4.915  -0.775  -1.940
  189   HG22  THR  25          HG22      THR  25  -5.641  -2.264  -1.294
  190   HG23  THR  25          HG23      THR  25  -4.026  -2.309  -2.043
  191    H    SER  26           H        SER  26  -6.668   0.497  -4.783
  192    HA   SER  26           HA       SER  26  -6.716   2.704  -4.506
  193    HB2  SER  26           HB2      SER  26  -9.013   1.978  -2.663
  194    HB3  SER  26           HB3      SER  26  -8.690   3.615  -3.260
  195    HG   SER  26           HG       SER  26 -10.167   2.459  -4.590
  196    HA   PRO  27           HA       PRO  27  -4.257   4.244  -1.166
  197    HB2  PRO  27           HB2      PRO  27  -4.985   6.891  -1.169
  198    HB3  PRO  27           HB3      PRO  27  -3.910   6.134  -2.382
  199    HG2  PRO  27           HG2      PRO  27  -6.847   6.791  -2.595
  200    HG3  PRO  27           HG3      PRO  27  -5.565   7.000  -3.827
  201    HD2  PRO  27           HD2      PRO  27  -7.326   4.900  -3.813
  202    HD3  PRO  27           HD3      PRO  27  -5.652   4.724  -4.406
  203    H    ASP  28           H        ASP  28  -7.767   4.689  -1.103
  204    HA   ASP  28           HA       ASP  28  -7.968   5.786   1.537
  205    HB2  ASP  28           HB2      ASP  28  -9.812   4.145  -0.226
  206    HB3  ASP  28           HB3      ASP  28 -10.328   4.894   1.301
  207    H    THR  29           H        THR  29  -8.216   2.404   0.282
  208    HA   THR  29           HA       THR  29  -8.803   1.268   2.861
  209    HB   THR  29           HB       THR  29  -7.460  -0.064   0.489
  210   HG21  THR  29          HG21      THR  29  -8.655  -2.076   1.341
  211   HG22  THR  29          HG22      THR  29  -7.534  -1.405   2.550
  212   HG23  THR  29          HG23      THR  29  -9.288  -1.119   2.696
  213    H    LEU  30           H        LEU  30  -5.841   1.750   0.899
  214    HA   LEU  30           HA       LEU  30  -4.034   0.422   2.650
  215    HB2  LEU  30           HB2      LEU  30  -3.648   2.796   0.778
  216    HB3  LEU  30           HB3      LEU  30  -2.333   1.859   1.499
  217    HG   LEU  30           HG       LEU  30  -4.469   0.582  -0.246
  218   HD11  LEU  30          HD11      LEU  30  -1.739   1.702  -1.005
  219   HD12  LEU  30          HD12      LEU  30  -2.818   0.768  -2.079
  220   HD13  LEU  30          HD13      LEU  30  -3.325   2.359  -1.485
  221   HD21  LEU  30          HD21      LEU  30  -2.718  -1.156  -0.511
  222   HD22  LEU  30          HD22      LEU  30  -1.655  -0.242   0.586
  223   HD23  LEU  30          HD23      LEU  30  -3.179  -0.944   1.192
  224    H    ARG  31           H        ARG  31  -5.513   3.677   2.750
  225    HA   ARG  31           HA       ARG  31  -3.613   4.853   4.467
  226    HB2  ARG  31           HB2      ARG  31  -5.748   5.819   3.175
  227    HB3  ARG  31           HB3      ARG  31  -6.565   5.502   4.707
  228    HG2  ARG  31           HG2      ARG  31  -4.229   7.350   4.141
  229    HG3  ARG  31           HG3      ARG  31  -5.836   7.776   4.733
  230    HD2  ARG  31           HD2      ARG  31  -5.289   6.492   6.852
  231    HD3  ARG  31           HD3      ARG  31  -3.651   6.270   6.219
  232    HE   ARG  31           HE       ARG  31  -3.182   8.554   6.530
  233   HH11  ARG  31          HH11      ARG  31  -6.534   7.823   7.389
  234   HH12  ARG  31          HH12      ARG  31  -6.775   9.355   8.199
  235   HH21  ARG  31          HH21      ARG  31  -3.526  10.535   7.604
  236   HH22  ARG  31          HH22      ARG  31  -5.079  10.877   8.319
  237    H    ARG  32           H        ARG  32  -6.768   3.328   5.277
  238    HA   ARG  32           HA       ARG  32  -6.111   3.417   8.133
  239    HB2  ARG  32           HB2      ARG  32  -8.372   2.487   8.410
  240    HB3  ARG  32           HB3      ARG  32  -8.380   3.842   7.270
  241    HG2  ARG  32           HG2      ARG  32  -7.967   1.772   5.529
  242    HG3  ARG  32           HG3      ARG  32  -8.899   0.937   6.786
  243    HD2  ARG  32           HD2      ARG  32  -9.650   3.524   5.361
  244    HD3  ARG  32           HD3      ARG  32 -10.317   1.925   5.001
  245    HE   ARG  32           HE       ARG  32 -10.777   2.326   7.729
  246   HH11  ARG  32          HH11      ARG  32 -11.682   3.923   4.707
  247   HH12  ARG  32          HH12      ARG  32 -13.201   4.515   5.332
  248   HH21  ARG  32          HH21      ARG  32 -12.757   3.145   8.538
  249   HH22  ARG  32          HH22      ARG  32 -13.799   4.092   7.504
  250    H    VAL  33           H        VAL  33  -5.271   1.290   5.665
  251    HA   VAL  33           HA       VAL  33  -5.150  -1.102   7.405
  252    HB   VAL  33           HB       VAL  33  -4.548  -0.427   4.533
  253   HG11  VAL  33          HG11      VAL  33  -3.754  -2.993   5.963
  254   HG12  VAL  33          HG12      VAL  33  -3.794  -2.784   4.195
  255   HG13  VAL  33          HG13      VAL  33  -2.657  -1.839   5.166
  256   HG21  VAL  33          HG21      VAL  33  -6.860  -1.059   5.315
  257   HG22  VAL  33          HG22      VAL  33  -6.186  -2.231   4.162
  258   HG23  VAL  33          HG23      VAL  33  -6.209  -2.595   5.915
  259    H    PHE  34           H        PHE  34  -3.214   1.668   6.648
  260    HA   PHE  34           HA       PHE  34  -0.780   0.252   7.675
  261    HB2  PHE  34           HB2      PHE  34  -1.219   2.243   5.444
  262    HB3  PHE  34           HB3      PHE  34   0.304   2.235   6.303
  263    HD1  PHE  34           HD1      PHE  34   1.654   0.163   6.475
  264    HD2  PHE  34           HD2      PHE  34  -1.635   0.582   3.765
  265    HE1  PHE  34           HE1      PHE  34   2.540  -1.739   5.116
  266    HE2  PHE  34           HE2      PHE  34  -0.762  -1.290   2.390
  267    HZ   PHE  34           HZ       PHE  34   1.327  -2.471   3.094
  268    H    GLU  35           H        GLU  35  -2.651   3.332   7.668
  269    HA   GLU  35           HA       GLU  35  -0.804   4.523   9.426
  270    HB2  GLU  35           HB2      GLU  35  -2.299   6.351   9.591
  271    HB3  GLU  35           HB3      GLU  35  -2.650   5.633   8.021
  272    HG2  GLU  35           HG2      GLU  35  -4.769   6.018   8.865
  273    HG3  GLU  35           HG3      GLU  35  -4.499   4.314   9.261
  274    H    LYS  36           H        LYS  36  -3.121   2.063   9.859
  275    HA   LYS  36           HA       LYS  36  -4.100   2.559  12.444
  276    HB2  LYS  36           HB2      LYS  36  -4.672   0.170  12.436
  277    HB3  LYS  36           HB3      LYS  36  -4.999   0.903  10.845
  278    HG2  LYS  36           HG2      LYS  36  -2.700   0.015  10.117
  279    HG3  LYS  36           HG3      LYS  36  -2.668  -0.880  11.650
  280    HD2  LYS  36           HD2      LYS  36  -4.608  -1.190   9.342
  281    HD3  LYS  36           HD3      LYS  36  -3.445  -2.384   9.961
  282    HE2  LYS  36           HE2      LYS  36  -4.750  -2.327  12.142
  283    HE3  LYS  36           HE3      LYS  36  -5.973  -1.359  11.287
  284    HZ1  LYS  36           HZ1      LYS  36  -5.098  -4.058  10.506
  285    HZ2  LYS  36           HZ2      LYS  36  -6.511  -3.693  11.263
  286    HZ3  LYS  36           HZ3      LYS  36  -6.235  -3.157   9.731
  287    H    TYR  37           H        TYR  37  -1.045   1.123  11.334
  288    HA   TYR  37           HA       TYR  37  -0.359   0.123  13.929
  289    HB2  TYR  37           HB2      TYR  37   1.315   0.722  11.465
  290    HB3  TYR  37           HB3      TYR  37   1.908  -0.149  12.888
  291    HD1  TYR  37           HD1      TYR  37   1.058  -2.389  13.445
  292    HD2  TYR  37           HD2      TYR  37  -0.175  -0.340   9.867
  293    HE1  TYR  37           HE1      TYR  37   0.154  -4.513  12.550
  294    HE2  TYR  37           HE2      TYR  37  -1.068  -2.453   8.956
  295    HH   TYR  37           HH       TYR  37  -0.932  -5.532  10.797
  296    H    GLY  38           H        GLY  38  -0.157   3.231  12.363
  297    HA2  GLY  38           HA2      GLY  38   0.551   4.525  14.819
  298    HA3  GLY  38           HA3      GLY  38   1.961   4.470  13.746
  299    H    ARG  39           H        ARG  39   1.447   5.189  11.374
  300    HA   ARG  39           HA       ARG  39  -0.819   6.887  10.899
  301    HB2  ARG  39           HB2      ARG  39   0.944   8.211  12.479
  302    HB3  ARG  39           HB3      ARG  39   1.780   8.426  10.934
  303    HG2  ARG  39           HG2      ARG  39   0.351  10.335  11.449
  304    HG3  ARG  39           HG3      ARG  39  -0.248   9.517   9.998
  305    HD2  ARG  39           HD2      ARG  39  -2.004   8.424  11.277
  306    HD3  ARG  39           HD3      ARG  39  -1.283   8.980  12.803
  307    HE   ARG  39           HE       ARG  39  -1.743  11.342  11.619
  308   HH11  ARG  39          HH11      ARG  39  -3.888   8.515  11.801
  309   HH12  ARG  39          HH12      ARG  39  -5.333   9.490  11.801
  310   HH21  ARG  39          HH21      ARG  39  -3.662  12.559  11.608
  311   HH22  ARG  39          HH22      ARG  39  -5.212  11.762  11.684
  312    H    VAL  40           H        VAL  40  -0.590   8.082   8.823
  313    HA   VAL  40           HA       VAL  40   1.437   6.888   7.010
  314    HB   VAL  40           HB       VAL  40  -1.566   7.134   6.613
  315   HG11  VAL  40          HG11      VAL  40   0.613   6.632   4.548
  316   HG12  VAL  40          HG12      VAL  40  -1.118   6.325   4.301
  317   HG13  VAL  40          HG13      VAL  40  -0.543   7.996   4.557
  318   HG21  VAL  40          HG21      VAL  40  -0.340   5.016   7.572
  319   HG22  VAL  40          HG22      VAL  40  -1.496   4.790   6.223
  320   HG23  VAL  40          HG23      VAL  40   0.243   4.817   5.906
  321    H    GLY  41           H        GLY  41   2.707   8.635   6.916
  322    HA2  GLY  41           HA2      GLY  41   1.903  11.351   6.851
  323    HA3  GLY  41           HA3      GLY  41   3.456  10.693   6.271
  324    H    ASP  42           H        ASP  42   2.038   8.898   4.278
  325    HA   ASP  42           HA       ASP  42   0.757  10.742   2.386
  326    HB2  ASP  42           HB2      ASP  42   3.550   9.592   2.077
  327    HB3  ASP  42           HB3      ASP  42   2.558   9.903   0.657
  328    H    VAL  43           H        VAL  43  -0.521   9.592   0.931
  329    HA   VAL  43           HA       VAL  43   0.021   6.747   0.507
  330    HB   VAL  43           HB       VAL  43  -1.571   7.285   2.609
  331   HG11  VAL  43          HG11      VAL  43  -3.548   6.963   0.337
  332   HG12  VAL  43          HG12      VAL  43  -3.915   6.937   2.068
  333   HG13  VAL  43          HG13      VAL  43  -3.328   8.437   1.333
  334   HG21  VAL  43          HG21      VAL  43  -2.567   5.046   2.306
  335   HG22  VAL  43          HG22      VAL  43  -1.789   4.963   0.702
  336   HG23  VAL  43          HG23      VAL  43  -0.823   5.126   2.208
  337    H    TYR  44           H        TYR  44   0.027   6.629  -1.657
  338    HA   TYR  44           HA       TYR  44  -2.317   7.620  -3.108
  339    HB2  TYR  44           HB2      TYR  44  -1.327   9.197  -4.449
  340    HB3  TYR  44           HB3      TYR  44  -0.637   9.565  -2.878
  341    HD1  TYR  44           HD2      TYR  44   1.777   8.997  -2.427
  342    HD2  TYR  44           HD1      TYR  44  -0.042   8.368  -6.265
  343    HE1  TYR  44           HE2      TYR  44   4.033   8.895  -3.478
  344    HE2  TYR  44           HE1      TYR  44   2.193   8.198  -7.315
  345    HH   TYR  44           HH       TYR  44   4.465   8.371  -6.996
  346    H    ILE  45           H        ILE  45  -2.110   7.117  -5.509
  347    HA   ILE  45           HA       ILE  45  -0.508   4.630  -5.875
  348    HB   ILE  45           HB       ILE  45  -3.392   5.223  -6.614
  349   HG12  ILE  45          HG12      ILE  45  -3.775   2.980  -5.742
  350   HG13  ILE  45          HG13      ILE  45  -2.046   2.789  -5.390
  351   HG21  ILE  45          HG21      ILE  45  -1.513   3.117  -7.778
  352   HG22  ILE  45          HG22      ILE  45  -3.283   3.155  -8.010
  353   HG23  ILE  45          HG23      ILE  45  -2.269   4.446  -8.671
  354   HD11  ILE  45          HD11      ILE  45  -3.652   5.024  -4.152
  355   HD12  ILE  45          HD12      ILE  45  -3.648   3.380  -3.462
  356   HD13  ILE  45          HD13      ILE  45  -2.130   4.277  -3.578
  357    HA   PRO  46           HA       PRO  46   0.985   7.170  -9.346
  358    HB2  PRO  46           HB2      PRO  46   3.141   5.617  -9.935
  359    HB3  PRO  46           HB3      PRO  46   3.101   6.717  -8.525
  360    HG2  PRO  46           HG2      PRO  46   2.518   3.744  -8.580
  361    HG3  PRO  46           HG3      PRO  46   3.600   4.653  -7.458
  362    HD2  PRO  46           HD2      PRO  46   1.041   3.959  -6.834
  363    HD3  PRO  46           HD3      PRO  46   1.780   5.495  -6.263
  364    H    ARG  47           H        ARG  47  -1.238   6.212 -10.074
  365    HA   ARG  47           HA       ARG  47  -1.499   3.844 -11.555
  366    HB2  ARG  47           HB2      ARG  47  -2.967   6.342 -11.086
  367    HB3  ARG  47           HB3      ARG  47  -3.176   5.747 -12.746
  368    HG2  ARG  47           HG2      ARG  47  -3.849   3.562 -11.951
  369    HG3  ARG  47           HG3      ARG  47  -3.688   4.097 -10.253
  370    HD2  ARG  47           HD2      ARG  47  -6.019   4.316 -10.913
  371    HD3  ARG  47           HD3      ARG  47  -5.304   5.942 -10.767
  372    HE   ARG  47           HE       ARG  47  -5.048   4.972 -13.460
  373   HH11  ARG  47          HH11      ARG  47  -7.529   6.203 -11.264
  374   HH12  ARG  47          HH12      ARG  47  -8.490   6.871 -12.565
  375   HH21  ARG  47          HH21      ARG  47  -6.265   5.846 -15.081
  376   HH22  ARG  47          HH22      ARG  47  -7.796   6.638 -14.750
  377    H    ASP  48           H        ASP  48  -2.497   4.252 -13.882
  378    HA   ASP  48           HA       ASP  48  -0.423   4.162 -15.727
  379    HB2  ASP  48           HB2      ASP  48  -2.186   3.969 -17.324
  380    HB3  ASP  48           HB3      ASP  48  -2.805   3.234 -15.840
  381    H    ARG  49           H        ARG  49  -0.862   5.507 -17.925
  382    HA   ARG  49           HA       ARG  49  -1.241   8.391 -17.380
  383    HB2  ARG  49           HB2      ARG  49   1.175   7.836 -17.190
  384    HB3  ARG  49           HB3      ARG  49   1.165   7.297 -18.877
  385    HG2  ARG  49           HG2      ARG  49   0.654   9.500 -19.673
  386    HG3  ARG  49           HG3      ARG  49   0.209  10.067 -18.047
  387    HD2  ARG  49           HD2      ARG  49   2.511   9.745 -17.286
  388    HD3  ARG  49           HD3      ARG  49   2.984   9.167 -18.902
  389    HE   ARG  49           HE       ARG  49   1.756  11.737 -19.133
  390   HH11  ARG  49          HH11      ARG  49   4.736  10.243 -17.948
  391   HH12  ARG  49          HH12      ARG  49   5.696  11.677 -18.196
  392   HH21  ARG  49          HH21      ARG  49   3.041  13.603 -19.457
  393   HH22  ARG  49          HH22      ARG  49   4.738  13.578 -19.047
  394    H    TYR  50           H        TYR  50  -2.111   5.687 -19.152
  395    HA   TYR  50           HA       TYR  50  -3.267   7.314 -21.273
  396    HB2  TYR  50           HB2      TYR  50  -2.203   6.032 -23.067
  397    HB3  TYR  50           HB3      TYR  50  -1.016   6.947 -22.135
  398    HD1  TYR  50           HD2      TYR  50   0.468   5.771 -20.490
  399    HD2  TYR  50           HD1      TYR  50  -2.072   3.652 -23.243
  400    HE1  TYR  50           HE2      TYR  50   1.795   3.710 -20.121
  401    HE2  TYR  50           HE1      TYR  50  -0.747   1.587 -22.879
  402    HH   TYR  50           HH       TYR  50   1.007   0.620 -21.765
  403    H    THR  51           H        THR  51  -4.027   5.220 -19.042
  404    HA   THR  51           HA       THR  51  -5.765   3.591 -20.807
  405    HB   THR  51           HB       THR  51  -5.273   1.569 -19.604
  406   HG21  THR  51          HG21      THR  51  -2.637   2.868 -20.394
  407   HG22  THR  51          HG22      THR  51  -3.004   1.129 -20.335
  408   HG23  THR  51          HG23      THR  51  -3.800   2.154 -21.544
  409    H    LYS  52           H        LYS  52  -6.939   2.025 -18.879
  410    HA   LYS  52           HA       LYS  52  -8.348   4.006 -17.153
  411    HB2  LYS  52           HB2      LYS  52  -9.464   1.513 -18.505
  412    HB3  LYS  52           HB3      LYS  52 -10.381   2.675 -17.552
  413    HG2  LYS  52           HG2      LYS  52  -9.007   3.180 -20.219
  414    HG3  LYS  52           HG3      LYS  52 -10.747   3.032 -19.943
  415    HD2  LYS  52           HD2      LYS  52  -8.938   5.198 -18.827
  416    HD3  LYS  52           HD3      LYS  52 -10.069   5.397 -20.170
  417    HE2  LYS  52           HE2      LYS  52 -10.856   4.679 -17.313
  418    HE3  LYS  52           HE3      LYS  52 -10.976   6.288 -18.042
  419    HZ1  LYS  52           HZ1      LYS  52 -13.067   5.135 -18.131
  420    HZ2  LYS  52           HZ2      LYS  52 -12.497   5.400 -19.649
  421    HZ3  LYS  52           HZ3      LYS  52 -12.412   3.897 -18.975
  422    H    GLU  53           H        GLU  53  -5.975   2.262 -16.560
  423    HA   GLU  53           HA       GLU  53  -7.089   0.822 -14.219
  424    HB2  GLU  53           HB2      GLU  53  -5.709  -1.135 -14.716
  425    HB3  GLU  53           HB3      GLU  53  -6.912  -0.847 -15.977
  426    HG2  GLU  53           HG2      GLU  53  -5.183   0.219 -17.396
  427    HG3  GLU  53           HG3      GLU  53  -3.966  -0.062 -16.136
  428    H    SER  54           H        SER  54  -4.437  -0.298 -13.581
  429    HA   SER  54           HA       SER  54  -2.893   2.209 -13.055
  430    HB2  SER  54           HB2      SER  54  -4.322   1.612 -11.085
  431    HB3  SER  54           HB3      SER  54  -3.517   0.026 -11.028
  432    HG   SER  54           HG       SER  54  -2.553   1.571  -9.636
  433    H    ARG  55           H        ARG  55  -0.692   1.663 -12.172
  434    HA   ARG  55           HA       ARG  55   0.630  -0.244 -13.920
  435    HB2  ARG  55           HB2      ARG  55   1.509   1.686 -11.768
  436    HB3  ARG  55           HB3      ARG  55   2.651   0.577 -12.600
  437    HG2  ARG  55           HG2      ARG  55   1.600   1.372 -14.783
  438    HG3  ARG  55           HG3      ARG  55   0.863   2.692 -13.855
  439    HD2  ARG  55           HD2      ARG  55   3.842   2.101 -13.803
  440    HD3  ARG  55           HD3      ARG  55   3.107   3.117 -15.064
  441    HE   ARG  55           HE       ARG  55   2.305   4.041 -12.475
  442   HH11  ARG  55          HH11      ARG  55   5.122   3.938 -14.605
  443   HH12  ARG  55          HH12      ARG  55   5.791   5.435 -14.005
  444   HH21  ARG  55          HH21      ARG  55   3.168   5.989 -11.730
  445   HH22  ARG  55          HH22      ARG  55   4.695   6.593 -12.353
  446    H    GLY  56           H        GLY  56  -1.037  -0.650 -11.039
  447    HA2  GLY  56           HA2      GLY  56  -1.357  -2.744 -10.042
  448    HA3  GLY  56           HA3      GLY  56   0.131  -3.344 -10.777
  449    H    PHE  57           H        PHE  57   0.461  -0.267  -9.152
  450    HA   PHE  57           HA       PHE  57   1.142  -1.491  -6.555
  451    HB2  PHE  57           HB2      PHE  57   3.386  -0.959  -6.562
  452    HB3  PHE  57           HB3      PHE  57   3.148  -1.689  -8.143
  453    HD1  PHE  57           HD1      PHE  57   2.700   0.116 -10.135
  454    HD2  PHE  57           HD2      PHE  57   4.489   1.017  -6.325
  455    HE1  PHE  57           HE1      PHE  57   3.791   2.115 -11.106
  456    HE2  PHE  57           HE2      PHE  57   5.571   3.022  -7.303
  457    HZ   PHE  57           HZ       PHE  57   5.202   3.582  -9.689
  458    H    ALA  58           H        ALA  58   1.470   0.005  -4.907
  459    HA   ALA  58           HA       ALA  58   0.232   2.659  -5.436
  460    HB1  ALA  58           HB1      ALA  58  -1.081   1.262  -3.930
  461    HB2  ALA  58           HB2      ALA  58   0.367   0.936  -2.931
  462    HB3  ALA  58           HB3      ALA  58  -0.343   2.565  -3.006
  463    H    PHE  59           H        PHE  59   0.982   3.794  -3.020
  464    HA   PHE  59           HA       PHE  59   3.836   3.617  -2.525
  465    HB2  PHE  59           HB2      PHE  59   3.216   5.032  -4.770
  466    HB3  PHE  59           HB3      PHE  59   2.894   6.283  -3.595
  467    HD1  PHE  59           HD2      PHE  59   5.181   5.758  -1.605
  468    HD2  PHE  59           HD1      PHE  59   5.058   5.651  -5.907
  469    HE1  PHE  59           HE2      PHE  59   7.586   6.313  -1.695
  470    HE2  PHE  59           HE1      PHE  59   7.459   6.185  -5.997
  471    HZ   PHE  59           HZ       PHE  59   8.741   6.528  -3.876
  472    H    VAL  60           H        VAL  60   2.324   2.960  -0.681
  473    HA   VAL  60           HA       VAL  60   1.529   5.433   0.726
  474    HB   VAL  60           HB       VAL  60   0.907   4.366   2.486
  475   HG11  VAL  60          HG11      VAL  60   0.762   2.004   0.578
  476   HG12  VAL  60          HG12      VAL  60  -0.173   2.238   2.080
  477   HG13  VAL  60          HG13      VAL  60  -0.377   3.345   0.713
  478   HG21  VAL  60          HG21      VAL  60   2.869   3.686   3.439
  479   HG22  VAL  60          HG22      VAL  60   1.783   2.300   3.496
  480   HG23  VAL  60          HG23      VAL  60   3.121   2.361   2.296
  481    H    ARG  61           H        ARG  61   2.803   6.661   2.105
  482    HA   ARG  61           HA       ARG  61   5.582   5.716   2.572
  483    HB2  ARG  61           HB2      ARG  61   6.130   7.085   0.826
  484    HB3  ARG  61           HB3      ARG  61   4.751   8.185   1.069
  485    HG2  ARG  61           HG2      ARG  61   5.847   9.141   3.052
  486    HG3  ARG  61           HG3      ARG  61   7.185   7.971   2.892
  487    HD2  ARG  61           HD2      ARG  61   7.634   8.941   0.603
  488    HD3  ARG  61           HD3      ARG  61   6.468  10.218   0.977
  489    HE   ARG  61           HE       ARG  61   9.108   9.740   2.276
  490   HH11  ARG  61          HH11      ARG  61   6.200  11.797   2.042
  491   HH12  ARG  61          HH12      ARG  61   7.002  13.157   2.773
  492   HH21  ARG  61          HH21      ARG  61  10.044  11.508   3.293
  493   HH22  ARG  61          HH22      ARG  61   9.146  12.995   3.504
  494    H    PHE  62           H        PHE  62   6.461   6.052   4.276
  495    HA   PHE  62           HA       PHE  62   4.736   7.282   6.423
  496    HB2  PHE  62           HB2      PHE  62   6.689   4.990   6.436
  497    HB3  PHE  62           HB3      PHE  62   6.283   5.875   7.903
  498    HD1  PHE  62           HD1      PHE  62   3.932   5.017   5.075
  499    HD2  PHE  62           HD2      PHE  62   5.111   4.337   9.163
  500    HE1  PHE  62           HE1      PHE  62   1.841   3.792   5.451
  501    HE2  PHE  62           HE2      PHE  62   3.051   3.009   9.519
  502    HZ   PHE  62           HZ       PHE  62   1.437   2.725   7.715
  503    H    HIS  63           H        HIS  63   5.473   8.789   7.692
  504    HA   HIS  63           HA       HIS  63   7.884  10.277   6.962
  505    HB2  HIS  63           HB2      HIS  63   6.878  11.869   8.658
  506    HB3  HIS  63           HB3      HIS  63   5.793  11.455   7.320
  507    HD2  HIS  63           HD2      HIS  63   3.494  11.811   8.650
  508    HE1  HIS  63           HE1      HIS  63   4.062   8.753  11.551
  509    HE2  HIS  63           HE2      HIS  63   2.400  10.442  10.580
  510    H    ASP  64           H        ASP  64   7.225   7.686   9.025
  511    HA   ASP  64           HA       ASP  64   9.571   8.284  10.709
  512    HB2  ASP  64           HB2      ASP  64   7.571   9.159  11.905
  513    HB3  ASP  64           HB3      ASP  64   6.856   7.543  11.861
  514    H    LYS  65           H        LYS  65  10.820   6.590  10.352
  515    HA   LYS  65           HA       LYS  65  10.089   4.181   9.202
  516    HB2  LYS  65           HB2      LYS  65  12.326   3.454   9.727
  517    HB3  LYS  65           HB3      LYS  65  12.332   5.179   9.318
  518    HG2  LYS  65           HG2      LYS  65  12.112   5.528  11.923
  519    HG3  LYS  65           HG3      LYS  65  12.687   3.855  12.018
  520    HD2  LYS  65           HD2      LYS  65  14.078   6.203  10.656
  521    HD3  LYS  65           HD3      LYS  65  14.556   5.470  12.187
  522    HE2  LYS  65           HE2      LYS  65  15.095   3.365  11.050
  523    HE3  LYS  65           HE3      LYS  65  14.493   4.014   9.513
  524    HZ1  LYS  65           HZ1      LYS  65  16.877   4.170   9.671
  525    HZ2  LYS  65           HZ2      LYS  65  16.206   5.661   9.581
  526    HZ3  LYS  65           HZ3      LYS  65  16.772   5.103  11.025
  527    H    ARG  66           H        ARG  66   9.808   5.101  12.608
  528    HA   ARG  66           HA       ARG  66   9.909   2.412  13.669
  529    HB2  ARG  66           HB2      ARG  66   8.629   4.972  14.718
  530    HB3  ARG  66           HB3      ARG  66   8.850   3.485  15.660
  531    HG2  ARG  66           HG2      ARG  66  11.108   5.115  14.413
  532    HG3  ARG  66           HG3      ARG  66  10.611   5.176  16.115
  533    HD2  ARG  66           HD2      ARG  66  11.629   2.702  14.656
  534    HD3  ARG  66           HD3      ARG  66  12.580   3.702  15.764
  535    HE   ARG  66           HE       ARG  66  10.722   3.109  17.472
  536   HH11  ARG  66          HH11      ARG  66  11.869   0.901  14.939
  537   HH12  ARG  66          HH12      ARG  66  11.509  -0.524  15.875
  538   HH21  ARG  66          HH21      ARG  66  10.253   1.230  18.642
  539   HH22  ARG  66          HH22      ARG  66  10.593  -0.346  17.951
  540    H    ASP  67           H        ASP  67   7.216   4.632  12.800
  541    HA   ASP  67           HA       ASP  67   5.161   2.686  13.327
  542    HB2  ASP  67           HB2      ASP  67   5.166   5.116  11.493
  543    HB3  ASP  67           HB3      ASP  67   3.735   4.208  11.982
  544    H    ALA  68           H        ALA  68   7.340   3.334  10.617
  545    HA   ALA  68           HA       ALA  68   5.818   1.810   8.687
  546    HB1  ALA  68           HB1      ALA  68   7.348   3.641   8.062
  547    HB2  ALA  68           HB2      ALA  68   8.716   2.741   8.777
  548    HB3  ALA  68           HB3      ALA  68   7.888   2.103   7.347
  549    H    GLU  69           H        GLU  69   8.469   1.132  11.000
  550    HA   GLU  69           HA       GLU  69   9.313  -1.360   9.938
  551    HB2  GLU  69           HB2      GLU  69   9.386   0.019  12.628
  552    HB3  GLU  69           HB3      GLU  69   9.741  -1.702  12.551
  553    HG2  GLU  69           HG2      GLU  69  11.496  -1.266  10.830
  554    HG3  GLU  69           HG3      GLU  69  11.151   0.458  10.907
  555    H    ASP  70           H        ASP  70   6.829  -0.598  12.467
  556    HA   ASP  70           HA       ASP  70   6.291  -3.409  12.854
  557    HB2  ASP  70           HB2      ASP  70   4.549  -1.023  13.567
  558    HB3  ASP  70           HB3      ASP  70   4.435  -2.673  14.197
  559    H    ALA  71           H        ALA  71   4.662  -0.788  10.979
  560    HA   ALA  71           HA       ALA  71   2.452  -2.339  10.144
  561    HB1  ALA  71           HB1      ALA  71   2.210  -0.642   8.387
  562    HB2  ALA  71           HB2      ALA  71   2.631   0.143   9.918
  563    HB3  ALA  71           HB3      ALA  71   3.875  -0.072   8.668
  564    H    MET  72           H        MET  72   5.686  -1.860   8.623
  565    HA   MET  72           HA       MET  72   5.149  -3.458   6.317
  566    HB2  MET  72           HB2      MET  72   6.969  -1.875   6.354
  567    HB3  MET  72           HB3      MET  72   7.649  -2.596   7.824
  568    HG2  MET  72           HG2      MET  72   8.428  -4.491   6.714
  569    HG3  MET  72           HG3      MET  72   7.418  -4.211   5.288
  570    HE1  MET  72           HE1      MET  72  10.100  -2.408   7.507
  571    HE2  MET  72           HE2      MET  72  10.848  -1.281   6.343
  572    HE3  MET  72           HE3      MET  72   9.159  -1.054   6.827
  573    H    ASP  73           H        ASP  73   6.554  -4.226   9.541
  574    HA   ASP  73           HA       ASP  73   7.079  -6.969   8.888
  575    HB2  ASP  73           HB2      ASP  73   8.170  -5.682  10.732
  576    HB3  ASP  73           HB3      ASP  73   6.629  -5.644  11.598
  577    H    ALA  74           H        ALA  74   4.140  -5.343   9.203
  578    HA   ALA  74           HA       ALA  74   2.721  -7.869   9.882
  579    HB1  ALA  74           HB1      ALA  74   2.036  -5.013  10.660
  580    HB2  ALA  74           HB2      ALA  74   1.045  -6.452  11.018
  581    HB3  ALA  74           HB3      ALA  74   2.655  -6.274  11.750
  582    H    MET  75           H        MET  75   3.437  -5.967   7.310
  583    HA   MET  75           HA       MET  75   0.756  -6.450   6.101
  584    HB2  MET  75           HB2      MET  75   2.363  -3.889   6.076
  585    HB3  MET  75           HB3      MET  75   1.185  -4.256   4.823
  586    HG2  MET  75           HG2      MET  75   0.568  -4.145   7.796
  587    HG3  MET  75           HG3      MET  75   0.210  -2.890   6.611
  588    HE1  MET  75           HE1      MET  75  -0.519  -5.157   4.153
  589    HE2  MET  75           HE2      MET  75  -2.274  -4.856   4.206
  590    HE3  MET  75           HE3      MET  75  -1.132  -3.499   4.349
  591    H    ASP  76           H        ASP  76   4.266  -6.580   5.764
  592    HA   ASP  76           HA       ASP  76   4.301  -6.707   2.908
  593    HB2  ASP  76           HB2      ASP  76   6.291  -6.310   4.342
  594    HB3  ASP  76           HB3      ASP  76   6.190  -7.987   4.920
  595    H    GLY  77           H        GLY  77   3.343  -8.188   1.659
  596    HA2  GLY  77           HA2      GLY  77   2.579 -10.167   0.861
  597    HA3  GLY  77           HA3      GLY  77   3.594 -11.011   2.060
  598    H    ALA  78           H        ALA  78   1.147  -8.608   2.916
  599    HA   ALA  78           HA       ALA  78  -0.177 -10.590   4.625
  600    HB1  ALA  78           HB1      ALA  78  -0.595  -7.599   4.261
  601    HB2  ALA  78           HB2      ALA  78  -1.364  -8.600   5.516
  602    HB3  ALA  78           HB3      ALA  78   0.398  -8.381   5.513
  603    H    VAL  79           H        VAL  79  -0.481  -9.993   1.480
  604    HA   VAL  79           HA       VAL  79  -2.213  -9.840  -0.053
  605    HB   VAL  79           HB       VAL  79  -1.679 -12.111  -0.025
  606   HG11  VAL  79          HG11      VAL  79  -2.685 -13.766   1.482
  607   HG12  VAL  79          HG12      VAL  79  -1.661 -12.597   2.328
  608   HG13  VAL  79          HG13      VAL  79  -3.442 -12.456   2.431
  609   HG21  VAL  79          HG21      VAL  79  -4.674 -11.999   0.067
  610   HG22  VAL  79          HG22      VAL  79  -3.587 -11.498  -1.266
  611   HG23  VAL  79          HG23      VAL  79  -3.622 -13.192  -0.726
  612    H    LEU  80           H        LEU  80  -3.053  -7.878   0.818
  613    HA   LEU  80           HA       LEU  80  -5.332  -7.728   2.483
  614    HB2  LEU  80           HB2      LEU  80  -3.952  -5.873   2.230
  615    HB3  LEU  80           HB3      LEU  80  -3.875  -6.011   0.476
  616    HG   LEU  80           HG       LEU  80  -6.486  -5.266   1.820
  617   HD11  LEU  80          HD11      LEU  80  -4.754  -3.769   2.695
  618   HD12  LEU  80          HD12      LEU  80  -4.148  -3.471   1.046
  619   HD13  LEU  80          HD13      LEU  80  -5.772  -2.902   1.517
  620   HD21  LEU  80          HD21      LEU  80  -6.458  -5.793  -0.646
  621   HD22  LEU  80          HD22      LEU  80  -6.771  -4.071  -0.354
  622   HD23  LEU  80          HD23      LEU  80  -5.153  -4.619  -0.861
  623    H    ASP  81           H        ASP  81  -5.075  -8.892  -0.790
  624    HA   ASP  81           HA       ASP  81  -8.049  -8.869  -0.953
  625    HB2  ASP  81           HB2      ASP  81  -7.266  -6.927  -2.254
  626    HB3  ASP  81           HB3      ASP  81  -6.165  -7.959  -3.164
  627    H    GLY  82           H        GLY  82  -5.013 -10.067  -2.505
  628    HA2  GLY  82           HA2      GLY  82  -5.231 -12.701  -2.088
  629    HA3  GLY  82           HA3      GLY  82  -6.422 -12.511  -3.401
  630    H    ARG  83           H        ARG  83  -3.477 -10.574  -3.113
  631    HA   ARG  83           HA       ARG  83  -2.163 -12.165  -5.266
  632    HB2  ARG  83           HB2      ARG  83  -1.525  -9.929  -6.274
  633    HB3  ARG  83           HB3      ARG  83  -3.228 -10.405  -6.463
  634    HG2  ARG  83           HG2      ARG  83  -3.981  -8.900  -4.790
  635    HG3  ARG  83           HG3      ARG  83  -2.343  -8.656  -4.142
  636    HD2  ARG  83           HD2      ARG  83  -3.145  -6.763  -5.534
  637    HD3  ARG  83           HD3      ARG  83  -1.643  -7.505  -6.105
  638    HE   ARG  83           HE       ARG  83  -4.355  -8.010  -7.307
  639   HH11  ARG  83          HH11      ARG  83  -0.843  -7.663  -7.700
  640   HH12  ARG  83          HH12      ARG  83  -0.898  -7.986  -9.411
  641   HH21  ARG  83          HH21      ARG  83  -4.379  -8.425  -9.524
  642   HH22  ARG  83          HH22      ARG  83  -2.892  -8.397 -10.447
  643    H    GLU  84           H        GLU  84  -1.928 -10.156  -2.423
  644    HA   GLU  84           HA       GLU  84  -0.455 -10.652  -0.741
  645    HB2  GLU  84           HB2      GLU  84   0.618 -12.417  -2.595
  646    HB3  GLU  84           HB3      GLU  84   1.968 -11.322  -2.227
  647    HG2  GLU  84           HG2      GLU  84   1.310 -11.708   0.257
  648    HG3  GLU  84           HG3      GLU  84   0.249 -12.975  -0.339
  649    H    LEU  85           H        LEU  85  -0.629  -8.548  -0.274
  650    HA   LEU  85           HA       LEU  85   0.396  -6.289  -1.448
  651    HB2  LEU  85           HB2      LEU  85  -0.999  -6.945   0.767
  652    HB3  LEU  85           HB3      LEU  85   0.543  -6.649   1.543
  653    HG   LEU  85           HG       LEU  85  -0.991  -4.758   1.638
  654   HD11  LEU  85          HD11      LEU  85   1.287  -3.960  -0.185
  655   HD12  LEU  85          HD12      LEU  85   0.490  -3.008   1.083
  656   HD13  LEU  85          HD13      LEU  85   1.508  -4.399   1.537
  657   HD21  LEU  85          HD21      LEU  85  -0.692  -4.545  -1.382
  658   HD22  LEU  85          HD22      LEU  85  -2.138  -5.153  -0.542
  659   HD23  LEU  85          HD23      LEU  85  -1.616  -3.467  -0.328
  660    H    ARG  86           H        ARG  86   2.280  -4.938  -0.992
  661    HA   ARG  86           HA       ARG  86   4.699  -6.464  -0.134
  662    HB2  ARG  86           HB2      ARG  86   4.286  -4.737  -2.604
  663    HB3  ARG  86           HB3      ARG  86   5.877  -5.274  -2.030
  664    HG2  ARG  86           HG2      ARG  86   3.604  -7.113  -2.885
  665    HG3  ARG  86           HG3      ARG  86   5.012  -6.686  -3.864
  666    HD2  ARG  86           HD2      ARG  86   6.507  -7.628  -2.122
  667    HD3  ARG  86           HD3      ARG  86   5.096  -8.083  -1.152
  668    HE   ARG  86           HE       ARG  86   5.765  -9.224  -3.836
  669   HH11  ARG  86          HH11      ARG  86   4.201  -9.490  -0.673
  670   HH12  ARG  86          HH12      ARG  86   3.860 -11.203  -0.874
  671   HH21  ARG  86          HH21      ARG  86   5.221 -11.443  -4.062
  672   HH22  ARG  86          HH22      ARG  86   4.378 -12.260  -2.756
  673    H    VAL  87           H        VAL  87   6.014  -5.341   1.212
  674    HA   VAL  87           HA       VAL  87   5.664  -2.395   1.345
  675    HB   VAL  87           HB       VAL  87   5.779  -4.191   3.795
  676   HG11  VAL  87          HG11      VAL  87   5.296  -1.226   3.315
  677   HG12  VAL  87          HG12      VAL  87   4.981  -2.035   4.868
  678   HG13  VAL  87          HG13      VAL  87   6.630  -2.001   4.185
  679   HG21  VAL  87          HG21      VAL  87   3.669  -4.689   2.745
  680   HG22  VAL  87          HG22      VAL  87   3.392  -3.614   4.126
  681   HG23  VAL  87          HG23      VAL  87   3.340  -2.972   2.463
  682    H    GLN  88           H        GLN  88   7.464  -1.254   1.792
  683    HA   GLN  88           HA       GLN  88   9.974  -2.402   2.670
  684    HB2  GLN  88           HB2      GLN  88  11.096  -2.028   0.431
  685    HB3  GLN  88           HB3      GLN  88  10.025  -3.441   0.508
  686    HG2  GLN  88           HG2      GLN  88   8.230  -2.195  -0.604
  687    HG3  GLN  88           HG3      GLN  88   9.221  -0.733  -0.627
  688   HE21  GLN  88          HE22      GLN  88   8.087  -1.849  -2.970
  689   HE22  GLN  88          HE21      GLN  88   9.375  -2.480  -3.975
  690    H    MET  89           H        MET  89  11.541  -0.798   3.007
  691    HA   MET  89           HA       MET  89  10.830   1.891   3.318
  692    HB2  MET  89           HB2      MET  89  13.478   0.502   2.809
  693    HB3  MET  89           HB3      MET  89  13.372   2.227   3.210
  694    HG2  MET  89           HG2      MET  89  11.962   0.120   4.868
  695    HG3  MET  89           HG3      MET  89  13.645   0.515   5.172
  696    HE1  MET  89           HE1      MET  89  12.298   0.791   7.643
  697    HE2  MET  89           HE2      MET  89  11.198   2.152   7.979
  698    HE3  MET  89           HE3      MET  89  10.676   0.838   6.904
  699    H    ALA  90           H        ALA  90  10.971   3.707   2.037
  700    HA   ALA  90           HA       ALA  90  10.600   3.224  -0.806
  701    HB1  ALA  90           HB1      ALA  90   9.998   5.600  -0.866
  702    HB2  ALA  90           HB2      ALA  90   9.199   4.813   0.499
  703    HB3  ALA  90           HB3      ALA  90  10.624   5.824   0.792
  704    H    ARG  91           H        ARG  91  13.373   3.585   0.984
  705    HA   ARG  91           HA       ARG  91  15.537   3.961   0.490
  706    HB2  ARG  91           HB2      ARG  91  14.593   4.506  -2.370
  707    HB3  ARG  91           HB3      ARG  91  16.252   4.709  -1.833
  708    HG2  ARG  91           HG2      ARG  91  16.161   2.593  -2.753
  709    HG3  ARG  91           HG3      ARG  91  16.272   2.402  -0.983
  710    HD2  ARG  91           HD2      ARG  91  13.969   1.769  -0.826
  711    HD3  ARG  91           HD3      ARG  91  13.643   2.313  -2.489
  712    HE   ARG  91           HE       ARG  91  15.598   0.381  -2.787
  713   HH11  ARG  91          HH21      ARG  91  12.421   0.394  -1.232
  714   HH12  ARG  91          HH22      ARG  91  12.092  -1.273  -1.660
  715   HH21  ARG  91          HH11      ARG  91  15.153  -1.815  -3.255
  716   HH22  ARG  91          HH12      ARG  91  13.644  -2.523  -2.743
  717    H    TYR  92           H        TYR  92  13.410   6.157   1.197
  718    HA   TYR  92           HA       TYR  92  15.366   8.326   0.718
  719    HB2  TYR  92           HB2      TYR  92  12.337   8.608   0.745
  720    HB3  TYR  92           HB3      TYR  92  13.506   9.897   0.443
  721    HD1  TYR  92           HD2      TYR  92  14.927   9.825  -1.653
  722    HD2  TYR  92           HD1      TYR  92  11.612   7.179  -0.985
  723    HE1  TYR  92           HE2      TYR  92  14.840   9.322  -4.089
  724    HE2  TYR  92           HE1      TYR  92  11.539   6.633  -3.400
  725    HH   TYR  92           HH       TYR  92  12.456   7.030  -5.472
  726    H    GLY  93           H        GLY  93  14.823  10.272   2.251
  727    HA2  GLY  93           HA2      GLY  93  13.834   9.426   4.890
  728    HA3  GLY  93           HA3      GLY  93  15.548   9.873   4.782
  729    H    ARG  94           H        ARG  94  13.365  11.493   2.613
  730    HA   ARG  94           HA       ARG  94  13.918  14.096   3.621
  731    HB2  ARG  94           HB2      ARG  94  11.662  13.049   1.853
  732    HB3  ARG  94           HB3      ARG  94  12.085  14.759   2.032
  733    HG2  ARG  94           HG2      ARG  94  13.904  12.592   0.903
  734    HG3  ARG  94           HG3      ARG  94  13.019  13.808  -0.033
  735    HD2  ARG  94           HD2      ARG  94  14.274  15.604   1.164
  736    HD3  ARG  94           HD3      ARG  94  15.206  14.352   2.011
  737    HE   ARG  94           HE       ARG  94  15.370  13.871  -0.783
  738   HH11  ARG  94          HH11      ARG  94  16.458  16.223   1.618
  739   HH12  ARG  94          HH12      ARG  94  17.888  16.666   0.718
  740   HH21  ARG  94          HH21      ARG  94  17.249  14.453  -1.939
  741   HH22  ARG  94          HH22      ARG  94  18.338  15.659  -1.296
  742    HA   PRO  95           HA       PRO  95  10.907  14.650   6.839
  743    HB2  PRO  95           HB2      PRO  95  10.095  17.257   6.462
  744    HB3  PRO  95           HB3      PRO  95  11.712  16.806   7.093
  745    HG2  PRO  95           HG2      PRO  95  10.928  17.484   4.247
  746    HG3  PRO  95           HG3      PRO  95  12.303  18.137   5.200
  747    HD2  PRO  95           HD2      PRO  95  12.640  16.114   3.434
  748    HD3  PRO  95           HD3      PRO  95  13.499  16.098   5.004
  749    HA   PRO  96           HA       PRO  96   6.861  13.987   5.203
  750    HB2  PRO  96           HB2      PRO  96   5.150  15.204   6.957
  751    HB3  PRO  96           HB3      PRO  96   6.118  13.758   7.387
  752    HG2  PRO  96           HG2      PRO  96   6.766  16.672   7.951
  753    HG3  PRO  96           HG3      PRO  96   6.795  15.291   9.098
  754    HD2  PRO  96           HD2      PRO  96   9.057  16.162   7.883
  755    HD3  PRO  96           HD3      PRO  96   8.772  14.415   8.133
  756    H    ASP  97           H        ASP  97   7.825  17.349   5.784
  757    HA   ASP  97           HA       ASP  97   6.679  18.143   3.239
  758    HB2  ASP  97           HB2      ASP  97   4.669  18.268   4.687
  759    HB3  ASP  97           HB3      ASP  97   5.546  19.316   5.810
  760    H    SER  98           H        SER  98   8.204  19.047   6.353
  761    HA   SER  98           HA       SER  98  10.203  20.663   4.986
  762    HB2  SER  98           HB2      SER  98   8.239  22.210   5.105
  763    HB3  SER  98           HB3      SER  98   8.229  22.020   6.872
  764    HG   SER  98           HG       SER  98   9.401  23.870   6.168
  765    H    HIS  99           H        HIS  99  11.656  21.729   6.718
  766    HA   HIS  99           HA       HIS  99  11.593  20.430   9.354
  767    HB2  HIS  99           HB2      HIS  99  13.814  19.473   9.133
  768    HB3  HIS  99           HB3      HIS  99  12.756  18.800   7.891
  769    HD2  HIS  99           HD2      HIS  99  16.024  20.620   8.355
  770    HE1  HIS  99           HE1      HIS  99  15.286  20.752   4.171
  771    HE2  HIS  99           HE2      HIS  99  17.013  21.168   5.997
  772    H    HIS 100           H        HIS 100  13.572  21.215  10.660
  773    HA   HIS 100           HA       HIS 100  14.592  23.854   9.838
  774    HB2  HIS 100           HB2      HIS 100  13.755  24.916  11.909
  775    HB3  HIS 100           HB3      HIS 100  12.446  24.390  10.851
  776    HD2  HIS 100           HD2      HIS 100  10.705  22.674  11.815
  777    HE1  HIS 100           HE1      HIS 100  12.532  21.928  15.578
  778    HE2  HIS 100           HE2      HIS 100  10.455  21.536  14.158
  779    H    SER 101           H        SER 101  15.209  20.879  11.034
  780    HA   SER 101           HA       SER 101  17.664  21.765  12.421
  781    HB2  SER 101           HB2      SER 101  15.602  19.862  13.627
  782    HB3  SER 101           HB3      SER 101  17.250  20.099  14.237
  783    HG   SER 101           HG       SER 101  15.237  22.085  14.018
  Start of MODEL    5
    1    H    MET   1           H1       MET   1   0.735 -19.496   3.422
    2    HA   MET   1           HA       MET   1   0.323 -17.604   4.823
    3    HB2  MET   1           HB2      MET   1   1.785 -19.892   6.200
    4    HB3  MET   1           HB3      MET   1   0.777 -18.680   7.015
    5    HG2  MET   1           HG2      MET   1  -1.158 -19.367   5.636
    6    HG3  MET   1           HG3      MET   1  -0.161 -20.607   4.862
    7    HE1  MET   1           HE1      MET   1  -2.651 -22.698   7.032
    8    HE2  MET   1           HE2      MET   1  -2.989 -21.162   6.199
    9    HE3  MET   1           HE3      MET   1  -1.996 -22.405   5.406
   10    H    SER   2           H        SER   2   1.089 -15.756   5.684
   11    HA   SER   2           HA       SER   2   3.861 -15.552   6.611
   12    HB2  SER   2           HB2      SER   2   3.966 -15.216   4.136
   13    HB3  SER   2           HB3      SER   2   2.879 -13.814   4.322
   14    HG   SER   2           HG       SER   2   5.115 -13.251   4.325
   15    H    TYR   3           H        TYR   3   4.131 -12.913   6.918
   16    HA   TYR   3           HA       TYR   3   1.720 -11.819   8.237
   17    HB2  TYR   3           HB2      TYR   3   3.060 -11.623  10.382
   18    HB3  TYR   3           HB3      TYR   3   2.570 -13.264   9.957
   19    HD1  TYR   3           HD1      TYR   3   4.208 -14.871   8.988
   20    HD2  TYR   3           HD2      TYR   3   5.433 -11.013  10.468
   21    HE1  TYR   3           HE1      TYR   3   6.550 -15.671   9.141
   22    HE2  TYR   3           HE2      TYR   3   7.774 -11.814  10.622
   23    HH   TYR   3           HH       TYR   3   8.713 -15.145   9.706
   24    H    GLY   4           H        GLY   4   5.164 -11.559   7.333
   25    HA2  GLY   4           HA2      GLY   4   5.298  -9.107   6.250
   26    HA3  GLY   4           HA3      GLY   4   5.241  -8.689   7.965
   27    H    ARG   5           H        ARG   5   7.492  -7.853   6.924
   28    HA   ARG   5           HA       ARG   5   9.482  -9.761   7.983
   29    HB2  ARG   5           HB2      ARG   5   9.595  -8.360   5.274
   30    HB3  ARG   5           HB3      ARG   5  10.977  -9.163   6.031
   31    HG2  ARG   5           HG2      ARG   5   9.732 -11.306   6.063
   32    HG3  ARG   5           HG3      ARG   5   8.353 -10.513   5.254
   33    HD2  ARG   5           HD2      ARG   5   9.767  -9.889   3.368
   34    HD3  ARG   5           HD3      ARG   5  11.175 -10.616   4.164
   35    HE   ARG   5           HE       ARG   5  10.373 -12.767   3.684
   36   HH11  ARG   5          HH11      ARG   5   8.023 -10.322   2.671
   37   HH12  ARG   5          HH12      ARG   5   7.099 -11.455   1.714
   38   HH21  ARG   5          HH21      ARG   5   9.154 -14.203   2.411
   39   HH22  ARG   5          HH22      ARG   5   7.725 -13.639   1.575
   40    HA   PRO   6           HA       PRO   6  11.160  -6.054   9.783
   41    HB2  PRO   6           HB2      PRO   6  13.830  -6.660   9.967
   42    HB3  PRO   6           HB3      PRO   6  12.584  -7.481  10.960
   43    HG2  PRO   6           HG2      PRO   6  13.826  -8.420   8.360
   44    HG3  PRO   6           HG3      PRO   6  13.639  -9.343   9.888
   45    HD2  PRO   6           HD2      PRO   6  11.860  -9.598   7.858
   46    HD3  PRO   6           HD3      PRO   6  11.302  -9.585   9.559
   47    HA   PRO   7           HA       PRO   7  12.728  -3.437   6.582
   48    HB2  PRO   7           HB2      PRO   7  14.440  -1.730   7.874
   49    HB3  PRO   7           HB3      PRO   7  12.663  -1.704   8.129
   50    HG2  PRO   7           HG2      PRO   7  14.773  -3.102   9.796
   51    HG3  PRO   7           HG3      PRO   7  13.460  -2.014  10.367
   52    HD2  PRO   7           HD2      PRO   7  13.187  -4.707  10.441
   53    HD3  PRO   7           HD3      PRO   7  11.808  -3.670   9.961
   54    HA   PRO   8           HA       PRO   8  16.529  -4.988   5.006
   55    HB2  PRO   8           HB2      PRO   8  17.591  -2.855   3.604
   56    HB3  PRO   8           HB3      PRO   8  16.151  -3.778   3.089
   57    HG2  PRO   8           HG2      PRO   8  16.226  -1.134   4.548
   58    HG3  PRO   8           HG3      PRO   8  15.219  -1.611   3.143
   59    HD2  PRO   8           HD2      PRO   8  14.270  -1.658   5.707
   60    HD3  PRO   8           HD3      PRO   8  13.770  -2.876   4.494
   61    H    ASP   9           H        ASP   9  17.476  -1.622   5.609
   62    HA   ASP   9           HA       ASP   9  19.257  -2.457   7.839
   63    HB2  ASP   9           HB2      ASP   9  20.225  -1.093   5.294
   64    HB3  ASP   9           HB3      ASP   9  21.177  -1.229   6.775
   65    H    VAL  10           H        VAL  10  17.823   0.111   5.857
   66    HA   VAL  10           HA       VAL  10  17.433   2.304   6.183
   67    HB   VAL  10           HB       VAL  10  15.999   2.792   8.052
   68   HG11  VAL  10          HG11      VAL  10  15.580  -0.008   6.938
   69   HG12  VAL  10          HG12      VAL  10  14.328   1.059   7.631
   70   HG13  VAL  10          HG13      VAL  10  15.163   1.510   6.123
   71   HG21  VAL  10          HG21      VAL  10  16.712   0.028   9.124
   72   HG22  VAL  10          HG22      VAL  10  17.291   1.554   9.829
   73   HG23  VAL  10          HG23      VAL  10  15.549   1.177   9.818
   74    H    GLU  11           H        GLU  11  20.226   1.599   6.930
   75    HA   GLU  11           HA       GLU  11  20.965   3.124   9.236
   76    HB2  GLU  11           HB2      GLU  11  22.474   2.133   6.788
   77    HB3  GLU  11           HB3      GLU  11  23.274   2.974   8.127
   78    HG2  GLU  11           HG2      GLU  11  21.665   0.413   8.419
   79    HG3  GLU  11           HG3      GLU  11  23.429   0.506   8.309
   80    H    GLY  12           H        GLY  12  19.604   4.293   6.435
   81    HA2  GLY  12           HA2      GLY  12  20.538   6.989   6.972
   82    HA3  GLY  12           HA3      GLY  12  21.154   6.339   5.441
   83    H    MET  13           H        MET  13  18.009   5.240   6.548
   84    HA   MET  13           HA       MET  13  16.603   7.191   4.815
   85    HB2  MET  13           HB2      MET  13  16.252   4.172   4.573
   86    HB3  MET  13           HB3      MET  13  15.399   5.418   3.668
   87    HG2  MET  13           HG2      MET  13  17.008   4.758   2.138
   88    HG3  MET  13           HG3      MET  13  17.737   6.188   2.858
   89    HE1  MET  13           HE1      MET  13  17.409   2.426   4.132
   90    HE2  MET  13           HE2      MET  13  17.796   2.337   2.395
   91    HE3  MET  13           HE3      MET  13  18.978   1.783   3.605
   92    H    THR  14           H        THR  14  14.168   6.913   5.068
   93    HA   THR  14           HA       THR  14  13.394   5.777   7.681
   94    HB   THR  14           HB       THR  14  13.040   8.714   6.948
   95   HG21  THR  14          HG21      THR  14  11.149   7.794   8.293
   96   HG22  THR  14          HG22      THR  14  12.313   7.228   9.513
   97   HG23  THR  14          HG23      THR  14  12.119   8.972   9.205
   98    H    SER  15           H        SER  15  12.508   7.244   4.547
   99    HA   SER  15           HA       SER  15   9.655   7.043   4.870
  100    HB2  SER  15           HB2      SER  15  11.394   7.064   2.377
  101    HB3  SER  15           HB3      SER  15   9.642   7.375   2.443
  102    HG   SER  15           HG       SER  15  10.165   9.108   3.915
  103    H    LEU  16           H        LEU  16   8.220   5.584   4.424
  104    HA   LEU  16           HA       LEU  16   9.158   2.846   3.662
  105    HB2  LEU  16           HB2      LEU  16   7.713   3.206   5.697
  106    HB3  LEU  16           HB3      LEU  16   6.438   3.802   4.613
  107    HG   LEU  16           HG       LEU  16   6.446   1.574   3.447
  108   HD11  LEU  16          HD11      LEU  16   8.760   0.881   4.067
  109   HD12  LEU  16          HD12      LEU  16   8.241   0.752   5.773
  110   HD13  LEU  16          HD13      LEU  16   7.556  -0.321   4.545
  111   HD21  LEU  16          HD21      LEU  16   5.916   1.527   6.432
  112   HD22  LEU  16          HD22      LEU  16   4.796   2.074   5.162
  113   HD23  LEU  16          HD23      LEU  16   5.277   0.374   5.232
  114    H    LYS  17           H        LYS  17   7.929   1.734   2.001
  115    HA   LYS  17           HA       LYS  17   6.252   3.304   0.126
  116    HB2  LYS  17           HB2      LYS  17   8.239   3.440  -1.071
  117    HB3  LYS  17           HB3      LYS  17   8.848   1.914  -0.409
  118    HG2  LYS  17           HG2      LYS  17   8.456   1.606  -2.706
  119    HG3  LYS  17           HG3      LYS  17   7.236   0.663  -1.828
  120    HD2  LYS  17           HD2      LYS  17   5.656   2.654  -2.214
  121    HD3  LYS  17           HD3      LYS  17   6.900   3.292  -3.319
  122    HE2  LYS  17           HE2      LYS  17   5.477   0.615  -3.547
  123    HE3  LYS  17           HE3      LYS  17   5.195   2.033  -4.562
  124    HZ1  LYS  17           HZ1      LYS  17   7.417   1.836  -5.387
  125    HZ2  LYS  17           HZ2      LYS  17   7.742   0.565  -4.395
  126    HZ3  LYS  17           HZ3      LYS  17   6.633   0.397  -5.588
  127    H    VAL  18           H        VAL  18   4.523   2.119  -0.530
  128    HA   VAL  18           HA       VAL  18   4.554  -0.857  -0.088
  129    HB   VAL  18           HB       VAL  18   2.495   1.221   0.549
  130   HG11  VAL  18          HG11      VAL  18   2.007  -1.756   0.076
  131   HG12  VAL  18          HG12      VAL  18   0.836  -0.651   0.839
  132   HG13  VAL  18          HG13      VAL  18   1.297  -0.425  -0.858
  133   HG21  VAL  18          HG21      VAL  18   4.095   0.441   2.289
  134   HG22  VAL  18          HG22      VAL  18   2.410   0.033   2.682
  135   HG23  VAL  18          HG23      VAL  18   3.506  -1.219   2.043
  136    H    ASP  19           H        ASP  19   3.594  -2.059  -1.565
  137    HA   ASP  19           HA       ASP  19   2.976  -0.947  -4.260
  138    HB2  ASP  19           HB2      ASP  19   5.461  -1.452  -3.602
  139    HB3  ASP  19           HB3      ASP  19   4.960  -3.148  -3.675
  140    H    ASN  20           H        ASN  20   2.644  -2.981  -5.737
  141    HA   ASN  20           HA       ASN  20   1.384  -4.666  -6.401
  142    HB2  ASN  20           HB2      ASN  20   2.838  -5.844  -4.671
  143    HB3  ASN  20           HB3      ASN  20   1.374  -5.902  -3.674
  144   HD21  ASN  20          HD22      ASN  20   1.130  -8.176  -3.845
  145   HD22  ASN  20          HD21      ASN  20   0.649  -8.954  -5.339
  146    H    LEU  21           H        LEU  21  -0.527  -4.123  -7.027
  147    HA   LEU  21           HA       LEU  21  -2.778  -3.973  -5.073
  148    HB2  LEU  21           HB2      LEU  21  -2.400  -2.176  -7.483
  149    HB3  LEU  21           HB3      LEU  21  -3.666  -2.064  -6.255
  150    HG   LEU  21           HG       LEU  21  -0.695  -1.527  -5.796
  151   HD11  LEU  21          HD11      LEU  21  -3.145   0.291  -6.026
  152   HD12  LEU  21          HD12      LEU  21  -1.462   0.821  -5.768
  153   HD13  LEU  21          HD13      LEU  21  -1.929   0.062  -7.300
  154   HD21  LEU  21          HD21      LEU  21  -1.203  -0.831  -3.651
  155   HD22  LEU  21          HD22      LEU  21  -2.968  -0.810  -3.946
  156   HD23  LEU  21          HD23      LEU  21  -2.086  -2.356  -3.798
  157    H    THR  22           H        THR  22  -4.909  -4.073  -6.293
  158    HA   THR  22           HA       THR  22  -4.665  -5.885  -8.649
  159    HB   THR  22           HB       THR  22  -5.486  -6.921  -6.519
  160   HG21  THR  22          HG21      THR  22  -7.784  -6.459  -5.790
  161   HG22  THR  22          HG22      THR  22  -6.770  -5.009  -5.632
  162   HG23  THR  22          HG23      THR  22  -7.924  -5.146  -6.979
  163    H    TYR  23           H        TYR  23  -5.095  -2.811  -8.156
  164    HA   TYR  23           HA       TYR  23  -5.837  -1.184  -9.565
  165    HB2  TYR  23           HB2      TYR  23  -6.430  -1.772 -11.572
  166    HB3  TYR  23           HB3      TYR  23  -6.623  -3.436 -11.054
  167    HD1  TYR  23           HD2      TYR  23  -9.023  -3.921  -9.842
  168    HD2  TYR  23           HD1      TYR  23  -8.182  -0.694 -12.556
  169    HE1  TYR  23           HE2      TYR  23 -11.439  -3.744 -10.373
  170    HE2  TYR  23           HE1      TYR  23 -10.603  -0.499 -13.086
  171    HH   TYR  23           HH       TYR  23 -12.706  -1.315 -12.681
  172    H    ARG  24           H        ARG  24  -7.518  -2.879  -7.310
  173    HA   ARG  24           HA       ARG  24  -9.553  -0.698  -7.022
  174    HB2  ARG  24           HB2      ARG  24 -10.501  -2.723  -8.068
  175    HB3  ARG  24           HB3      ARG  24  -9.951  -3.690  -6.699
  176    HG2  ARG  24           HG2      ARG  24 -11.535  -2.524  -5.212
  177    HG3  ARG  24           HG3      ARG  24 -11.925  -1.354  -6.501
  178    HD2  ARG  24           HD2      ARG  24 -12.795  -3.224  -7.878
  179    HD3  ARG  24           HD3      ARG  24 -12.415  -4.355  -6.570
  180    HE   ARG  24           HE       ARG  24 -14.251  -3.579  -5.337
  181   HH11  ARG  24          HH11      ARG  24 -13.786  -1.576  -8.216
  182   HH12  ARG  24          HH12      ARG  24 -15.334  -0.781  -8.050
  183   HH21  ARG  24          HH21      ARG  24 -16.261  -2.555  -5.162
  184   HH22  ARG  24          HH22      ARG  24 -16.741  -1.343  -6.327
  185    H    THR  25           H        THR  25  -6.897  -2.115  -5.622
  186    HA   THR  25           HA       THR  25  -7.668  -2.385  -2.888
  187    HB   THR  25           HB       THR  25  -5.045  -1.616  -4.222
  188   HG21  THR  25          HG21      THR  25  -4.940  -0.849  -1.942
  189   HG22  THR  25          HG22      THR  25  -5.654  -2.360  -1.332
  190   HG23  THR  25          HG23      THR  25  -4.024  -2.367  -2.049
  191    H    SER  26           H        SER  26  -6.654   0.436  -4.817
  192    HA   SER  26           HA       SER  26  -6.739   2.631  -4.527
  193    HB2  SER  26           HB2      SER  26  -9.040   1.857  -2.705
  194    HB3  SER  26           HB3      SER  26  -8.734   3.511  -3.270
  195    HG   SER  26           HG       SER  26 -10.194   2.321  -4.609
  196    HA   PRO  27           HA       PRO  27  -4.279   4.214  -1.249
  197    HB2  PRO  27           HB2      PRO  27  -5.080   6.850  -1.208
  198    HB3  PRO  27           HB3      PRO  27  -3.994   6.136  -2.432
  199    HG2  PRO  27           HG2      PRO  27  -6.946   6.702  -2.619
  200    HG3  PRO  27           HG3      PRO  27  -5.678   6.944  -3.864
  201    HD2  PRO  27           HD2      PRO  27  -7.378   4.803  -3.864
  202    HD3  PRO  27           HD3      PRO  27  -5.698   4.653  -4.433
  203    H    ASP  28           H        ASP  28  -7.826   4.634  -1.028
  204    HA   ASP  28           HA       ASP  28  -7.745   5.712   1.653
  205    HB2  ASP  28           HB2      ASP  28  -9.635   5.937   0.027
  206    HB3  ASP  28           HB3      ASP  28  -9.945   4.193   0.231
  207    H    THR  29           H        THR  29  -8.214   2.397   0.299
  208    HA   THR  29           HA       THR  29  -8.792   1.199   2.850
  209    HB   THR  29           HB       THR  29  -7.462  -0.106   0.456
  210   HG21  THR  29          HG21      THR  29  -7.572  -1.510   2.461
  211   HG22  THR  29          HG22      THR  29  -9.314  -1.167   2.629
  212   HG23  THR  29          HG23      THR  29  -8.717  -2.106   1.243
  213    H    LEU  30           H        LEU  30  -5.841   1.705   0.886
  214    HA   LEU  30           HA       LEU  30  -4.031   0.350   2.608
  215    HB2  LEU  30           HB2      LEU  30  -3.686   2.744   0.754
  216    HB3  LEU  30           HB3      LEU  30  -2.342   1.844   1.469
  217    HG   LEU  30           HG       LEU  30  -4.449   0.491  -0.252
  218   HD11  LEU  30          HD11      LEU  30  -1.787   1.734  -1.078
  219   HD12  LEU  30          HD12      LEU  30  -2.848   0.750  -2.118
  220   HD13  LEU  30          HD13      LEU  30  -3.414   2.320  -1.521
  221   HD21  LEU  30          HD21      LEU  30  -3.061  -0.978   1.156
  222   HD22  LEU  30          HD22      LEU  30  -2.649  -1.172  -0.561
  223   HD23  LEU  30          HD23      LEU  30  -1.587  -0.215   0.494
  224    H    ARG  31           H        ARG  31  -5.413   3.660   2.675
  225    HA   ARG  31           HA       ARG  31  -3.513   4.778   4.419
  226    HB2  ARG  31           HB2      ARG  31  -5.617   5.793   3.083
  227    HB3  ARG  31           HB3      ARG  31  -6.452   5.510   4.604
  228    HG2  ARG  31           HG2      ARG  31  -4.078   7.308   4.050
  229    HG3  ARG  31           HG3      ARG  31  -5.696   7.756   4.631
  230    HD2  ARG  31           HD2      ARG  31  -5.205   6.501   6.749
  231    HD3  ARG  31           HD3      ARG  31  -3.559   6.233   6.160
  232    HE   ARG  31           HE       ARG  31  -3.051   8.523   6.404
  233   HH11  ARG  31          HH11      ARG  31  -6.401   7.847   7.340
  234   HH12  ARG  31          HH12      ARG  31  -6.586   9.377   8.173
  235   HH21  ARG  31          HH21      ARG  31  -3.335  10.482   7.510
  236   HH22  ARG  31          HH22      ARG  31  -4.865  10.857   8.268
  237    H    ARG  32           H        ARG  32  -6.711   3.339   5.199
  238    HA   ARG  32           HA       ARG  32  -6.099   3.426   8.061
  239    HB2  ARG  32           HB2      ARG  32  -8.404   2.529   8.282
  240    HB3  ARG  32           HB3      ARG  32  -8.345   3.883   7.135
  241    HG2  ARG  32           HG2      ARG  32  -7.910   1.785   5.427
  242    HG3  ARG  32           HG3      ARG  32  -8.927   1.002   6.652
  243    HD2  ARG  32           HD2      ARG  32  -9.556   3.585   5.164
  244    HD3  ARG  32           HD3      ARG  32 -10.218   1.990   4.768
  245    HE   ARG  32           HE       ARG  32 -10.833   2.416   7.470
  246   HH11  ARG  32          HH11      ARG  32 -11.561   3.955   4.361
  247   HH12  ARG  32          HH12      ARG  32 -13.108   4.561   4.898
  248   HH21  ARG  32          HH21      ARG  32 -12.854   3.238   8.143
  249   HH22  ARG  32          HH22      ARG  32 -13.839   4.152   7.032
  250    H    VAL  33           H        VAL  33  -5.224   1.280   5.637
  251    HA   VAL  33           HA       VAL  33  -5.151  -1.104   7.401
  252    HB   VAL  33           HB       VAL  33  -4.543  -0.482   4.512
  253   HG11  VAL  33          HG11      VAL  33  -3.774  -3.035   5.964
  254   HG12  VAL  33          HG12      VAL  33  -3.826  -2.833   4.197
  255   HG13  VAL  33          HG13      VAL  33  -2.669  -1.890   5.149
  256   HG21  VAL  33          HG21      VAL  33  -6.860  -1.087   5.330
  257   HG22  VAL  33          HG22      VAL  33  -6.201  -2.247   4.149
  258   HG23  VAL  33          HG23      VAL  33  -6.206  -2.641   5.892
  259    H    PHE  34           H        PHE  34  -3.214   1.646   6.649
  260    HA   PHE  34           HA       PHE  34  -0.767   0.215   7.642
  261    HB2  PHE  34           HB2      PHE  34  -1.230   2.182   5.394
  262    HB3  PHE  34           HB3      PHE  34   0.310   2.192   6.221
  263    HD1  PHE  34           HD1      PHE  34   1.638   0.093   6.441
  264    HD2  PHE  34           HD2      PHE  34  -1.627   0.543   3.709
  265    HE1  PHE  34           HE1      PHE  34   2.496  -1.831   5.116
  266    HE2  PHE  34           HE2      PHE  34  -0.767  -1.333   2.340
  267    HZ   PHE  34           HZ       PHE  34   1.284  -2.560   3.067
  268    H    GLU  35           H        GLU  35  -2.612   3.317   7.608
  269    HA   GLU  35           HA       GLU  35  -0.762   4.490   9.364
  270    HB2  GLU  35           HB2      GLU  35  -2.239   6.340   9.518
  271    HB3  GLU  35           HB3      GLU  35  -2.600   5.613   7.952
  272    HG2  GLU  35           HG2      GLU  35  -4.711   6.027   8.792
  273    HG3  GLU  35           HG3      GLU  35  -4.462   4.326   9.207
  274    H    LYS  36           H        LYS  36  -3.112   2.060   9.799
  275    HA   LYS  36           HA       LYS  36  -4.099   2.567  12.382
  276    HB2  LYS  36           HB2      LYS  36  -4.693   0.192  12.379
  277    HB3  LYS  36           HB3      LYS  36  -5.005   0.908  10.785
  278    HG2  LYS  36           HG2      LYS  36  -2.723  -0.004  10.067
  279    HG3  LYS  36           HG3      LYS  36  -2.680  -0.874  11.615
  280    HD2  LYS  36           HD2      LYS  36  -4.628  -1.236   9.322
  281    HD3  LYS  36           HD3      LYS  36  -3.468  -2.410   9.983
  282    HE2  LYS  36           HE2      LYS  36  -4.785  -2.285  12.157
  283    HE3  LYS  36           HE3      LYS  36  -6.005  -1.342  11.258
  284    HZ1  LYS  36           HZ1      LYS  36  -6.244  -3.191   9.766
  285    HZ2  LYS  36           HZ2      LYS  36  -5.132  -4.073  10.603
  286    HZ3  LYS  36           HZ3      LYS  36  -6.557  -3.663  11.311
  287    H    TYR  37           H        TYR  37  -1.045   1.116  11.287
  288    HA   TYR  37           HA       TYR  37  -0.389   0.132  13.905
  289    HB2  TYR  37           HB2      TYR  37   1.324   0.672  11.445
  290    HB3  TYR  37           HB3      TYR  37   1.878  -0.197  12.882
  291    HD1  TYR  37           HD2      TYR  37   0.958  -2.417  13.447
  292    HD2  TYR  37           HD1      TYR  37  -0.165  -0.368   9.833
  293    HE1  TYR  37           HE2      TYR  37   0.046  -4.532  12.539
  294    HE2  TYR  37           HE1      TYR  37  -1.061  -2.476   8.907
  295    HH   TYR  37           HH       TYR  37  -1.421  -4.719   9.265
  296    H    GLY  38           H        GLY  38  -0.151   3.217  12.310
  297    HA2  GLY  38           HA2      GLY  38   0.602   4.528  14.755
  298    HA3  GLY  38           HA3      GLY  38   1.993   4.440  13.660
  299    H    ARG  39           H        ARG  39   1.475   5.158  11.303
  300    HA   ARG  39           HA       ARG  39  -0.766   6.880  10.840
  301    HB2  ARG  39           HB2      ARG  39   1.017   8.180  12.401
  302    HB3  ARG  39           HB3      ARG  39   1.844   8.396  10.852
  303    HG2  ARG  39           HG2      ARG  39   0.444  10.320  11.365
  304    HG3  ARG  39           HG3      ARG  39  -0.199   9.492   9.931
  305    HD2  ARG  39           HD2      ARG  39  -1.926   8.430  11.261
  306    HD3  ARG  39           HD3      ARG  39  -1.173   9.008  12.759
  307    HE   ARG  39           HE       ARG  39  -1.649  11.356  11.588
  308   HH11  ARG  39          HH11      ARG  39  -3.789   8.527  11.724
  309   HH12  ARG  39          HH12      ARG  39  -5.237   9.499  11.757
  310   HH21  ARG  39          HH21      ARG  39  -3.559  12.573  11.546
  311   HH22  ARG  39          HH22      ARG  39  -5.113  11.785  11.629
  312    H    VAL  40           H        VAL  40  -0.526   8.062   8.754
  313    HA   VAL  40           HA       VAL  40   1.491   6.837   6.946
  314    HB   VAL  40           HB       VAL  40  -1.512   7.135   6.539
  315   HG11  VAL  40          HG11      VAL  40   0.643   6.597   4.468
  316   HG12  VAL  40          HG12      VAL  40  -1.095   6.313   4.228
  317   HG13  VAL  40          HG13      VAL  40  -0.496   7.972   4.478
  318   HG21  VAL  40          HG21      VAL  40   0.260   4.782   5.847
  319   HG22  VAL  40          HG22      VAL  40  -0.327   4.991   7.502
  320   HG23  VAL  40          HG23      VAL  40  -1.487   4.806   6.144
  321    H    GLY  41           H        GLY  41   2.793   8.565   6.872
  322    HA2  GLY  41           HA2      GLY  41   2.066  11.296   6.775
  323    HA3  GLY  41           HA3      GLY  41   3.582  10.588   6.172
  324    H    ASP  42           H        ASP  42   2.091   8.827   4.215
  325    HA   ASP  42           HA       ASP  42   0.873  10.688   2.299
  326    HB2  ASP  42           HB2      ASP  42   3.622   9.418   1.992
  327    HB3  ASP  42           HB3      ASP  42   2.649   9.862   0.589
  328    H    VAL  43           H        VAL  43  -0.451   9.552   0.889
  329    HA   VAL  43           HA       VAL  43   0.051   6.701   0.448
  330    HB   VAL  43           HB       VAL  43  -1.579   7.278   2.525
  331   HG11  VAL  43          HG11      VAL  43  -3.492   6.915   0.190
  332   HG12  VAL  43          HG12      VAL  43  -3.909   6.895   1.911
  333   HG13  VAL  43          HG13      VAL  43  -3.323   8.393   1.172
  334   HG21  VAL  43          HG21      VAL  43  -1.754   4.954   0.628
  335   HG22  VAL  43          HG22      VAL  43  -0.789   5.126   2.137
  336   HG23  VAL  43          HG23      VAL  43  -2.543   5.026   2.228
  337    H    TYR  44           H        TYR  44   0.076   6.577  -1.714
  338    HA   TYR  44           HA       TYR  44  -2.257   7.606  -3.164
  339    HB2  TYR  44           HB2      TYR  44  -1.252   9.163  -4.510
  340    HB3  TYR  44           HB3      TYR  44  -0.528   9.506  -2.944
  341    HD1  TYR  44           HD1      TYR  44  -0.033   8.227  -6.334
  342    HD2  TYR  44           HD2      TYR  44   1.883   8.965  -2.564
  343    HE1  TYR  44           HE1      TYR  44   2.173   8.016  -7.434
  344    HE2  TYR  44           HE2      TYR  44   4.108   8.801  -3.654
  345    HH   TYR  44           HH       TYR  44   4.462   8.144  -7.167
  346    H    ILE  45           H        ILE  45  -2.117   7.046  -5.544
  347    HA   ILE  45           HA       ILE  45  -0.543   4.552  -5.937
  348    HB   ILE  45           HB       ILE  45  -3.435   5.166  -6.623
  349   HG12  ILE  45          HG12      ILE  45  -3.822   2.917  -5.719
  350   HG13  ILE  45          HG13      ILE  45  -2.092   2.736  -5.377
  351   HG21  ILE  45          HG21      ILE  45  -2.341   4.327  -8.680
  352   HG22  ILE  45          HG22      ILE  45  -1.634   2.978  -7.766
  353   HG23  ILE  45          HG23      ILE  45  -3.393   3.081  -7.986
  354   HD11  ILE  45          HD11      ILE  45  -3.692   5.004  -4.174
  355   HD12  ILE  45          HD12      ILE  45  -3.673   3.370  -3.440
  356   HD13  ILE  45          HD13      ILE  45  -2.170   4.283  -3.596
  357    HA   PRO  46           HA       PRO  46   0.871   7.059  -9.466
  358    HB2  PRO  46           HB2      PRO  46   2.934   5.433 -10.170
  359    HB3  PRO  46           HB3      PRO  46   3.008   6.530  -8.763
  360    HG2  PRO  46           HG2      PRO  46   2.326   3.574  -8.777
  361    HG3  PRO  46           HG3      PRO  46   3.475   4.461  -7.700
  362    HD2  PRO  46           HD2      PRO  46   0.933   3.835  -6.969
  363    HD3  PRO  46           HD3      PRO  46   1.731   5.348  -6.432
  364    H    ARG  47           H        ARG  47  -1.452   6.085 -10.006
  365    HA   ARG  47           HA       ARG  47  -1.592   3.702 -11.567
  366    HB2  ARG  47           HB2      ARG  47  -3.839   4.219 -11.904
  367    HB3  ARG  47           HB3      ARG  47  -3.489   4.978 -10.352
  368    HG2  ARG  47           HG2      ARG  47  -3.221   7.177 -11.534
  369    HG3  ARG  47           HG3      ARG  47  -3.647   6.349 -13.058
  370    HD2  ARG  47           HD2      ARG  47  -5.778   5.579 -11.939
  371    HD3  ARG  47           HD3      ARG  47  -5.395   6.672 -10.598
  372    HE   ARG  47           HE       ARG  47  -6.374   7.359 -13.261
  373   HH11  ARG  47          HH11      ARG  47  -4.655   8.599 -10.417
  374   HH12  ARG  47          HH12      ARG  47  -5.043  10.265 -10.779
  375   HH21  ARG  47          HH21      ARG  47  -6.864   9.525 -13.680
  376   HH22  ARG  47          HH22      ARG  47  -6.275  10.797 -12.626
  377    H    ASP  48           H        ASP  48  -2.875   4.194 -13.934
  378    HA   ASP  48           HA       ASP  48  -0.662   4.475 -15.615
  379    HB2  ASP  48           HB2      ASP  48  -2.956   3.343 -16.010
  380    HB3  ASP  48           HB3      ASP  48  -3.533   4.956 -16.453
  381    H    ARG  49           H        ARG  49  -2.831   6.924 -14.501
  382    HA   ARG  49           HA       ARG  49  -1.941   8.969 -13.957
  383    HB2  ARG  49           HB2      ARG  49   0.245   8.477 -15.037
  384    HB3  ARG  49           HB3      ARG  49  -0.417   9.090 -16.573
  385    HG2  ARG  49           HG2      ARG  49  -0.742  11.287 -15.650
  386    HG3  ARG  49           HG3      ARG  49  -0.489  10.689 -13.991
  387    HD2  ARG  49           HD2      ARG  49   1.520  11.842 -14.757
  388    HD3  ARG  49           HD3      ARG  49   1.825  10.112 -14.549
  389    HE   ARG  49           HE       ARG  49   2.174   9.884 -16.845
  390   HH11  ARG  49          HH11      ARG  49   0.812  13.065 -16.150
  391   HH12  ARG  49          HH12      ARG  49   1.095  13.674 -17.769
  392   HH21  ARG  49          HH21      ARG  49   2.520  10.698 -18.951
  393   HH22  ARG  49          HH22      ARG  49   2.052  12.333 -19.349
  394    H    TYR  50           H        TYR  50  -3.534   7.861 -16.809
  395    HA   TYR  50           HA       TYR  50  -5.120  10.349 -16.904
  396    HB2  TYR  50           HB2      TYR  50  -4.837  10.525 -19.332
  397    HB3  TYR  50           HB3      TYR  50  -3.311  10.736 -18.478
  398    HD1  TYR  50           HD1      TYR  50  -1.595   8.916 -18.489
  399    HD2  TYR  50           HD2      TYR  50  -5.151   8.734 -20.903
  400    HE1  TYR  50           HE1      TYR  50  -0.540   7.170 -19.893
  401    HE2  TYR  50           HE2      TYR  50  -4.096   6.996 -22.326
  402    HH   TYR  50           HH       TYR  50  -0.780   5.796 -21.710
  403    H    THR  51           H        THR  51  -5.361   7.290 -16.272
  404    HA   THR  51           HA       THR  51  -7.874   6.941 -17.819
  405    HB   THR  51           HB       THR  51  -7.392   4.692 -18.370
  406   HG21  THR  51          HG21      THR  51  -6.279   6.379 -19.849
  407   HG22  THR  51          HG22      THR  51  -4.801   6.214 -18.865
  408   HG23  THR  51          HG23      THR  51  -5.410   4.829 -19.788
  409    H    LYS  52           H        LYS  52  -8.758   4.587 -16.822
  410    HA   LYS  52           HA       LYS  52  -9.036   5.237 -13.944
  411    HB2  LYS  52           HB2      LYS  52 -10.957   3.948 -15.942
  412    HB3  LYS  52           HB3      LYS  52 -11.219   3.914 -14.199
  413    HG2  LYS  52           HG2      LYS  52 -12.521   5.687 -15.029
  414    HG3  LYS  52           HG3      LYS  52 -11.179   6.400 -14.130
  415    HD2  LYS  52           HD2      LYS  52 -10.045   6.984 -16.229
  416    HD3  LYS  52           HD3      LYS  52 -11.292   6.116 -17.165
  417    HE2  LYS  52           HE2      LYS  52 -13.009   7.663 -16.287
  418    HE3  LYS  52           HE3      LYS  52 -11.774   8.519 -15.350
  419    HZ1  LYS  52           HZ1      LYS  52 -10.689   9.098 -17.407
  420    HZ2  LYS  52           HZ2      LYS  52 -11.827   8.289 -18.280
  421    HZ3  LYS  52           HZ3      LYS  52 -12.252   9.618 -17.423
  422    H    GLU  53           H        GLU  53  -6.935   3.532 -15.257
  423    HA   GLU  53           HA       GLU  53  -7.298   1.251 -13.379
  424    HB2  GLU  53           HB2      GLU  53  -6.236  -0.260 -14.967
  425    HB3  GLU  53           HB3      GLU  53  -7.726   0.415 -15.653
  426    HG2  GLU  53           HG2      GLU  53  -6.421   2.043 -16.952
  427    HG3  GLU  53           HG3      GLU  53  -4.917   1.425 -16.241
  428    H    SER  54           H        SER  54  -4.918   0.154 -13.196
  429    HA   SER  54           HA       SER  54  -3.050   2.435 -12.832
  430    HB2  SER  54           HB2      SER  54  -2.646   1.785 -10.536
  431    HB3  SER  54           HB3      SER  54  -4.386   2.014 -10.751
  432    HG   SER  54           HG       SER  54  -3.877   0.079  -9.639
  433    H    ARG  55           H        ARG  55  -0.897   1.677 -12.029
  434    HA   ARG  55           HA       ARG  55   0.156  -0.191 -13.983
  435    HB2  ARG  55           HB2      ARG  55   1.364   1.448 -11.721
  436    HB3  ARG  55           HB3      ARG  55   2.326   0.510 -12.896
  437    HG2  ARG  55           HG2      ARG  55   0.330   2.664 -13.682
  438    HG3  ARG  55           HG3      ARG  55   2.049   2.992 -13.415
  439    HD2  ARG  55           HD2      ARG  55   2.705   1.497 -15.196
  440    HD3  ARG  55           HD3      ARG  55   1.051   0.897 -15.384
  441    HE   ARG  55           HE       ARG  55   0.463   2.782 -16.587
  442   HH11  ARG  55          HH11      ARG  55   3.686   3.259 -15.202
  443   HH12  ARG  55          HH12      ARG  55   3.984   4.707 -16.137
  444   HH21  ARG  55          HH21      ARG  55   0.865   4.632 -17.752
  445   HH22  ARG  55          HH22      ARG  55   2.386   5.490 -17.598
  446    H    GLY  56           H        GLY  56  -1.175  -0.624 -10.894
  447    HA2  GLY  56           HA2      GLY  56  -1.499  -2.812 -10.033
  448    HA3  GLY  56           HA3      GLY  56  -0.015  -3.362 -10.830
  449    H    PHE  57           H        PHE  57   0.258  -0.325  -9.089
  450    HA   PHE  57           HA       PHE  57   1.053  -1.608  -6.563
  451    HB2  PHE  57           HB2      PHE  57   3.254  -0.941  -6.590
  452    HB3  PHE  57           HB3      PHE  57   3.014  -1.836  -8.097
  453    HD1  PHE  57           HD1      PHE  57   2.601  -0.306 -10.239
  454    HD2  PHE  57           HD2      PHE  57   4.276   1.077  -6.538
  455    HE1  PHE  57           HE1      PHE  57   3.627   1.636 -11.422
  456    HE2  PHE  57           HE2      PHE  57   5.311   3.011  -7.721
  457    HZ   PHE  57           HZ       PHE  57   4.942   3.305 -10.151
  458    H    ALA  58           H        ALA  58   1.447  -0.092  -4.895
  459    HA   ALA  58           HA       ALA  58   0.202   2.568  -5.386
  460    HB1  ALA  58           HB1      ALA  58  -1.073   1.177  -3.822
  461    HB2  ALA  58           HB2      ALA  58   0.401   0.851  -2.878
  462    HB3  ALA  58           HB3      ALA  58  -0.299   2.488  -2.938
  463    H    PHE  59           H        PHE  59   1.026   3.737  -3.020
  464    HA   PHE  59           HA       PHE  59   3.879   3.536  -2.569
  465    HB2  PHE  59           HB2      PHE  59   3.150   4.972  -4.821
  466    HB3  PHE  59           HB3      PHE  59   3.053   6.224  -3.605
  467    HD1  PHE  59           HD1      PHE  59   5.409   5.627  -1.844
  468    HD2  PHE  59           HD2      PHE  59   4.962   5.309  -6.117
  469    HE1  PHE  59           HE1      PHE  59   7.843   5.963  -2.130
  470    HE2  PHE  59           HE2      PHE  59   7.403   5.615  -6.391
  471    HZ   PHE  59           HZ       PHE  59   8.846   5.947  -4.395
  472    H    VAL  60           H        VAL  60   2.386   2.931  -0.705
  473    HA   VAL  60           HA       VAL  60   1.591   5.411   0.667
  474    HB   VAL  60           HB       VAL  60   0.955   4.330   2.436
  475   HG11  VAL  60          HG11      VAL  60  -0.364   3.353   0.713
  476   HG12  VAL  60          HG12      VAL  60   0.774   2.039   0.460
  477   HG13  VAL  60          HG13      VAL  60  -0.103   2.171   2.010
  478   HG21  VAL  60          HG21      VAL  60   2.926   3.626   3.378
  479   HG22  VAL  60          HG22      VAL  60   1.828   2.260   3.436
  480   HG23  VAL  60          HG23      VAL  60   3.147   2.311   2.208
  481    H    ARG  61           H        ARG  61   2.900   6.648   2.030
  482    HA   ARG  61           HA       ARG  61   5.651   5.654   2.508
  483    HB2  ARG  61           HB2      ARG  61   6.229   6.962   0.735
  484    HB3  ARG  61           HB3      ARG  61   4.871   8.092   0.942
  485    HG2  ARG  61           HG2      ARG  61   5.993   9.090   2.904
  486    HG3  ARG  61           HG3      ARG  61   7.311   7.897   2.758
  487    HD2  ARG  61           HD2      ARG  61   7.667   8.792   0.389
  488    HD3  ARG  61           HD3      ARG  61   6.573  10.122   0.813
  489    HE   ARG  61           HE       ARG  61   9.330   9.671   1.720
  490   HH11  ARG  61          HH11      ARG  61   6.324  11.466   2.373
  491   HH12  ARG  61          HH12      ARG  61   7.151  12.687   3.298
  492   HH21  ARG  61          HH21      ARG  61  10.336  11.281   2.928
  493   HH22  ARG  61          HH22      ARG  61   9.394  12.581   3.624
  494    H    PHE  62           H        PHE  62   6.504   5.961   4.225
  495    HA   PHE  62           HA       PHE  62   4.787   7.257   6.336
  496    HB2  PHE  62           HB2      PHE  62   6.729   4.969   6.406
  497    HB3  PHE  62           HB3      PHE  62   6.287   5.867   7.860
  498    HD1  PHE  62           HD1      PHE  62   3.956   5.020   5.014
  499    HD2  PHE  62           HD2      PHE  62   5.137   4.302   9.093
  500    HE1  PHE  62           HE1      PHE  62   1.868   3.798   5.377
  501    HE2  PHE  62           HE2      PHE  62   3.077   2.975   9.443
  502    HZ   PHE  62           HZ       PHE  62   1.449   2.711   7.625
  503    H    HIS  63           H        HIS  63   5.500   8.801   7.556
  504    HA   HIS  63           HA       HIS  63   7.913  10.275   6.867
  505    HB2  HIS  63           HB2      HIS  63   6.901  11.854   8.576
  506    HB3  HIS  63           HB3      HIS  63   5.823  11.452   7.229
  507    HD2  HIS  63           HD2      HIS  63   3.531  11.812   8.591
  508    HE1  HIS  63           HE1      HIS  63   4.114   8.741  11.474
  509    HE2  HIS  63           HE2      HIS  63   2.449  10.431  10.527
  510    H    ASP  64           H        ASP  64   7.284   7.662   8.892
  511    HA   ASP  64           HA       ASP  64   9.610   8.255  10.598
  512    HB2  ASP  64           HB2      ASP  64   7.573   9.131  11.766
  513    HB3  ASP  64           HB3      ASP  64   6.903   7.493  11.749
  514    H    LYS  65           H        LYS  65  10.854   6.554  10.323
  515    HA   LYS  65           HA       LYS  65  10.117   4.126   9.140
  516    HB2  LYS  65           HB2      LYS  65  12.356   3.407   9.666
  517    HB3  LYS  65           HB3      LYS  65  12.385   5.132   9.266
  518    HG2  LYS  65           HG2      LYS  65  12.145   5.475  11.868
  519    HG3  LYS  65           HG3      LYS  65  12.706   3.792  11.958
  520    HD2  LYS  65           HD2      LYS  65  14.128   6.141  10.626
  521    HD3  LYS  65           HD3      LYS  65  14.583   5.364  12.158
  522    HE2  LYS  65           HE2      LYS  65  15.064   3.274  10.967
  523    HE3  LYS  65           HE3      LYS  65  14.531   3.990   9.432
  524    HZ1  LYS  65           HZ1      LYS  65  16.919   4.058   9.669
  525    HZ2  LYS  65           HZ2      LYS  65  16.298   5.567   9.590
  526    HZ3  LYS  65           HZ3      LYS  65  16.800   4.966  11.040
  527    H    ARG  66           H        ARG  66   9.830   5.069  12.535
  528    HA   ARG  66           HA       ARG  66   9.895   2.370  13.586
  529    HB2  ARG  66           HB2      ARG  66   8.649   4.921  14.697
  530    HB3  ARG  66           HB3      ARG  66   8.962   3.429  15.612
  531    HG2  ARG  66           HG2      ARG  66  11.037   5.270  14.353
  532    HG3  ARG  66           HG3      ARG  66  10.706   5.046  16.080
  533    HD2  ARG  66           HD2      ARG  66  11.379   2.648  15.864
  534    HD3  ARG  66           HD3      ARG  66  11.789   2.948  14.159
  535    HE   ARG  66           HE       ARG  66  13.104   4.753  16.039
  536   HH11  ARG  66          HH11      ARG  66  13.305   1.644  14.360
  537   HH12  ARG  66          HH12      ARG  66  15.040   1.535  14.524
  538   HH21  ARG  66          HH21      ARG  66  15.366   4.582  16.238
  539   HH22  ARG  66          HH22      ARG  66  16.200   3.189  15.579
  540    H    ASP  67           H        ASP  67   7.230   4.640  12.729
  541    HA   ASP  67           HA       ASP  67   5.138   2.756  13.316
  542    HB2  ASP  67           HB2      ASP  67   5.223   5.146  11.427
  543    HB3  ASP  67           HB3      ASP  67   3.754   4.288  11.918
  544    H    ALA  68           H        ALA  68   7.311   3.289  10.594
  545    HA   ALA  68           HA       ALA  68   5.783   1.719   8.696
  546    HB1  ALA  68           HB1      ALA  68   7.284   3.537   8.009
  547    HB2  ALA  68           HB2      ALA  68   8.661   2.716   8.774
  548    HB3  ALA  68           HB3      ALA  68   7.881   1.980   7.369
  549    H    GLU  69           H        GLU  69   8.411   1.097  11.069
  550    HA   GLU  69           HA       GLU  69   9.280  -1.406  10.065
  551    HB2  GLU  69           HB2      GLU  69   9.282  -0.017  12.744
  552    HB3  GLU  69           HB3      GLU  69   9.599  -1.749  12.691
  553    HG2  GLU  69           HG2      GLU  69  11.401  -1.334  10.993
  554    HG3  GLU  69           HG3      GLU  69  11.127   0.400  11.147
  555    H    ASP  70           H        ASP  70   6.741  -0.608  12.520
  556    HA   ASP  70           HA       ASP  70   6.158  -3.406  12.915
  557    HB2  ASP  70           HB2      ASP  70   4.419  -0.995  13.545
  558    HB3  ASP  70           HB3      ASP  70   4.263  -2.637  14.201
  559    H    ALA  71           H        ALA  71   4.604  -0.795  10.955
  560    HA   ALA  71           HA       ALA  71   2.391  -2.335  10.099
  561    HB1  ALA  71           HB1      ALA  71   3.892  -0.123   8.618
  562    HB2  ALA  71           HB2      ALA  71   2.230  -0.671   8.291
  563    HB3  ALA  71           HB3      ALA  71   2.619   0.134   9.825
  564    H    MET  72           H        MET  72   5.647  -1.888   8.593
  565    HA   MET  72           HA       MET  72   5.145  -3.546   6.322
  566    HB2  MET  72           HB2      MET  72   6.953  -1.959   6.354
  567    HB3  MET  72           HB3      MET  72   7.623  -2.649   7.837
  568    HG2  MET  72           HG2      MET  72   8.388  -4.589   6.769
  569    HG3  MET  72           HG3      MET  72   7.424  -4.302   5.319
  570    HE1  MET  72           HE1      MET  72  10.089  -2.536   7.604
  571    HE2  MET  72           HE2      MET  72  10.857  -1.406   6.457
  572    HE3  MET  72           HE3      MET  72   9.158  -1.178   6.909
  573    H    ASP  73           H        ASP  73   6.469  -4.229   9.591
  574    HA   ASP  73           HA       ASP  73   7.005  -6.991   8.985
  575    HB2  ASP  73           HB2      ASP  73   8.164  -5.654  10.755
  576    HB3  ASP  73           HB3      ASP  73   6.658  -5.621  11.679
  577    H    ALA  74           H        ALA  74   4.100  -5.371   9.218
  578    HA   ALA  74           HA       ALA  74   2.680  -7.864   9.981
  579    HB1  ALA  74           HB1      ALA  74   1.952  -4.996  10.677
  580    HB2  ALA  74           HB2      ALA  74   0.973  -6.428  11.053
  581    HB3  ALA  74           HB3      ALA  74   2.574  -6.226  11.805
  582    H    MET  75           H        MET  75   3.430  -6.063   7.368
  583    HA   MET  75           HA       MET  75   0.758  -6.539   6.135
  584    HB2  MET  75           HB2      MET  75   2.380  -3.980   6.079
  585    HB3  MET  75           HB3      MET  75   1.221  -4.376   4.821
  586    HG2  MET  75           HG2      MET  75   0.570  -4.198   7.781
  587    HG3  MET  75           HG3      MET  75   0.218  -2.966   6.561
  588    HE1  MET  75           HE1      MET  75  -0.505  -5.246   4.147
  589    HE2  MET  75           HE2      MET  75  -2.266  -4.981   4.196
  590    HE3  MET  75           HE3      MET  75  -1.147  -3.597   4.317
  591    H    ASP  76           H        ASP  76   4.293  -6.680   5.781
  592    HA   ASP  76           HA       ASP  76   4.244  -6.777   2.920
  593    HB2  ASP  76           HB2      ASP  76   6.282  -6.336   4.260
  594    HB3  ASP  76           HB3      ASP  76   6.250  -8.004   4.846
  595    H    GLY  77           H        GLY  77   3.350  -8.267   1.661
  596    HA2  GLY  77           HA2      GLY  77   2.602 -10.247   0.859
  597    HA3  GLY  77           HA3      GLY  77   3.639 -11.094   2.041
  598    H    ALA  78           H        ALA  78   1.156  -8.726   2.925
  599    HA   ALA  78           HA       ALA  78  -0.127 -10.734   4.632
  600    HB1  ALA  78           HB1      ALA  78  -0.584  -7.743   4.291
  601    HB2  ALA  78           HB2      ALA  78  -1.301  -8.763   5.567
  602    HB3  ALA  78           HB3      ALA  78   0.455  -8.509   5.516
  603    H    VAL  79           H        VAL  79  -0.432 -10.124   1.499
  604    HA   VAL  79           HA       VAL  79  -2.161  -9.934  -0.043
  605    HB   VAL  79           HB       VAL  79  -1.618 -12.213  -0.011
  606   HG11  VAL  79          HG11      VAL  79  -2.697 -13.870   1.469
  607   HG12  VAL  79          HG12      VAL  79  -1.695 -12.703   2.352
  608   HG13  VAL  79          HG13      VAL  79  -3.480 -12.547   2.368
  609   HG21  VAL  79          HG21      VAL  79  -3.485 -11.571  -1.314
  610   HG22  VAL  79          HG22      VAL  79  -3.557 -13.263  -0.773
  611   HG23  VAL  79          HG23      VAL  79  -4.605 -12.050   0.000
  612    H    LEU  80           H        LEU  80  -3.002  -7.978   0.844
  613    HA   LEU  80           HA       LEU  80  -5.323  -7.839   2.451
  614    HB2  LEU  80           HB2      LEU  80  -3.917  -5.993   2.227
  615    HB3  LEU  80           HB3      LEU  80  -3.830  -6.108   0.473
  616    HG   LEU  80           HG       LEU  80  -6.450  -5.377   1.796
  617   HD11  LEU  80          HD11      LEU  80  -5.748  -3.015   1.524
  618   HD12  LEU  80          HD12      LEU  80  -4.733  -3.881   2.704
  619   HD13  LEU  80          HD13      LEU  80  -4.112  -3.558   1.071
  620   HD21  LEU  80          HD21      LEU  80  -6.718  -4.176  -0.375
  621   HD22  LEU  80          HD22      LEU  80  -5.086  -4.715  -0.865
  622   HD23  LEU  80          HD23      LEU  80  -6.388  -5.893  -0.673
  623    H    ASP  81           H        ASP  81  -4.974  -8.945  -0.836
  624    HA   ASP  81           HA       ASP  81  -7.941  -8.894  -1.080
  625    HB2  ASP  81           HB2      ASP  81  -7.115  -6.959  -2.355
  626    HB3  ASP  81           HB3      ASP  81  -5.971  -7.987  -3.221
  627    H    GLY  82           H        GLY  82  -4.891 -10.135  -2.544
  628    HA2  GLY  82           HA2      GLY  82  -5.131 -12.766  -2.147
  629    HA3  GLY  82           HA3      GLY  82  -6.319 -12.565  -3.463
  630    H    ARG  83           H        ARG  83  -3.364 -10.652  -3.177
  631    HA   ARG  83           HA       ARG  83  -2.048 -12.259  -5.310
  632    HB2  ARG  83           HB2      ARG  83  -1.383 -10.027  -6.327
  633    HB3  ARG  83           HB3      ARG  83  -3.091 -10.478  -6.513
  634    HG2  ARG  83           HG2      ARG  83  -3.826  -8.978  -4.850
  635    HG3  ARG  83           HG3      ARG  83  -2.190  -8.755  -4.182
  636    HD2  ARG  83           HD2      ARG  83  -2.974  -6.842  -5.571
  637    HD3  ARG  83           HD3      ARG  83  -1.465  -7.589  -6.130
  638    HE   ARG  83           HE       ARG  83  -4.168  -8.075  -7.354
  639   HH11  ARG  83          HH11      ARG  83  -0.643  -7.773  -7.708
  640   HH12  ARG  83          HH12      ARG  83  -0.684  -8.069  -9.425
  641   HH21  ARG  83          HH21      ARG  83  -4.174  -8.424  -9.590
  642   HH22  ARG  83          HH22      ARG  83  -2.675  -8.416 -10.492
  643    H    GLU  84           H        GLU  84  -1.835 -10.255  -2.483
  644    HA   GLU  84           HA       GLU  84  -0.408 -10.737  -0.764
  645    HB2  GLU  84           HB2      GLU  84   0.763 -12.492  -2.591
  646    HB3  GLU  84           HB3      GLU  84   2.078 -11.380  -2.134
  647    HG2  GLU  84           HG2      GLU  84   1.293 -11.792   0.295
  648    HG3  GLU  84           HG3      GLU  84   0.275 -13.072  -0.363
  649    H    LEU  85           H        LEU  85  -0.594  -8.629  -0.293
  650    HA   LEU  85           HA       LEU  85   0.394  -6.380  -1.482
  651    HB2  LEU  85           HB2      LEU  85  -1.000  -7.018   0.708
  652    HB3  LEU  85           HB3      LEU  85   0.532  -6.750   1.508
  653    HG   LEU  85           HG       LEU  85  -0.976  -4.829   1.607
  654   HD11  LEU  85          HD11      LEU  85   0.521  -3.088   1.052
  655   HD12  LEU  85          HD12      LEU  85   1.517  -4.482   1.514
  656   HD13  LEU  85          HD13      LEU  85   1.307  -4.039  -0.216
  657   HD21  LEU  85          HD21      LEU  85  -0.668  -4.599  -1.411
  658   HD22  LEU  85          HD22      LEU  85  -2.120  -5.213  -0.584
  659   HD23  LEU  85          HD23      LEU  85  -1.595  -3.532  -0.344
  660    H    ARG  86           H        ARG  86   2.300  -5.040  -1.084
  661    HA   ARG  86           HA       ARG  86   4.696  -6.549  -0.134
  662    HB2  ARG  86           HB2      ARG  86   4.395  -4.802  -2.612
  663    HB3  ARG  86           HB3      ARG  86   5.944  -5.402  -1.994
  664    HG2  ARG  86           HG2      ARG  86   3.619  -7.139  -2.916
  665    HG3  ARG  86           HG3      ARG  86   5.065  -6.756  -3.868
  666    HD2  ARG  86           HD2      ARG  86   6.496  -7.807  -2.142
  667    HD3  ARG  86           HD3      ARG  86   5.062  -8.198  -1.182
  668    HE   ARG  86           HE       ARG  86   5.492  -9.278  -3.943
  669   HH11  ARG  86          HH11      ARG  86   4.612  -9.736  -0.541
  670   HH12  ARG  86          HH12      ARG  86   4.252 -11.435  -0.754
  671   HH21  ARG  86          HH21      ARG  86   5.000 -11.496  -4.174
  672   HH22  ARG  86          HH22      ARG  86   4.478 -12.421  -2.786
  673    H    VAL  87           H        VAL  87   5.982  -5.449   1.227
  674    HA   VAL  87           HA       VAL  87   5.682  -2.500   1.358
  675    HB   VAL  87           HB       VAL  87   5.714  -4.280   3.831
  676   HG11  VAL  87          HG11      VAL  87   5.207  -1.325   3.306
  677   HG12  VAL  87          HG12      VAL  87   4.889  -2.120   4.865
  678   HG13  VAL  87          HG13      VAL  87   6.544  -2.061   4.201
  679   HG21  VAL  87          HG21      VAL  87   3.301  -3.679   4.076
  680   HG22  VAL  87          HG22      VAL  87   3.315  -3.112   2.385
  681   HG23  VAL  87          HG23      VAL  87   3.639  -4.812   2.756
  682    H    GLN  88           H        GLN  88   7.488  -1.414   1.742
  683    HA   GLN  88           HA       GLN  88   9.922  -2.545   2.826
  684    HB2  GLN  88           HB2      GLN  88  11.182  -2.327   0.649
  685    HB3  GLN  88           HB3      GLN  88  10.058  -3.700   0.712
  686    HG2  GLN  88           HG2      GLN  88   8.399  -2.476  -0.588
  687    HG3  GLN  88           HG3      GLN  88   9.393  -1.020  -0.571
  688   HE21  GLN  88          HE22      GLN  88   8.378  -2.553  -2.888
  689   HE22  GLN  88          HE21      GLN  88   9.792  -3.068  -3.787
  690    H    MET  89           H        MET  89  11.489  -0.953   3.147
  691    HA   MET  89           HA       MET  89  10.742   1.725   3.383
  692    HB2  MET  89           HB2      MET  89  13.423   0.357   3.068
  693    HB3  MET  89           HB3      MET  89  13.263   2.094   3.432
  694    HG2  MET  89           HG2      MET  89  11.774  -0.009   5.030
  695    HG3  MET  89           HG3      MET  89  13.425   0.430   5.435
  696    HE1  MET  89           HE1      MET  89  10.813   2.088   8.042
  697    HE2  MET  89           HE2      MET  89  10.359   0.741   6.971
  698    HE3  MET  89           HE3      MET  89  11.944   0.733   7.791
  699    H    ALA  90           H        ALA  90  10.813   3.502   2.096
  700    HA   ALA  90           HA       ALA  90  10.772   3.090  -0.774
  701    HB1  ALA  90           HB1      ALA  90  10.576   5.627   0.892
  702    HB2  ALA  90           HB2      ALA  90  10.167   5.459  -0.838
  703    HB3  ALA  90           HB3      ALA  90   9.209   4.614   0.384
  704    H    ARG  91           H        ARG  91  13.364   3.313   1.267
  705    HA   ARG  91           HA       ARG  91  15.541   3.840   1.030
  706    HB2  ARG  91           HB2      ARG  91  15.210   2.513  -1.040
  707    HB3  ARG  91           HB3      ARG  91  14.953   4.011  -1.947
  708    HG2  ARG  91           HG2      ARG  91  17.405   4.173  -0.378
  709    HG3  ARG  91           HG3      ARG  91  17.409   2.714  -1.383
  710    HD2  ARG  91           HD2      ARG  91  16.913   4.018  -3.383
  711    HD3  ARG  91           HD3      ARG  91  16.770   5.500  -2.437
  712    HE   ARG  91           HE       ARG  91  19.232   4.163  -3.275
  713   HH11  ARG  91          HH11      ARG  91  17.809   6.460  -0.992
  714   HH12  ARG  91          HH12      ARG  91  19.331   7.260  -0.673
  715   HH21  ARG  91          HH21      ARG  91  21.193   5.223  -2.849
  716   HH22  ARG  91          HH22      ARG  91  21.242   6.556  -1.723
  717    H    TYR  92           H        TYR  92  13.447   6.021   1.326
  718    HA   TYR  92           HA       TYR  92  15.214   8.299   0.551
  719    HB2  TYR  92           HB2      TYR  92  12.186   8.317   0.693
  720    HB3  TYR  92           HB3      TYR  92  13.235   9.622   0.153
  721    HD1  TYR  92           HD2      TYR  92  15.062   8.408  -1.754
  722    HD2  TYR  92           HD1      TYR  92  10.897   7.586  -1.069
  723    HE1  TYR  92           HE2      TYR  92  14.845   7.570  -4.082
  724    HE2  TYR  92           HE1      TYR  92  10.685   6.679  -3.370
  725    HH   TYR  92           HH       TYR  92  11.747   6.287  -5.356
  726    H    GLY  93           H        GLY  93  14.566  10.307   1.925
  727    HA2  GLY  93           HA2      GLY  93  13.308  10.093   4.420
  728    HA3  GLY  93           HA3      GLY  93  15.003   9.647   4.676
  729    H    ARG  94           H        ARG  94  15.100  11.757   2.109
  730    HA   ARG  94           HA       ARG  94  14.949  14.250   3.660
  731    HB2  ARG  94           HB2      ARG  94  17.214  13.153   4.095
  732    HB3  ARG  94           HB3      ARG  94  17.543  13.316   2.362
  733    HG2  ARG  94           HG2      ARG  94  18.591  15.163   3.441
  734    HG3  ARG  94           HG3      ARG  94  17.153  15.827   2.642
  735    HD2  ARG  94           HD2      ARG  94  15.932  15.800   4.779
  736    HD3  ARG  94           HD3      ARG  94  17.285  14.990   5.575
  737    HE   ARG  94           HE       ARG  94  17.075  17.831   4.886
  738   HH11  ARG  94          HH11      ARG  94  19.274  15.185   5.758
  739   HH12  ARG  94          HH12      ARG  94  20.515  16.293   6.321
  740   HH21  ARG  94          HH21      ARG  94  18.746  19.206   5.641
  741   HH22  ARG  94          HH22      ARG  94  20.216  18.494   6.278
  742    HA   PRO  95           HA       PRO  95  13.810  15.197  -0.586
  743    HB2  PRO  95           HB2      PRO  95  13.122  17.825  -0.300
  744    HB3  PRO  95           HB3      PRO  95  12.122  16.493   0.369
  745    HG2  PRO  95           HG2      PRO  95  14.193  18.176   1.801
  746    HG3  PRO  95           HG3      PRO  95  12.519  17.793   2.327
  747    HD2  PRO  95           HD2      PRO  95  14.699  16.402   3.211
  748    HD3  PRO  95           HD3      PRO  95  13.123  15.598   2.930
  749    HA   PRO  96           HA       PRO  96  17.553  17.080  -2.129
  750    HB2  PRO  96           HB2      PRO  96  16.853  17.666  -4.682
  751    HB3  PRO  96           HB3      PRO  96  16.940  15.970  -4.105
  752    HG2  PRO  96           HG2      PRO  96  14.479  17.734  -4.324
  753    HG3  PRO  96           HG3      PRO  96  14.694  16.061  -4.935
  754    HD2  PRO  96           HD2      PRO  96  13.508  16.608  -2.531
  755    HD3  PRO  96           HD3      PRO  96  14.528  15.155  -2.771
  756    H    ASP  97           H        ASP  97  18.479  19.120  -2.624
  757    HA   ASP  97           HA       ASP  97  16.839  21.450  -3.124
  758    HB2  ASP  97           HB2      ASP  97  16.658  21.025  -0.590
  759    HB3  ASP  97           HB3      ASP  97  18.390  21.387  -0.505
  760    H    SER  98           H        SER  98  18.446  23.481  -2.861
  761    HA   SER  98           HA       SER  98  20.622  23.112  -4.641
  762    HB2  SER  98           HB2      SER  98  20.022  25.325  -2.648
  763    HB3  SER  98           HB3      SER  98  21.161  25.446  -4.014
  764    HG   SER  98           HG       SER  98  19.092  26.270  -4.544
  765    H    HIS  99           H        HIS  99  20.415  22.415  -1.274
  766    HA   HIS  99           HA       HIS  99  23.251  21.726  -1.157
  767    HB2  HIS  99           HB2      HIS  99  23.732  23.085   0.803
  768    HB3  HIS  99           HB3      HIS  99  23.292  24.120  -0.555
  769    HD2  HIS  99           HD2      HIS  99  21.052  25.552  -0.366
  770    HE1  HIS  99           HE1      HIS  99  20.060  24.530   3.641
  771    HE2  HIS  99           HE2      HIS  99  19.510  26.071   1.684
  772    H    HIS 100           H        HIS 100  23.676  20.939   1.262
  773    HA   HIS 100           HA       HIS 100  21.274  19.781   2.509
  774    HB2  HIS 100           HB2      HIS 100  22.142  17.502   2.390
  775    HB3  HIS 100           HB3      HIS 100  21.858  18.142   0.772
  776    HD2  HIS 100           HD2      HIS 100  24.681  17.025   3.115
  777    HE1  HIS 100           HE1      HIS 100  26.478  17.755  -0.671
  778    HE2  HIS 100           HE2      HIS 100  26.858  16.819   1.669
  779    H    SER 101           H        SER 101  21.835  18.630   4.538
  780    HA   SER 101           HA       SER 101  24.418  19.304   5.785
  781    HB2  SER 101           HB2      SER 101  21.737  20.280   6.854
  782    HB3  SER 101           HB3      SER 101  23.275  20.332   7.735
  783    HG   SER 101           HG       SER 101  22.800  22.305   6.664
  Start of MODEL    6
    1    H    MET   1           H1       MET   1   2.230 -16.604   0.575
    2    HA   MET   1           HA       MET   1   0.550 -15.454   1.724
    3    HB2  MET   1           HB2      MET   1  -0.699 -16.510   3.533
    4    HB3  MET   1           HB3      MET   1  -0.998 -17.342   1.999
    5    HG2  MET   1           HG2      MET   1   0.645 -19.088   2.639
    6    HG3  MET   1           HG3      MET   1   0.900 -18.270   4.188
    7    HE1  MET   1           HE1      MET   1   0.466 -20.510   5.461
    8    HE2  MET   1           HE2      MET   1  -0.979 -21.521   5.237
    9    HE3  MET   1           HE3      MET   1   0.198 -21.352   3.917
   10    H    SER   2           H        SER   2   1.101 -14.239   3.512
   11    HA   SER   2           HA       SER   2   3.240 -15.188   5.311
   12    HB2  SER   2           HB2      SER   2   3.498 -12.723   3.535
   13    HB3  SER   2           HB3      SER   2   4.605 -13.178   4.848
   14    HG   SER   2           HG       SER   2   5.314 -13.866   2.760
   15    H    TYR   3           H        TYR   3   3.832 -12.868   6.579
   16    HA   TYR   3           HA       TYR   3   1.233 -11.707   7.471
   17    HB2  TYR   3           HB2      TYR   3   2.113 -12.032   9.829
   18    HB3  TYR   3           HB3      TYR   3   1.608 -13.498   8.984
   19    HD1  TYR   3           HD1      TYR   3   4.727 -11.474   9.735
   20    HD2  TYR   3           HD2      TYR   3   3.015 -15.328   8.856
   21    HE1  TYR   3           HE1      TYR   3   6.910 -12.535  10.154
   22    HE2  TYR   3           HE2      TYR   3   5.215 -16.402   9.282
   23    HH   TYR   3           HH       TYR   3   8.101 -14.502  10.220
   24    H    GLY   4           H        GLY   4   4.601 -11.376   6.766
   25    HA2  GLY   4           HA2      GLY   4   4.954  -8.772   6.454
   26    HA3  GLY   4           HA3      GLY   4   4.887  -8.818   8.218
   27    H    ARG   5           H        ARG   5   7.215  -7.920   7.184
   28    HA   ARG   5           HA       ARG   5   9.055 -10.064   8.014
   29    HB2  ARG   5           HB2      ARG   5   9.211  -8.519   5.382
   30    HB3  ARG   5           HB3      ARG   5  10.594  -9.375   6.066
   31    HG2  ARG   5           HG2      ARG   5   7.964 -10.680   5.263
   32    HG3  ARG   5           HG3      ARG   5   9.451 -10.675   4.312
   33    HD2  ARG   5           HD2      ARG   5  10.635 -11.808   6.192
   34    HD3  ARG   5           HD3      ARG   5   9.105 -11.924   7.072
   35    HE   ARG   5           HE       ARG   5   9.884 -13.391   4.614
   36   HH11  ARG   5          HH11      ARG   5   7.394 -12.752   7.040
   37   HH12  ARG   5          HH12      ARG   5   6.528 -14.235   6.702
   38   HH21  ARG   5          HH21      ARG   5   8.706 -15.277   4.158
   39   HH22  ARG   5          HH22      ARG   5   7.244 -15.627   5.047
   40    HA   PRO   6           HA       PRO   6  10.915  -6.674  10.100
   41    HB2  PRO   6           HB2      PRO   6  13.525  -7.453  10.344
   42    HB3  PRO   6           HB3      PRO   6  12.178  -8.274  11.195
   43    HG2  PRO   6           HG2      PRO   6  13.492  -9.068   8.579
   44    HG3  PRO   6           HG3      PRO   6  13.168 -10.102  10.010
   45    HD2  PRO   6           HD2      PRO   6  11.495 -10.044   7.865
   46    HD3  PRO   6           HD3      PRO   6  10.845 -10.165   9.535
   47    HA   PRO   7           HA       PRO   7  12.760  -3.896   7.168
   48    HB2  PRO   7           HB2      PRO   7  14.199  -2.198   8.749
   49    HB3  PRO   7           HB3      PRO   7  12.413  -2.283   8.844
   50    HG2  PRO   7           HG2      PRO   7  14.445  -3.716  10.582
   51    HG3  PRO   7           HG3      PRO   7  13.058  -2.722  11.126
   52    HD2  PRO   7           HD2      PRO   7  12.878  -5.421  10.970
   53    HD3  PRO   7           HD3      PRO   7  11.504  -4.386  10.480
   54    HA   PRO   8           HA       PRO   8  17.040  -5.132   6.475
   55    HB2  PRO   8           HB2      PRO   8  17.919  -3.289   4.726
   56    HB3  PRO   8           HB3      PRO   8  16.493  -4.286   4.328
   57    HG2  PRO   8           HG2      PRO   8  16.501  -1.488   5.497
   58    HG3  PRO   8           HG3      PRO   8  15.609  -2.078   4.051
   59    HD2  PRO   8           HD2      PRO   8  14.533  -1.949   6.580
   60    HD3  PRO   8           HD3      PRO   8  14.029  -3.187   5.362
   61    H    ASP   9           H        ASP   9  18.966  -2.813   6.010
   62    HA   ASP   9           HA       ASP   9  19.848  -2.674   8.785
   63    HB2  ASP   9           HB2      ASP   9  20.948  -1.399   6.250
   64    HB3  ASP   9           HB3      ASP   9  21.760  -1.421   7.822
   65    H    VAL  10           H        VAL  10  18.018  -0.636   6.657
   66    HA   VAL  10           HA       VAL  10  17.411   1.542   6.635
   67    HB   VAL  10           HB       VAL  10  16.067   2.198   8.541
   68   HG11  VAL  10          HG11      VAL  10  15.866  -0.772   7.929
   69   HG12  VAL  10          HG12      VAL  10  14.563   0.269   8.543
   70   HG13  VAL  10          HG13      VAL  10  15.228   0.540   6.913
   71   HG21  VAL  10          HG21      VAL  10  17.170  -0.259   9.972
   72   HG22  VAL  10          HG22      VAL  10  17.573   1.423  10.384
   73   HG23  VAL  10          HG23      VAL  10  15.907   0.841  10.555
   74    H    GLU  11           H        GLU  11  20.297   1.259   7.236
   75    HA   GLU  11           HA       GLU  11  20.979   3.208   9.241
   76    HB2  GLU  11           HB2      GLU  11  23.261   2.822   8.448
   77    HB3  GLU  11           HB3      GLU  11  22.399   1.281   8.623
   78    HG2  GLU  11           HG2      GLU  11  21.977   1.227   6.192
   79    HG3  GLU  11           HG3      GLU  11  22.784   2.788   6.003
   80    H    GLY  12           H        GLY  12  19.479   3.795   6.370
   81    HA2  GLY  12           HA2      GLY  12  20.399   6.547   6.259
   82    HA3  GLY  12           HA3      GLY  12  20.920   5.574   4.868
   83    H    MET  13           H        MET  13  17.900   4.844   6.536
   84    HA   MET  13           HA       MET  13  16.289   6.193   4.434
   85    HB2  MET  13           HB2      MET  13  16.090   3.238   5.150
   86    HB3  MET  13           HB3      MET  13  15.057   4.115   4.011
   87    HG2  MET  13           HG2      MET  13  17.021   4.571   2.581
   88    HG3  MET  13           HG3      MET  13  18.055   3.688   3.711
   89    HE1  MET  13           HE1      MET  13  16.297   1.152   4.538
   90    HE2  MET  13           HE2      MET  13  16.921   0.002   3.338
   91    HE3  MET  13           HE3      MET  13  18.030   1.145   4.125
   92    H    THR  14           H        THR  14  14.071   6.454   5.045
   93    HA   THR  14           HA       THR  14  13.278   5.552   7.735
   94    HB   THR  14           HB       THR  14  13.207   8.480   6.880
   95   HG21  THR  14          HG21      THR  14  12.378   7.166   9.505
   96   HG22  THR  14          HG22      THR  14  12.360   8.903   9.162
   97   HG23  THR  14          HG23      THR  14  11.255   7.828   8.296
   98    H    SER  15           H        SER  15  12.467   7.064   4.592
   99    HA   SER  15           HA       SER  15   9.592   6.956   4.959
  100    HB2  SER  15           HB2      SER  15  11.303   7.024   2.448
  101    HB3  SER  15           HB3      SER  15   9.554   7.328   2.528
  102    HG   SER  15           HG       SER  15  10.089   9.041   4.035
  103    H    LEU  16           H        LEU  16   8.137   5.560   4.417
  104    HA   LEU  16           HA       LEU  16   9.060   2.812   3.671
  105    HB2  LEU  16           HB2      LEU  16   7.600   3.185   5.700
  106    HB3  LEU  16           HB3      LEU  16   6.323   3.755   4.617
  107    HG   LEU  16           HG       LEU  16   6.362   1.524   3.459
  108   HD11  LEU  16          HD11      LEU  16   7.501  -0.351   4.561
  109   HD12  LEU  16          HD12      LEU  16   8.695   0.877   4.106
  110   HD13  LEU  16          HD13      LEU  16   8.167   0.730   5.794
  111   HD21  LEU  16          HD21      LEU  16   5.846   1.468   6.450
  112   HD22  LEU  16          HD22      LEU  16   4.714   2.023   5.194
  113   HD23  LEU  16          HD23      LEU  16   5.208   0.315   5.256
  114    H    LYS  17           H        LYS  17   7.849   1.689   2.014
  115    HA   LYS  17           HA       LYS  17   6.198   3.246   0.103
  116    HB2  LYS  17           HB2      LYS  17   8.205   3.419  -1.031
  117    HB3  LYS  17           HB3      LYS  17   8.824   1.894  -0.375
  118    HG2  LYS  17           HG2      LYS  17   8.476   1.600  -2.690
  119    HG3  LYS  17           HG3      LYS  17   7.243   0.643  -1.839
  120    HD2  LYS  17           HD2      LYS  17   5.668   2.629  -2.235
  121    HD3  LYS  17           HD3      LYS  17   6.921   3.279  -3.316
  122    HE2  LYS  17           HE2      LYS  17   5.504   0.603  -3.592
  123    HE3  LYS  17           HE3      LYS  17   5.247   2.036  -4.600
  124    HZ1  LYS  17           HZ1      LYS  17   6.694   0.423  -5.631
  125    HZ2  LYS  17           HZ2      LYS  17   7.487   1.849  -5.380
  126    HZ3  LYS  17           HZ3      LYS  17   7.778   0.552  -4.412
  127    H    VAL  18           H        VAL  18   4.446   2.064  -0.432
  128    HA   VAL  18           HA       VAL  18   4.541  -0.916  -0.040
  129    HB   VAL  18           HB       VAL  18   2.401   1.116   0.517
  130   HG11  VAL  18          HG11      VAL  18   2.041  -1.906   0.210
  131   HG12  VAL  18          HG12      VAL  18   0.812  -0.788   0.852
  132   HG13  VAL  18          HG13      VAL  18   1.318  -0.664  -0.831
  133   HG21  VAL  18          HG21      VAL  18   4.046   0.457   2.294
  134   HG22  VAL  18          HG22      VAL  18   2.362   0.050   2.705
  135   HG23  VAL  18          HG23      VAL  18   3.477  -1.216   2.128
  136    H    ASP  19           H        ASP  19   3.523  -2.128  -1.535
  137    HA   ASP  19           HA       ASP  19   2.983  -1.013  -4.242
  138    HB2  ASP  19           HB2      ASP  19   5.467  -1.367  -3.597
  139    HB3  ASP  19           HB3      ASP  19   5.087  -3.096  -3.592
  140    H    ASN  20           H        ASN  20   2.686  -3.007  -5.749
  141    HA   ASN  20           HA       ASN  20   1.478  -4.741  -6.423
  142    HB2  ASN  20           HB2      ASN  20   2.904  -5.911  -4.647
  143    HB3  ASN  20           HB3      ASN  20   1.409  -5.956  -3.692
  144   HD21  ASN  20          HD22      ASN  20   1.193  -8.275  -3.859
  145   HD22  ASN  20          HD21      ASN  20   0.751  -9.035  -5.366
  146    H    LEU  21           H        LEU  21  -0.446  -4.146  -7.070
  147    HA   LEU  21           HA       LEU  21  -2.701  -4.031  -5.116
  148    HB2  LEU  21           HB2      LEU  21  -2.348  -2.157  -7.475
  149    HB3  LEU  21           HB3      LEU  21  -3.591  -2.090  -6.224
  150    HG   LEU  21           HG       LEU  21  -0.619  -1.543  -5.796
  151   HD11  LEU  21          HD11      LEU  21  -1.896   0.060  -7.270
  152   HD12  LEU  21          HD12      LEU  21  -3.084   0.266  -5.963
  153   HD13  LEU  21          HD13      LEU  21  -1.408   0.808  -5.738
  154   HD21  LEU  21          HD21      LEU  21  -1.994  -2.418  -3.803
  155   HD22  LEU  21          HD22      LEU  21  -1.104  -0.903  -3.627
  156   HD23  LEU  21          HD23      LEU  21  -2.875  -0.868  -3.909
  157    H    THR  22           H        THR  22  -4.828  -3.957  -6.423
  158    HA   THR  22           HA       THR  22  -4.602  -5.766  -8.781
  159    HB   THR  22           HB       THR  22  -5.254  -6.900  -6.634
  160   HG21  THR  22          HG21      THR  22  -6.604  -5.059  -5.671
  161   HG22  THR  22          HG22      THR  22  -7.822  -5.292  -6.959
  162   HG23  THR  22          HG23      THR  22  -7.514  -6.577  -5.775
  163    H    TYR  23           H        TYR  23  -5.185  -2.737  -8.176
  164    HA   TYR  23           HA       TYR  23  -6.114  -1.120  -9.493
  165    HB2  TYR  23           HB2      TYR  23  -6.787  -1.689 -11.477
  166    HB3  TYR  23           HB3      TYR  23  -6.842  -3.377 -11.007
  167    HD1  TYR  23           HD2      TYR  23  -9.132  -3.945  -9.536
  168    HD2  TYR  23           HD1      TYR  23  -8.652  -0.814 -12.445
  169    HE1  TYR  23           HE2      TYR  23 -11.577  -3.920  -9.895
  170    HE2  TYR  23           HE1      TYR  23 -11.108  -0.789 -12.829
  171    HH   TYR  23           HH       TYR  23 -13.131  -1.688 -12.243
  172    H    ARG  24           H        ARG  24  -7.560  -3.009  -7.219
  173    HA   ARG  24           HA       ARG  24  -9.816  -1.068  -6.798
  174    HB2  ARG  24           HB2      ARG  24 -10.528  -3.282  -7.587
  175    HB3  ARG  24           HB3      ARG  24  -9.641  -4.044  -6.266
  176    HG2  ARG  24           HG2      ARG  24 -11.165  -2.952  -4.621
  177    HG3  ARG  24           HG3      ARG  24 -11.977  -2.086  -5.952
  178    HD2  ARG  24           HD2      ARG  24 -13.301  -4.023  -5.365
  179    HD3  ARG  24           HD3      ARG  24 -12.545  -4.295  -6.953
  180    HE   ARG  24           HE       ARG  24 -10.917  -5.329  -4.790
  181   HH11  ARG  24          HH11      ARG  24 -13.785  -6.049  -6.730
  182   HH12  ARG  24          HH12      ARG  24 -13.630  -7.778  -6.521
  183   HH21  ARG  24          HH21      ARG  24 -10.734  -7.586  -4.546
  184   HH22  ARG  24          HH22      ARG  24 -11.915  -8.644  -5.276
  185    H    THR  25           H        THR  25  -6.860  -2.189  -5.543
  186    HA   THR  25           HA       THR  25  -7.438  -2.360  -2.768
  187    HB   THR  25           HB       THR  25  -4.929  -1.519  -4.262
  188   HG21  THR  25          HG21      THR  25  -4.684  -0.737  -2.013
  189   HG22  THR  25          HG22      THR  25  -5.411  -2.203  -1.334
  190   HG23  THR  25          HG23      THR  25  -3.803  -2.278  -2.105
  191    H    SER  26           H        SER  26  -6.544   0.416  -4.823
  192    HA   SER  26           HA       SER  26  -6.641   2.637  -4.572
  193    HB2  SER  26           HB2      SER  26  -8.954   1.810  -2.806
  194    HB3  SER  26           HB3      SER  26  -8.654   3.490  -3.304
  195    HG   SER  26           HG       SER  26 -10.074   2.375  -4.712
  196    HA   PRO  27           HA       PRO  27  -4.210   4.242  -1.287
  197    HB2  PRO  27           HB2      PRO  27  -5.028   6.875  -1.257
  198    HB3  PRO  27           HB3      PRO  27  -3.920   6.149  -2.465
  199    HG2  PRO  27           HG2      PRO  27  -6.868   6.716  -2.679
  200    HG3  PRO  27           HG3      PRO  27  -5.590   6.948  -3.921
  201    HD2  PRO  27           HD2      PRO  27  -7.297   4.822  -3.915
  202    HD3  PRO  27           HD3      PRO  27  -5.621   4.675  -4.484
  203    H    ASP  28           H        ASP  28  -7.759   4.640  -1.086
  204    HA   ASP  28           HA       ASP  28  -7.712   5.687   1.599
  205    HB2  ASP  28           HB2      ASP  28  -9.588   5.897  -0.061
  206    HB3  ASP  28           HB3      ASP  28  -9.888   4.158   0.163
  207    H    THR  29           H        THR  29  -8.177   2.361   0.237
  208    HA   THR  29           HA       THR  29  -8.769   1.174   2.783
  209    HB   THR  29           HB       THR  29  -7.380  -0.148   0.433
  210   HG21  THR  29          HG21      THR  29  -7.557  -1.515   2.471
  211   HG22  THR  29          HG22      THR  29  -9.305  -1.185   2.553
  212   HG23  THR  29          HG23      THR  29  -8.639  -2.146   1.216
  213    H    LEU  30           H        LEU  30  -5.792   1.708   0.863
  214    HA   LEU  30           HA       LEU  30  -4.001   0.362   2.606
  215    HB2  LEU  30           HB2      LEU  30  -3.655   2.751   0.748
  216    HB3  LEU  30           HB3      LEU  30  -2.306   1.863   1.482
  217    HG   LEU  30           HG       LEU  30  -4.394   0.490  -0.248
  218   HD11  LEU  30          HD11      LEU  30  -1.735   1.756  -1.060
  219   HD12  LEU  30          HD12      LEU  30  -2.749   0.724  -2.097
  220   HD13  LEU  30          HD13      LEU  30  -3.362   2.300  -1.544
  221   HD21  LEU  30          HD21      LEU  30  -3.021  -0.952   1.185
  222   HD22  LEU  30          HD22      LEU  30  -2.567  -1.164  -0.527
  223   HD23  LEU  30          HD23      LEU  30  -1.540  -0.188   0.542
  224    H    ARG  31           H        ARG  31  -5.416   3.656   2.668
  225    HA   ARG  31           HA       ARG  31  -3.517   4.789   4.408
  226    HB2  ARG  31           HB2      ARG  31  -5.621   5.782   3.068
  227    HB3  ARG  31           HB3      ARG  31  -6.461   5.500   4.591
  228    HG2  ARG  31           HG2      ARG  31  -4.092   7.315   4.045
  229    HG3  ARG  31           HG3      ARG  31  -5.711   7.766   4.606
  230    HD2  ARG  31           HD2      ARG  31  -5.235   6.512   6.741
  231    HD3  ARG  31           HD3      ARG  31  -3.580   6.256   6.150
  232    HE   ARG  31           HE       ARG  31  -3.098   8.549   6.404
  233   HH11  ARG  31          HH11      ARG  31  -6.436   7.839   7.336
  234   HH12  ARG  31          HH12      ARG  31  -6.649   9.365   8.158
  235   HH21  ARG  31          HH21      ARG  31  -3.401  10.519   7.471
  236   HH22  ARG  31          HH22      ARG  31  -4.932  10.880   8.230
  237    H    ARG  32           H        ARG  32  -6.701   3.326   5.174
  238    HA   ARG  32           HA       ARG  32  -6.114   3.427   8.039
  239    HB2  ARG  32           HB2      ARG  32  -8.406   2.500   8.245
  240    HB3  ARG  32           HB3      ARG  32  -8.371   3.850   7.106
  241    HG2  ARG  32           HG2      ARG  32  -7.872   1.747   5.403
  242    HG3  ARG  32           HG3      ARG  32  -8.882   0.948   6.612
  243    HD2  ARG  32           HD2      ARG  32  -9.534   3.509   5.092
  244    HD3  ARG  32           HD3      ARG  32 -10.201   1.906   4.732
  245    HE   ARG  32           HE       ARG  32 -10.830   2.358   7.407
  246   HH11  ARG  32          HH11      ARG  32 -11.478   4.002   4.331
  247   HH12  ARG  32          HH12      ARG  32 -12.989   4.675   4.889
  248   HH21  ARG  32          HH21      ARG  32 -12.811   3.272   8.094
  249   HH22  ARG  32          HH22      ARG  32 -13.741   4.261   6.996
  250    H    VAL  33           H        VAL  33  -5.192   1.293   5.626
  251    HA   VAL  33           HA       VAL  33  -5.130  -1.089   7.392
  252    HB   VAL  33           HB       VAL  33  -4.509  -0.465   4.512
  253   HG11  VAL  33          HG11      VAL  33  -3.731  -3.013   5.979
  254   HG12  VAL  33          HG12      VAL  33  -3.764  -2.821   4.213
  255   HG13  VAL  33          HG13      VAL  33  -2.630  -1.861   5.177
  256   HG21  VAL  33          HG21      VAL  33  -6.829  -1.104   5.311
  257   HG22  VAL  33          HG22      VAL  33  -6.151  -2.264   4.147
  258   HG23  VAL  33          HG23      VAL  33  -6.165  -2.636   5.896
  259    H    PHE  34           H        PHE  34  -3.203   1.665   6.665
  260    HA   PHE  34           HA       PHE  34  -0.766   0.245   7.688
  261    HB2  PHE  34           HB2      PHE  34  -1.221   2.192   5.421
  262    HB3  PHE  34           HB3      PHE  34   0.318   2.220   6.249
  263    HD1  PHE  34           HD1      PHE  34   1.654   0.103   6.470
  264    HD2  PHE  34           HD2      PHE  34  -1.627   0.568   3.755
  265    HE1  PHE  34           HE1      PHE  34   2.497  -1.829   5.130
  266    HE2  PHE  34           HE2      PHE  34  -0.790  -1.316   2.398
  267    HZ   PHE  34           HZ       PHE  34   1.269  -2.555   3.108
  268    H    GLU  35           H        GLU  35  -2.637   3.322   7.628
  269    HA   GLU  35           HA       GLU  35  -0.786   4.529   9.357
  270    HB2  GLU  35           HB2      GLU  35  -2.265   6.372   9.495
  271    HB3  GLU  35           HB3      GLU  35  -2.621   5.622   7.934
  272    HG2  GLU  35           HG2      GLU  35  -4.732   6.059   8.785
  273    HG3  GLU  35           HG3      GLU  35  -4.481   4.356   9.189
  274    H    LYS  36           H        LYS  36  -3.126   2.106   9.819
  275    HA   LYS  36           HA       LYS  36  -4.119   2.606  12.396
  276    HB2  LYS  36           HB2      LYS  36  -4.699   0.231  12.393
  277    HB3  LYS  36           HB3      LYS  36  -5.004   0.941  10.794
  278    HG2  LYS  36           HG2      LYS  36  -2.709   0.048  10.092
  279    HG3  LYS  36           HG3      LYS  36  -2.685  -0.836  11.630
  280    HD2  LYS  36           HD2      LYS  36  -4.607  -1.176   9.308
  281    HD3  LYS  36           HD3      LYS  36  -3.452  -2.354   9.953
  282    HE2  LYS  36           HE2      LYS  36  -4.774  -2.291  12.121
  283    HE3  LYS  36           HE3      LYS  36  -5.982  -1.303  11.259
  284    HZ1  LYS  36           HZ1      LYS  36  -5.140  -4.007  10.491
  285    HZ2  LYS  36           HZ2      LYS  36  -6.559  -3.626  11.229
  286    HZ3  LYS  36           HZ3      LYS  36  -6.260  -3.094   9.703
  287    H    TYR  37           H        TYR  37  -1.062   1.155  11.313
  288    HA   TYR  37           HA       TYR  37  -0.392   0.185  13.933
  289    HB2  TYR  37           HB2      TYR  37   1.317   0.732  11.472
  290    HB3  TYR  37           HB3      TYR  37   1.888  -0.120  12.904
  291    HD1  TYR  37           HD2      TYR  37   0.977  -2.352  13.483
  292    HD2  TYR  37           HD1      TYR  37  -0.165  -0.324   9.868
  293    HE1  TYR  37           HE2      TYR  37   0.064  -4.480  12.578
  294    HE2  TYR  37           HE1      TYR  37  -1.044  -2.435   8.946
  295    HH   TYR  37           HH       TYR  37  -1.430  -4.677   9.324
  296    H    GLY  38           H        GLY  38  -0.172   3.271  12.323
  297    HA2  GLY  38           HA2      GLY  38   0.572   4.588  14.752
  298    HA3  GLY  38           HA3      GLY  38   1.971   4.492  13.658
  299    H    ARG  39           H        ARG  39   1.458   5.200  11.301
  300    HA   ARG  39           HA       ARG  39  -0.796   6.916  10.828
  301    HB2  ARG  39           HB2      ARG  39   0.981   8.220  12.383
  302    HB3  ARG  39           HB3      ARG  39   1.814   8.428  10.831
  303    HG2  ARG  39           HG2      ARG  39   0.413  10.354  11.331
  304    HG3  ARG  39           HG3      ARG  39  -0.209   9.522   9.897
  305    HD2  ARG  39           HD2      ARG  39  -1.955   8.457  11.213
  306    HD3  ARG  39           HD3      ARG  39  -1.229   9.062  12.719
  307    HE   ARG  39           HE       ARG  39  -1.695  11.385  11.464
  308   HH11  ARG  39          HH11      ARG  39  -3.833   8.565  11.726
  309   HH12  ARG  39          HH12      ARG  39  -5.283   9.535  11.729
  310   HH21  ARG  39          HH21      ARG  39  -3.611  12.604  11.426
  311   HH22  ARG  39          HH22      ARG  39  -5.162  11.797  11.528
  312    H    VAL  40           H        VAL  40  -0.555   8.085   8.735
  313    HA   VAL  40           HA       VAL  40   1.461   6.849   6.935
  314    HB   VAL  40           HB       VAL  40  -1.534   7.155   6.533
  315   HG11  VAL  40          HG11      VAL  40   0.631   6.617   4.466
  316   HG12  VAL  40          HG12      VAL  40  -1.107   6.341   4.211
  317   HG13  VAL  40          HG13      VAL  40  -0.506   7.997   4.470
  318   HG21  VAL  40          HG21      VAL  40  -0.357   5.006   7.478
  319   HG22  VAL  40          HG22      VAL  40  -1.502   4.811   6.109
  320   HG23  VAL  40          HG23      VAL  40   0.246   4.809   5.826
  321    H    GLY  41           H        GLY  41   2.765   8.571   6.845
  322    HA2  GLY  41           HA2      GLY  41   2.050  11.309   6.741
  323    HA3  GLY  41           HA3      GLY  41   3.567  10.598   6.144
  324    H    ASP  42           H        ASP  42   2.100   8.844   4.186
  325    HA   ASP  42           HA       ASP  42   0.867  10.702   2.267
  326    HB2  ASP  42           HB2      ASP  42   3.606   9.419   1.944
  327    HB3  ASP  42           HB3      ASP  42   2.632   9.893   0.550
  328    H    VAL  43           H        VAL  43  -0.447   9.560   0.859
  329    HA   VAL  43           HA       VAL  43   0.070   6.704   0.448
  330    HB   VAL  43           HB       VAL  43  -1.565   7.298   2.516
  331   HG11  VAL  43          HG11      VAL  43  -3.497   6.931   0.205
  332   HG12  VAL  43          HG12      VAL  43  -3.900   6.942   1.925
  333   HG13  VAL  43          HG13      VAL  43  -3.295   8.426   1.167
  334   HG21  VAL  43          HG21      VAL  43  -1.772   4.957   0.641
  335   HG22  VAL  43          HG22      VAL  43  -0.822   5.124   2.163
  336   HG23  VAL  43          HG23      VAL  43  -2.579   5.056   2.228
  337    H    TYR  44           H        TYR  44   0.069   6.539  -1.727
  338    HA   TYR  44           HA       TYR  44  -2.243   7.589  -3.182
  339    HB2  TYR  44           HB2      TYR  44  -1.214   9.135  -4.530
  340    HB3  TYR  44           HB3      TYR  44  -0.533   9.499  -2.953
  341    HD1  TYR  44           HD2      TYR  44   1.871   8.930  -2.481
  342    HD2  TYR  44           HD1      TYR  44   0.068   8.223  -6.314
  343    HE1  TYR  44           HE2      TYR  44   4.132   8.774  -3.513
  344    HE2  TYR  44           HE1      TYR  44   2.301   8.000  -7.345
  345    HH   TYR  44           HH       TYR  44   4.573   8.137  -7.015
  346    H    ILE  45           H        ILE  45  -2.098   7.040  -5.536
  347    HA   ILE  45           HA       ILE  45  -0.471   4.582  -6.001
  348    HB   ILE  45           HB       ILE  45  -3.371   5.178  -6.687
  349   HG12  ILE  45          HG12      ILE  45  -3.762   2.929  -5.805
  350   HG13  ILE  45          HG13      ILE  45  -2.035   2.728  -5.463
  351   HG21  ILE  45          HG21      ILE  45  -3.293   3.122  -8.079
  352   HG22  ILE  45          HG22      ILE  45  -2.227   4.378  -8.741
  353   HG23  ILE  45          HG23      ILE  45  -1.534   3.023  -7.827
  354   HD11  ILE  45          HD11      ILE  45  -3.631   4.974  -4.217
  355   HD12  ILE  45          HD12      ILE  45  -3.605   3.329  -3.525
  356   HD13  ILE  45          HD13      ILE  45  -2.102   4.243  -3.661
  357    HA   PRO  46           HA       PRO  46   0.953   7.296  -9.349
  358    HB2  PRO  46           HB2      PRO  46   2.963   5.673 -10.233
  359    HB3  PRO  46           HB3      PRO  46   3.076   6.622  -8.720
  360    HG2  PRO  46           HG2      PRO  46   2.285   3.720  -9.030
  361    HG3  PRO  46           HG3      PRO  46   3.473   4.445  -7.882
  362    HD2  PRO  46           HD2      PRO  46   0.914   3.837  -7.187
  363    HD3  PRO  46           HD3      PRO  46   1.765   5.261  -6.514
  364    H    ARG  47           H        ARG  47  -1.439   6.235  -9.863
  365    HA   ARG  47           HA       ARG  47  -1.578   4.187 -11.830
  366    HB2  ARG  47           HB2      ARG  47  -3.872   4.800 -12.073
  367    HB3  ARG  47           HB3      ARG  47  -3.458   4.977 -10.363
  368    HG2  ARG  47           HG2      ARG  47  -3.203   7.421 -10.700
  369    HG3  ARG  47           HG3      ARG  47  -3.594   7.196 -12.433
  370    HD2  ARG  47           HD2      ARG  47  -5.463   6.385 -10.179
  371    HD3  ARG  47           HD3      ARG  47  -5.544   7.948 -11.006
  372    HE   ARG  47           HE       ARG  47  -5.563   6.147 -13.084
  373   HH11  ARG  47          HH11      ARG  47  -7.566   6.576 -10.205
  374   HH12  ARG  47          HH12      ARG  47  -8.988   5.895 -10.960
  375   HH21  ARG  47          HH21      ARG  47  -7.388   5.247 -14.025
  376   HH22  ARG  47          HH22      ARG  47  -8.894   5.154 -13.137
  377    H    ASP  48           H        ASP  48  -3.116   5.086 -13.868
  378    HA   ASP  48           HA       ASP  48  -1.274   5.774 -15.850
  379    HB2  ASP  48           HB2      ASP  48  -3.124   5.737 -17.284
  380    HB3  ASP  48           HB3      ASP  48  -3.600   4.649 -15.966
  381    H    ARG  49           H        ARG  49  -1.924   7.551 -17.522
  382    HA   ARG  49           HA       ARG  49  -2.707  10.119 -16.293
  383    HB2  ARG  49           HB2      ARG  49  -0.231   9.883 -16.109
  384    HB3  ARG  49           HB3      ARG  49  -0.132   9.824 -17.874
  385    HG2  ARG  49           HG2      ARG  49  -0.951  12.087 -18.066
  386    HG3  ARG  49           HG3      ARG  49  -1.514  12.091 -16.373
  387    HD2  ARG  49           HD2      ARG  49   0.796  11.876 -15.597
  388    HD3  ARG  49           HD3      ARG  49   1.380  11.859 -17.276
  389    HE   ARG  49           HE       ARG  49  -0.166  14.201 -16.939
  390   HH11  ARG  49          HH11      ARG  49   2.871  12.839 -15.758
  391   HH12  ARG  49          HH12      ARG  49   3.603  14.397 -15.461
  392   HH21  ARG  49          HH21      ARG  49   0.795  16.230 -16.543
  393   HH22  ARG  49          HH22      ARG  49   2.424  16.318 -15.920
  394    H    TYR  50           H        TYR  50  -3.184   7.852 -18.671
  395    HA   TYR  50           HA       TYR  50  -4.415   9.780 -20.491
  396    HB2  TYR  50           HB2      TYR  50  -3.148   8.892 -22.437
  397    HB3  TYR  50           HB3      TYR  50  -2.149   9.806 -21.314
  398    HD1  TYR  50           HD1      TYR  50  -0.476   8.691 -19.903
  399    HD2  TYR  50           HD2      TYR  50  -2.818   6.502 -22.763
  400    HE1  TYR  50           HE1      TYR  50   1.122   6.787 -19.741
  401    HE2  TYR  50           HE2      TYR  50  -1.227   4.597 -22.616
  402    HH   TYR  50           HH       TYR  50   1.657   4.689 -20.504
  403    H    THR  51           H        THR  51  -5.066   7.259 -18.722
  404    HA   THR  51           HA       THR  51  -6.615   5.879 -20.846
  405    HB   THR  51           HB       THR  51  -6.077   3.704 -19.979
  406   HG21  THR  51          HG21      THR  51  -3.467   5.237 -20.272
  407   HG22  THR  51          HG22      THR  51  -3.726   3.496 -20.522
  408   HG23  THR  51          HG23      THR  51  -4.480   4.670 -21.626
  409    H    LYS  52           H        LYS  52  -7.655   3.894 -19.004
  410    HA   LYS  52           HA       LYS  52  -9.284   5.583 -17.171
  411    HB2  LYS  52           HB2      LYS  52 -10.324   3.466 -19.114
  412    HB3  LYS  52           HB3      LYS  52 -11.259   4.238 -17.831
  413    HG2  LYS  52           HG2      LYS  52 -11.897   5.496 -19.628
  414    HG3  LYS  52           HG3      LYS  52 -10.592   6.487 -18.974
  415    HD2  LYS  52           HD2      LYS  52  -9.046   5.570 -20.703
  416    HD3  LYS  52           HD3      LYS  52 -10.332   4.485 -21.272
  417    HE2  LYS  52           HE2      LYS  52 -10.190   6.422 -22.732
  418    HE3  LYS  52           HE3      LYS  52 -11.722   6.458 -21.847
  419    HZ1  LYS  52           HZ1      LYS  52  -9.302   8.003 -21.157
  420    HZ2  LYS  52           HZ2      LYS  52 -10.645   8.601 -21.882
  421    HZ3  LYS  52           HZ3      LYS  52 -10.730   8.046 -20.337
  422    H    GLU  53           H        GLU  53  -6.935   3.813 -16.723
  423    HA   GLU  53           HA       GLU  53  -8.165   2.033 -14.705
  424    HB2  GLU  53           HB2      GLU  53  -6.736   0.162 -15.411
  425    HB3  GLU  53           HB3      GLU  53  -7.860   0.637 -16.694
  426    HG2  GLU  53           HG2      GLU  53  -6.063   1.917 -17.811
  427    HG3  GLU  53           HG3      GLU  53  -4.925   1.461 -16.530
  428    H    SER  54           H        SER  54  -5.902   0.856 -13.675
  429    HA   SER  54           HA       SER  54  -4.090   3.143 -13.045
  430    HB2  SER  54           HB2      SER  54  -5.432   1.315 -11.018
  431    HB3  SER  54           HB3      SER  54  -4.254   2.597 -10.670
  432    HG   SER  54           HG       SER  54  -6.448   3.253 -10.396
  433    H    ARG  55           H        ARG  55  -2.118   2.421 -11.903
  434    HA   ARG  55           HA       ARG  55  -0.948   0.087 -13.184
  435    HB2  ARG  55           HB2      ARG  55   0.086   1.967 -11.017
  436    HB3  ARG  55           HB3      ARG  55   1.052   0.723 -11.827
  437    HG2  ARG  55           HG2      ARG  55  -0.313   3.057 -13.231
  438    HG3  ARG  55           HG3      ARG  55   1.410   2.961 -12.817
  439    HD2  ARG  55           HD2      ARG  55   1.646   0.950 -14.247
  440    HD3  ARG  55           HD3      ARG  55  -0.068   1.062 -14.678
  441    HE   ARG  55           HE       ARG  55   2.102   2.921 -15.488
  442   HH11  ARG  55          HH11      ARG  55  -1.284   1.934 -15.728
  443   HH12  ARG  55          HH12      ARG  55  -1.576   2.886 -17.166
  444   HH21  ARG  55          HH21      ARG  55   1.680   4.172 -17.341
  445   HH22  ARG  55          HH22      ARG  55   0.099   4.150 -18.080
  446    H    GLY  56           H        GLY  56   0.468  -1.372 -11.701
  447    HA2  GLY  56           HA2      GLY  56  -1.497  -2.768  -9.990
  448    HA3  GLY  56           HA3      GLY  56  -0.076  -3.479 -10.768
  449    H    PHE  57           H        PHE  57   0.281  -0.397  -9.054
  450    HA   PHE  57           HA       PHE  57   1.139  -1.676  -6.550
  451    HB2  PHE  57           HB2      PHE  57   3.332  -0.979  -6.620
  452    HB3  PHE  57           HB3      PHE  57   3.080  -1.857  -8.136
  453    HD1  PHE  57           HD2      PHE  57   2.446  -0.218 -10.213
  454    HD2  PHE  57           HD1      PHE  57   4.423   1.008  -6.600
  455    HE1  PHE  57           HE2      PHE  57   3.372   1.764 -11.385
  456    HE2  PHE  57           HE1      PHE  57   5.388   2.958  -7.782
  457    HZ   PHE  57           HZ       PHE  57   4.832   3.371 -10.153
  458    H    ALA  58           H        ALA  58   1.507  -0.144  -4.887
  459    HA   ALA  58           HA       ALA  58   0.244   2.511  -5.401
  460    HB1  ALA  58           HB1      ALA  58  -1.030   1.129  -3.822
  461    HB2  ALA  58           HB2      ALA  58   0.441   0.811  -2.873
  462    HB3  ALA  58           HB3      ALA  58  -0.257   2.445  -2.946
  463    H    PHE  59           H        PHE  59   1.043   3.715  -3.069
  464    HA   PHE  59           HA       PHE  59   3.891   3.513  -2.582
  465    HB2  PHE  59           HB2      PHE  59   3.170   4.961  -4.850
  466    HB3  PHE  59           HB3      PHE  59   3.094   6.207  -3.630
  467    HD1  PHE  59           HD1      PHE  59   5.418   5.610  -1.873
  468    HD2  PHE  59           HD2      PHE  59   5.003   5.221  -6.140
  469    HE1  PHE  59           HE1      PHE  59   7.855   5.934  -2.143
  470    HE2  PHE  59           HE2      PHE  59   7.447   5.501  -6.401
  471    HZ   PHE  59           HZ       PHE  59   8.873   5.881  -4.409
  472    H    VAL  60           H        VAL  60   2.401   2.908  -0.720
  473    HA   VAL  60           HA       VAL  60   1.599   5.407   0.632
  474    HB   VAL  60           HB       VAL  60   0.919   4.343   2.391
  475   HG11  VAL  60          HG11      VAL  60  -0.382   3.377   0.658
  476   HG12  VAL  60          HG12      VAL  60   0.760   2.054   0.409
  477   HG13  VAL  60          HG13      VAL  60  -0.134   2.180   1.945
  478   HG21  VAL  60          HG21      VAL  60   2.860   3.617   3.377
  479   HG22  VAL  60          HG22      VAL  60   1.738   2.264   3.411
  480   HG23  VAL  60          HG23      VAL  60   3.080   2.296   2.211
  481    H    ARG  61           H        ARG  61   2.884   6.659   1.954
  482    HA   ARG  61           HA       ARG  61   5.625   5.660   2.497
  483    HB2  ARG  61           HB2      ARG  61   6.241   6.956   0.737
  484    HB3  ARG  61           HB3      ARG  61   4.880   8.093   0.905
  485    HG2  ARG  61           HG2      ARG  61   5.955   9.101   2.886
  486    HG3  ARG  61           HG3      ARG  61   7.277   7.907   2.778
  487    HD2  ARG  61           HD2      ARG  61   7.699   8.789   0.422
  488    HD3  ARG  61           HD3      ARG  61   6.615  10.131   0.823
  489    HE   ARG  61           HE       ARG  61   9.334   9.634   1.812
  490   HH11  ARG  61          HH11      ARG  61   6.332  11.460   2.377
  491   HH12  ARG  61          HH12      ARG  61   7.145  12.681   3.315
  492   HH21  ARG  61          HH21      ARG  61  10.319  11.233   3.050
  493   HH22  ARG  61          HH22      ARG  61   9.383  12.561   3.698
  494    H    PHE  62           H        PHE  62   6.431   5.915   4.221
  495    HA   PHE  62           HA       PHE  62   4.750   7.255   6.319
  496    HB2  PHE  62           HB2      PHE  62   6.710   4.976   6.391
  497    HB3  PHE  62           HB3      PHE  62   6.290   5.889   7.840
  498    HD1  PHE  62           HD1      PHE  62   3.917   5.039   5.031
  499    HD2  PHE  62           HD2      PHE  62   5.141   4.326   9.099
  500    HE1  PHE  62           HE1      PHE  62   1.843   3.814   5.411
  501    HE2  PHE  62           HE2      PHE  62   3.082   2.990   9.469
  502    HZ   PHE  62           HZ       PHE  62   1.446   2.720   7.671
  503    H    HIS  63           H        HIS  63   5.570   8.663   7.716
  504    HA   HIS  63           HA       HIS  63   7.935  10.205   6.875
  505    HB2  HIS  63           HB2      HIS  63   6.915  11.834   8.524
  506    HB3  HIS  63           HB3      HIS  63   5.843  11.386   7.189
  507    HD2  HIS  63           HD2      HIS  63   3.551  11.804   8.566
  508    HE1  HIS  63           HE1      HIS  63   4.118   8.745  11.468
  509    HE2  HIS  63           HE2      HIS  63   2.468  10.464  10.525
  510    H    ASP  64           H        ASP  64   7.290   7.651   8.988
  511    HA   ASP  64           HA       ASP  64   9.633   8.295  10.654
  512    HB2  ASP  64           HB2      ASP  64   7.620   9.203  11.830
  513    HB3  ASP  64           HB3      ASP  64   6.927   7.580  11.843
  514    H    LYS  65           H        LYS  65  10.884   6.567  10.403
  515    HA   LYS  65           HA       LYS  65  10.123   4.137   9.274
  516    HB2  LYS  65           HB2      LYS  65  12.325   3.369   9.842
  517    HB3  LYS  65           HB3      LYS  65  12.386   5.081   9.381
  518    HG2  LYS  65           HG2      LYS  65  12.194   5.533  11.960
  519    HG3  LYS  65           HG3      LYS  65  12.704   3.839  12.117
  520    HD2  LYS  65           HD2      LYS  65  14.171   6.080  10.668
  521    HD3  LYS  65           HD3      LYS  65  14.633   5.366  12.224
  522    HE2  LYS  65           HE2      LYS  65  15.065   3.207  11.142
  523    HE3  LYS  65           HE3      LYS  65  14.495   3.852   9.591
  524    HZ1  LYS  65           HZ1      LYS  65  16.284   5.422   9.617
  525    HZ2  LYS  65           HZ2      LYS  65  16.823   4.883  11.074
  526    HZ3  LYS  65           HZ3      LYS  65  16.897   3.911   9.753
  527    H    ARG  66           H        ARG  66   9.833   5.118  12.659
  528    HA   ARG  66           HA       ARG  66   9.833   2.446  13.755
  529    HB2  ARG  66           HB2      ARG  66   8.581   5.044  14.738
  530    HB3  ARG  66           HB3      ARG  66   8.754   3.571  15.714
  531    HG2  ARG  66           HG2      ARG  66  11.048   5.162  14.492
  532    HG3  ARG  66           HG3      ARG  66  10.537   5.230  16.197
  533    HD2  ARG  66           HD2      ARG  66  11.578   2.760  14.749
  534    HD3  ARG  66           HD3      ARG  66  12.503   3.764  15.868
  535    HE   ARG  66           HE       ARG  66  10.580   3.160  17.529
  536   HH11  ARG  66          HH11      ARG  66  11.947   0.970  15.088
  537   HH12  ARG  66          HH12      ARG  66  11.616  -0.453  16.038
  538   HH21  ARG  66          HH21      ARG  66  10.167   1.276  18.721
  539   HH22  ARG  66          HH22      ARG  66  10.603  -0.286  18.079
  540    H    ASP  67           H        ASP  67   7.209   4.687  12.758
  541    HA   ASP  67           HA       ASP  67   5.110   2.789  13.314
  542    HB2  ASP  67           HB2      ASP  67   5.186   5.182  11.427
  543    HB3  ASP  67           HB3      ASP  67   3.728   4.295  11.918
  544    H    ALA  68           H        ALA  68   7.329   3.335  10.621
  545    HA   ALA  68           HA       ALA  68   5.796   1.771   8.715
  546    HB1  ALA  68           HB1      ALA  68   7.882   2.025   7.377
  547    HB2  ALA  68           HB2      ALA  68   7.309   3.588   8.022
  548    HB3  ALA  68           HB3      ALA  68   8.685   2.756   8.776
  549    H    GLU  69           H        GLU  69   8.423   1.160  11.063
  550    HA   GLU  69           HA       GLU  69   9.290  -1.360  10.095
  551    HB2  GLU  69           HB2      GLU  69   9.280   0.079  12.741
  552    HB3  GLU  69           HB3      GLU  69   9.622  -1.658  12.723
  553    HG2  GLU  69           HG2      GLU  69  11.416  -1.264  11.044
  554    HG3  GLU  69           HG3      GLU  69  11.096   0.464  11.082
  555    H    ASP  70           H        ASP  70   6.734  -0.552  12.544
  556    HA   ASP  70           HA       ASP  70   6.166  -3.355  12.945
  557    HB2  ASP  70           HB2      ASP  70   4.440  -0.938  13.579
  558    HB3  ASP  70           HB3      ASP  70   4.277  -2.587  14.225
  559    H    ALA  71           H        ALA  71   4.616  -0.761  10.979
  560    HA   ALA  71           HA       ALA  71   2.397  -2.291  10.118
  561    HB1  ALA  71           HB1      ALA  71   2.634   0.171   9.856
  562    HB2  ALA  71           HB2      ALA  71   3.890  -0.090   8.624
  563    HB3  ALA  71           HB3      ALA  71   2.224  -0.643   8.333
  564    H    MET  72           H        MET  72   5.654  -1.857   8.621
  565    HA   MET  72           HA       MET  72   5.169  -3.563   6.379
  566    HB2  MET  72           HB2      MET  72   6.984  -1.979   6.378
  567    HB3  MET  72           HB3      MET  72   7.628  -2.628   7.896
  568    HG2  MET  72           HG2      MET  72   8.425  -4.591   6.892
  569    HG3  MET  72           HG3      MET  72   7.464  -4.354   5.424
  570    HE1  MET  72           HE1      MET  72  10.083  -2.480   7.687
  571    HE2  MET  72           HE2      MET  72  10.871  -1.406   6.505
  572    HE3  MET  72           HE3      MET  72   9.171  -1.151   6.923
  573    H    ASP  73           H        ASP  73   6.479  -4.190   9.661
  574    HA   ASP  73           HA       ASP  73   7.009  -6.964   9.123
  575    HB2  ASP  73           HB2      ASP  73   8.143  -5.610  10.880
  576    HB3  ASP  73           HB3      ASP  73   6.616  -5.523  11.777
  577    H    ALA  74           H        ALA  74   4.099  -5.350   9.253
  578    HA   ALA  74           HA       ALA  74   2.685  -7.837  10.042
  579    HB1  ALA  74           HB1      ALA  74   1.950  -4.967  10.721
  580    HB2  ALA  74           HB2      ALA  74   0.960  -6.398  11.112
  581    HB3  ALA  74           HB3      ALA  74   2.560  -6.180  11.858
  582    H    MET  75           H        MET  75   3.434  -6.047   7.423
  583    HA   MET  75           HA       MET  75   0.765  -6.528   6.189
  584    HB2  MET  75           HB2      MET  75   2.414  -3.989   6.073
  585    HB3  MET  75           HB3      MET  75   1.193  -4.379   4.878
  586    HG2  MET  75           HG2      MET  75   0.690  -4.132   7.870
  587    HG3  MET  75           HG3      MET  75   0.284  -2.932   6.648
  588    HE1  MET  75           HE1      MET  75  -0.584  -5.342   4.355
  589    HE2  MET  75           HE2      MET  75  -2.322  -4.992   4.445
  590    HE3  MET  75           HE3      MET  75  -1.146  -3.658   4.468
  591    H    ASP  76           H        ASP  76   4.301  -6.675   5.818
  592    HA   ASP  76           HA       ASP  76   4.241  -6.789   2.961
  593    HB2  ASP  76           HB2      ASP  76   6.304  -6.417   4.316
  594    HB3  ASP  76           HB3      ASP  76   6.225  -8.099   4.863
  595    H    GLY  77           H        GLY  77   3.405  -8.294   1.662
  596    HA2  GLY  77           HA2      GLY  77   2.642 -10.275   0.863
  597    HA3  GLY  77           HA3      GLY  77   3.619 -11.116   2.086
  598    H    ALA  78           H        ALA  78   1.209  -8.707   2.953
  599    HA   ALA  78           HA       ALA  78  -0.162 -10.697   4.616
  600    HB1  ALA  78           HB1      ALA  78  -0.528  -7.690   4.321
  601    HB2  ALA  78           HB2      ALA  78  -1.290  -8.706   5.562
  602    HB3  ALA  78           HB3      ALA  78   0.476  -8.520   5.547
  603    H    VAL  79           H        VAL  79  -0.422 -10.033   1.490
  604    HA   VAL  79           HA       VAL  79  -2.119  -9.839  -0.067
  605    HB   VAL  79           HB       VAL  79  -1.710 -12.145  -0.011
  606   HG11  VAL  79          HG11      VAL  79  -3.517 -12.344   2.412
  607   HG12  VAL  79          HG12      VAL  79  -2.817 -13.719   1.511
  608   HG13  VAL  79          HG13      VAL  79  -1.749 -12.588   2.358
  609   HG21  VAL  79          HG21      VAL  79  -4.696 -11.859   0.063
  610   HG22  VAL  79          HG22      VAL  79  -3.591 -11.406  -1.273
  611   HG23  VAL  79          HG23      VAL  79  -3.710 -13.100  -0.738
  612    H    LEU  80           H        LEU  80  -2.858  -7.819   0.770
  613    HA   LEU  80           HA       LEU  80  -5.160  -7.520   2.365
  614    HB2  LEU  80           HB2      LEU  80  -3.747  -5.710   2.076
  615    HB3  LEU  80           HB3      LEU  80  -3.623  -5.922   0.331
  616    HG   LEU  80           HG       LEU  80  -6.278  -5.116   1.531
  617   HD11  LEU  80          HD11      LEU  80  -5.575  -2.754   1.219
  618   HD12  LEU  80          HD12      LEU  80  -4.601  -3.571   2.458
  619   HD13  LEU  80          HD13      LEU  80  -3.924  -3.307   0.834
  620   HD21  LEU  80          HD21      LEU  80  -6.495  -4.051  -0.689
  621   HD22  LEU  80          HD22      LEU  80  -4.807  -4.489  -1.078
  622   HD23  LEU  80          HD23      LEU  80  -6.025  -5.750  -0.926
  623    H    ASP  81           H        ASP  81  -4.934  -8.758  -0.904
  624    HA   ASP  81           HA       ASP  81  -7.902  -8.707  -0.983
  625    HB2  ASP  81           HB2      ASP  81  -7.196  -6.772  -2.314
  626    HB3  ASP  81           HB3      ASP  81  -6.087  -7.783  -3.246
  627    H    GLY  82           H        GLY  82  -4.902  -9.946  -2.585
  628    HA2  GLY  82           HA2      GLY  82  -5.244 -12.576  -2.121
  629    HA3  GLY  82           HA3      GLY  82  -6.365 -12.343  -3.490
  630    H    ARG  83           H        ARG  83  -3.360 -10.474  -3.203
  631    HA   ARG  83           HA       ARG  83  -2.084 -12.259  -5.225
  632    HB2  ARG  83           HB2      ARG  83  -1.263 -10.085  -6.288
  633    HB3  ARG  83           HB3      ARG  83  -2.972 -10.489  -6.528
  634    HG2  ARG  83           HG2      ARG  83  -3.724  -8.907  -4.950
  635    HG3  ARG  83           HG3      ARG  83  -2.121  -8.736  -4.202
  636    HD2  ARG  83           HD2      ARG  83  -2.697  -6.831  -5.662
  637    HD3  ARG  83           HD3      ARG  83  -1.237  -7.698  -6.176
  638    HE   ARG  83           HE       ARG  83  -3.932  -8.116  -7.442
  639   HH11  ARG  83          HH11      ARG  83  -0.410  -7.720  -7.762
  640   HH12  ARG  83          HH12      ARG  83  -0.435  -8.011  -9.480
  641   HH21  ARG  83          HH21      ARG  83  -3.904  -8.454  -9.684
  642   HH22  ARG  83          HH22      ARG  83  -2.400  -8.400 -10.566
  643    H    GLU  84           H        GLU  84  -1.812 -10.253  -2.435
  644    HA   GLU  84           HA       GLU  84  -0.399 -10.776  -0.691
  645    HB2  GLU  84           HB2      GLU  84   0.687 -12.587  -2.513
  646    HB3  GLU  84           HB3      GLU  84   2.047 -11.510  -2.106
  647    HG2  GLU  84           HG2      GLU  84   1.287 -11.833   0.351
  648    HG3  GLU  84           HG3      GLU  84   0.248 -13.116  -0.247
  649    H    LEU  85           H        LEU  85  -0.407  -8.690  -0.127
  650    HA   LEU  85           HA       LEU  85   0.567  -6.595  -1.646
  651    HB2  LEU  85           HB2      LEU  85  -0.969  -6.604   0.396
  652    HB3  LEU  85           HB3      LEU  85   0.470  -6.777   1.403
  653    HG   LEU  85           HG       LEU  85   1.340  -4.610   0.494
  654   HD11  LEU  85          HD11      LEU  85  -0.202  -3.208  -0.845
  655   HD12  LEU  85          HD12      LEU  85   0.244  -4.679  -1.716
  656   HD13  LEU  85          HD13      LEU  85  -1.352  -4.572  -0.939
  657   HD21  LEU  85          HD21      LEU  85  -1.481  -4.589   1.603
  658   HD22  LEU  85          HD22      LEU  85   0.058  -4.610   2.523
  659   HD23  LEU  85          HD23      LEU  85  -0.375  -3.184   1.545
  660    H    ARG  86           H        ARG  86   2.411  -5.103  -1.130
  661    HA   ARG  86           HA       ARG  86   4.789  -6.582  -0.115
  662    HB2  ARG  86           HB2      ARG  86   4.583  -4.836  -2.604
  663    HB3  ARG  86           HB3      ARG  86   6.097  -5.475  -1.946
  664    HG2  ARG  86           HG2      ARG  86   3.766  -7.148  -2.962
  665    HG3  ARG  86           HG3      ARG  86   5.255  -6.799  -3.858
  666    HD2  ARG  86           HD2      ARG  86   6.586  -7.913  -2.089
  667    HD3  ARG  86           HD3      ARG  86   5.116  -8.246  -1.173
  668    HE   ARG  86           HE       ARG  86   5.593  -9.349  -3.921
  669   HH11  ARG  86          HH11      ARG  86   4.614  -9.780  -0.546
  670   HH12  ARG  86          HH12      ARG  86   4.219 -11.477  -0.767
  671   HH21  ARG  86          HH21      ARG  86   5.040 -11.574  -4.160
  672   HH22  ARG  86          HH22      ARG  86   4.437 -12.460  -2.778
  673    H    VAL  87           H        VAL  87   6.041  -5.453   1.266
  674    HA   VAL  87           HA       VAL  87   5.687  -2.508   1.392
  675    HB   VAL  87           HB       VAL  87   5.671  -4.319   3.847
  676   HG11  VAL  87          HG11      VAL  87   5.171  -1.362   3.350
  677   HG12  VAL  87          HG12      VAL  87   4.856  -2.181   4.900
  678   HG13  VAL  87          HG13      VAL  87   6.511  -2.103   4.236
  679   HG21  VAL  87          HG21      VAL  87   3.304  -3.127   2.360
  680   HG22  VAL  87          HG22      VAL  87   3.617  -4.828   2.725
  681   HG23  VAL  87          HG23      VAL  87   3.253  -3.700   4.047
  682    H    GLN  88           H        GLN  88   7.473  -1.417   1.763
  683    HA   GLN  88           HA       GLN  88   9.895  -2.491   2.937
  684    HB2  GLN  88           HB2      GLN  88  11.202  -2.326   0.793
  685    HB3  GLN  88           HB3      GLN  88  10.100  -3.709   0.869
  686    HG2  GLN  88           HG2      GLN  88   8.447  -2.554  -0.518
  687    HG3  GLN  88           HG3      GLN  88   9.421  -1.085  -0.520
  688   HE21  GLN  88          HE22      GLN  88   8.479  -2.714  -2.802
  689   HE22  GLN  88          HE21      GLN  88   9.923  -3.221  -3.659
  690    H    MET  89           H        MET  89  11.466  -0.926   3.205
  691    HA   MET  89           HA       MET  89  10.805   1.766   3.429
  692    HB2  MET  89           HB2      MET  89  13.452   0.355   2.995
  693    HB3  MET  89           HB3      MET  89  13.337   2.090   3.356
  694    HG2  MET  89           HG2      MET  89  11.928   0.001   5.046
  695    HG3  MET  89           HG3      MET  89  13.604   0.446   5.351
  696    HE1  MET  89           HE1      MET  89  12.177   0.719   7.780
  697    HE2  MET  89           HE2      MET  89  11.062   2.076   8.081
  698    HE3  MET  89           HE3      MET  89  10.571   0.750   7.001
  699    H    ALA  90           H        ALA  90  10.906   3.539   2.121
  700    HA   ALA  90           HA       ALA  90  10.777   3.099  -0.761
  701    HB1  ALA  90           HB1      ALA  90  10.553   5.645   0.898
  702    HB2  ALA  90           HB2      ALA  90  10.077   5.446  -0.809
  703    HB3  ALA  90           HB3      ALA  90   9.199   4.578   0.457
  704    H    ARG  91           H        ARG  91  13.433   3.323   1.163
  705    HA   ARG  91           HA       ARG  91  15.573   3.972   0.890
  706    HB2  ARG  91           HB2      ARG  91  15.209   2.726  -1.249
  707    HB3  ARG  91           HB3      ARG  91  14.898   4.268  -2.055
  708    HG2  ARG  91           HG2      ARG  91  17.384   4.407  -0.528
  709    HG3  ARG  91           HG3      ARG  91  17.396   3.002  -1.602
  710    HD2  ARG  91           HD2      ARG  91  16.818   4.404  -3.531
  711    HD3  ARG  91           HD3      ARG  91  16.672   5.824  -2.493
  712    HE   ARG  91           HE       ARG  91  19.140   4.579  -3.467
  713   HH11  ARG  91          HH11      ARG  91  17.722   6.691  -1.009
  714   HH12  ARG  91          HH12      ARG  91  19.220   7.541  -0.709
  715   HH21  ARG  91          HH21      ARG  91  21.087   5.696  -3.039
  716   HH22  ARG  91          HH22      ARG  91  21.121   6.960  -1.832
  717    H    TYR  92           H        TYR  92  13.390   6.023   1.334
  718    HA   TYR  92           HA       TYR  92  15.047   8.419   0.689
  719    HB2  TYR  92           HB2      TYR  92  12.028   8.342   0.878
  720    HB3  TYR  92           HB3      TYR  92  13.035   9.688   0.362
  721    HD1  TYR  92           HD1      TYR  92  14.816   8.610  -1.661
  722    HD2  TYR  92           HD2      TYR  92  10.711   7.624  -0.838
  723    HE1  TYR  92           HE1      TYR  92  14.530   7.851  -4.011
  724    HE2  TYR  92           HE2      TYR  92  10.431   6.813  -3.170
  725    HH   TYR  92           HH       TYR  92  13.100   6.950  -5.559
  726    H    GLY  93           H        GLY  93  14.159  10.313   2.191
  727    HA2  GLY  93           HA2      GLY  93  13.024   9.727   4.717
  728    HA3  GLY  93           HA3      GLY  93  14.781   9.631   4.874
  729    H    ARG  94           H        ARG  94  13.782  11.493   6.392
  730    HA   ARG  94           HA       ARG  94  14.661  14.014   5.176
  731    HB2  ARG  94           HB2      ARG  94  12.141  13.715   4.714
  732    HB3  ARG  94           HB3      ARG  94  11.911  13.762   6.467
  733    HG2  ARG  94           HG2      ARG  94  11.480  15.961   5.627
  734    HG3  ARG  94           HG3      ARG  94  13.049  16.049   6.446
  735    HD2  ARG  94           HD2      ARG  94  14.171  15.775   4.203
  736    HD3  ARG  94           HD3      ARG  94  12.569  15.754   3.448
  737    HE   ARG  94           HE       ARG  94  12.730  18.092   5.017
  738   HH11  ARG  94          HH11      ARG  94  14.283  16.699   2.165
  739   HH12  ARG  94          HH12      ARG  94  14.641  18.252   1.447
  740   HH21  ARG  94          HH21      ARG  94  13.187  20.116   4.047
  741   HH22  ARG  94          HH22      ARG  94  14.020  20.178   2.511
  742    HA   PRO  95           HA       PRO  95  16.094  14.099   9.418
  743    HB2  PRO  95           HB2      PRO  95  17.080  16.643   9.557
  744    HB3  PRO  95           HB3      PRO  95  17.873  15.343   8.605
  745    HG2  PRO  95           HG2      PRO  95  15.986  17.499   7.609
  746    HG3  PRO  95           HG3      PRO  95  17.570  17.006   6.917
  747    HD2  PRO  95           HD2      PRO  95  15.212  16.056   5.941
  748    HD3  PRO  95           HD3      PRO  95  16.670  15.023   6.023
  749    HA   PRO  96           HA       PRO  96  12.816  15.995  11.705
  750    HB2  PRO  96           HB2      PRO  96  13.898  16.407  14.162
  751    HB3  PRO  96           HB3      PRO  96  13.672  14.762  13.487
  752    HG2  PRO  96           HG2      PRO  96  16.197  16.450  13.430
  753    HG3  PRO  96           HG3      PRO  96  16.018  14.742  13.967
  754    HD2  PRO  96           HD2      PRO  96  16.845  15.377  11.446
  755    HD3  PRO  96           HD3      PRO  96  15.773  13.974  11.745
  756    H    ASP  97           H        ASP  97  15.546  17.786  10.759
  757    HA   ASP  97           HA       ASP  97  16.159  19.962  10.796
  758    HB2  ASP  97           HB2      ASP  97  14.176  19.870   9.278
  759    HB3  ASP  97           HB3      ASP  97  13.160  20.389  10.628
  760    H    SER  98           H        SER  98  15.841  18.810  13.449
  761    HA   SER  98           HA       SER  98  15.550  21.298  15.012
  762    HB2  SER  98           HB2      SER  98  13.312  20.161  14.952
  763    HB3  SER  98           HB3      SER  98  14.056  18.735  15.700
  764    HG   SER  98           HG       SER  98  14.628  20.074  17.465
  765    H    HIS  99           H        HIS  99  17.740  19.432  14.114
  766    HA   HIS  99           HA       HIS  99  18.840  18.793  16.797
  767    HB2  HIS  99           HB2      HIS  99  19.625  16.658  16.017
  768    HB3  HIS  99           HB3      HIS  99  17.883  16.744  15.751
  769    HD2  HIS  99           HD2      HIS  99  19.875  14.773  14.106
  770    HE1  HIS  99           HE1      HIS  99  19.037  17.284  10.783
  771    HE2  HIS  99           HE2      HIS  99  19.924  15.012  11.500
  772    H    HIS 100           H        HIS 100  19.171  20.698  14.187
  773    HA   HIS 100           HA       HIS 100  21.884  20.285  13.355
  774    HB2  HIS 100           HB2      HIS 100  20.133  21.520  12.089
  775    HB3  HIS 100           HB3      HIS 100  20.151  22.785  13.324
  776    HD2  HIS 100           HD2      HIS 100  22.762  21.075  10.949
  777    HE1  HIS 100           HE1      HIS 100  23.715  25.211  11.171
  778    HE2  HIS 100           HE2      HIS 100  24.347  22.987  10.115
  779    H    SER 101           H        SER 101  20.620  21.393  16.332
  780    HA   SER 101           HA       SER 101  23.269  22.281  17.213
  781    HB2  SER 101           HB2      SER 101  22.405  24.410  18.112
  782    HB3  SER 101           HB3      SER 101  22.309  24.358  16.343
  783    HG   SER 101           HG       SER 101  20.371  25.122  17.303
  Start of MODEL    7
    1    H    MET   1           H1       MET   1   3.500 -18.994  -2.996
    2    HA   MET   1           HA       MET   1   5.824 -20.554  -2.106
    3    HB2  MET   1           HB2      MET   1   5.721 -20.273  -4.564
    4    HB3  MET   1           HB3      MET   1   5.580 -18.516  -4.361
    5    HG2  MET   1           HG2      MET   1   7.776 -18.470  -3.243
    6    HG3  MET   1           HG3      MET   1   7.896 -20.229  -3.364
    7    HE1  MET   1           HE1      MET   1  10.687 -19.004  -5.788
    8    HE2  MET   1           HE2      MET   1  10.183 -18.277  -4.247
    9    HE3  MET   1           HE3      MET   1  10.269 -20.049  -4.410
   10    H    SER   2           H        SER   2   6.967 -19.658  -0.516
   11    HA   SER   2           HA       SER   2   7.556 -18.262   1.162
   12    HB2  SER   2           HB2      SER   2   7.334 -16.114  -0.969
   13    HB3  SER   2           HB3      SER   2   8.277 -16.032   0.531
   14    HG   SER   2           HG       SER   2   9.507 -17.790  -0.233
   15    H    TYR   3           H        TYR   3   6.995 -15.727   1.973
   16    HA   TYR   3           HA       TYR   3   4.066 -15.402   2.088
   17    HB2  TYR   3           HB2      TYR   3   4.161 -15.471   4.607
   18    HB3  TYR   3           HB3      TYR   3   4.434 -17.030   3.817
   19    HD1  TYR   3           HD1      TYR   3   6.215 -14.164   5.467
   20    HD2  TYR   3           HD2      TYR   3   6.408 -18.264   4.164
   21    HE1  TYR   3           HE1      TYR   3   8.333 -14.456   6.704
   22    HE2  TYR   3           HE2      TYR   3   8.548 -18.552   5.394
   23    HH   TYR   3           HH       TYR   3  10.027 -15.891   7.272
   24    H    GLY   4           H        GLY   4   7.292 -14.176   2.343
   25    HA2  GLY   4           HA2      GLY   4   7.182 -11.628   1.913
   26    HA3  GLY   4           HA3      GLY   4   6.364 -11.587   3.484
   27    H    ARG   5           H        ARG   5   8.420 -10.113   3.710
   28    HA   ARG   5           HA       ARG   5  10.404 -11.747   5.188
   29    HB2  ARG   5           HB2      ARG   5  11.016  -9.575   3.149
   30    HB3  ARG   5           HB3      ARG   5  12.204 -10.260   4.263
   31    HG2  ARG   5           HG2      ARG   5  11.813 -12.521   3.292
   32    HG3  ARG   5           HG3      ARG   5  10.643 -11.816   2.149
   33    HD2  ARG   5           HD2      ARG   5  12.363 -10.319   1.264
   34    HD3  ARG   5           HD3      ARG   5  13.548 -10.993   2.410
   35    HE   ARG   5           HE       ARG   5  12.483 -13.151   0.930
   36   HH11  ARG   5          HH11      ARG   5  14.466 -10.276   0.362
   37   HH12  ARG   5          HH12      ARG   5  15.319 -10.989  -0.985
   38   HH21  ARG   5          HH21      ARG   5  13.617 -14.055  -0.822
   39   HH22  ARG   5          HH22      ARG   5  14.828 -13.115  -1.667
   40    HA   PRO   6           HA       PRO   6   9.887  -8.454   8.152
   41    HB2  PRO   6           HB2      PRO   6  12.243  -8.569   9.534
   42    HB3  PRO   6           HB3      PRO   6  11.026  -9.881   9.609
   43    HG2  PRO   6           HG2      PRO   6  13.489  -9.713   7.844
   44    HG3  PRO   6           HG3      PRO   6  12.985 -11.073   8.904
   45    HD2  PRO   6           HD2      PRO   6  12.416 -11.046   6.239
   46    HD3  PRO   6           HD3      PRO   6  11.235 -11.680   7.421
   47    HA   PRO   7           HA       PRO   7  11.698  -4.618   6.835
   48    HB2  PRO   7           HB2      PRO   7  12.795  -4.392   9.641
   49    HB3  PRO   7           HB3      PRO   7  11.966  -3.139   8.675
   50    HG2  PRO   7           HG2      PRO   7  10.595  -4.486  10.575
   51    HG3  PRO   7           HG3      PRO   7   9.842  -4.248   8.961
   52    HD2  PRO   7           HD2      PRO   7  11.232  -6.706  10.041
   53    HD3  PRO   7           HD3      PRO   7   9.715  -6.585   9.092
   54    HA   PRO   8           HA       PRO   8  16.034  -5.318   6.059
   55    HB2  PRO   8           HB2      PRO   8  16.832  -2.917   5.104
   56    HB3  PRO   8           HB3      PRO   8  15.547  -3.849   4.300
   57    HG2  PRO   8           HG2      PRO   8  15.183  -1.602   6.307
   58    HG3  PRO   8           HG3      PRO   8  14.443  -1.754   4.673
   59    HD2  PRO   8           HD2      PRO   8  13.181  -2.553   6.977
   60    HD3  PRO   8           HD3      PRO   8  12.948  -3.402   5.413
   61    H    ASP   9           H        ASP   9  17.526  -2.473   6.629
   62    HA   ASP   9           HA       ASP   9  17.924  -3.012   9.540
   63    HB2  ASP   9           HB2      ASP   9  20.051  -2.410   7.456
   64    HB3  ASP   9           HB3      ASP   9  20.318  -2.571   9.204
   65    H    VAL  10           H        VAL  10  17.055  -0.821   7.158
   66    HA   VAL  10           HA       VAL  10  16.819   1.412   7.005
   67    HB   VAL  10           HB       VAL  10  15.535   2.376   8.820
   68   HG11  VAL  10          HG11      VAL  10  14.915  -0.587   8.443
   69   HG12  VAL  10          HG12      VAL  10  13.774   0.676   8.949
   70   HG13  VAL  10          HG13      VAL  10  14.474   0.719   7.317
   71   HG21  VAL  10          HG21      VAL  10  16.896   1.525  10.752
   72   HG22  VAL  10          HG22      VAL  10  15.150   1.217  10.929
   73   HG23  VAL  10          HG23      VAL  10  16.233  -0.098  10.455
   74    H    GLU  11           H        GLU  11  19.587   0.711   7.653
   75    HA   GLU  11           HA       GLU  11  20.658   2.467   9.621
   76    HB2  GLU  11           HB2      GLU  11  21.867   1.117   7.172
   77    HB3  GLU  11           HB3      GLU  11  22.817   1.956   8.417
   78    HG2  GLU  11           HG2      GLU  11  21.867   0.427  10.137
   79    HG3  GLU  11           HG3      GLU  11  21.021  -0.453   8.849
   80    H    GLY  12           H        GLY  12  19.067   3.491   6.897
   81    HA2  GLY  12           HA2      GLY  12  20.260   6.105   6.985
   82    HA3  GLY  12           HA3      GLY  12  20.785   5.219   5.540
   83    H    MET  13           H        MET  13  17.576   4.759   7.032
   84    HA   MET  13           HA       MET  13  16.314   6.357   4.862
   85    HB2  MET  13           HB2      MET  13  15.684   3.450   5.509
   86    HB3  MET  13           HB3      MET  13  14.824   4.458   4.339
   87    HG2  MET  13           HG2      MET  13  16.881   4.690   3.003
   88    HG3  MET  13           HG3      MET  13  17.769   3.698   4.162
   89    HE1  MET  13           HE1      MET  13  17.453   1.147   4.524
   90    HE2  MET  13           HE2      MET  13  15.725   1.373   4.890
   91    HE3  MET  13           HE3      MET  13  16.229   0.158   3.694
   92    H    THR  14           H        THR  14  14.289   7.142   5.383
   93    HA   THR  14           HA       THR  14  12.901   6.172   7.768
   94    HB   THR  14           HB       THR  14  13.346   9.133   7.495
   95   HG21  THR  14          HG21      THR  14  12.591   7.400   9.900
   96   HG22  THR  14          HG22      THR  14  12.344   9.156   9.708
   97   HG23  THR  14          HG23      THR  14  11.390   7.978   8.757
   98    H    SER  15           H        SER  15  12.200   5.622   5.411
   99    HA   SER  15           HA       SER  15   9.595   6.948   5.023
  100    HB2  SER  15           HB2      SER  15   9.990   7.300   2.602
  101    HB3  SER  15           HB3      SER  15  11.069   8.318   3.578
  102    HG   SER  15           HG       SER  15  12.697   6.777   3.269
  103    H    LEU  16           H        LEU  16   8.123   5.614   4.407
  104    HA   LEU  16           HA       LEU  16   8.997   2.848   3.641
  105    HB2  LEU  16           HB2      LEU  16   7.487   3.219   5.670
  106    HB3  LEU  16           HB3      LEU  16   6.240   3.769   4.536
  107    HG   LEU  16           HG       LEU  16   6.362   1.532   3.398
  108   HD11  LEU  16          HD11      LEU  16   8.169   0.841   5.766
  109   HD12  LEU  16          HD12      LEU  16   7.525  -0.302   4.571
  110   HD13  LEU  16          HD13      LEU  16   8.688   0.934   4.068
  111   HD21  LEU  16          HD21      LEU  16   4.675   2.000   5.117
  112   HD22  LEU  16          HD22      LEU  16   5.211   0.310   5.200
  113   HD23  LEU  16          HD23      LEU  16   5.811   1.483   6.394
  114    H    LYS  17           H        LYS  17   7.831   1.788   1.966
  115    HA   LYS  17           HA       LYS  17   6.221   3.358   0.041
  116    HB2  LYS  17           HB2      LYS  17   8.237   3.584  -1.082
  117    HB3  LYS  17           HB3      LYS  17   8.886   2.076  -0.415
  118    HG2  LYS  17           HG2      LYS  17   8.560   1.826  -2.768
  119    HG3  LYS  17           HG3      LYS  17   7.415   0.773  -1.912
  120    HD2  LYS  17           HD2      LYS  17   5.704   2.680  -2.247
  121    HD3  LYS  17           HD3      LYS  17   6.883   3.382  -3.379
  122    HE2  LYS  17           HE2      LYS  17   5.630   0.616  -3.543
  123    HE3  LYS  17           HE3      LYS  17   5.224   2.008  -4.561
  124    HZ1  LYS  17           HZ1      LYS  17   7.862   0.703  -4.473
  125    HZ2  LYS  17           HZ2      LYS  17   6.726   0.479  -5.632
  126    HZ3  LYS  17           HZ3      LYS  17   7.433   1.957  -5.451
  127    H    VAL  18           H        VAL  18   4.487   2.180  -0.507
  128    HA   VAL  18           HA       VAL  18   4.582  -0.803  -0.121
  129    HB   VAL  18           HB       VAL  18   2.505   1.274   0.506
  130   HG11  VAL  18          HG11      VAL  18   2.019  -1.699   0.015
  131   HG12  VAL  18          HG12      VAL  18   0.850  -0.604   0.791
  132   HG13  VAL  18          HG13      VAL  18   1.312  -0.359  -0.907
  133   HG21  VAL  18          HG21      VAL  18   4.119   0.479   2.241
  134   HG22  VAL  18          HG22      VAL  18   2.433   0.070   2.637
  135   HG23  VAL  18          HG23      VAL  18   3.526  -1.174   1.979
  136    H    ASP  19           H        ASP  19   3.628  -2.028  -1.597
  137    HA   ASP  19           HA       ASP  19   3.033  -0.921  -4.301
  138    HB2  ASP  19           HB2      ASP  19   5.503  -1.464  -3.606
  139    HB3  ASP  19           HB3      ASP  19   4.988  -3.154  -3.724
  140    H    ASN  20           H        ASN  20   2.714  -2.964  -5.781
  141    HA   ASN  20           HA       ASN  20   1.475  -4.660  -6.467
  142    HB2  ASN  20           HB2      ASN  20   2.932  -5.778  -4.639
  143    HB3  ASN  20           HB3      ASN  20   1.397  -5.929  -3.758
  144   HD21  ASN  20          HD22      ASN  20   0.867  -8.097  -3.976
  145   HD22  ASN  20          HD21      ASN  20   0.802  -8.943  -5.498
  146    H    LEU  21           H        LEU  21  -0.460  -4.089  -7.117
  147    HA   LEU  21           HA       LEU  21  -2.699  -3.951  -5.145
  148    HB2  LEU  21           HB2      LEU  21  -2.332  -2.140  -7.548
  149    HB3  LEU  21           HB3      LEU  21  -3.592  -2.022  -6.308
  150    HG   LEU  21           HG       LEU  21  -0.621  -1.522  -5.867
  151   HD11  LEU  21          HD11      LEU  21  -1.859   0.108  -7.339
  152   HD12  LEU  21          HD12      LEU  21  -3.069   0.312  -6.053
  153   HD13  LEU  21          HD13      LEU  21  -1.401   0.851  -5.799
  154   HD21  LEU  21          HD21      LEU  21  -1.994  -2.369  -3.871
  155   HD22  LEU  21          HD22      LEU  21  -1.103  -0.857  -3.699
  156   HD23  LEU  21          HD23      LEU  21  -2.872  -0.817  -3.982
  157    H    THR  22           H        THR  22  -4.842  -3.826  -6.445
  158    HA   THR  22           HA       THR  22  -4.714  -5.660  -8.792
  159    HB   THR  22           HB       THR  22  -5.378  -6.842  -6.700
  160   HG21  THR  22          HG21      THR  22  -6.559  -5.052  -5.520
  161   HG22  THR  22          HG22      THR  22  -7.811  -5.007  -6.796
  162   HG23  THR  22          HG23      THR  22  -7.629  -6.439  -5.767
  163    H    TYR  23           H        TYR  23  -5.147  -2.617  -8.335
  164    HA   TYR  23           HA       TYR  23  -6.150  -1.015  -9.579
  165    HB2  TYR  23           HB2      TYR  23  -6.765  -1.669 -11.578
  166    HB3  TYR  23           HB3      TYR  23  -6.878  -3.335 -11.035
  167    HD1  TYR  23           HD1      TYR  23  -9.213  -3.801  -9.616
  168    HD2  TYR  23           HD2      TYR  23  -8.591  -0.759 -12.595
  169    HE1  TYR  23           HE1      TYR  23 -11.644  -3.729 -10.038
  170    HE2  TYR  23           HE2      TYR  23 -11.038  -0.679 -13.022
  171    HH   TYR  23           HH       TYR  23 -13.339  -2.767 -11.246
  172    H    ARG  24           H        ARG  24  -7.573  -2.877  -7.281
  173    HA   ARG  24           HA       ARG  24  -9.842  -0.955  -6.880
  174    HB2  ARG  24           HB2      ARG  24 -10.574  -3.132  -7.681
  175    HB3  ARG  24           HB3      ARG  24  -9.684  -3.935  -6.387
  176    HG2  ARG  24           HG2      ARG  24 -11.172  -2.813  -4.701
  177    HG3  ARG  24           HG3      ARG  24 -12.023  -2.013  -6.046
  178    HD2  ARG  24           HD2      ARG  24 -13.276  -3.977  -5.392
  179    HD3  ARG  24           HD3      ARG  24 -12.529  -4.282  -6.973
  180    HE   ARG  24           HE       ARG  24 -10.835  -5.169  -4.797
  181   HH11  ARG  24          HH11      ARG  24 -13.671  -6.100  -6.689
  182   HH12  ARG  24          HH12      ARG  24 -13.428  -7.812  -6.431
  183   HH21  ARG  24          HH21      ARG  24 -10.541  -7.376  -4.466
  184   HH22  ARG  24          HH22      ARG  24 -11.646  -8.538  -5.173
  185    H    THR  25           H        THR  25  -6.895  -2.157  -5.609
  186    HA   THR  25           HA       THR  25  -7.459  -2.313  -2.849
  187    HB   THR  25           HB       THR  25  -4.952  -1.431  -4.316
  188   HG21  THR  25          HG21      THR  25  -4.764  -0.746  -2.020
  189   HG22  THR  25          HG22      THR  25  -5.440  -2.283  -1.432
  190   HG23  THR  25          HG23      THR  25  -3.830  -2.250  -2.198
  191    H    SER  26           H        SER  26  -6.525   0.481  -4.876
  192    HA   SER  26           HA       SER  26  -6.609   2.687  -4.618
  193    HB2  SER  26           HB2      SER  26  -8.953   1.882  -2.875
  194    HB3  SER  26           HB3      SER  26  -8.641   3.559  -3.356
  195    HG   SER  26           HG       SER  26  -8.813   2.910  -5.519
  196    HA   PRO  27           HA       PRO  27  -4.221   4.293  -1.305
  197    HB2  PRO  27           HB2      PRO  27  -5.104   6.906  -1.214
  198    HB3  PRO  27           HB3      PRO  27  -3.949   6.239  -2.412
  199    HG2  PRO  27           HG2      PRO  27  -6.896   6.775  -2.693
  200    HG3  PRO  27           HG3      PRO  27  -5.607   7.020  -3.905
  201    HD2  PRO  27           HD2      PRO  27  -7.304   4.879  -3.931
  202    HD3  PRO  27           HD3      PRO  27  -5.617   4.750  -4.494
  203    H    ASP  28           H        ASP  28  -7.774   4.665  -1.085
  204    HA   ASP  28           HA       ASP  28  -7.734   5.692   1.604
  205    HB2  ASP  28           HB2      ASP  28  -9.603   5.897  -0.040
  206    HB3  ASP  28           HB3      ASP  28  -9.888   4.149   0.142
  207    H    THR  29           H        THR  29  -8.157   2.373   0.213
  208    HA   THR  29           HA       THR  29  -8.735   1.152   2.743
  209    HB   THR  29           HB       THR  29  -7.379  -0.139   0.354
  210   HG21  THR  29          HG21      THR  29  -7.497  -1.525   2.370
  211   HG22  THR  29          HG22      THR  29  -9.248  -1.223   2.503
  212   HG23  THR  29          HG23      THR  29  -8.598  -2.150   1.130
  213    H    LEU  30           H        LEU  30  -5.775   1.712   0.819
  214    HA   LEU  30           HA       LEU  30  -3.970   0.347   2.544
  215    HB2  LEU  30           HB2      LEU  30  -3.605   2.761   0.713
  216    HB3  LEU  30           HB3      LEU  30  -2.277   1.833   1.430
  217    HG   LEU  30           HG       LEU  30  -4.390   0.517  -0.304
  218   HD11  LEU  30          HD11      LEU  30  -2.772   0.774  -2.165
  219   HD12  LEU  30          HD12      LEU  30  -3.329   2.348  -1.567
  220   HD13  LEU  30          HD13      LEU  30  -1.714   1.750  -1.109
  221   HD21  LEU  30          HD21      LEU  30  -3.019  -0.979   1.102
  222   HD22  LEU  30          HD22      LEU  30  -2.590  -1.156  -0.614
  223   HD23  LEU  30          HD23      LEU  30  -1.534  -0.229   0.471
  224    H    ARG  31           H        ARG  31  -5.390   3.642   2.637
  225    HA   ARG  31           HA       ARG  31  -3.511   4.770   4.406
  226    HB2  ARG  31           HB2      ARG  31  -5.602   5.764   3.063
  227    HB3  ARG  31           HB3      ARG  31  -6.461   5.454   4.571
  228    HG2  ARG  31           HG2      ARG  31  -4.090   7.281   4.084
  229    HG3  ARG  31           HG3      ARG  31  -5.721   7.722   4.635
  230    HD2  ARG  31           HD2      ARG  31  -5.261   6.446   6.752
  231    HD3  ARG  31           HD3      ARG  31  -3.599   6.206   6.176
  232    HE   ARG  31           HE       ARG  31  -3.114   8.481   6.484
  233   HH11  ARG  31          HH11      ARG  31  -6.501   7.802   7.252
  234   HH12  ARG  31          HH12      ARG  31  -6.737   9.320   8.080
  235   HH21  ARG  31          HH21      ARG  31  -3.452  10.454   7.552
  236   HH22  ARG  31          HH22      ARG  31  -5.007  10.822   8.250
  237    H    ARG  32           H        ARG  32  -6.696   3.277   5.153
  238    HA   ARG  32           HA       ARG  32  -6.098   3.333   8.010
  239    HB2  ARG  32           HB2      ARG  32  -8.387   2.406   8.215
  240    HB3  ARG  32           HB3      ARG  32  -8.352   3.761   7.086
  241    HG2  ARG  32           HG2      ARG  32  -7.862   1.692   5.358
  242    HG3  ARG  32           HG3      ARG  32  -8.874   0.871   6.552
  243    HD2  ARG  32           HD2      ARG  32  -9.529   3.466   5.088
  244    HD3  ARG  32           HD3      ARG  32 -10.177   1.861   4.676
  245    HE   ARG  32           HE       ARG  32 -10.822   2.270   7.368
  246   HH11  ARG  32          HH11      ARG  32 -11.513   3.882   4.281
  247   HH12  ARG  32          HH12      ARG  32 -13.053   4.492   4.829
  248   HH21  ARG  32          HH21      ARG  32 -12.832   3.090   8.031
  249   HH22  ARG  32          HH22      ARG  32 -13.802   4.051   6.935
  250    H    VAL  33           H        VAL  33  -5.189   1.228   5.559
  251    HA   VAL  33           HA       VAL  33  -5.099  -1.173   7.285
  252    HB   VAL  33           HB       VAL  33  -4.486  -0.514   4.409
  253   HG11  VAL  33          HG11      VAL  33  -3.681  -3.072   5.857
  254   HG12  VAL  33          HG12      VAL  33  -3.750  -2.887   4.088
  255   HG13  VAL  33          HG13      VAL  33  -2.601  -1.922   5.034
  256   HG21  VAL  33          HG21      VAL  33  -6.137  -2.682   5.797
  257   HG22  VAL  33          HG22      VAL  33  -6.798  -1.155   5.192
  258   HG23  VAL  33          HG23      VAL  33  -6.113  -2.323   4.039
  259    H    PHE  34           H        PHE  34  -3.182   1.598   6.590
  260    HA   PHE  34           HA       PHE  34  -0.740   0.188   7.619
  261    HB2  PHE  34           HB2      PHE  34  -1.176   2.183   5.384
  262    HB3  PHE  34           HB3      PHE  34   0.353   2.168   6.247
  263    HD1  PHE  34           HD2      PHE  34   1.671   0.070   6.451
  264    HD2  PHE  34           HD1      PHE  34  -1.555   0.560   3.675
  265    HE1  PHE  34           HE2      PHE  34   2.546  -1.842   5.100
  266    HE2  PHE  34           HE1      PHE  34  -0.685  -1.315   2.308
  267    HZ   PHE  34           HZ       PHE  34   1.342  -2.561   3.057
  268    H    GLU  35           H        GLU  35  -2.627   3.260   7.591
  269    HA   GLU  35           HA       GLU  35  -0.799   4.466   9.346
  270    HB2  GLU  35           HB2      GLU  35  -2.307   6.282   9.519
  271    HB3  GLU  35           HB3      GLU  35  -2.641   5.575   7.943
  272    HG2  GLU  35           HG2      GLU  35  -4.768   5.940   8.778
  273    HG3  GLU  35           HG3      GLU  35  -4.495   4.235   9.181
  274    H    LYS  36           H        LYS  36  -3.116   2.007   9.781
  275    HA   LYS  36           HA       LYS  36  -4.107   2.488  12.358
  276    HB2  LYS  36           HB2      LYS  36  -4.674   0.104  12.328
  277    HB3  LYS  36           HB3      LYS  36  -4.990   0.839  10.739
  278    HG2  LYS  36           HG2      LYS  36  -2.667  -0.025  10.043
  279    HG3  LYS  36           HG3      LYS  36  -2.659  -0.948  11.560
  280    HD2  LYS  36           HD2      LYS  36  -4.561  -1.245   9.220
  281    HD3  LYS  36           HD3      LYS  36  -3.388  -2.424   9.840
  282    HE2  LYS  36           HE2      LYS  36  -4.713  -2.414  12.012
  283    HE3  LYS  36           HE3      LYS  36  -5.934  -1.435  11.156
  284    HZ1  LYS  36           HZ1      LYS  36  -6.177  -3.215   9.578
  285    HZ2  LYS  36           HZ2      LYS  36  -5.044  -4.122  10.350
  286    HZ3  LYS  36           HZ3      LYS  36  -6.457  -3.768  11.105
  287    H    TYR  37           H        TYR  37  -1.036   1.092  11.256
  288    HA   TYR  37           HA       TYR  37  -0.361   0.072  13.848
  289    HB2  TYR  37           HB2      TYR  37   1.329   0.696  11.392
  290    HB3  TYR  37           HB3      TYR  37   1.927  -0.159  12.815
  291    HD1  TYR  37           HD1      TYR  37   1.146  -2.421  13.357
  292    HD2  TYR  37           HD2      TYR  37  -0.191  -0.382   9.812
  293    HE1  TYR  37           HE1      TYR  37   0.273  -4.556  12.460
  294    HE2  TYR  37           HE2      TYR  37  -1.051  -2.506   8.899
  295    HH   TYR  37           HH       TYR  37  -0.862  -5.583  10.735
  296    H    GLY  38           H        GLY  38  -0.161   3.192  12.297
  297    HA2  GLY  38           HA2      GLY  38   0.564   4.492  14.749
  298    HA3  GLY  38           HA3      GLY  38   1.961   4.420  13.649
  299    H    ARG  39           H        ARG  39   1.418   5.136  11.285
  300    HA   ARG  39           HA       ARG  39  -0.837   6.834  10.841
  301    HB2  ARG  39           HB2      ARG  39   0.942   8.153  12.404
  302    HB3  ARG  39           HB3      ARG  39   1.755   8.381  10.854
  303    HG2  ARG  39           HG2      ARG  39   0.342  10.286  11.381
  304    HG3  ARG  39           HG3      ARG  39  -0.285   9.466   9.940
  305    HD2  ARG  39           HD2      ARG  39  -2.005   8.368  11.233
  306    HD3  ARG  39           HD3      ARG  39  -1.292   8.938  12.752
  307    HE   ARG  39           HE       ARG  39  -1.785  11.295  11.581
  308   HH11  ARG  39          HH11      ARG  39  -3.888   8.438  11.697
  309   HH12  ARG  39          HH12      ARG  39  -5.348   9.387  11.705
  310   HH21  ARG  39          HH21      ARG  39  -3.709  12.491  11.552
  311   HH22  ARG  39          HH22      ARG  39  -5.250  11.671  11.603
  312    H    VAL  40           H        VAL  40  -0.608   8.032   8.759
  313    HA   VAL  40           HA       VAL  40   1.426   6.855   6.937
  314    HB   VAL  40           HB       VAL  40  -1.583   7.108   6.543
  315   HG11  VAL  40          HG11      VAL  40  -0.565   7.980   4.490
  316   HG12  VAL  40          HG12      VAL  40   0.590   6.618   4.466
  317   HG13  VAL  40          HG13      VAL  40  -1.149   6.326   4.220
  318   HG21  VAL  40          HG21      VAL  40  -0.376   4.979   7.482
  319   HG22  VAL  40          HG22      VAL  40  -1.515   4.773   6.110
  320   HG23  VAL  40          HG23      VAL  40   0.234   4.801   5.826
  321    H    GLY  41           H        GLY  41   2.691   8.585   6.881
  322    HA2  GLY  41           HA2      GLY  41   1.933  11.313   6.795
  323    HA3  GLY  41           HA3      GLY  41   3.470  10.632   6.216
  324    H    ASP  42           H        ASP  42   2.048   8.857   4.234
  325    HA   ASP  42           HA       ASP  42   0.832  10.710   2.311
  326    HB2  ASP  42           HB2      ASP  42   3.581   9.440   2.011
  327    HB3  ASP  42           HB3      ASP  42   2.626   9.920   0.612
  328    H    VAL  43           H        VAL  43  -0.465   9.566   0.864
  329    HA   VAL  43           HA       VAL  43   0.057   6.719   0.445
  330    HB   VAL  43           HB       VAL  43  -1.566   7.290   2.516
  331   HG11  VAL  43          HG11      VAL  43  -3.507   6.945   0.216
  332   HG12  VAL  43          HG12      VAL  43  -3.894   6.917   1.945
  333   HG13  VAL  43          HG13      VAL  43  -3.309   8.422   1.201
  334   HG21  VAL  43          HG21      VAL  43  -1.775   4.958   0.627
  335   HG22  VAL  43          HG22      VAL  43  -0.812   5.121   2.137
  336   HG23  VAL  43          HG23      VAL  43  -2.568   5.054   2.219
  337    H    TYR  44           H        TYR  44   0.134   6.637  -1.725
  338    HA   TYR  44           HA       TYR  44  -2.194   7.627  -3.211
  339    HB2  TYR  44           HB2      TYR  44  -1.197   9.220  -4.504
  340    HB3  TYR  44           HB3      TYR  44  -0.448   9.543  -2.951
  341    HD1  TYR  44           HD2      TYR  44   0.008   8.286  -6.361
  342    HD2  TYR  44           HD1      TYR  44   1.959   9.003  -2.601
  343    HE1  TYR  44           HE2      TYR  44   2.203   8.074  -7.482
  344    HE2  TYR  44           HE1      TYR  44   4.175   8.829  -3.713
  345    HH   TYR  44           HH       TYR  44   5.292   8.473  -5.686
  346    H    ILE  45           H        ILE  45  -2.033   7.080  -5.558
  347    HA   ILE  45           HA       ILE  45  -0.413   4.604  -5.955
  348    HB   ILE  45           HB       ILE  45  -3.320   5.155  -6.631
  349   HG12  ILE  45          HG12      ILE  45  -3.694   2.948  -5.635
  350   HG13  ILE  45          HG13      ILE  45  -1.970   2.789  -5.263
  351   HG21  ILE  45          HG21      ILE  45  -3.284   3.084  -7.935
  352   HG22  ILE  45          HG22      ILE  45  -2.118   4.225  -8.625
  353   HG23  ILE  45          HG23      ILE  45  -1.539   2.884  -7.615
  354   HD11  ILE  45          HD11      ILE  45  -3.601   5.086  -4.174
  355   HD12  ILE  45          HD12      ILE  45  -3.583   3.481  -3.389
  356   HD13  ILE  45          HD13      ILE  45  -2.077   4.392  -3.545
  357    HA   PRO  46           HA       PRO  46   0.943   7.191  -9.432
  358    HB2  PRO  46           HB2      PRO  46   3.016   5.596 -10.211
  359    HB3  PRO  46           HB3      PRO  46   3.064   6.640  -8.753
  360    HG2  PRO  46           HG2      PRO  46   2.401   3.695  -8.916
  361    HG3  PRO  46           HG3      PRO  46   3.540   4.537  -7.788
  362    HD2  PRO  46           HD2      PRO  46   0.999   3.861  -7.091
  363    HD3  PRO  46           HD3      PRO  46   1.797   5.352  -6.495
  364    H    ARG  47           H        ARG  47  -1.413   5.831  -9.833
  365    HA   ARG  47           HA       ARG  47  -1.329   3.791 -11.824
  366    HB2  ARG  47           HB2      ARG  47  -3.695   4.067 -11.963
  367    HB3  ARG  47           HB3      ARG  47  -3.268   4.343 -10.274
  368    HG2  ARG  47           HG2      ARG  47  -3.224   6.842 -10.837
  369    HG3  ARG  47           HG3      ARG  47  -3.928   6.374 -12.414
  370    HD2  ARG  47           HD2      ARG  47  -5.825   5.306 -11.254
  371    HD3  ARG  47           HD3      ARG  47  -5.142   5.750  -9.686
  372    HE   ARG  47           HE       ARG  47  -6.575   7.475 -11.566
  373   HH11  ARG  47          HH11      ARG  47  -4.304   7.399  -8.852
  374   HH12  ARG  47          HH12      ARG  47  -4.687   9.025  -8.336
  375   HH21  ARG  47          HH21      ARG  47  -7.032   9.598 -10.877
  376   HH22  ARG  47          HH22      ARG  47  -6.210  10.271  -9.489
  377    H    ASP  48           H        ASP  48  -3.038   4.493 -13.798
  378    HA   ASP  48           HA       ASP  48  -1.369   5.443 -15.824
  379    HB2  ASP  48           HB2      ASP  48  -3.245   5.161 -17.195
  380    HB3  ASP  48           HB3      ASP  48  -3.528   4.014 -15.868
  381    H    ARG  49           H        ARG  49  -2.291   7.108 -17.457
  382    HA   ARG  49           HA       ARG  49  -3.458   9.513 -16.236
  383    HB2  ARG  49           HB2      ARG  49  -0.994   9.759 -16.069
  384    HB3  ARG  49           HB3      ARG  49  -0.843   9.506 -17.804
  385    HG2  ARG  49           HG2      ARG  49  -0.639  11.864 -17.178
  386    HG3  ARG  49           HG3      ARG  49  -2.014  11.629 -18.242
  387    HD2  ARG  49           HD2      ARG  49  -2.296  11.696 -15.212
  388    HD3  ARG  49           HD3      ARG  49  -2.331  13.166 -16.209
  389    HE   ARG  49           HE       ARG  49  -4.195  11.523 -17.399
  390   HH11  ARG  49          HH11      ARG  49  -3.736  12.847 -14.161
  391   HH12  ARG  49          HH12      ARG  49  -5.443  12.863 -13.790
  392   HH21  ARG  49          HH21      ARG  49  -6.415  11.569 -16.913
  393   HH22  ARG  49          HH22      ARG  49  -6.966  12.143 -15.359
  394    H    TYR  50           H        TYR  50  -3.631   7.159 -18.519
  395    HA   TYR  50           HA       TYR  50  -5.150   8.821 -20.390
  396    HB2  TYR  50           HB2      TYR  50  -3.808   7.975 -22.322
  397    HB3  TYR  50           HB3      TYR  50  -2.947   9.112 -21.288
  398    HD1  TYR  50           HD2      TYR  50  -1.118   8.381 -19.824
  399    HD2  TYR  50           HD1      TYR  50  -3.087   5.652 -22.505
  400    HE1  TYR  50           HE2      TYR  50   0.740   6.751 -19.531
  401    HE2  TYR  50           HE1      TYR  50  -1.235   4.026 -22.214
  402    HH   TYR  50           HH       TYR  50   0.766   3.582 -21.200
  403    H    THR  51           H        THR  51  -5.418   6.317 -18.503
  404    HA   THR  51           HA       THR  51  -6.914   4.699 -20.481
  405    HB   THR  51           HB       THR  51  -6.052   2.619 -19.630
  406   HG21  THR  51          HG21      THR  51  -3.685   4.446 -20.202
  407   HG22  THR  51          HG22      THR  51  -3.756   2.682 -20.412
  408   HG23  THR  51          HG23      THR  51  -4.744   3.735 -21.448
  409    H    LYS  52           H        LYS  52  -7.514   2.642 -18.512
  410    HA   LYS  52           HA       LYS  52  -9.147   4.161 -16.539
  411    HB2  LYS  52           HB2      LYS  52 -10.115   1.893 -18.334
  412    HB3  LYS  52           HB3      LYS  52 -10.999   2.566 -16.963
  413    HG2  LYS  52           HG2      LYS  52 -11.968   3.716 -18.686
  414    HG3  LYS  52           HG3      LYS  52 -10.723   4.860 -18.181
  415    HD2  LYS  52           HD2      LYS  52  -9.281   4.078 -20.079
  416    HD3  LYS  52           HD3      LYS  52 -10.514   2.872 -20.494
  417    HE2  LYS  52           HE2      LYS  52 -10.729   4.801 -21.960
  418    HE3  LYS  52           HE3      LYS  52 -12.145   4.675 -20.915
  419    HZ1  LYS  52           HZ1      LYS  52 -11.182   6.372 -19.508
  420    HZ2  LYS  52           HZ2      LYS  52  -9.858   6.486 -20.479
  421    HZ3  LYS  52           HZ3      LYS  52 -11.333   6.923 -21.047
  422    H    GLU  53           H        GLU  53  -6.562   2.655 -16.366
  423    HA   GLU  53           HA       GLU  53  -7.348   0.802 -14.193
  424    HB2  GLU  53           HB2      GLU  53  -5.850  -0.931 -15.028
  425    HB3  GLU  53           HB3      GLU  53  -7.120  -0.580 -16.207
  426    HG2  GLU  53           HG2      GLU  53  -5.549   0.842 -17.485
  427    HG3  GLU  53           HG3      GLU  53  -4.265   0.485 -16.319
  428    H    SER  54           H        SER  54  -4.802  -0.129 -13.529
  429    HA   SER  54           HA       SER  54  -3.254   2.376 -13.026
  430    HB2  SER  54           HB2      SER  54  -4.625   1.854 -11.062
  431    HB3  SER  54           HB3      SER  54  -3.946   0.205 -11.014
  432    HG   SER  54           HG       SER  54  -2.852   1.649  -9.616
  433    H    ARG  55           H        ARG  55  -1.038   1.796 -12.142
  434    HA   ARG  55           HA       ARG  55   0.275   0.056 -14.041
  435    HB2  ARG  55           HB2      ARG  55   1.228   1.550 -11.577
  436    HB3  ARG  55           HB3      ARG  55   2.307   0.750 -12.744
  437    HG2  ARG  55           HG2      ARG  55   0.381   3.025 -13.390
  438    HG3  ARG  55           HG3      ARG  55   2.132   3.189 -13.134
  439    HD2  ARG  55           HD2      ARG  55   2.543   1.675 -15.055
  440    HD3  ARG  55           HD3      ARG  55   0.792   1.550 -15.320
  441    HE   ARG  55           HE       ARG  55   1.743   4.288 -15.281
  442   HH11  ARG  55          HH11      ARG  55   1.323   1.417 -17.307
  443   HH12  ARG  55          HH12      ARG  55   1.252   2.345 -18.796
  444   HH21  ARG  55          HH21      ARG  55   1.672   5.455 -17.265
  445   HH22  ARG  55          HH22      ARG  55   1.460   4.588 -18.769
  446    H    GLY  56           H        GLY  56  -1.083  -0.459 -10.891
  447    HA2  GLY  56           HA2      GLY  56  -1.439  -2.706 -10.153
  448    HA3  GLY  56           HA3      GLY  56   0.052  -3.210 -10.959
  449    H    PHE  57           H        PHE  57   0.342  -0.239  -9.126
  450    HA   PHE  57           HA       PHE  57   1.124  -1.574  -6.626
  451    HB2  PHE  57           HB2      PHE  57   3.336  -0.923  -6.647
  452    HB3  PHE  57           HB3      PHE  57   3.090  -1.778  -8.177
  453    HD1  PHE  57           HD1      PHE  57   2.689  -0.198 -10.289
  454    HD2  PHE  57           HD2      PHE  57   4.356   1.095  -6.546
  455    HE1  PHE  57           HE1      PHE  57   3.701   1.776 -11.411
  456    HE2  PHE  57           HE2      PHE  57   5.377   3.055  -7.677
  457    HZ   PHE  57           HZ       PHE  57   5.009   3.419 -10.101
  458    H    ALA  58           H        ALA  58   1.518  -0.080  -4.934
  459    HA   ALA  58           HA       ALA  58   0.240   2.575  -5.411
  460    HB1  ALA  58           HB1      ALA  58  -0.246   2.481  -2.958
  461    HB2  ALA  58           HB2      ALA  58  -1.007   1.164  -3.842
  462    HB3  ALA  58           HB3      ALA  58   0.482   0.856  -2.909
  463    H    PHE  59           H        PHE  59   1.056   3.751  -3.051
  464    HA   PHE  59           HA       PHE  59   3.909   3.580  -2.606
  465    HB2  PHE  59           HB2      PHE  59   3.199   5.017  -4.859
  466    HB3  PHE  59           HB3      PHE  59   3.052   6.270  -3.652
  467    HD1  PHE  59           HD1      PHE  59   5.373   5.724  -1.843
  468    HD2  PHE  59           HD2      PHE  59   5.031   5.386  -6.118
  469    HE1  PHE  59           HE1      PHE  59   7.809   6.091  -2.071
  470    HE2  PHE  59           HE2      PHE  59   7.468   5.721  -6.348
  471    HZ   PHE  59           HZ       PHE  59   8.869   6.068  -4.323
  472    H    VAL  60           H        VAL  60   2.406   2.953  -0.753
  473    HA   VAL  60           HA       VAL  60   1.589   5.426   0.632
  474    HB   VAL  60           HB       VAL  60   0.924   4.351   2.370
  475   HG11  VAL  60          HG11      VAL  60  -0.107   2.170   1.922
  476   HG12  VAL  60          HG12      VAL  60  -0.368   3.368   0.639
  477   HG13  VAL  60          HG13      VAL  60   0.782   2.058   0.382
  478   HG21  VAL  60          HG21      VAL  60   2.834   3.653   3.394
  479   HG22  VAL  60          HG22      VAL  60   1.754   2.263   3.384
  480   HG23  VAL  60          HG23      VAL  60   3.129   2.343   2.235
  481    H    ARG  61           H        ARG  61   2.870   6.704   1.942
  482    HA   ARG  61           HA       ARG  61   5.609   5.715   2.515
  483    HB2  ARG  61           HB2      ARG  61   6.241   7.061   0.776
  484    HB3  ARG  61           HB3      ARG  61   4.874   8.190   0.972
  485    HG2  ARG  61           HG2      ARG  61   5.899   9.102   3.014
  486    HG3  ARG  61           HG3      ARG  61   7.228   7.918   2.875
  487    HD2  ARG  61           HD2      ARG  61   7.737   8.965   0.611
  488    HD3  ARG  61           HD3      ARG  61   6.597  10.254   1.037
  489    HE   ARG  61           HE       ARG  61   9.297   9.884   1.993
  490   HH11  ARG  61          HH11      ARG  61   6.131  11.255   2.939
  491   HH12  ARG  61          HH12      ARG  61   6.858  12.239   4.184
  492   HH21  ARG  61          HH21      ARG  61  10.133  11.226   3.659
  493   HH22  ARG  61          HH22      ARG  61   9.026  12.247   4.561
  494    H    PHE  62           H        PHE  62   6.415   5.973   4.230
  495    HA   PHE  62           HA       PHE  62   4.723   7.270   6.348
  496    HB2  PHE  62           HB2      PHE  62   6.710   5.014   6.390
  497    HB3  PHE  62           HB3      PHE  62   6.281   5.906   7.844
  498    HD1  PHE  62           HD1      PHE  62   3.918   5.033   5.024
  499    HD2  PHE  62           HD2      PHE  62   5.144   4.322   9.099
  500    HE1  PHE  62           HE1      PHE  62   1.847   3.780   5.411
  501    HE2  PHE  62           HE2      PHE  62   3.104   2.974   9.462
  502    HZ   PHE  62           HZ       PHE  62   1.476   2.679   7.668
  503    H    HIS  63           H        HIS  63   5.513   8.730   7.682
  504    HA   HIS  63           HA       HIS  63   7.870  10.284   6.872
  505    HB2  HIS  63           HB2      HIS  63   6.842  11.861   8.568
  506    HB3  HIS  63           HB3      HIS  63   5.772  11.428   7.223
  507    HD2  HIS  63           HD2      HIS  63   3.472  11.774   8.586
  508    HE1  HIS  63           HE1      HIS  63   4.091   8.698  11.458
  509    HE2  HIS  63           HE2      HIS  63   2.408  10.383  10.519
  510    H    ASP  64           H        ASP  64   7.260   7.705   8.969
  511    HA   ASP  64           HA       ASP  64   9.601   8.383  10.645
  512    HB2  ASP  64           HB2      ASP  64   7.539   9.179  11.815
  513    HB3  ASP  64           HB3      ASP  64   6.923   7.524  11.796
  514    H    LYS  65           H        LYS  65  10.921   6.706  10.468
  515    HA   LYS  65           HA       LYS  65  10.292   4.292   9.206
  516    HB2  LYS  65           HB2      LYS  65  12.500   3.584   9.836
  517    HB3  LYS  65           HB3      LYS  65  12.532   5.317   9.460
  518    HG2  LYS  65           HG2      LYS  65  12.178   5.626  12.051
  519    HG3  LYS  65           HG3      LYS  65  12.695   3.928  12.151
  520    HD2  LYS  65           HD2      LYS  65  14.254   6.247  10.941
  521    HD3  LYS  65           HD3      LYS  65  14.597   5.451  12.485
  522    HE2  LYS  65           HE2      LYS  65  15.110   3.354  11.330
  523    HE3  LYS  65           HE3      LYS  65  14.655   4.077   9.774
  524    HZ1  LYS  65           HZ1      LYS  65  17.032   4.106  10.116
  525    HZ2  LYS  65           HZ2      LYS  65  16.446   5.639  10.037
  526    HZ3  LYS  65           HZ3      LYS  65  16.872   4.990  11.487
  527    H    ARG  66           H        ARG  66   9.880   5.164  12.618
  528    HA   ARG  66           HA       ARG  66   9.960   2.458  13.619
  529    HB2  ARG  66           HB2      ARG  66   8.660   4.980  14.735
  530    HB3  ARG  66           HB3      ARG  66   8.962   3.489  15.641
  531    HG2  ARG  66           HG2      ARG  66  11.049   5.370  14.457
  532    HG3  ARG  66           HG3      ARG  66  10.691   5.102  16.170
  533    HD2  ARG  66           HD2      ARG  66  11.402   2.717  15.913
  534    HD3  ARG  66           HD3      ARG  66  11.824   3.055  14.227
  535    HE   ARG  66           HE       ARG  66  13.101   4.812  16.207
  536   HH11  ARG  66          HH11      ARG  66  13.395   1.858  14.271
  537   HH12  ARG  66          HH12      ARG  66  15.133   1.825  14.390
  538   HH21  ARG  66          HH21      ARG  66  15.360   4.742  16.336
  539   HH22  ARG  66          HH22      ARG  66  16.242   3.464  15.542
  540    H    ASP  67           H        ASP  67   7.275   4.692  12.751
  541    HA   ASP  67           HA       ASP  67   5.215   2.752  13.267
  542    HB2  ASP  67           HB2      ASP  67   5.261   5.195  11.436
  543    HB3  ASP  67           HB3      ASP  67   3.813   4.274  11.873
  544    H    ALA  68           H        ALA  68   7.402   3.408  10.572
  545    HA   ALA  68           HA       ALA  68   5.907   1.855   8.640
  546    HB1  ALA  68           HB1      ALA  68   8.790   2.845   8.759
  547    HB2  ALA  68           HB2      ALA  68   8.016   2.138   7.326
  548    HB3  ALA  68           HB3      ALA  68   7.418   3.684   7.989
  549    H    GLU  69           H        GLU  69   8.535   1.198  10.984
  550    HA   GLU  69           HA       GLU  69   9.396  -1.302   9.949
  551    HB2  GLU  69           HB2      GLU  69   9.403   0.058  12.648
  552    HB3  GLU  69           HB3      GLU  69   9.786  -1.665  12.552
  553    HG2  GLU  69           HG2      GLU  69  11.562  -1.169  10.867
  554    HG3  GLU  69           HG3      GLU  69  11.205   0.551  10.997
  555    H    ASP  70           H        ASP  70   6.880  -0.563  12.466
  556    HA   ASP  70           HA       ASP  70   6.364  -3.382  12.821
  557    HB2  ASP  70           HB2      ASP  70   4.599  -1.016  13.544
  558    HB3  ASP  70           HB3      ASP  70   4.495  -2.664  14.179
  559    H    ALA  71           H        ALA  71   4.716  -0.778  10.941
  560    HA   ALA  71           HA       ALA  71   2.510  -2.346  10.109
  561    HB1  ALA  71           HB1      ALA  71   2.268  -0.673   8.347
  562    HB2  ALA  71           HB2      ALA  71   2.704   0.132   9.862
  563    HB3  ALA  71           HB3      ALA  71   3.937  -0.101   8.609
  564    H    MET  72           H        MET  72   5.751  -1.847   8.581
  565    HA   MET  72           HA       MET  72   5.252  -3.483   6.301
  566    HB2  MET  72           HB2      MET  72   7.054  -1.898   6.336
  567    HB3  MET  72           HB3      MET  72   7.721  -2.584   7.826
  568    HG2  MET  72           HG2      MET  72   8.511  -4.519   6.746
  569    HG3  MET  72           HG3      MET  72   7.558  -4.223   5.289
  570    HE1  MET  72           HE1      MET  72  10.954  -1.304   6.464
  571    HE2  MET  72           HE2      MET  72   9.245  -1.065   6.870
  572    HE3  MET  72           HE3      MET  72  10.145  -2.405   7.613
  573    H    ASP  73           H        ASP  73   6.615  -4.219   9.555
  574    HA   ASP  73           HA       ASP  73   7.212  -6.943   8.919
  575    HB2  ASP  73           HB2      ASP  73   8.261  -5.637  10.772
  576    HB3  ASP  73           HB3      ASP  73   6.707  -5.610  11.615
  577    H    ALA  74           H        ALA  74   4.249  -5.367   9.192
  578    HA   ALA  74           HA       ALA  74   2.865  -7.903   9.902
  579    HB1  ALA  74           HB1      ALA  74   2.135  -5.043  10.646
  580    HB2  ALA  74           HB2      ALA  74   1.168  -6.499  11.028
  581    HB3  ALA  74           HB3      ALA  74   2.777  -6.267  11.752
  582    H    MET  75           H        MET  75   3.546  -6.017   7.317
  583    HA   MET  75           HA       MET  75   0.862  -6.508   6.121
  584    HB2  MET  75           HB2      MET  75   2.486  -3.949   6.060
  585    HB3  MET  75           HB3      MET  75   1.285  -4.322   4.835
  586    HG2  MET  75           HG2      MET  75   0.739  -4.169   7.827
  587    HG3  MET  75           HG3      MET  75   0.339  -2.937   6.630
  588    HE1  MET  75           HE1      MET  75  -0.434  -5.256   4.247
  589    HE2  MET  75           HE2      MET  75  -2.196  -4.984   4.335
  590    HE3  MET  75           HE3      MET  75  -1.068  -3.606   4.411
  591    H    ASP  76           H        ASP  76   4.374  -6.649   5.712
  592    HA   ASP  76           HA       ASP  76   4.291  -6.769   2.848
  593    HB2  ASP  76           HB2      ASP  76   6.369  -6.397   4.177
  594    HB3  ASP  76           HB3      ASP  76   6.269  -8.069   4.755
  595    H    GLY  77           H        GLY  77   3.290  -8.227   1.628
  596    HA2  GLY  77           HA2      GLY  77   2.533 -10.202   0.831
  597    HA3  GLY  77           HA3      GLY  77   3.550 -11.061   2.015
  598    H    ALA  78           H        ALA  78   1.152  -8.650   2.968
  599    HA   ALA  78           HA       ALA  78  -0.147 -10.668   4.654
  600    HB1  ALA  78           HB1      ALA  78  -0.531  -7.658   4.427
  601    HB2  ALA  78           HB2      ALA  78  -1.242  -8.701   5.677
  602    HB3  ALA  78           HB3      ALA  78   0.516  -8.502   5.601
  603    H    VAL  79           H        VAL  79  -0.561  -9.853   1.531
  604    HA   VAL  79           HA       VAL  79  -2.353  -9.633   0.092
  605    HB   VAL  79           HB       VAL  79  -1.780 -11.913  -0.025
  606   HG11  VAL  79          HG11      VAL  79  -2.712 -13.653   1.428
  607   HG12  VAL  79          HG12      VAL  79  -1.672 -12.511   2.303
  608   HG13  VAL  79          HG13      VAL  79  -3.448 -12.401   2.461
  609   HG21  VAL  79          HG21      VAL  79  -3.773 -11.251  -1.155
  610   HG22  VAL  79          HG22      VAL  79  -3.710 -12.975  -0.735
  611   HG23  VAL  79          HG23      VAL  79  -4.765 -11.899   0.198
  612    H    LEU  80           H        LEU  80  -3.229  -7.719   1.262
  613    HA   LEU  80           HA       LEU  80  -5.628  -8.122   2.809
  614    HB2  LEU  80           HB2      LEU  80  -5.921  -5.694   2.623
  615    HB3  LEU  80           HB3      LEU  80  -4.295  -6.144   3.117
  616    HG   LEU  80           HG       LEU  80  -3.534  -5.818   0.744
  617   HD11  LEU  80          HD11      LEU  80  -4.920  -4.289  -0.670
  618   HD12  LEU  80          HD12      LEU  80  -5.601  -5.913  -0.545
  619   HD13  LEU  80          HD13      LEU  80  -6.298  -4.577   0.419
  620   HD21  LEU  80          HD21      LEU  80  -3.541  -3.342   0.920
  621   HD22  LEU  80          HD22      LEU  80  -4.796  -3.447   2.174
  622   HD23  LEU  80          HD23      LEU  80  -3.172  -4.130   2.463
  623    H    ASP  81           H        ASP  81  -5.127  -8.723  -0.459
  624    HA   ASP  81           HA       ASP  81  -8.056  -8.461  -0.861
  625    HB2  ASP  81           HB2      ASP  81  -7.048  -6.570  -2.043
  626    HB3  ASP  81           HB3      ASP  81  -5.936  -7.650  -2.895
  627    H    GLY  82           H        GLY  82  -5.068  -9.821  -2.419
  628    HA2  GLY  82           HA2      GLY  82  -5.418 -12.439  -1.974
  629    HA3  GLY  82           HA3      GLY  82  -6.632 -12.186  -3.268
  630    H    ARG  83           H        ARG  83  -3.563 -10.469  -3.011
  631    HA   ARG  83           HA       ARG  83  -2.403 -12.105  -5.212
  632    HB2  ARG  83           HB2      ARG  83  -1.699  -9.981  -6.285
  633    HB3  ARG  83           HB3      ARG  83  -3.468 -10.214  -6.307
  634    HG2  ARG  83           HG2      ARG  83  -3.823  -8.666  -4.532
  635    HG3  ARG  83           HG3      ARG  83  -2.137  -8.691  -4.040
  636    HD2  ARG  83           HD2      ARG  83  -3.425  -7.254  -6.344
  637    HD3  ARG  83           HD3      ARG  83  -2.358  -6.647  -5.049
  638    HE   ARG  83           HE       ARG  83  -0.470  -7.380  -6.231
  639   HH11  ARG  83          HH11      ARG  83  -3.445  -8.268  -7.972
  640   HH12  ARG  83          HH12      ARG  83  -2.595  -8.601  -9.455
  641   HH21  ARG  83          HH21      ARG  83   0.578  -7.802  -8.196
  642   HH22  ARG  83          HH22      ARG  83  -0.336  -8.339  -9.587
  643    H    GLU  84           H        GLU  84  -1.979 -10.094  -2.401
  644    HA   GLU  84           HA       GLU  84  -0.490 -10.615  -0.741
  645    HB2  GLU  84           HB2      GLU  84   0.542 -12.400  -2.616
  646    HB3  GLU  84           HB3      GLU  84   1.910 -11.332  -2.242
  647    HG2  GLU  84           HG2      GLU  84   1.267 -11.687   0.225
  648    HG3  GLU  84           HG3      GLU  84   0.162 -12.937  -0.337
  649    H    LEU  85           H        LEU  85  -0.599  -8.536  -0.254
  650    HA   LEU  85           HA       LEU  85   0.420  -6.307  -1.513
  651    HB2  LEU  85           HB2      LEU  85  -0.987  -6.874   0.698
  652    HB3  LEU  85           HB3      LEU  85   0.551  -6.625   1.492
  653    HG   LEU  85           HG       LEU  85  -0.949  -4.673   1.524
  654   HD11  LEU  85          HD11      LEU  85   1.403  -3.940  -0.225
  655   HD12  LEU  85          HD12      LEU  85   0.595  -2.985   1.020
  656   HD13  LEU  85          HD13      LEU  85   1.575  -4.396   1.500
  657   HD21  LEU  85          HD21      LEU  85  -2.022  -5.073  -0.700
  658   HD22  LEU  85          HD22      LEU  85  -1.484  -3.400  -0.460
  659   HD23  LEU  85          HD23      LEU  85  -0.528  -4.490  -1.477
  660    H    ARG  86           H        ARG  86   2.336  -4.978  -1.069
  661    HA   ARG  86           HA       ARG  86   4.717  -6.501  -0.100
  662    HB2  ARG  86           HB2      ARG  86   4.447  -4.783  -2.600
  663    HB3  ARG  86           HB3      ARG  86   5.984  -5.400  -1.965
  664    HG2  ARG  86           HG2      ARG  86   3.648  -7.110  -2.898
  665    HG3  ARG  86           HG3      ARG  86   5.101  -6.745  -3.844
  666    HD2  ARG  86           HD2      ARG  86   6.514  -7.802  -2.110
  667    HD3  ARG  86           HD3      ARG  86   5.067  -8.175  -1.152
  668    HE   ARG  86           HE       ARG  86   5.559  -9.287  -3.891
  669   HH11  ARG  86          HH11      ARG  86   4.439  -9.678  -0.550
  670   HH12  ARG  86          HH12      ARG  86   4.055 -11.374  -0.778
  671   HH21  ARG  86          HH21      ARG  86   4.994 -11.493  -4.129
  672   HH22  ARG  86          HH22      ARG  86   4.326 -12.366  -2.759
  673    H    VAL  87           H        VAL  87   6.085  -5.363   1.177
  674    HA   VAL  87           HA       VAL  87   5.712  -2.424   1.338
  675    HB   VAL  87           HB       VAL  87   5.794  -4.238   3.785
  676   HG11  VAL  87          HG11      VAL  87   5.246  -1.284   3.281
  677   HG12  VAL  87          HG12      VAL  87   4.969  -2.085   4.841
  678   HG13  VAL  87          HG13      VAL  87   6.610  -2.021   4.157
  679   HG21  VAL  87          HG21      VAL  87   3.710  -4.761   2.704
  680   HG22  VAL  87          HG22      VAL  87   3.380  -3.665   4.061
  681   HG23  VAL  87          HG23      VAL  87   3.372  -3.056   2.382
  682    H    GLN  88           H        GLN  88   7.514  -1.309   1.710
  683    HA   GLN  88           HA       GLN  88   9.946  -2.404   2.822
  684    HB2  GLN  88           HB2      GLN  88  11.229  -2.148   0.653
  685    HB3  GLN  88           HB3      GLN  88  10.170  -3.567   0.732
  686    HG2  GLN  88           HG2      GLN  88   8.468  -2.456  -0.606
  687    HG3  GLN  88           HG3      GLN  88   9.384  -0.940  -0.592
  688   HE21  GLN  88          HE22      GLN  88   8.478  -2.437  -2.932
  689   HE22  GLN  88          HE21      GLN  88   9.922  -2.918  -3.805
  690    H    MET  89           H        MET  89  11.533  -0.793   3.109
  691    HA   MET  89           HA       MET  89  10.757   1.867   3.384
  692    HB2  MET  89           HB2      MET  89  13.458   0.550   2.987
  693    HB3  MET  89           HB3      MET  89  13.284   2.270   3.407
  694    HG2  MET  89           HG2      MET  89  11.891   0.106   4.997
  695    HG3  MET  89           HG3      MET  89  13.562   0.538   5.336
  696    HE1  MET  89           HE1      MET  89  10.390   0.870   6.915
  697    HE2  MET  89           HE2      MET  89  11.968   0.642   7.702
  698    HE3  MET  89           HE3      MET  89  10.977   2.068   8.097
  699    H    ALA  90           H        ALA  90  11.003   3.722   2.158
  700    HA   ALA  90           HA       ALA  90  10.898   3.286  -0.745
  701    HB1  ALA  90           HB1      ALA  90  10.102   5.601  -0.811
  702    HB2  ALA  90           HB2      ALA  90   9.206   4.682   0.405
  703    HB3  ALA  90           HB3      ALA  90  10.490   5.800   0.920
  704    H    ARG  91           H        ARG  91  13.441   3.638   1.303
  705    HA   ARG  91           HA       ARG  91  15.605   4.220   1.032
  706    HB2  ARG  91           HB2      ARG  91  15.231   2.928  -1.068
  707    HB3  ARG  91           HB3      ARG  91  14.940   4.451  -1.923
  708    HG2  ARG  91           HG2      ARG  91  17.438   4.596  -0.427
  709    HG3  ARG  91           HG3      ARG  91  17.413   3.156  -1.465
  710    HD2  ARG  91           HD2      ARG  91  16.844   4.497  -3.418
  711    HD3  ARG  91           HD3      ARG  91  16.703   5.953  -2.436
  712    HE   ARG  91           HE       ARG  91  19.170   4.686  -3.373
  713   HH11  ARG  91          HH11      ARG  91  17.759   6.892  -0.998
  714   HH12  ARG  91          HH12      ARG  91  19.267   7.728  -0.707
  715   HH21  ARG  91          HH21      ARG  91  21.113   5.807  -2.998
  716   HH22  ARG  91          HH22      ARG  91  21.155   7.109  -1.831
  717    H    TYR  92           H        TYR  92  13.531   6.327   1.495
  718    HA   TYR  92           HA       TYR  92  15.210   8.663   0.697
  719    HB2  TYR  92           HB2      TYR  92  12.202   8.632   1.068
  720    HB3  TYR  92           HB3      TYR  92  13.198   9.974   0.508
  721    HD1  TYR  92           HD2      TYR  92  14.883   8.911  -1.567
  722    HD2  TYR  92           HD1      TYR  92  10.826   7.875  -0.600
  723    HE1  TYR  92           HE2      TYR  92  14.518   8.179  -3.911
  724    HE2  TYR  92           HE1      TYR  92  10.458   7.096  -2.934
  725    HH   TYR  92           HH       TYR  92  11.372   6.859  -5.019
  726    H    GLY  93           H        GLY  93  14.297  10.629   2.223
  727    HA2  GLY  93           HA2      GLY  93  13.671   9.903   4.941
  728    HA3  GLY  93           HA3      GLY  93  15.397  10.237   4.745
  729    H    ARG  94           H        ARG  94  14.576  11.931   6.386
  730    HA   ARG  94           HA       ARG  94  14.165  14.482   4.943
  731    HB2  ARG  94           HB2      ARG  94  12.446  13.401   7.224
  732    HB3  ARG  94           HB3      ARG  94  12.461  15.100   6.748
  733    HG2  ARG  94           HG2      ARG  94  11.632  12.800   4.933
  734    HG3  ARG  94           HG3      ARG  94  10.532  13.874   5.814
  735    HD2  ARG  94           HD2      ARG  94  11.526  15.831   4.622
  736    HD3  ARG  94           HD3      ARG  94  12.513  14.726   3.662
  737    HE   ARG  94           HE       ARG  94   9.557  15.036   3.576
  738   HH11  ARG  94          HH11      ARG  94  12.451  13.469   2.256
  739   HH12  ARG  94          HH12      ARG  94  11.650  12.990   0.781
  740   HH21  ARG  94          HH21      ARG  94   8.551  14.398   1.669
  741   HH22  ARG  94          HH22      ARG  94   9.435  13.498   0.455
  742    HA   PRO  95           HA       PRO  95  16.995  15.833   8.122
  743    HB2  PRO  95           HB2      PRO  95  16.558  18.527   8.126
  744    HB3  PRO  95           HB3      PRO  95  17.273  17.688   6.706
  745    HG2  PRO  95           HG2      PRO  95  14.381  18.454   7.158
  746    HG3  PRO  95           HG3      PRO  95  15.397  18.786   5.714
  747    HD2  PRO  95           HD2      PRO  95  13.708  16.642   5.823
  748    HD3  PRO  95           HD3      PRO  95  15.307  16.536   5.014
  749    HA   PRO  96           HA       PRO  96  14.739  16.076  11.905
  750    HB2  PRO  96           HB2      PRO  96  16.369  17.506  13.571
  751    HB3  PRO  96           HB3      PRO  96  16.825  15.901  12.900
  752    HG2  PRO  96           HG2      PRO  96  17.585  18.630  11.826
  753    HG3  PRO  96           HG3      PRO  96  18.668  17.248  12.203
  754    HD2  PRO  96           HD2      PRO  96  17.763  17.688   9.682
  755    HD3  PRO  96           HD3      PRO  96  17.910  16.025  10.331
  756    H    ASP  97           H        ASP  97  14.320  18.378   9.831
  757    HA   ASP  97           HA       ASP  97  12.874  20.151  11.717
  758    HB2  ASP  97           HB2      ASP  97  15.080  21.162  11.112
  759    HB3  ASP  97           HB3      ASP  97  14.607  21.107   9.409
  760    H    SER  98           H        SER  98  12.658  18.029   9.217
  761    HA   SER  98           HA       SER  98  10.115  19.200   8.278
  762    HB2  SER  98           HB2      SER  98  12.333  18.269   6.409
  763    HB3  SER  98           HB3      SER  98  10.687  18.712   5.920
  764    HG   SER  98           HG       SER  98  12.543  20.426   7.221
  765    H    HIS  99           H        HIS  99  11.513  16.752   9.807
  766    HA   HIS  99           HA       HIS  99  10.794  14.412   8.360
  767    HB2  HIS  99           HB2      HIS  99  11.056  13.310  10.556
  768    HB3  HIS  99           HB3      HIS  99  12.400  14.392  10.184
  769    HD2  HIS  99           HD2      HIS  99   9.607  13.858  12.705
  770    HE1  HIS  99           HE1      HIS  99  11.605  17.415  13.919
  771    HE2  HIS  99           HE2      HIS  99   9.868  15.661  14.585
  772    H    HIS 100           H        HIS 100   8.743  16.785   9.647
  773    HA   HIS 100           HA       HIS 100   6.610  15.096  10.592
  774    HB2  HIS 100           HB2      HIS 100   6.550  17.932   9.499
  775    HB3  HIS 100           HB3      HIS 100   5.298  17.159  10.485
  776    HD2  HIS 100           HD2      HIS 100   5.850  16.807  13.130
  777    HE1  HIS 100           HE1      HIS 100   9.340  19.232  13.231
  778    HE2  HIS 100           HE2      HIS 100   7.615  18.010  14.648
  779    H    SER 101           H        SER 101   7.842  15.695   7.453
  780    HA   SER 101           HA       SER 101   5.478  14.457   6.193
  781    HB2  SER 101           HB2      SER 101   6.654  17.129   5.311
  782    HB3  SER 101           HB3      SER 101   5.439  16.191   4.428
  783    HG   SER 101           HG       SER 101   4.510  17.828   5.758
  Start of MODEL    8
    1    H    MET   1           H1       MET   1   3.801  -9.898  13.440
    2    HA   MET   1           HA       MET   1   5.591  -9.811  11.881
    3    HB2  MET   1           HB2      MET   1   6.012 -10.657  14.163
    4    HB3  MET   1           HB3      MET   1   5.647 -12.305  13.625
    5    HG2  MET   1           HG2      MET   1   7.526 -12.166  12.001
    6    HG3  MET   1           HG3      MET   1   7.841 -10.504  12.519
    7    HE1  MET   1           HE1      MET   1   7.980 -14.303  13.403
    8    HE2  MET   1           HE2      MET   1   8.573 -14.297  15.078
    9    HE3  MET   1           HE3      MET   1   6.934 -13.711  14.717
   10    H    SER   2           H        SER   2   5.205 -10.080   9.719
   11    HA   SER   2           HA       SER   2   5.673 -12.783   8.638
   12    HB2  SER   2           HB2      SER   2   3.271 -11.084   7.837
   13    HB3  SER   2           HB3      SER   2   3.778 -12.612   7.093
   14    HG   SER   2           HG       SER   2   2.115 -12.890   8.656
   15    H    TYR   3           H        TYR   3   5.918 -12.621   6.172
   16    HA   TYR   3           HA       TYR   3   6.610  -9.971   5.146
   17    HB2  TYR   3           HB2      TYR   3   8.930 -10.541   4.703
   18    HB3  TYR   3           HB3      TYR   3   8.616 -10.583   6.441
   19    HD1  TYR   3           HD1      TYR   3   8.276 -12.844   7.570
   20    HD2  TYR   3           HD2      TYR   3   9.769 -12.441   3.551
   21    HE1  TYR   3           HE1      TYR   3   9.138 -15.161   7.663
   22    HE2  TYR   3           HE2      TYR   3  10.646 -14.760   3.643
   23    HH   TYR   3           HH       TYR   3  10.265 -16.813   6.554
   24    H    GLY   4           H        GLY   4   7.323 -10.083   2.938
   25    HA2  GLY   4           HA2      GLY   4   6.625 -12.584   1.446
   26    HA3  GLY   4           HA3      GLY   4   6.130 -10.946   0.907
   27    H    ARG   5           H        ARG   5   8.749  -9.915   2.016
   28    HA   ARG   5           HA       ARG   5  10.754 -10.941   0.069
   29    HB2  ARG   5           HB2      ARG   5   9.713  -8.119   0.452
   30    HB3  ARG   5           HB3      ARG   5  11.280  -8.462  -0.307
   31    HG2  ARG   5           HG2      ARG   5  10.147  -9.867  -2.010
   32    HG3  ARG   5           HG3      ARG   5   8.572  -9.496  -1.272
   33    HD2  ARG   5           HD2      ARG   5   8.930  -7.107  -1.660
   34    HD3  ARG   5           HD3      ARG   5  10.534  -7.445  -2.357
   35    HE   ARG   5           HE       ARG   5   8.837  -8.980  -3.893
   36   HH11  ARG   5          HH11      ARG   5   8.944  -5.549  -3.049
   37   HH12  ARG   5          HH12      ARG   5   8.181  -5.042  -4.537
   38   HH21  ARG   5          HH21      ARG   5   7.866  -8.292  -5.828
   39   HH22  ARG   5          HH22      ARG   5   7.584  -6.593  -6.110
   40    HA   PRO   6           HA       PRO   6  13.382 -10.530   3.584
   41    HB2  PRO   6           HB2      PRO   6  15.792  -9.707   2.545
   42    HB3  PRO   6           HB3      PRO   6  15.111 -11.346   2.298
   43    HG2  PRO   6           HG2      PRO   6  14.941  -8.969   0.436
   44    HG3  PRO   6           HG3      PRO   6  15.411 -10.654   0.030
   45    HD2  PRO   6           HD2      PRO   6  12.890  -9.742  -0.388
   46    HD3  PRO   6           HD3      PRO   6  13.173 -11.406   0.201
   47    HA   PRO   7           HA       PRO   7  13.048  -6.329   4.873
   48    HB2  PRO   7           HB2      PRO   7  14.523  -6.326   7.159
   49    HB3  PRO   7           HB3      PRO   7  13.027  -7.305   6.999
   50    HG2  PRO   7           HG2      PRO   7  15.890  -8.223   6.599
   51    HG3  PRO   7           HG3      PRO   7  14.619  -8.989   7.615
   52    HD2  PRO   7           HD2      PRO   7  15.149  -9.827   5.070
   53    HD3  PRO   7           HD3      PRO   7  13.480  -9.802   5.720
   54    HA   PRO   8           HA       PRO   8  16.803  -4.110   3.708
   55    HB2  PRO   8           HB2      PRO   8  16.126  -1.603   4.380
   56    HB3  PRO   8           HB3      PRO   8  15.067  -2.513   3.266
   57    HG2  PRO   8           HG2      PRO   8  14.733  -2.182   6.267
   58    HG3  PRO   8           HG3      PRO   8  13.514  -1.891   4.983
   59    HD2  PRO   8           HD2      PRO   8  13.803  -4.246   6.404
   60    HD3  PRO   8           HD3      PRO   8  13.111  -4.170   4.738
   61    H    ASP   9           H        ASP   9  17.464  -1.805   5.448
   62    HA   ASP   9           HA       ASP   9  18.344  -3.095   7.977
   63    HB2  ASP   9           HB2      ASP   9  20.235  -1.824   5.957
   64    HB3  ASP   9           HB3      ASP   9  20.684  -2.328   7.593
   65    H    VAL  10           H        VAL  10  17.675  -0.210   6.095
   66    HA   VAL  10           HA       VAL  10  17.502   1.966   6.572
   67    HB   VAL  10           HB       VAL  10  15.974   2.509   8.331
   68   HG11  VAL  10          HG11      VAL  10  15.187   1.481   6.256
   69   HG12  VAL  10          HG12      VAL  10  15.300  -0.137   6.999
   70   HG13  VAL  10          HG13      VAL  10  14.147   1.058   7.640
   71   HG21  VAL  10          HG21      VAL  10  15.155   0.864   9.938
   72   HG22  VAL  10          HG22      VAL  10  16.244  -0.373   9.284
   73   HG23  VAL  10          HG23      VAL  10  16.914   1.046  10.133
   74    H    GLU  11           H        GLU  11  20.099   0.853   7.535
   75    HA   GLU  11           HA       GLU  11  20.797   2.131   9.979
   76    HB2  GLU  11           HB2      GLU  11  22.428   1.243   7.573
   77    HB3  GLU  11           HB3      GLU  11  23.149   1.826   9.087
   78    HG2  GLU  11           HG2      GLU  11  21.982   0.022  10.328
   79    HG3  GLU  11           HG3      GLU  11  21.304  -0.579   8.806
   80    H    GLY  12           H        GLY  12  19.778   3.652   7.191
   81    HA2  GLY  12           HA2      GLY  12  20.860   6.203   8.020
   82    HA3  GLY  12           HA3      GLY  12  21.614   5.604   6.525
   83    H    MET  13           H        MET  13  18.250   4.707   7.093
   84    HA   MET  13           HA       MET  13  17.355   6.944   5.351
   85    HB2  MET  13           HB2      MET  13  16.673   4.019   4.864
   86    HB3  MET  13           HB3      MET  13  16.047   5.413   3.982
   87    HG2  MET  13           HG2      MET  13  17.671   4.567   2.576
   88    HG3  MET  13           HG3      MET  13  18.452   5.949   3.348
   89    HE1  MET  13           HE1      MET  13  18.298   2.090   2.874
   90    HE2  MET  13           HE2      MET  13  19.306   1.469   4.202
   91    HE3  MET  13           HE3      MET  13  17.745   2.245   4.557
   92    H    THR  14           H        THR  14  15.097   7.272   5.309
   93    HA   THR  14           HA       THR  14  13.325   5.819   7.149
   94    HB   THR  14           HB       THR  14  13.853   8.822   7.362
   95   HG21  THR  14          HG21      THR  14  11.736   7.018   8.616
   96   HG22  THR  14          HG22      THR  14  12.139   8.649   9.211
   97   HG23  THR  14          HG23      THR  14  11.472   8.432   7.577
   98    H    SER  15           H        SER  15  11.271   5.895   6.371
   99    HA   SER  15           HA       SER  15   9.457   6.989   5.087
  100    HB2  SER  15           HB2      SER  15  11.627   7.228   2.963
  101    HB3  SER  15           HB3      SER  15   9.896   7.400   2.666
  102    HG   SER  15           HG       SER  15  11.463   8.985   4.394
  103    H    LEU  16           H        LEU  16   8.070   5.648   4.474
  104    HA   LEU  16           HA       LEU  16   9.006   2.919   3.675
  105    HB2  LEU  16           HB2      LEU  16   7.494   3.255   5.683
  106    HB3  LEU  16           HB3      LEU  16   6.244   3.827   4.560
  107    HG   LEU  16           HG       LEU  16   6.305   1.609   3.404
  108   HD11  LEU  16          HD11      LEU  16   8.648   0.983   4.002
  109   HD12  LEU  16          HD12      LEU  16   8.153   0.826   5.703
  110   HD13  LEU  16          HD13      LEU  16   7.481  -0.262   4.476
  111   HD21  LEU  16          HD21      LEU  16   5.172   0.375   5.199
  112   HD22  LEU  16          HD22      LEU  16   5.826   1.501   6.402
  113   HD23  LEU  16          HD23      LEU  16   4.675   2.075   5.169
  114    H    LYS  17           H        LYS  17   7.803   1.848   1.978
  115    HA   LYS  17           HA       LYS  17   6.170   3.432   0.089
  116    HB2  LYS  17           HB2      LYS  17   8.175   3.656  -1.038
  117    HB3  LYS  17           HB3      LYS  17   8.808   2.111  -0.429
  118    HG2  LYS  17           HG2      LYS  17   8.412   1.875  -2.757
  119    HG3  LYS  17           HG3      LYS  17   7.185   0.915  -1.906
  120    HD2  LYS  17           HD2      LYS  17   5.579   2.806  -2.198
  121    HD3  LYS  17           HD3      LYS  17   6.830   3.688  -3.122
  122    HE2  LYS  17           HE2      LYS  17   5.558   1.038  -3.850
  123    HE3  LYS  17           HE3      LYS  17   5.257   2.597  -4.630
  124    HZ1  LYS  17           HZ1      LYS  17   7.857   1.234  -4.565
  125    HZ2  LYS  17           HZ2      LYS  17   6.828   1.227  -5.837
  126    HZ3  LYS  17           HZ3      LYS  17   7.525   2.645  -5.358
  127    H    VAL  18           H        VAL  18   4.487   2.187  -0.615
  128    HA   VAL  18           HA       VAL  18   4.611  -0.781  -0.161
  129    HB   VAL  18           HB       VAL  18   2.499   1.252   0.511
  130   HG11  VAL  18          HG11      VAL  18   2.031  -1.735   0.051
  131   HG12  VAL  18          HG12      VAL  18   0.883  -0.633   0.848
  132   HG13  VAL  18          HG13      VAL  18   1.295  -0.403  -0.858
  133   HG21  VAL  18          HG21      VAL  18   4.139   0.528   2.218
  134   HG22  VAL  18          HG22      VAL  18   2.495   0.024   2.647
  135   HG23  VAL  18          HG23      VAL  18   3.655  -1.158   1.957
  136    H    ASP  19           H        ASP  19   3.697  -2.037  -1.628
  137    HA   ASP  19           HA       ASP  19   2.961  -0.925  -4.296
  138    HB2  ASP  19           HB2      ASP  19   4.998  -3.071  -3.580
  139    HB3  ASP  19           HB3      ASP  19   4.473  -2.688  -5.218
  140    H    ASN  20           H        ASN  20   2.506  -2.901  -5.752
  141    HA   ASN  20           HA       ASN  20   1.245  -4.588  -6.417
  142    HB2  ASN  20           HB2      ASN  20   2.671  -5.805  -4.682
  143    HB3  ASN  20           HB3      ASN  20   1.210  -5.822  -3.682
  144   HD21  ASN  20          HD22      ASN  20   0.979  -8.120  -3.880
  145   HD22  ASN  20          HD21      ASN  20   0.460  -8.865  -5.377
  146    H    LEU  21           H        LEU  21  -0.691  -4.114  -7.067
  147    HA   LEU  21           HA       LEU  21  -2.897  -3.798  -5.085
  148    HB2  LEU  21           HB2      LEU  21  -2.538  -2.176  -7.632
  149    HB3  LEU  21           HB3      LEU  21  -3.787  -1.952  -6.398
  150    HG   LEU  21           HG       LEU  21  -0.805  -1.467  -6.074
  151   HD11  LEU  21          HD11      LEU  21  -3.197   0.418  -6.314
  152   HD12  LEU  21          HD12      LEU  21  -1.513   0.910  -6.036
  153   HD13  LEU  21          HD13      LEU  21  -1.961   0.127  -7.561
  154   HD21  LEU  21          HD21      LEU  21  -2.932  -0.538  -4.137
  155   HD22  LEU  21          HD22      LEU  21  -2.239  -2.170  -3.983
  156   HD23  LEU  21          HD23      LEU  21  -1.171  -0.770  -3.898
  157    H    THR  22           H        THR  22  -5.048  -4.006  -6.158
  158    HA   THR  22           HA       THR  22  -4.932  -5.918  -8.441
  159    HB   THR  22           HB       THR  22  -5.574  -6.958  -6.308
  160   HG21  THR  22          HG21      THR  22  -6.699  -5.044  -5.227
  161   HG22  THR  22          HG22      THR  22  -8.011  -5.131  -6.424
  162   HG23  THR  22          HG23      THR  22  -7.758  -6.470  -5.284
  163    H    TYR  23           H        TYR  23  -5.196  -2.899  -8.357
  164    HA   TYR  23           HA       TYR  23  -6.148  -1.380  -9.726
  165    HB2  TYR  23           HB2      TYR  23  -6.735  -2.292 -11.644
  166    HB3  TYR  23           HB3      TYR  23  -7.019  -3.844 -10.876
  167    HD1  TYR  23           HD1      TYR  23  -9.369  -4.137  -9.655
  168    HD2  TYR  23           HD2      TYR  23  -8.490  -1.190 -12.668
  169    HE1  TYR  23           HE1      TYR  23 -11.785  -3.947 -10.167
  170    HE2  TYR  23           HE2      TYR  23 -10.914  -0.993 -13.183
  171    HH   TYR  23           HH       TYR  23 -13.380  -2.928 -11.444
  172    H    ARG  24           H        ARG  24  -7.612  -2.877  -7.209
  173    HA   ARG  24           HA       ARG  24  -9.674  -0.734  -6.974
  174    HB2  ARG  24           HB2      ARG  24 -10.659  -2.808  -7.882
  175    HB3  ARG  24           HB3      ARG  24 -10.056  -3.713  -6.495
  176    HG2  ARG  24           HG2      ARG  24 -11.556  -2.490  -4.997
  177    HG3  ARG  24           HG3      ARG  24 -12.011  -1.367  -6.312
  178    HD2  ARG  24           HD2      ARG  24 -12.978  -3.242  -7.577
  179    HD3  ARG  24           HD3      ARG  24 -12.509  -4.366  -6.288
  180    HE   ARG  24           HE       ARG  24 -14.080  -2.273  -5.156
  181   HH11  ARG  24          HH11      ARG  24 -14.428  -5.069  -7.289
  182   HH12  ARG  24          HH12      ARG  24 -16.095  -5.348  -6.833
  183   HH21  ARG  24          HH21      ARG  24 -16.246  -2.653  -4.589
  184   HH22  ARG  24          HH22      ARG  24 -17.124  -3.980  -5.317
  185    H    THR  25           H        THR  25  -6.932  -1.980  -5.679
  186    HA   THR  25           HA       THR  25  -7.510  -2.264  -2.912
  187    HB   THR  25           HB       THR  25  -5.021  -1.176  -4.287
  188   HG21  THR  25          HG21      THR  25  -3.875  -2.071  -2.252
  189   HG22  THR  25          HG22      THR  25  -5.005  -0.742  -1.901
  190   HG23  THR  25          HG23      THR  25  -5.476  -2.417  -1.547
  191    H    SER  26           H        SER  26  -6.601   0.578  -4.852
  192    HA   SER  26           HA       SER  26  -6.683   2.780  -4.553
  193    HB2  SER  26           HB2      SER  26  -9.029   1.967  -2.813
  194    HB3  SER  26           HB3      SER  26  -8.697   3.645  -3.286
  195    HG   SER  26           HG       SER  26 -10.128   2.580  -4.735
  196    HA   PRO  27           HA       PRO  27  -4.267   4.283  -1.201
  197    HB2  PRO  27           HB2      PRO  27  -5.051   6.925  -1.139
  198    HB3  PRO  27           HB3      PRO  27  -3.932   6.220  -2.345
  199    HG2  PRO  27           HG2      PRO  27  -6.866   6.847  -2.599
  200    HG3  PRO  27           HG3      PRO  27  -5.568   7.051  -3.818
  201    HD2  PRO  27           HD2      PRO  27  -7.345   4.965  -3.818
  202    HD3  PRO  27           HD3      PRO  27  -5.677   4.793  -4.424
  203    H    ASP  28           H        ASP  28  -7.779   4.685  -1.105
  204    HA   ASP  28           HA       ASP  28  -7.972   5.737   1.551
  205    HB2  ASP  28           HB2      ASP  28  -9.828   4.135  -0.234
  206    HB3  ASP  28           HB3      ASP  28 -10.333   4.889   1.303
  207    H    THR  29           H        THR  29  -8.250   2.381   0.235
  208    HA   THR  29           HA       THR  29  -8.817   1.183   2.777
  209    HB   THR  29           HB       THR  29  -7.441  -0.080   0.387
  210   HG21  THR  29          HG21      THR  29  -9.222  -1.230   2.580
  211   HG22  THR  29          HG22      THR  29  -8.596  -2.133   1.184
  212   HG23  THR  29          HG23      THR  29  -7.469  -1.490   2.391
  213    H    LEU  30           H        LEU  30  -5.829   1.713   0.862
  214    HA   LEU  30           HA       LEU  30  -4.051   0.391   2.626
  215    HB2  LEU  30           HB2      LEU  30  -3.659   2.782   0.782
  216    HB3  LEU  30           HB3      LEU  30  -2.342   1.857   1.509
  217    HG   LEU  30           HG       LEU  30  -4.462   0.538  -0.233
  218   HD11  LEU  30          HD11      LEU  30  -1.781   1.743  -1.050
  219   HD12  LEU  30          HD12      LEU  30  -2.843   0.759  -2.094
  220   HD13  LEU  30          HD13      LEU  30  -3.393   2.342  -1.504
  221   HD21  LEU  30          HD21      LEU  30  -1.607  -0.216   0.545
  222   HD22  LEU  30          HD22      LEU  30  -3.096  -0.952   1.186
  223   HD23  LEU  30          HD23      LEU  30  -2.667  -1.152  -0.529
  224    H    ARG  31           H        ARG  31  -5.524   3.655   2.724
  225    HA   ARG  31           HA       ARG  31  -3.627   4.819   4.449
  226    HB2  ARG  31           HB2      ARG  31  -5.768   5.786   3.144
  227    HB3  ARG  31           HB3      ARG  31  -6.578   5.481   4.680
  228    HG2  ARG  31           HG2      ARG  31  -4.241   7.322   4.088
  229    HG3  ARG  31           HG3      ARG  31  -5.850   7.754   4.694
  230    HD2  ARG  31           HD2      ARG  31  -5.290   6.473   6.807
  231    HD3  ARG  31           HD3      ARG  31  -3.647   6.282   6.169
  232    HE   ARG  31           HE       ARG  31  -3.221   8.574   6.494
  233   HH11  ARG  31          HH11      ARG  31  -6.567   7.776   7.316
  234   HH12  ARG  31          HH12      ARG  31  -6.847   9.312   8.109
  235   HH21  ARG  31          HH21      ARG  31  -3.616  10.544   7.561
  236   HH22  ARG  31          HH22      ARG  31  -5.179  10.860   8.268
  237    H    ARG  32           H        ARG  32  -6.787   3.301   5.250
  238    HA   ARG  32           HA       ARG  32  -6.148   3.404   8.106
  239    HB2  ARG  32           HB2      ARG  32  -8.399   2.467   8.380
  240    HB3  ARG  32           HB3      ARG  32  -8.418   3.790   7.196
  241    HG2  ARG  32           HG2      ARG  32  -7.949   1.642   5.548
  242    HG3  ARG  32           HG3      ARG  32  -8.939   0.879   6.808
  243    HD2  ARG  32           HD2      ARG  32 -10.613   2.740   6.507
  244    HD3  ARG  32           HD3      ARG  32  -9.584   3.379   5.206
  245    HE   ARG  32           HE       ARG  32 -10.420   0.575   4.899
  246   HH11  ARG  32          HH11      ARG  32 -11.153   3.953   4.165
  247   HH12  ARG  32          HH12      ARG  32 -12.165   3.553   2.795
  248   HH21  ARG  32          HH21      ARG  32 -11.721   0.087   3.088
  249   HH22  ARG  32          HH22      ARG  32 -12.470   1.377   2.183
  250    H    VAL  33           H        VAL  33  -5.373   1.242   5.630
  251    HA   VAL  33           HA       VAL  33  -5.197  -1.133   7.374
  252    HB   VAL  33           HB       VAL  33  -4.584  -0.459   4.498
  253   HG11  VAL  33          HG11      VAL  33  -3.836  -3.029   5.940
  254   HG12  VAL  33          HG12      VAL  33  -3.896  -2.834   4.170
  255   HG13  VAL  33          HG13      VAL  33  -2.732  -1.892   5.120
  256   HG21  VAL  33          HG21      VAL  33  -6.914  -1.046   5.287
  257   HG22  VAL  33          HG22      VAL  33  -6.261  -2.221   4.122
  258   HG23  VAL  33          HG23      VAL  33  -6.289  -2.598   5.872
  259    H    PHE  34           H        PHE  34  -3.273   1.641   6.643
  260    HA   PHE  34           HA       PHE  34  -0.833   0.219   7.665
  261    HB2  PHE  34           HB2      PHE  34  -1.280   2.213   5.442
  262    HB3  PHE  34           HB3      PHE  34   0.243   2.224   6.304
  263    HD1  PHE  34           HD1      PHE  34   1.634   0.186   6.465
  264    HD2  PHE  34           HD2      PHE  34  -1.680   0.527   3.766
  265    HE1  PHE  34           HE1      PHE  34   2.544  -1.710   5.120
  266    HE2  PHE  34           HE2      PHE  34  -0.780  -1.341   2.407
  267    HZ   PHE  34           HZ       PHE  34   1.329  -2.486   3.115
  268    H    GLU  35           H        GLU  35  -2.689   3.321   7.652
  269    HA   GLU  35           HA       GLU  35  -0.842   4.496   9.420
  270    HB2  GLU  35           HB2      GLU  35  -2.322   6.332   9.563
  271    HB3  GLU  35           HB3      GLU  35  -2.687   5.606   8.001
  272    HG2  GLU  35           HG2      GLU  35  -4.799   6.030   8.848
  273    HG3  GLU  35           HG3      GLU  35  -4.552   4.323   9.248
  274    H    LYS  36           H        LYS  36  -3.162   2.061   9.846
  275    HA   LYS  36           HA       LYS  36  -4.140   2.528  12.441
  276    HB2  LYS  36           HB2      LYS  36  -4.712   0.155  12.419
  277    HB3  LYS  36           HB3      LYS  36  -5.044   0.870  10.828
  278    HG2  LYS  36           HG2      LYS  36  -2.745   0.007  10.098
  279    HG3  LYS  36           HG3      LYS  36  -2.706  -0.898  11.620
  280    HD2  LYS  36           HD2      LYS  36  -4.655  -1.206   9.320
  281    HD3  LYS  36           HD3      LYS  36  -3.482  -2.392   9.923
  282    HE2  LYS  36           HE2      LYS  36  -4.806  -2.341  12.122
  283    HE3  LYS  36           HE3      LYS  36  -6.025  -1.392  11.236
  284    HZ1  LYS  36           HZ1      LYS  36  -6.544  -3.724  11.232
  285    HZ2  LYS  36           HZ2      LYS  36  -6.245  -3.215   9.702
  286    HZ3  LYS  36           HZ3      LYS  36  -5.112  -4.093  10.512
  287    H    TYR  37           H        TYR  37  -1.095   1.102  11.303
  288    HA   TYR  37           HA       TYR  37  -0.384   0.093  13.886
  289    HB2  TYR  37           HB2      TYR  37   1.272   0.713  11.406
  290    HB3  TYR  37           HB3      TYR  37   1.882  -0.160  12.817
  291    HD1  TYR  37           HD1      TYR  37   1.046  -2.396  13.391
  292    HD2  TYR  37           HD2      TYR  37  -0.240  -0.357   9.823
  293    HE1  TYR  37           HE1      TYR  37   0.143  -4.528  12.511
  294    HE2  TYR  37           HE2      TYR  37  -1.118  -2.480   8.920
  295    HH   TYR  37           HH       TYR  37  -0.959  -5.554  10.773
  296    H    GLY  38           H        GLY  38  -0.201   3.213  12.344
  297    HA2  GLY  38           HA2      GLY  38   0.514   4.501  14.799
  298    HA3  GLY  38           HA3      GLY  38   1.927   4.429  13.726
  299    H    ARG  39           H        ARG  39   1.375   5.129  11.344
  300    HA   ARG  39           HA       ARG  39  -0.851   6.870  10.899
  301    HB2  ARG  39           HB2      ARG  39   0.932   8.161  12.459
  302    HB3  ARG  39           HB3      ARG  39   1.770   8.366  10.915
  303    HG2  ARG  39           HG2      ARG  39   0.374  10.305  11.443
  304    HG3  ARG  39           HG3      ARG  39  -0.245   9.508   9.991
  305    HD2  ARG  39           HD2      ARG  39  -2.000   8.421  11.274
  306    HD3  ARG  39           HD3      ARG  39  -1.278   8.974  12.799
  307    HE   ARG  39           HE       ARG  39  -1.730  11.339  11.597
  308   HH11  ARG  39          HH11      ARG  39  -3.880   8.512  11.861
  309   HH12  ARG  39          HH12      ARG  39  -5.318   9.495  11.893
  310   HH21  ARG  39          HH21      ARG  39  -3.637  12.554  11.612
  311   HH22  ARG  39          HH22      ARG  39  -5.191  11.771  11.726
  312    H    VAL  40           H        VAL  40  -0.612   8.063   8.813
  313    HA   VAL  40           HA       VAL  40   1.408   6.836   7.010
  314    HB   VAL  40           HB       VAL  40  -1.589   7.143   6.608
  315   HG11  VAL  40          HG11      VAL  40  -0.544   7.998   4.550
  316   HG12  VAL  40          HG12      VAL  40   0.568   6.599   4.525
  317   HG13  VAL  40          HG13      VAL  40  -1.177   6.354   4.281
  318   HG21  VAL  40          HG21      VAL  40  -0.424   5.000   7.548
  319   HG22  VAL  40          HG22      VAL  40  -1.560   4.815   6.170
  320   HG23  VAL  40          HG23      VAL  40   0.192   4.802   5.904
  321    H    GLY  41           H        GLY  41   2.726   8.541   6.946
  322    HA2  GLY  41           HA2      GLY  41   2.107  11.287   6.855
  323    HA3  GLY  41           HA3      GLY  41   3.574  10.518   6.185
  324    H    ASP  42           H        ASP  42   2.065   8.844   4.268
  325    HA   ASP  42           HA       ASP  42   0.795  10.713   2.394
  326    HB2  ASP  42           HB2      ASP  42   3.595   9.561   2.093
  327    HB3  ASP  42           HB3      ASP  42   2.618   9.923   0.673
  328    H    VAL  43           H        VAL  43  -0.460   9.580   0.905
  329    HA   VAL  43           HA       VAL  43   0.043   6.721   0.486
  330    HB   VAL  43           HB       VAL  43  -1.566   7.312   2.570
  331   HG11  VAL  43          HG11      VAL  43  -3.528   6.991   0.284
  332   HG12  VAL  43          HG12      VAL  43  -3.905   6.984   2.014
  333   HG13  VAL  43          HG13      VAL  43  -3.290   8.470   1.264
  334   HG21  VAL  43          HG21      VAL  43  -1.775   4.990   0.673
  335   HG22  VAL  43          HG22      VAL  43  -0.864   5.136   2.220
  336   HG23  VAL  43          HG23      VAL  43  -2.621   5.072   2.240
  337    H    TYR  44           H        TYR  44   0.070   6.611  -1.685
  338    HA   TYR  44           HA       TYR  44  -2.261   7.627  -3.135
  339    HB2  TYR  44           HB2      TYR  44  -1.275   9.220  -4.452
  340    HB3  TYR  44           HB3      TYR  44  -0.519   9.545  -2.896
  341    HD1  TYR  44           HD1      TYR  44  -0.081   8.316  -6.322
  342    HD2  TYR  44           HD2      TYR  44   1.896   8.999  -2.565
  343    HE1  TYR  44           HE1      TYR  44   2.097   8.121  -7.456
  344    HE2  TYR  44           HE2      TYR  44   4.106   8.856  -3.709
  345    HH   TYR  44           HH       TYR  44   4.395   8.273  -7.228
  346    H    ILE  45           H        ILE  45  -2.098   7.101  -5.509
  347    HA   ILE  45           HA       ILE  45  -0.493   4.624  -5.917
  348    HB   ILE  45           HB       ILE  45  -3.396   5.203  -6.576
  349   HG12  ILE  45          HG12      ILE  45  -3.772   2.973  -5.619
  350   HG13  ILE  45          HG13      ILE  45  -2.043   2.793  -5.286
  351   HG21  ILE  45          HG21      ILE  45  -1.601   2.985  -7.668
  352   HG22  ILE  45          HG22      ILE  45  -3.362   3.103  -7.905
  353   HG23  ILE  45          HG23      ILE  45  -2.289   4.325  -8.613
  354   HD11  ILE  45          HD11      ILE  45  -3.643   5.086  -4.134
  355   HD12  ILE  45          HD12      ILE  45  -3.636   3.472  -3.371
  356   HD13  ILE  45          HD13      ILE  45  -2.117   4.366  -3.530
  357    HA   PRO  46           HA       PRO  46   0.933   7.233  -9.362
  358    HB2  PRO  46           HB2      PRO  46   3.006   5.617 -10.115
  359    HB3  PRO  46           HB3      PRO  46   3.051   6.670  -8.671
  360    HG2  PRO  46           HG2      PRO  46   2.384   3.725  -8.791
  361    HG3  PRO  46           HG3      PRO  46   3.510   4.594  -7.672
  362    HD2  PRO  46           HD2      PRO  46   0.965   3.918  -6.994
  363    HD3  PRO  46           HD3      PRO  46   1.749   5.418  -6.399
  364    H    ARG  47           H        ARG  47  -1.431   5.653  -9.721
  365    HA   ARG  47           HA       ARG  47  -1.234   3.728 -11.791
  366    HB2  ARG  47           HB2      ARG  47  -3.622   4.074 -12.108
  367    HB3  ARG  47           HB3      ARG  47  -3.260   4.092 -10.382
  368    HG2  ARG  47           HG2      ARG  47  -3.274   6.603 -10.481
  369    HG3  ARG  47           HG3      ARG  47  -3.702   6.462 -12.215
  370    HD2  ARG  47           HD2      ARG  47  -5.748   5.207 -11.592
  371    HD3  ARG  47           HD3      ARG  47  -5.320   5.363  -9.883
  372    HE   ARG  47           HE       ARG  47  -6.021   7.575  -9.892
  373   HH11  ARG  47          HH11      ARG  47  -5.857   6.379 -13.220
  374   HH12  ARG  47          HH12      ARG  47  -6.733   7.746 -13.870
  375   HH21  ARG  47          HH21      ARG  47  -7.151   9.339 -10.775
  376   HH22  ARG  47          HH22      ARG  47  -7.449   9.423 -12.492
  377    H    ASP  48           H        ASP  48  -2.275   4.048 -14.015
  378    HA   ASP  48           HA       ASP  48  -0.668   5.960 -15.448
  379    HB2  ASP  48           HB2      ASP  48  -1.496   3.557 -16.086
  380    HB3  ASP  48           HB3      ASP  48  -2.959   4.402 -16.623
  381    H    ARG  49           H        ARG  49  -2.198   6.927 -17.507
  382    HA   ARG  49           HA       ARG  49  -4.429   8.422 -16.306
  383    HB2  ARG  49           HB2      ARG  49  -2.222   9.607 -15.865
  384    HB3  ARG  49           HB3      ARG  49  -2.042   9.802 -17.609
  385    HG2  ARG  49           HG2      ARG  49  -2.935  11.827 -16.481
  386    HG3  ARG  49           HG3      ARG  49  -4.062  11.198 -17.689
  387    HD2  ARG  49           HD2      ARG  49  -5.193  11.865 -15.556
  388    HD3  ARG  49           HD3      ARG  49  -5.428  10.164 -15.955
  389    HE   ARG  49           HE       ARG  49  -4.013   9.531 -14.164
  390   HH11  ARG  49          HH11      ARG  49  -4.246  13.049 -14.434
  391   HH12  ARG  49          HH12      ARG  49  -3.575  13.327 -12.841
  392   HH21  ARG  49          HH21      ARG  49  -3.133   9.928 -12.104
  393   HH22  ARG  49          HH22      ARG  49  -2.958  11.573 -11.535
  394    H    TYR  50           H        TYR  50  -3.268   6.635 -18.855
  395    HA   TYR  50           HA       TYR  50  -5.323   7.757 -20.640
  396    HB2  TYR  50           HB2      TYR  50  -3.720   7.640 -22.557
  397    HB3  TYR  50           HB3      TYR  50  -3.393   8.919 -21.388
  398    HD1  TYR  50           HD1      TYR  50  -2.237   5.656 -22.701
  399    HD2  TYR  50           HD2      TYR  50  -1.385   8.924 -20.039
  400    HE1  TYR  50           HE1      TYR  50   0.094   4.839 -22.454
  401    HE2  TYR  50           HE2      TYR  50   0.939   8.118 -19.777
  402    HH   TYR  50           HH       TYR  50   2.122   5.176 -21.460
  403    H    THR  51           H        THR  51  -4.699   5.193 -18.968
  404    HA   THR  51           HA       THR  51  -5.441   3.327 -21.184
  405    HB   THR  51           HB       THR  51  -4.359   1.553 -19.858
  406   HG21  THR  51          HG21      THR  51  -3.169   2.691 -21.751
  407   HG22  THR  51          HG22      THR  51  -2.519   3.880 -20.600
  408   HG23  THR  51          HG23      THR  51  -2.021   2.173 -20.480
  409    H    LYS  52           H        LYS  52  -6.327   4.801 -18.392
  410    HA   LYS  52           HA       LYS  52  -8.182   4.692 -17.052
  411    HB2  LYS  52           HB2      LYS  52  -9.057   2.592 -19.071
  412    HB3  LYS  52           HB3      LYS  52 -10.068   3.151 -17.738
  413    HG2  LYS  52           HG2      LYS  52 -10.744   4.359 -19.653
  414    HG3  LYS  52           HG3      LYS  52  -9.888   5.496 -18.596
  415    HD2  LYS  52           HD2      LYS  52  -7.922   5.418 -20.044
  416    HD3  LYS  52           HD3      LYS  52  -8.633   4.088 -20.990
  417    HE2  LYS  52           HE2      LYS  52 -10.494   5.575 -21.665
  418    HE3  LYS  52           HE3      LYS  52  -9.764   6.900 -20.735
  419    HZ1  LYS  52           HZ1      LYS  52  -8.514   5.533 -23.026
  420    HZ2  LYS  52           HZ2      LYS  52  -9.202   7.024 -23.054
  421    HZ3  LYS  52           HZ3      LYS  52  -7.846   6.766 -22.163
  422    H    GLU  53           H        GLU  53  -5.762   2.916 -16.662
  423    HA   GLU  53           HA       GLU  53  -6.927   1.356 -14.433
  424    HB2  GLU  53           HB2      GLU  53  -5.692  -0.654 -15.020
  425    HB3  GLU  53           HB3      GLU  53  -6.805  -0.221 -16.327
  426    HG2  GLU  53           HG2      GLU  53  -4.956   0.812 -17.584
  427    HG3  GLU  53           HG3      GLU  53  -3.825   0.405 -16.286
  428    H    SER  54           H        SER  54  -4.628   0.123 -13.531
  429    HA   SER  54           HA       SER  54  -2.878   2.473 -12.933
  430    HB2  SER  54           HB2      SER  54  -4.343   1.812 -11.066
  431    HB3  SER  54           HB3      SER  54  -3.667   0.164 -11.133
  432    HG   SER  54           HG       SER  54  -2.628   1.524  -9.580
  433    H    ARG  55           H        ARG  55  -0.742   1.782 -12.041
  434    HA   ARG  55           HA       ARG  55   0.590   0.087 -14.000
  435    HB2  ARG  55           HB2      ARG  55   1.498   1.629 -11.545
  436    HB3  ARG  55           HB3      ARG  55   2.617   0.839 -12.683
  437    HG2  ARG  55           HG2      ARG  55   0.603   2.996 -13.465
  438    HG3  ARG  55           HG3      ARG  55   2.307   3.305 -13.093
  439    HD2  ARG  55           HD2      ARG  55   3.026   1.860 -14.928
  440    HD3  ARG  55           HD3      ARG  55   1.349   1.402 -15.277
  441    HE   ARG  55           HE       ARG  55   1.010   3.417 -16.372
  442   HH11  ARG  55          HH11      ARG  55   4.062   3.608 -14.581
  443   HH12  ARG  55          HH12      ARG  55   4.529   5.112 -15.339
  444   HH21  ARG  55          HH21      ARG  55   1.649   5.311 -17.338
  445   HH22  ARG  55          HH22      ARG  55   3.154   6.097 -16.898
  446    H    GLY  56           H        GLY  56  -0.878  -0.481 -10.947
  447    HA2  GLY  56           HA2      GLY  56  -1.210  -2.736 -10.240
  448    HA3  GLY  56           HA3      GLY  56   0.347  -3.191 -10.945
  449    H    PHE  57           H        PHE  57   0.567  -0.242  -9.170
  450    HA   PHE  57           HA       PHE  57   1.154  -1.540  -6.586
  451    HB2  PHE  57           HB2      PHE  57   3.407  -0.945  -6.502
  452    HB3  PHE  57           HB3      PHE  57   3.219  -1.739  -8.061
  453    HD1  PHE  57           HD2      PHE  57   2.888  -0.121 -10.144
  454    HD2  PHE  57           HD1      PHE  57   4.437   1.113  -6.324
  455    HE1  PHE  57           HE2      PHE  57   3.888   1.897 -11.191
  456    HE2  PHE  57           HE1      PHE  57   5.422   3.130  -7.377
  457    HZ   PHE  57           HZ       PHE  57   5.104   3.543  -9.810
  458    H    ALA  58           H        ALA  58   1.403  -0.057  -4.880
  459    HA   ALA  58           HA       ALA  58   0.202   2.607  -5.447
  460    HB1  ALA  58           HB1      ALA  58  -1.108   1.225  -3.925
  461    HB2  ALA  58           HB2      ALA  58   0.331   0.913  -2.915
  462    HB3  ALA  58           HB3      ALA  58  -0.379   2.543  -3.017
  463    H    PHE  59           H        PHE  59   0.968   3.752  -3.015
  464    HA   PHE  59           HA       PHE  59   3.827   3.601  -2.553
  465    HB2  PHE  59           HB2      PHE  59   3.168   5.020  -4.794
  466    HB3  PHE  59           HB3      PHE  59   2.881   6.265  -3.595
  467    HD1  PHE  59           HD2      PHE  59   5.190   5.730  -1.670
  468    HD2  PHE  59           HD1      PHE  59   4.997   5.615  -5.971
  469    HE1  PHE  59           HE2      PHE  59   7.595   6.268  -1.801
  470    HE2  PHE  59           HE1      PHE  59   7.399   6.125  -6.103
  471    HZ   PHE  59           HZ       PHE  59   8.715   6.479  -4.004
  472    H    VAL  60           H        VAL  60   2.289   2.933  -0.715
  473    HA   VAL  60           HA       VAL  60   1.517   5.400   0.695
  474    HB   VAL  60           HB       VAL  60   0.864   4.331   2.445
  475   HG11  VAL  60          HG11      VAL  60  -0.428   3.305   0.690
  476   HG12  VAL  60          HG12      VAL  60   0.722   1.987   0.524
  477   HG13  VAL  60          HG13      VAL  60  -0.194   2.174   2.042
  478   HG21  VAL  60          HG21      VAL  60   2.811   3.636   3.426
  479   HG22  VAL  60          HG22      VAL  60   1.710   2.266   3.483
  480   HG23  VAL  60          HG23      VAL  60   3.053   2.302   2.288
  481    H    ARG  61           H        ARG  61   2.796   6.617   2.060
  482    HA   ARG  61           HA       ARG  61   5.553   5.645   2.577
  483    HB2  ARG  61           HB2      ARG  61   6.080   6.925   0.738
  484    HB3  ARG  61           HB3      ARG  61   4.786   8.121   1.032
  485    HG2  ARG  61           HG2      ARG  61   6.017   9.065   2.890
  486    HG3  ARG  61           HG3      ARG  61   7.243   7.761   2.786
  487    HD2  ARG  61           HD2      ARG  61   7.664   8.546   0.399
  488    HD3  ARG  61           HD3      ARG  61   6.698   9.978   0.778
  489    HE   ARG  61           HE       ARG  61   8.659   9.705   2.810
  490   HH11  ARG  61          HH11      ARG  61   8.512  10.355  -0.662
  491   HH12  ARG  61          HH12      ARG  61  10.034  11.218  -0.676
  492   HH21  ARG  61          HH21      ARG  61  10.640  10.800   2.752
  493   HH22  ARG  61          HH22      ARG  61  11.233  11.469   1.245
  494    H    PHE  62           H        PHE  62   6.373   5.957   4.268
  495    HA   PHE  62           HA       PHE  62   4.671   7.265   6.373
  496    HB2  PHE  62           HB2      PHE  62   6.658   5.012   6.456
  497    HB3  PHE  62           HB3      PHE  62   6.217   5.923   7.898
  498    HD1  PHE  62           HD2      PHE  62   3.856   5.058   5.084
  499    HD2  PHE  62           HD1      PHE  62   5.094   4.311   9.145
  500    HE1  PHE  62           HE2      PHE  62   1.802   3.785   5.450
  501    HE2  PHE  62           HE1      PHE  62   3.065   2.943   9.500
  502    HZ   PHE  62           HZ       PHE  62   1.432   2.656   7.702
  503    H    HIS  63           H        HIS  63   5.553   8.585   7.876
  504    HA   HIS  63           HA       HIS  63   7.845  10.211   6.963
  505    HB2  HIS  63           HB2      HIS  63   6.811  11.834   8.601
  506    HB3  HIS  63           HB3      HIS  63   5.729  11.359   7.283
  507    HD2  HIS  63           HD2      HIS  63   3.472  11.812   8.732
  508    HE1  HIS  63           HE1      HIS  63   4.064   8.687  11.557
  509    HE2  HIS  63           HE2      HIS  63   2.413  10.447  10.683
  510    H    ASP  64           H        ASP  64   7.249   7.656   9.064
  511    HA   ASP  64           HA       ASP  64   9.593   8.322  10.731
  512    HB2  ASP  64           HB2      ASP  64   7.520   9.105  11.919
  513    HB3  ASP  64           HB3      ASP  64   6.934   7.436  11.907
  514    H    LYS  65           H        LYS  65  10.900   6.636  10.462
  515    HA   LYS  65           HA       LYS  65  10.214   4.234   9.195
  516    HB2  LYS  65           HB2      LYS  65  12.459   3.568   9.651
  517    HB3  LYS  65           HB3      LYS  65  12.481   5.313   9.420
  518    HG2  LYS  65           HG2      LYS  65  12.216   5.437  12.032
  519    HG3  LYS  65           HG3      LYS  65  12.685   3.724  11.995
  520    HD2  LYS  65           HD2      LYS  65  14.275   6.132  11.037
  521    HD3  LYS  65           HD3      LYS  65  14.677   5.045  12.379
  522    HE2  LYS  65           HE2      LYS  65  14.926   3.176  10.733
  523    HE3  LYS  65           HE3      LYS  65  14.577   4.329   9.425
  524    HZ1  LYS  65           HZ1      LYS  65  16.835   4.540  11.300
  525    HZ2  LYS  65           HZ2      LYS  65  16.934   3.997   9.751
  526    HZ3  LYS  65           HZ3      LYS  65  16.509   5.557  10.045
  527    H    ARG  66           H        ARG  66   9.857   5.072  12.608
  528    HA   ARG  66           HA       ARG  66   9.948   2.345  13.584
  529    HB2  ARG  66           HB2      ARG  66   8.680   4.869  14.742
  530    HB3  ARG  66           HB3      ARG  66   8.902   3.348  15.619
  531    HG2  ARG  66           HG2      ARG  66  11.142   5.033  14.417
  532    HG3  ARG  66           HG3      ARG  66  10.676   5.036  16.124
  533    HD2  ARG  66           HD2      ARG  66  11.693   2.607  14.585
  534    HD3  ARG  66           HD3      ARG  66  12.650   3.606  15.686
  535    HE   ARG  66           HE       ARG  66  10.847   2.971  17.425
  536   HH11  ARG  66          HH11      ARG  66  11.955   0.797  14.837
  537   HH12  ARG  66          HH12      ARG  66  11.638  -0.639  15.780
  538   HH21  ARG  66          HH21      ARG  66  10.437   1.069  18.587
  539   HH22  ARG  66          HH22      ARG  66  10.783  -0.495  17.879
  540    H    ASP  67           H        ASP  67   7.273   4.600  12.755
  541    HA   ASP  67           HA       ASP  67   5.196   2.684  13.287
  542    HB2  ASP  67           HB2      ASP  67   5.229   5.121  11.450
  543    HB3  ASP  67           HB3      ASP  67   3.788   4.221  11.934
  544    H    ALA  68           H        ALA  68   7.359   3.310  10.576
  545    HA   ALA  68           HA       ALA  68   5.835   1.799   8.630
  546    HB1  ALA  68           HB1      ALA  68   8.710   2.802   8.755
  547    HB2  ALA  68           HB2      ALA  68   7.963   2.079   7.328
  548    HB3  ALA  68           HB3      ALA  68   7.333   3.623   7.977
  549    H    GLU  69           H        GLU  69   8.502   1.110  10.948
  550    HA   GLU  69           HA       GLU  69   9.301  -1.391   9.876
  551    HB2  GLU  69           HB2      GLU  69   9.409  -0.027  12.564
  552    HB3  GLU  69           HB3      GLU  69   9.734  -1.761  12.482
  553    HG2  GLU  69           HG2      GLU  69  11.473  -1.351  10.758
  554    HG3  GLU  69           HG3      GLU  69  11.156   0.378  10.825
  555    H    ASP  70           H        ASP  70   6.829  -0.619  12.424
  556    HA   ASP  70           HA       ASP  70   6.273  -3.424  12.810
  557    HB2  ASP  70           HB2      ASP  70   4.540  -1.031  13.518
  558    HB3  ASP  70           HB3      ASP  70   4.439  -2.670  14.182
  559    H    ALA  71           H        ALA  71   4.651  -0.806  10.947
  560    HA   ALA  71           HA       ALA  71   2.411  -2.338  10.124
  561    HB1  ALA  71           HB1      ALA  71   2.160  -0.644   8.384
  562    HB2  ALA  71           HB2      ALA  71   2.638   0.144   9.896
  563    HB3  ALA  71           HB3      ALA  71   3.844  -0.109   8.615
  564    H    MET  72           H        MET  72   5.651  -1.893   8.608
  565    HA   MET  72           HA       MET  72   5.118  -3.492   6.301
  566    HB2  MET  72           HB2      MET  72   6.942  -1.918   6.355
  567    HB3  MET  72           HB3      MET  72   7.616  -2.654   7.818
  568    HG2  MET  72           HG2      MET  72   8.375  -4.554   6.694
  569    HG3  MET  72           HG3      MET  72   7.369  -4.255   5.271
  570    HE1  MET  72           HE1      MET  72  10.099  -2.495   7.495
  571    HE2  MET  72           HE2      MET  72  10.820  -1.345   6.342
  572    HE3  MET  72           HE3      MET  72   9.138  -1.139   6.849
  573    H    ASP  73           H        ASP  73   6.537  -4.272   9.521
  574    HA   ASP  73           HA       ASP  73   7.033  -7.009   8.884
  575    HB2  ASP  73           HB2      ASP  73   8.144  -5.762  10.720
  576    HB3  ASP  73           HB3      ASP  73   6.595  -5.650  11.577
  577    H    ALA  74           H        ALA  74   4.116  -5.350   9.200
  578    HA   ALA  74           HA       ALA  74   2.677  -7.871   9.863
  579    HB1  ALA  74           HB1      ALA  74   1.969  -5.012  10.634
  580    HB2  ALA  74           HB2      ALA  74   1.000  -6.465  11.000
  581    HB3  ALA  74           HB3      ALA  74   2.609  -6.260  11.725
  582    H    MET  75           H        MET  75   3.407  -5.987   7.292
  583    HA   MET  75           HA       MET  75   0.732  -6.468   6.065
  584    HB2  MET  75           HB2      MET  75   2.343  -3.903   6.036
  585    HB3  MET  75           HB3      MET  75   1.172  -4.273   4.782
  586    HG2  MET  75           HG2      MET  75   0.557  -4.141   7.762
  587    HG3  MET  75           HG3      MET  75   0.195  -2.898   6.565
  588    HE1  MET  75           HE1      MET  75  -1.166  -3.545   4.302
  589    HE2  MET  75           HE2      MET  75  -0.541  -5.198   4.136
  590    HE3  MET  75           HE3      MET  75  -2.293  -4.921   4.193
  591    H    ASP  76           H        ASP  76   4.259  -6.571   5.714
  592    HA   ASP  76           HA       ASP  76   4.245  -6.669   2.850
  593    HB2  ASP  76           HB2      ASP  76   6.250  -6.222   4.263
  594    HB3  ASP  76           HB3      ASP  76   6.209  -7.901   4.815
  595    H    GLY  77           H        GLY  77   3.224  -8.139   1.646
  596    HA2  GLY  77           HA2      GLY  77   2.537 -10.143   0.829
  597    HA3  GLY  77           HA3      GLY  77   3.624 -10.970   1.977
  598    H    ALA  78           H        ALA  78   1.127  -8.666   2.944
  599    HA   ALA  78           HA       ALA  78  -0.061 -10.735   4.660
  600    HB1  ALA  78           HB1      ALA  78  -0.573  -7.742   4.425
  601    HB2  ALA  78           HB2      ALA  78  -1.246  -8.818   5.670
  602    HB3  ALA  78           HB3      ALA  78   0.506  -8.548   5.599
  603    H    VAL  79           H        VAL  79  -0.537  -9.918   1.529
  604    HA   VAL  79           HA       VAL  79  -2.354  -9.727   0.110
  605    HB   VAL  79           HB       VAL  79  -1.718 -11.991  -0.020
  606   HG11  VAL  79          HG11      VAL  79  -3.410 -12.537   2.445
  607   HG12  VAL  79          HG12      VAL  79  -2.620 -13.769   1.423
  608   HG13  VAL  79          HG13      VAL  79  -1.632 -12.599   2.314
  609   HG21  VAL  79          HG21      VAL  79  -3.665 -11.363  -1.166
  610   HG22  VAL  79          HG22      VAL  79  -3.632 -13.092  -0.736
  611   HG23  VAL  79          HG23      VAL  79  -4.700 -11.990   0.160
  612    H    LEU  80           H        LEU  80  -3.198  -7.840   1.429
  613    HA   LEU  80           HA       LEU  80  -5.612  -8.311   2.929
  614    HB2  LEU  80           HB2      LEU  80  -5.671  -6.043   3.256
  615    HB3  LEU  80           HB3      LEU  80  -3.947  -6.302   2.984
  616    HG   LEU  80           HG       LEU  80  -6.012  -5.149   1.068
  617   HD11  LEU  80          HD11      LEU  80  -5.168  -3.623   2.721
  618   HD12  LEU  80          HD12      LEU  80  -3.478  -4.031   2.289
  619   HD13  LEU  80          HD13      LEU  80  -4.535  -3.190   1.121
  620   HD21  LEU  80          HD21      LEU  80  -4.537  -6.519  -0.327
  621   HD22  LEU  80          HD22      LEU  80  -4.103  -4.820  -0.521
  622   HD23  LEU  80          HD23      LEU  80  -3.099  -5.872   0.512
  623    H    ASP  81           H        ASP  81  -5.060  -8.902  -0.259
  624    HA   ASP  81           HA       ASP  81  -7.806  -8.136  -1.028
  625    HB2  ASP  81           HB2      ASP  81  -6.958  -7.344  -3.210
  626    HB3  ASP  81           HB3      ASP  81  -6.429  -6.360  -1.841
  627    H    GLY  82           H        GLY  82  -4.858  -9.970  -2.030
  628    HA2  GLY  82           HA2      GLY  82  -5.434 -12.454  -1.898
  629    HA3  GLY  82           HA3      GLY  82  -6.617 -12.104  -3.191
  630    H    ARG  83           H        ARG  83  -3.561 -10.379  -3.139
  631    HA   ARG  83           HA       ARG  83  -2.378 -12.272  -5.115
  632    HB2  ARG  83           HB2      ARG  83  -1.623 -10.170  -6.344
  633    HB3  ARG  83           HB3      ARG  83  -3.340 -10.593  -6.497
  634    HG2  ARG  83           HG2      ARG  83  -4.059  -8.883  -5.091
  635    HG3  ARG  83           HG3      ARG  83  -2.496  -8.747  -4.262
  636    HD2  ARG  83           HD2      ARG  83  -2.902  -6.856  -5.810
  637    HD3  ARG  83           HD3      ARG  83  -1.473  -7.816  -6.235
  638    HE   ARG  83           HE       ARG  83  -4.113  -8.243  -7.590
  639   HH11  ARG  83          HH11      ARG  83  -0.628  -7.561  -7.828
  640   HH12  ARG  83          HH12      ARG  83  -0.605  -7.788  -9.557
  641   HH21  ARG  83          HH21      ARG  83  -4.023  -8.517  -9.835
  642   HH22  ARG  83          HH22      ARG  83  -2.511  -8.322 -10.687
  643    H    GLU  84           H        GLU  84  -1.988 -10.142  -2.426
  644    HA   GLU  84           HA       GLU  84  -0.479 -10.621  -0.762
  645    HB2  GLU  84           HB2      GLU  84   0.562 -12.424  -2.608
  646    HB3  GLU  84           HB3      GLU  84   1.919 -11.330  -2.260
  647    HG2  GLU  84           HG2      GLU  84   1.268 -11.677   0.228
  648    HG3  GLU  84           HG3      GLU  84   0.209 -12.964  -0.352
  649    H    LEU  85           H        LEU  85  -0.653  -8.512  -0.348
  650    HA   LEU  85           HA       LEU  85   0.398  -6.288  -1.558
  651    HB2  LEU  85           HB2      LEU  85  -1.065  -6.850   0.576
  652    HB3  LEU  85           HB3      LEU  85   0.444  -6.668   1.448
  653    HG   LEU  85           HG       LEU  85  -1.105  -4.700   1.405
  654   HD11  LEU  85          HD11      LEU  85   0.534  -3.019   1.219
  655   HD12  LEU  85          HD12      LEU  85   1.353  -4.474   1.841
  656   HD13  LEU  85          HD13      LEU  85   1.545  -3.976   0.131
  657   HD21  LEU  85          HD21      LEU  85  -0.190  -4.337  -1.473
  658   HD22  LEU  85          HD22      LEU  85  -1.797  -4.923  -1.008
  659   HD23  LEU  85          HD23      LEU  85  -1.283  -3.284  -0.548
  660    H    ARG  86           H        ARG  86   2.284  -4.940  -1.089
  661    HA   ARG  86           HA       ARG  86   4.683  -6.451  -0.168
  662    HB2  ARG  86           HB2      ARG  86   4.323  -4.738  -2.651
  663    HB3  ARG  86           HB3      ARG  86   5.905  -5.259  -2.036
  664    HG2  ARG  86           HG2      ARG  86   3.652  -7.106  -2.931
  665    HG3  ARG  86           HG3      ARG  86   5.100  -6.698  -3.869
  666    HD2  ARG  86           HD2      ARG  86   6.519  -7.624  -2.042
  667    HD3  ARG  86           HD3      ARG  86   5.057  -8.079  -1.153
  668    HE   ARG  86           HE       ARG  86   5.802  -9.205  -3.828
  669   HH11  ARG  86          HH11      ARG  86   4.303  -9.544  -0.643
  670   HH12  ARG  86          HH12      ARG  86   4.018 -11.260  -0.853
  671   HH21  ARG  86          HH21      ARG  86   5.346 -11.439  -4.067
  672   HH22  ARG  86          HH22      ARG  86   4.558 -12.298  -2.762
  673    H    VAL  87           H        VAL  87   6.000  -5.335   1.180
  674    HA   VAL  87           HA       VAL  87   5.641  -2.397   1.324
  675    HB   VAL  87           HB       VAL  87   5.757  -4.213   3.766
  676   HG11  VAL  87          HG11      VAL  87   5.295  -1.246   3.308
  677   HG12  VAL  87          HG12      VAL  87   4.950  -2.058   4.852
  678   HG13  VAL  87          HG13      VAL  87   6.608  -2.037   4.204
  679   HG21  VAL  87          HG21      VAL  87   3.657  -4.699   2.714
  680   HG22  VAL  87          HG22      VAL  87   3.374  -3.634   4.104
  681   HG23  VAL  87          HG23      VAL  87   3.309  -2.985   2.448
  682    H    GLN  88           H        GLN  88   7.445  -1.265   1.770
  683    HA   GLN  88           HA       GLN  88   9.953  -2.384   2.673
  684    HB2  GLN  88           HB2      GLN  88  11.082  -2.061   0.421
  685    HB3  GLN  88           HB3      GLN  88  10.004  -3.462   0.512
  686    HG2  GLN  88           HG2      GLN  88   8.207  -2.203  -0.607
  687    HG3  GLN  88           HG3      GLN  88   9.225  -0.761  -0.654
  688   HE21  GLN  88          HE22      GLN  88   8.072  -1.823  -2.968
  689   HE22  GLN  88          HE21      GLN  88   9.329  -2.511  -3.978
  690    H    MET  89           H        MET  89  11.495  -0.771   3.018
  691    HA   MET  89           HA       MET  89  10.686   1.888   3.361
  692    HB2  MET  89           HB2      MET  89  13.397   0.592   2.975
  693    HB3  MET  89           HB3      MET  89  13.200   2.314   3.390
  694    HG2  MET  89           HG2      MET  89  11.789   0.128   4.949
  695    HG3  MET  89           HG3      MET  89  13.439   0.588   5.337
  696    HE1  MET  89           HE1      MET  89  10.789   2.055   8.033
  697    HE2  MET  89           HE2      MET  89  10.350   0.763   6.895
  698    HE3  MET  89           HE3      MET  89  11.930   0.718   7.708
  699    H    ALA  90           H        ALA  90  10.712   3.705   2.133
  700    HA   ALA  90           HA       ALA  90  10.740   3.390  -0.759
  701    HB1  ALA  90           HB1      ALA  90  10.191   5.824  -0.716
  702    HB2  ALA  90           HB2      ALA  90   9.122   4.878   0.334
  703    HB3  ALA  90           HB3      ALA  90  10.442   5.823   1.052
  704    H    ARG  91           H        ARG  91  13.155   4.142   1.628
  705    HA   ARG  91           HA       ARG  91  15.263   4.934   1.507
  706    HB2  ARG  91           HB2      ARG  91  15.376   2.849   0.210
  707    HB3  ARG  91           HB3      ARG  91  15.045   3.737  -1.278
  708    HG2  ARG  91           HG2      ARG  91  17.349   4.893   0.120
  709    HG3  ARG  91           HG3      ARG  91  17.560   3.151  -0.126
  710    HD2  ARG  91           HD2      ARG  91  17.062   3.365  -2.507
  711    HD3  ARG  91           HD3      ARG  91  16.708   5.083  -2.321
  712    HE   ARG  91           HE       ARG  91  19.342   3.795  -2.419
  713   HH11  ARG  91          HH11      ARG  91  17.556   6.702  -1.482
  714   HH12  ARG  91          HH12      ARG  91  18.957   7.739  -1.591
  715   HH21  ARG  91          HH21      ARG  91  21.156   5.170  -2.529
  716   HH22  ARG  91          HH22      ARG  91  20.989   6.875  -2.172
  717    H    TYR  92           H        TYR  92  13.136   6.847   0.746
  718    HA   TYR  92           HA       TYR  92  14.727   8.685  -0.971
  719    HB2  TYR  92           HB2      TYR  92  11.718   8.325  -0.844
  720    HB3  TYR  92           HB3      TYR  92  12.558   9.581  -1.767
  721    HD1  TYR  92           HD2      TYR  92  14.860   7.905  -2.853
  722    HD2  TYR  92           HD1      TYR  92  10.619   7.180  -2.606
  723    HE1  TYR  92           HE2      TYR  92  15.001   6.402  -4.815
  724    HE2  TYR  92           HE1      TYR  92  10.766   5.656  -4.551
  725    HH   TYR  92           HH       TYR  92  12.132   4.713  -6.139
  726    H    GLY  93           H        GLY  93  14.666   8.328   1.985
  727    HA2  GLY  93           HA2      GLY  93  14.306  11.172   2.637
  728    HA3  GLY  93           HA3      GLY  93  13.313  10.028   3.556
  729    H    ARG  94           H        ARG  94  14.800  11.276   5.223
  730    HA   ARG  94           HA       ARG  94  17.145   9.563   5.803
  731    HB2  ARG  94           HB2      ARG  94  17.746  11.637   4.381
  732    HB3  ARG  94           HB3      ARG  94  17.269  12.606   5.782
  733    HG2  ARG  94           HG2      ARG  94  19.627  12.390   5.922
  734    HG3  ARG  94           HG3      ARG  94  18.991  11.267   7.129
  735    HD2  ARG  94           HD2      ARG  94  20.743  10.132   5.903
  736    HD3  ARG  94           HD3      ARG  94  19.206   9.421   5.391
  737    HE   ARG  94           HE       ARG  94  20.099  11.647   3.719
  738   HH11  ARG  94          HH11      ARG  94  20.246   8.146   4.217
  739   HH12  ARG  94          HH12      ARG  94  20.712   7.823   2.563
  740   HH21  ARG  94          HH21      ARG  94  20.691  11.186   1.570
  741   HH22  ARG  94          HH22      ARG  94  20.944   9.532   1.067
  742    HA   PRO  95           HA       PRO  95  15.414  10.232   9.891
  743    HB2  PRO  95           HB2      PRO  95  17.479   9.289  11.435
  744    HB3  PRO  95           HB3      PRO  95  16.418   8.216  10.473
  745    HG2  PRO  95           HG2      PRO  95  19.142   9.309   9.710
  746    HG3  PRO  95           HG3      PRO  95  18.566   7.609   9.628
  747    HD2  PRO  95           HD2      PRO  95  18.543   9.229   7.448
  748    HD3  PRO  95           HD3      PRO  95  17.207   8.077   7.749
  749    HA   PRO  96           HA       PRO  96  17.139  14.077  11.239
  750    HB2  PRO  96           HB2      PRO  96  16.476  14.170  13.877
  751    HB3  PRO  96           HB3      PRO  96  15.232  14.167  12.577
  752    HG2  PRO  96           HG2      PRO  96  16.254  11.799  14.176
  753    HG3  PRO  96           HG3      PRO  96  14.547  12.286  13.909
  754    HD2  PRO  96           HD2      PRO  96  15.770  10.394  12.375
  755    HD3  PRO  96           HD3      PRO  96  14.607  11.558  11.660
  756    H    ASP  97           H        ASP  97  18.562  15.065  13.035
  757    HA   ASP  97           HA       ASP  97  20.568  13.209  14.167
  758    HB2  ASP  97           HB2      ASP  97  21.217  15.474  12.243
  759    HB3  ASP  97           HB3      ASP  97  22.405  14.610  13.225
  760    H    SER  98           H        SER  98  22.309  14.710  15.305
  761    HA   SER  98           HA       SER  98  21.053  17.064  16.593
  762    HB2  SER  98           HB2      SER  98  22.095  14.601  18.044
  763    HB3  SER  98           HB3      SER  98  21.652  16.142  18.826
  764    HG   SER  98           HG       SER  98  19.940  14.621  18.867
  765    H    HIS  99           H        HIS  99  22.696  18.108  18.108
  766    HA   HIS  99           HA       HIS  99  25.506  17.678  17.252
  767    HB2  HIS  99           HB2      HIS  99  24.031  20.326  17.095
  768    HB3  HIS  99           HB3      HIS  99  25.754  20.077  16.778
  769    HD2  HIS  99           HD2      HIS  99  26.371  18.542  14.536
  770    HE1  HIS  99           HE1      HIS  99  22.629  19.163  12.614
  771    HE2  HIS  99           HE2      HIS  99  25.025  18.351  12.304
  772    H    HIS 100           H        HIS 100  23.462  17.759  19.761
  773    HA   HIS 100           HA       HIS 100  25.506  18.849  21.605
  774    HB2  HIS 100           HB2      HIS 100  22.578  19.659  21.611
  775    HB3  HIS 100           HB3      HIS 100  23.766  20.109  22.838
  776    HD2  HIS 100           HD2      HIS 100  25.841  21.744  21.977
  777    HE1  HIS 100           HE1      HIS 100  23.693  23.317  18.658
  778    HE2  HIS 100           HE2      HIS 100  25.744  23.623  20.153
  779    H    SER 101           H        SER 101  23.860  16.238  20.690
  780    HA   SER 101           HA       SER 101  23.919  15.036  23.357
  781    HB2  SER 101           HB2      SER 101  21.587  14.219  23.213
  782    HB3  SER 101           HB3      SER 101  21.661  15.989  23.325
  783    HG   SER 101           HG       SER 101  20.223  15.258  21.686
  Start of MODEL    9
    1    H    MET   1           H1       MET   1  -3.889 -10.495   9.887
    2    HA   MET   1           HA       MET   1  -4.362 -12.241   8.352
    3    HB2  MET   1           HB2      MET   1  -4.092 -10.870   6.300
    4    HB3  MET   1           HB3      MET   1  -2.340 -10.837   6.561
    5    HG2  MET   1           HG2      MET   1  -2.936 -12.572   4.935
    6    HG3  MET   1           HG3      MET   1  -2.254 -13.294   6.384
    7    HE1  MET   1           HE1      MET   1  -6.729 -13.411   5.194
    8    HE2  MET   1           HE2      MET   1  -5.948 -11.919   5.748
    9    HE3  MET   1           HE3      MET   1  -5.435 -12.690   4.223
   10    H    SER   2           H        SER   2  -0.945 -11.240   7.853
   11    HA   SER   2           HA       SER   2  -0.035 -12.959  10.072
   12    HB2  SER   2           HB2      SER   2   0.725 -13.449   7.165
   13    HB3  SER   2           HB3      SER   2   1.440 -14.253   8.567
   14    HG   SER   2           HG       SER   2  -0.655 -15.094   9.031
   15    H    TYR   3           H        TYR   3   2.445 -12.895  10.133
   16    HA   TYR   3           HA       TYR   3   3.365 -10.177  10.002
   17    HB2  TYR   3           HB2      TYR   3   5.448 -11.073  10.787
   18    HB3  TYR   3           HB3      TYR   3   4.138 -11.875  11.639
   19    HD1  TYR   3           HD1      TYR   3   3.551 -14.247  11.087
   20    HD2  TYR   3           HD2      TYR   3   6.956 -12.264   9.368
   21    HE1  TYR   3           HE1      TYR   3   4.497 -16.447  10.433
   22    HE2  TYR   3           HE2      TYR   3   7.915 -14.452   8.709
   23    HH   TYR   3           HH       TYR   3   6.244 -17.543   9.424
   24    H    GLY   4           H        GLY   4   5.697  -9.895   8.947
   25    HA2  GLY   4           HA2      GLY   4   5.817 -11.045   6.223
   26    HA3  GLY   4           HA3      GLY   4   5.636  -9.288   6.375
   27    H    ARG   5           H        ARG   5   7.823  -9.833   5.078
   28    HA   ARG   5           HA       ARG   5  10.124 -10.653   6.507
   29    HB2  ARG   5           HB2      ARG   5   9.815  -8.778   4.127
   30    HB3  ARG   5           HB3      ARG   5  11.357  -9.429   4.716
   31    HG2  ARG   5           HG2      ARG   5  10.496 -11.745   4.387
   32    HG3  ARG   5           HG3      ARG   5   8.995 -11.072   3.713
   33    HD2  ARG   5           HD2      ARG   5  10.315  -9.917   1.964
   34    HD3  ARG   5           HD3      ARG   5  11.808 -10.599   2.653
   35    HE   ARG   5           HE       ARG   5  10.012 -12.731   2.076
   36   HH11  ARG   5          HH11      ARG   5  11.975 -10.335   0.379
   37   HH12  ARG   5          HH12      ARG   5  12.217 -11.357  -1.025
   38   HH21  ARG   5          HH21      ARG   5  10.347 -14.040   0.242
   39   HH22  ARG   5          HH22      ARG   5  11.286 -13.437  -1.106
   40    HA   PRO   6           HA       PRO   6  10.954  -7.217   9.119
   41    HB2  PRO   6           HB2      PRO   6  13.624  -7.504   9.575
   42    HB3  PRO   6           HB3      PRO   6  12.409  -8.683  10.170
   43    HG2  PRO   6           HG2      PRO   6  14.096  -8.863   7.650
   44    HG3  PRO   6           HG3      PRO   6  13.865 -10.111   8.918
   45    HD2  PRO   6           HD2      PRO   6  12.410 -10.091   6.611
   46    HD3  PRO   6           HD3      PRO   6  11.676 -10.593   8.163
   47    HA   PRO   7           HA       PRO   7  12.406  -3.678   6.877
   48    HB2  PRO   7           HB2      PRO   7  14.175  -3.108   9.244
   49    HB3  PRO   7           HB3      PRO   7  13.013  -2.014   8.426
   50    HG2  PRO   7           HG2      PRO   7  12.393  -3.163  10.810
   51    HG3  PRO   7           HG3      PRO   7  11.168  -3.052   9.500
   52    HD2  PRO   7           HD2      PRO   7  12.856  -5.424  10.298
   53    HD3  PRO   7           HD3      PRO   7  11.114  -5.355   9.865
   54    HA   PRO   8           HA       PRO   8  16.591  -4.578   5.452
   55    HB2  PRO   8           HB2      PRO   8  17.162  -2.413   3.942
   56    HB3  PRO   8           HB3      PRO   8  15.749  -3.435   3.555
   57    HG2  PRO   8           HG2      PRO   8  15.786  -0.849   5.136
   58    HG3  PRO   8           HG3      PRO   8  14.727  -1.291   3.759
   59    HD2  PRO   8           HD2      PRO   8  14.074  -1.588   6.441
   60    HD3  PRO   8           HD3      PRO   8  13.371  -2.606   5.129
   61    H    ASP   9           H        ASP   9  18.372  -2.111   5.149
   62    HA   ASP   9           HA       ASP   9  19.549  -2.402   7.815
   63    HB2  ASP   9           HB2      ASP   9  20.448  -0.815   5.382
   64    HB3  ASP   9           HB3      ASP   9  21.420  -1.126   6.834
   65    H    VAL  10           H        VAL  10  17.814   0.070   6.003
   66    HA   VAL  10           HA       VAL  10  17.379   2.260   6.338
   67    HB   VAL  10           HB       VAL  10  16.019   2.694   8.272
   68   HG11  VAL  10          HG11      VAL  10  15.612  -0.138   7.274
   69   HG12  VAL  10          HG12      VAL  10  14.373   0.948   7.935
   70   HG13  VAL  10          HG13      VAL  10  15.158   1.353   6.392
   71   HG21  VAL  10          HG21      VAL  10  15.704   1.074  10.072
   72   HG22  VAL  10          HG22      VAL  10  16.893  -0.020   9.348
   73   HG23  VAL  10          HG23      VAL  10  17.423   1.544  10.004
   74    H    GLU  11           H        GLU  11  20.223   1.672   6.964
   75    HA   GLU  11           HA       GLU  11  21.013   3.198   9.248
   76    HB2  GLU  11           HB2      GLU  11  22.432   2.282   6.722
   77    HB3  GLU  11           HB3      GLU  11  23.272   3.158   8.014
   78    HG2  GLU  11           HG2      GLU  11  21.772   0.549   8.408
   79    HG3  GLU  11           HG3      GLU  11  23.513   0.682   8.192
   80    H    GLY  12           H        GLY  12  19.528   4.388   6.483
   81    HA2  GLY  12           HA2      GLY  12  20.412   7.092   7.046
   82    HA3  GLY  12           HA3      GLY  12  21.053   6.463   5.515
   83    H    MET  13           H        MET  13  17.895   5.331   6.593
   84    HA   MET  13           HA       MET  13  16.508   7.275   4.839
   85    HB2  MET  13           HB2      MET  13  16.127   4.265   4.602
   86    HB3  MET  13           HB3      MET  13  15.362   5.530   3.632
   87    HG2  MET  13           HG2      MET  13  17.038   4.767   2.206
   88    HG3  MET  13           HG3      MET  13  17.777   6.185   2.940
   89    HE1  MET  13           HE1      MET  13  17.682   2.324   2.554
   90    HE2  MET  13           HE2      MET  13  18.764   1.745   3.844
   91    HE3  MET  13           HE3      MET  13  17.206   2.480   4.264
   92    H    THR  14           H        THR  14  14.079   7.027   5.071
   93    HA   THR  14           HA       THR  14  13.274   5.879   7.680
   94    HB   THR  14           HB       THR  14  12.915   8.809   6.930
   95   HG21  THR  14          HG21      THR  14  12.035   9.061   9.218
   96   HG22  THR  14          HG22      THR  14  11.042   7.918   8.293
   97   HG23  THR  14          HG23      THR  14  12.219   7.316   9.493
   98    H    SER  15           H        SER  15  12.401   7.313   4.541
   99    HA   SER  15           HA       SER  15   9.540   7.131   4.856
  100    HB2  SER  15           HB2      SER  15  11.299   7.127   2.377
  101    HB3  SER  15           HB3      SER  15   9.543   7.406   2.414
  102    HG   SER  15           HG       SER  15  10.740   9.363   2.422
  103    H    LEU  16           H        LEU  16   8.112   5.638   4.442
  104    HA   LEU  16           HA       LEU  16   9.059   2.905   3.666
  105    HB2  LEU  16           HB2      LEU  16   7.606   3.240   5.701
  106    HB3  LEU  16           HB3      LEU  16   6.325   3.845   4.632
  107    HG   LEU  16           HG       LEU  16   6.313   1.646   3.443
  108   HD11  LEU  16          HD11      LEU  16   7.440  -0.276   4.502
  109   HD12  LEU  16          HD12      LEU  16   8.633   0.929   3.982
  110   HD13  LEU  16          HD13      LEU  16   8.191   0.799   5.700
  111   HD21  LEU  16          HD21      LEU  16   5.206   0.394   5.246
  112   HD22  LEU  16          HD22      LEU  16   5.864   1.534   6.447
  113   HD23  LEU  16          HD23      LEU  16   4.706   2.095   5.225
  114    H    LYS  17           H        LYS  17   7.834   1.769   2.025
  115    HA   LYS  17           HA       LYS  17   6.165   3.303   0.114
  116    HB2  LYS  17           HB2      LYS  17   8.158   3.549  -1.008
  117    HB3  LYS  17           HB3      LYS  17   8.825   2.030  -0.380
  118    HG2  LYS  17           HG2      LYS  17   8.475   1.809  -2.715
  119    HG3  LYS  17           HG3      LYS  17   7.325   0.753  -1.876
  120    HD2  LYS  17           HD2      LYS  17   5.579   2.554  -2.188
  121    HD3  LYS  17           HD3      LYS  17   6.767   3.467  -3.146
  122    HE2  LYS  17           HE2      LYS  17   5.741   0.675  -3.777
  123    HE3  LYS  17           HE3      LYS  17   5.236   2.165  -4.576
  124    HZ1  LYS  17           HZ1      LYS  17   7.986   1.085  -4.591
  125    HZ2  LYS  17           HZ2      LYS  17   6.931   1.032  -5.845
  126    HZ3  LYS  17           HZ3      LYS  17   7.506   2.478  -5.310
  127    H    VAL  18           H        VAL  18   4.456   2.104  -0.473
  128    HA   VAL  18           HA       VAL  18   4.578  -0.883  -0.103
  129    HB   VAL  18           HB       VAL  18   2.432   1.118   0.523
  130   HG11  VAL  18          HG11      VAL  18   2.060  -1.897   0.201
  131   HG12  VAL  18          HG12      VAL  18   0.850  -0.778   0.868
  132   HG13  VAL  18          HG13      VAL  18   1.331  -0.652  -0.829
  133   HG21  VAL  18          HG21      VAL  18   4.111   0.474   2.261
  134   HG22  VAL  18          HG22      VAL  18   2.448   0.024   2.697
  135   HG23  VAL  18          HG23      VAL  18   3.593  -1.210   2.083
  136    H    ASP  19           H        ASP  19   3.613  -2.109  -1.608
  137    HA   ASP  19           HA       ASP  19   2.746  -0.978  -4.198
  138    HB2  ASP  19           HB2      ASP  19   4.911  -0.956  -4.820
  139    HB3  ASP  19           HB3      ASP  19   5.429  -1.960  -3.474
  140    H    ASN  20           H        ASN  20   2.185  -2.697  -5.698
  141    HA   ASN  20           HA       ASN  20   1.278  -4.652  -6.388
  142    HB2  ASN  20           HB2      ASN  20   2.667  -5.823  -4.577
  143    HB3  ASN  20           HB3      ASN  20   1.165  -5.815  -3.632
  144   HD21  ASN  20          HD22      ASN  20   1.055  -8.185  -3.797
  145   HD22  ASN  20          HD21      ASN  20   0.556  -8.940  -5.290
  146    H    LEU  21           H        LEU  21  -0.685  -4.087  -7.068
  147    HA   LEU  21           HA       LEU  21  -2.906  -3.877  -5.082
  148    HB2  LEU  21           HB2      LEU  21  -2.615  -2.142  -7.559
  149    HB3  LEU  21           HB3      LEU  21  -3.817  -1.988  -6.276
  150    HG   LEU  21           HG       LEU  21  -0.833  -1.468  -6.002
  151   HD11  LEU  21          HD11      LEU  21  -2.072   0.129  -7.442
  152   HD12  LEU  21          HD12      LEU  21  -3.254   0.385  -6.138
  153   HD13  LEU  21          HD13      LEU  21  -1.568   0.897  -5.918
  154   HD21  LEU  21          HD21      LEU  21  -2.966  -0.646  -4.022
  155   HD22  LEU  21          HD22      LEU  21  -2.181  -2.240  -3.898
  156   HD23  LEU  21          HD23      LEU  21  -1.199  -0.778  -3.809
  157    H    THR  22           H        THR  22  -5.044  -4.096  -6.106
  158    HA   THR  22           HA       THR  22  -4.933  -6.002  -8.391
  159    HB   THR  22           HB       THR  22  -5.778  -6.882  -6.252
  160   HG21  THR  22          HG21      THR  22  -7.943  -4.766  -6.583
  161   HG22  THR  22          HG22      THR  22  -8.072  -6.165  -5.495
  162   HG23  THR  22          HG23      THR  22  -6.804  -4.963  -5.225
  163    H    TYR  23           H        TYR  23  -5.078  -2.921  -8.306
  164    HA   TYR  23           HA       TYR  23  -5.832  -1.375  -9.790
  165    HB2  TYR  23           HB2      TYR  23  -6.419  -2.199 -11.726
  166    HB3  TYR  23           HB3      TYR  23  -6.751  -3.763 -11.013
  167    HD1  TYR  23           HD1      TYR  23  -9.184  -3.894  -9.778
  168    HD2  TYR  23           HD2      TYR  23  -8.065  -1.134 -12.878
  169    HE1  TYR  23           HE1      TYR  23 -11.574  -3.610 -10.376
  170    HE2  TYR  23           HE2      TYR  23 -10.460  -0.829 -13.476
  171    HH   TYR  23           HH       TYR  23 -13.079  -2.564 -11.753
  172    H    ARG  24           H        ARG  24  -7.542  -2.791  -7.355
  173    HA   ARG  24           HA       ARG  24  -9.420  -0.475  -7.217
  174    HB2  ARG  24           HB2      ARG  24 -10.548  -2.468  -8.156
  175    HB3  ARG  24           HB3      ARG  24 -10.063  -3.415  -6.747
  176    HG2  ARG  24           HG2      ARG  24 -12.432  -2.705  -6.641
  177    HG3  ARG  24           HG3      ARG  24 -11.504  -2.014  -5.299
  178    HD2  ARG  24           HD2      ARG  24 -11.300   0.108  -6.520
  179    HD3  ARG  24           HD3      ARG  24 -12.149  -0.593  -7.918
  180    HE   ARG  24           HE       ARG  24 -13.777  -0.871  -5.592
  181   HH11  ARG  24          HH11      ARG  24 -12.566   1.633  -7.778
  182   HH12  ARG  24          HH12      ARG  24 -13.935   2.692  -7.512
  183   HH21  ARG  24          HH21      ARG  24 -15.550   0.526  -5.275
  184   HH22  ARG  24          HH22      ARG  24 -15.616   2.068  -6.103
  185    H    THR  25           H        THR  25  -6.872  -1.982  -5.778
  186    HA   THR  25           HA       THR  25  -7.574  -2.266  -3.062
  187    HB   THR  25           HB       THR  25  -4.991  -1.252  -4.321
  188   HG21  THR  25          HG21      THR  25  -5.606  -2.382  -1.564
  189   HG22  THR  25          HG22      THR  25  -3.966  -2.160  -2.225
  190   HG23  THR  25          HG23      THR  25  -5.020  -0.750  -1.966
  191    H    SER  26           H        SER  26  -6.592   0.623  -4.893
  192    HA   SER  26           HA       SER  26  -6.729   2.804  -4.558
  193    HB2  SER  26           HB2      SER  26  -9.069   1.920  -2.845
  194    HB3  SER  26           HB3      SER  26  -8.748   3.618  -3.261
  195    HG   SER  26           HG       SER  26 -10.160   2.570  -4.749
  196    HA   PRO  27           HA       PRO  27  -4.294   4.293  -1.225
  197    HB2  PRO  27           HB2      PRO  27  -5.101   6.928  -1.132
  198    HB3  PRO  27           HB3      PRO  27  -3.988   6.235  -2.347
  199    HG2  PRO  27           HG2      PRO  27  -6.933   6.822  -2.588
  200    HG3  PRO  27           HG3      PRO  27  -5.637   7.068  -3.801
  201    HD2  PRO  27           HD2      PRO  27  -7.358   4.948  -3.867
  202    HD3  PRO  27           HD3      PRO  27  -5.670   4.802  -4.409
  203    H    ASP  28           H        ASP  28  -7.831   4.736  -1.001
  204    HA   ASP  28           HA       ASP  28  -7.771   5.713   1.712
  205    HB2  ASP  28           HB2      ASP  28  -9.655   5.975   0.080
  206    HB3  ASP  28           HB3      ASP  28  -9.949   4.229   0.227
  207    H    THR  29           H        THR  29  -8.237   2.429   0.267
  208    HA   THR  29           HA       THR  29  -8.810   1.160   2.767
  209    HB   THR  29           HB       THR  29  -7.445  -0.073   0.353
  210   HG21  THR  29          HG21      THR  29  -8.673  -2.100   1.082
  211   HG22  THR  29          HG22      THR  29  -7.543  -1.511   2.319
  212   HG23  THR  29          HG23      THR  29  -9.291  -1.208   2.494
  213    H    LEU  30           H        LEU  30  -5.842   1.741   0.855
  214    HA   LEU  30           HA       LEU  30  -4.047   0.346   2.562
  215    HB2  LEU  30           HB2      LEU  30  -3.668   2.760   0.746
  216    HB3  LEU  30           HB3      LEU  30  -2.339   1.836   1.464
  217    HG   LEU  30           HG       LEU  30  -4.456   0.505  -0.268
  218   HD11  LEU  30          HD11      LEU  30  -2.867   0.780  -2.151
  219   HD12  LEU  30          HD12      LEU  30  -3.470   2.340  -1.543
  220   HD13  LEU  30          HD13      LEU  30  -1.826   1.801  -1.131
  221   HD21  LEU  30          HD21      LEU  30  -3.033  -0.954   1.127
  222   HD22  LEU  30          HD22      LEU  30  -2.635  -1.141  -0.594
  223   HD23  LEU  30          HD23      LEU  30  -1.576  -0.173   0.465
  224    H    ARG  31           H        ARG  31  -5.431   3.649   2.685
  225    HA   ARG  31           HA       ARG  31  -3.542   4.755   4.455
  226    HB2  ARG  31           HB2      ARG  31  -5.634   5.774   3.129
  227    HB3  ARG  31           HB3      ARG  31  -6.486   5.449   4.641
  228    HG2  ARG  31           HG2      ARG  31  -4.115   7.268   4.143
  229    HG3  ARG  31           HG3      ARG  31  -5.740   7.713   4.707
  230    HD2  ARG  31           HD2      ARG  31  -5.271   6.410   6.817
  231    HD3  ARG  31           HD3      ARG  31  -3.617   6.179   6.234
  232    HE   ARG  31           HE       ARG  31  -3.159   8.489   6.481
  233   HH11  ARG  31          HH11      ARG  31  -6.424   7.663   7.565
  234   HH12  ARG  31          HH12      ARG  31  -6.617   9.140   8.481
  235   HH21  ARG  31          HH21      ARG  31  -3.436  10.391   7.688
  236   HH22  ARG  31          HH22      ARG  31  -4.926  10.677   8.555
  237    H    ARG  32           H        ARG  32  -6.714   3.265   5.197
  238    HA   ARG  32           HA       ARG  32  -6.117   3.308   8.064
  239    HB2  ARG  32           HB2      ARG  32  -8.412   2.420   8.270
  240    HB3  ARG  32           HB3      ARG  32  -8.368   3.770   7.126
  241    HG2  ARG  32           HG2      ARG  32  -7.924   1.669   5.413
  242    HG3  ARG  32           HG3      ARG  32  -8.937   0.884   6.637
  243    HD2  ARG  32           HD2      ARG  32  -9.557   3.470   5.147
  244    HD3  ARG  32           HD3      ARG  32 -10.232   1.875   4.758
  245    HE   ARG  32           HE       ARG  32 -10.848   2.312   7.449
  246   HH11  ARG  32          HH11      ARG  32 -11.550   3.923   4.370
  247   HH12  ARG  32          HH12      ARG  32 -13.086   4.534   4.921
  248   HH21  ARG  32          HH21      ARG  32 -12.846   3.146   8.131
  249   HH22  ARG  32          HH22      ARG  32 -13.819   4.106   7.044
  250    H    VAL  33           H        VAL  33  -5.221   1.228   5.612
  251    HA   VAL  33           HA       VAL  33  -5.182  -1.202   7.312
  252    HB   VAL  33           HB       VAL  33  -4.560  -0.510   4.449
  253   HG11  VAL  33          HG11      VAL  33  -3.777  -3.095   5.842
  254   HG12  VAL  33          HG12      VAL  33  -3.826  -2.861   4.078
  255   HG13  VAL  33          HG13      VAL  33  -2.683  -1.928   5.066
  256   HG21  VAL  33          HG21      VAL  33  -6.876  -1.149   5.264
  257   HG22  VAL  33          HG22      VAL  33  -6.219  -2.276   4.053
  258   HG23  VAL  33          HG23      VAL  33  -6.215  -2.705   5.787
  259    H    PHE  34           H        PHE  34  -3.229   1.564   6.664
  260    HA   PHE  34           HA       PHE  34  -0.802   0.121   7.668
  261    HB2  PHE  34           HB2      PHE  34  -1.247   2.122   5.455
  262    HB3  PHE  34           HB3      PHE  34   0.289   2.128   6.298
  263    HD1  PHE  34           HD2      PHE  34   1.609  -0.009   6.494
  264    HD2  PHE  34           HD1      PHE  34  -1.610   0.547   3.724
  265    HE1  PHE  34           HE2      PHE  34   2.483  -1.897   5.110
  266    HE2  PHE  34           HE1      PHE  34  -0.741  -1.298   2.322
  267    HZ   PHE  34           HZ       PHE  34   1.301  -2.549   3.042
  268    H    GLU  35           H        GLU  35  -2.651   3.221   7.657
  269    HA   GLU  35           HA       GLU  35  -0.800   4.407   9.402
  270    HB2  GLU  35           HB2      GLU  35  -2.311   6.233   9.562
  271    HB3  GLU  35           HB3      GLU  35  -2.639   5.504   7.989
  272    HG2  GLU  35           HG2      GLU  35  -4.779   5.834   8.783
  273    HG3  GLU  35           HG3      GLU  35  -4.475   4.161   9.286
  274    H    LYS  36           H        LYS  36  -3.136   1.974   9.823
  275    HA   LYS  36           HA       LYS  36  -4.129   2.427  12.412
  276    HB2  LYS  36           HB2      LYS  36  -4.700   0.048  12.357
  277    HB3  LYS  36           HB3      LYS  36  -5.018   0.787  10.775
  278    HG2  LYS  36           HG2      LYS  36  -2.713  -0.081  10.058
  279    HG3  LYS  36           HG3      LYS  36  -2.695  -0.998  11.580
  280    HD2  LYS  36           HD2      LYS  36  -4.625  -1.264   9.248
  281    HD3  LYS  36           HD3      LYS  36  -3.461  -2.467   9.830
  282    HE2  LYS  36           HE2      LYS  36  -4.763  -2.497  12.014
  283    HE3  LYS  36           HE3      LYS  36  -5.971  -1.468  11.205
  284    HZ1  LYS  36           HZ1      LYS  36  -6.279  -3.197   9.582
  285    HZ2  LYS  36           HZ2      LYS  36  -5.154  -4.152  10.313
  286    HZ3  LYS  36           HZ3      LYS  36  -6.564  -3.785  11.080
  287    H    TYR  37           H        TYR  37  -1.069   1.014  11.279
  288    HA   TYR  37           HA       TYR  37  -0.388  -0.032  13.858
  289    HB2  TYR  37           HB2      TYR  37   1.292   0.613  11.413
  290    HB3  TYR  37           HB3      TYR  37   1.893  -0.268  12.821
  291    HD1  TYR  37           HD2      TYR  37   1.149  -2.523  13.342
  292    HD2  TYR  37           HD1      TYR  37  -0.246  -0.456   9.837
  293    HE1  TYR  37           HE2      TYR  37   0.289  -4.665  12.430
  294    HE2  TYR  37           HE1      TYR  37  -1.106  -2.576   8.917
  295    HH   TYR  37           HH       TYR  37  -1.377  -4.838   9.253
  296    H    GLY  38           H        GLY  38  -0.152   3.108  12.337
  297    HA2  GLY  38           HA2      GLY  38   0.596   4.355  14.815
  298    HA3  GLY  38           HA3      GLY  38   1.991   4.277  13.718
  299    H    ARG  39           H        ARG  39   1.285   4.961  11.313
  300    HA   ARG  39           HA       ARG  39  -0.862   6.794  10.950
  301    HB2  ARG  39           HB2      ARG  39   1.189   7.972  12.444
  302    HB3  ARG  39           HB3      ARG  39   1.677   8.338  10.801
  303    HG2  ARG  39           HG2      ARG  39   0.399  10.168  11.259
  304    HG3  ARG  39           HG3      ARG  39  -0.849   9.148  10.532
  305    HD2  ARG  39           HD2      ARG  39  -0.265   9.159  13.509
  306    HD3  ARG  39           HD3      ARG  39  -1.329  10.371  12.782
  307    HE   ARG  39           HE       ARG  39  -2.396   7.969  11.913
  308   HH11  ARG  39          HH11      ARG  39  -1.611   9.366  15.066
  309   HH12  ARG  39          HH12      ARG  39  -2.887   8.501  15.893
  310   HH21  ARG  39          HH21      ARG  39  -4.017   6.865  13.004
  311   HH22  ARG  39          HH22      ARG  39  -4.240   7.051  14.733
  312    H    VAL  40           H        VAL  40  -0.619   8.009   8.894
  313    HA   VAL  40           HA       VAL  40   1.380   6.822   7.041
  314    HB   VAL  40           HB       VAL  40  -1.618   7.090   6.716
  315   HG11  VAL  40          HG11      VAL  40   0.475   6.744   4.540
  316   HG12  VAL  40          HG12      VAL  40  -1.259   6.403   4.350
  317   HG13  VAL  40          HG13      VAL  40  -0.705   8.069   4.666
  318   HG21  VAL  40          HG21      VAL  40  -0.376   4.920   7.502
  319   HG22  VAL  40          HG22      VAL  40  -1.526   4.776   6.134
  320   HG23  VAL  40          HG23      VAL  40   0.217   4.848   5.833
  321    H    GLY  41           H        GLY  41   2.685   8.506   6.935
  322    HA2  GLY  41           HA2      GLY  41   2.011  11.255   6.889
  323    HA3  GLY  41           HA3      GLY  41   3.507  10.522   6.263
  324    H    ASP  42           H        ASP  42   2.046   8.814   4.296
  325    HA   ASP  42           HA       ASP  42   0.766  10.685   2.428
  326    HB2  ASP  42           HB2      ASP  42   3.554   9.543   2.092
  327    HB3  ASP  42           HB3      ASP  42   2.548   9.894   0.684
  328    H    VAL  43           H        VAL  43  -0.506   9.559   0.969
  329    HA   VAL  43           HA       VAL  43   0.023   6.710   0.515
  330    HB   VAL  43           HB       VAL  43  -1.611   7.270   2.585
  331   HG11  VAL  43          HG11      VAL  43  -3.530   6.914   0.266
  332   HG12  VAL  43          HG12      VAL  43  -3.943   6.912   1.989
  333   HG13  VAL  43          HG13      VAL  43  -3.346   8.401   1.251
  334   HG21  VAL  43          HG21      VAL  43  -1.777   4.948   0.689
  335   HG22  VAL  43          HG22      VAL  43  -0.852   5.109   2.224
  336   HG23  VAL  43          HG23      VAL  43  -2.602   5.020   2.270
  337    H    TYR  44           H        TYR  44   0.081   6.631  -1.654
  338    HA   TYR  44           HA       TYR  44  -2.235   7.656  -3.114
  339    HB2  TYR  44           HB2      TYR  44  -1.218   9.233  -4.438
  340    HB3  TYR  44           HB3      TYR  44  -0.489   9.563  -2.879
  341    HD1  TYR  44           HD1      TYR  44   1.911   8.982  -2.485
  342    HD2  TYR  44           HD2      TYR  44   0.015   8.320  -6.281
  343    HE1  TYR  44           HE1      TYR  44   4.142   8.805  -3.563
  344    HE2  TYR  44           HE2      TYR  44   2.226   8.095  -7.362
  345    HH   TYR  44           HH       TYR  44   5.292   8.488  -5.535
  346    H    ILE  45           H        ILE  45  -2.070   7.118  -5.487
  347    HA   ILE  45           HA       ILE  45  -0.500   4.612  -5.883
  348    HB   ILE  45           HB       ILE  45  -3.384   5.259  -6.574
  349   HG12  ILE  45          HG12      ILE  45  -3.813   3.029  -5.666
  350   HG13  ILE  45          HG13      ILE  45  -2.096   2.806  -5.305
  351   HG21  ILE  45          HG21      ILE  45  -1.583   3.059  -7.692
  352   HG22  ILE  45          HG22      ILE  45  -3.344   3.165  -7.931
  353   HG23  ILE  45          HG23      ILE  45  -2.279   4.408  -8.618
  354   HD11  ILE  45          HD11      ILE  45  -3.667   5.099  -4.109
  355   HD12  ILE  45          HD12      ILE  45  -3.676   3.467  -3.385
  356   HD13  ILE  45          HD13      ILE  45  -2.156   4.354  -3.518
  357    HA   PRO  46           HA       PRO  46   0.931   7.156  -9.367
  358    HB2  PRO  46           HB2      PRO  46   2.999   5.533 -10.095
  359    HB3  PRO  46           HB3      PRO  46   3.064   6.616  -8.668
  360    HG2  PRO  46           HG2      PRO  46   2.390   3.660  -8.728
  361    HG3  PRO  46           HG3      PRO  46   3.526   4.530  -7.628
  362    HD2  PRO  46           HD2      PRO  46   0.982   3.886  -6.932
  363    HD3  PRO  46           HD3      PRO  46   1.774   5.389  -6.362
  364    H    ARG  47           H        ARG  47  -1.390   6.213  -9.966
  365    HA   ARG  47           HA       ARG  47  -1.652   3.929 -11.610
  366    HB2  ARG  47           HB2      ARG  47  -3.214   6.294 -10.824
  367    HB3  ARG  47           HB3      ARG  47  -3.535   5.774 -12.502
  368    HG2  ARG  47           HG2      ARG  47  -3.977   3.533 -11.828
  369    HG3  ARG  47           HG3      ARG  47  -3.724   3.952 -10.107
  370    HD2  ARG  47           HD2      ARG  47  -6.116   4.055 -10.585
  371    HD3  ARG  47           HD3      ARG  47  -5.492   5.709 -10.365
  372    HE   ARG  47           HE       ARG  47  -5.338   5.041 -13.128
  373   HH11  ARG  47          HH11      ARG  47  -7.855   5.649 -10.714
  374   HH12  ARG  47          HH12      ARG  47  -8.985   6.250 -11.904
  375   HH21  ARG  47          HH21      ARG  47  -6.784   5.791 -14.605
  376   HH22  ARG  47          HH22      ARG  47  -8.393   6.317 -14.126
  377    H    ASP  48           H        ASP  48  -2.836   4.488 -13.831
  378    HA   ASP  48           HA       ASP  48  -0.874   4.830 -15.783
  379    HB2  ASP  48           HB2      ASP  48  -2.684   4.613 -17.308
  380    HB3  ASP  48           HB3      ASP  48  -3.145   3.658 -15.885
  381    H    ARG  49           H        ARG  49  -1.571   6.394 -17.777
  382    HA   ARG  49           HA       ARG  49  -2.391   9.053 -16.846
  383    HB2  ARG  49           HB2      ARG  49   0.125   8.862 -16.677
  384    HB3  ARG  49           HB3      ARG  49   0.180   8.612 -18.421
  385    HG2  ARG  49           HG2      ARG  49   0.667  10.957 -17.739
  386    HG3  ARG  49           HG3      ARG  49  -0.730  10.853 -18.814
  387    HD2  ARG  49           HD2      ARG  49  -1.096  12.409 -16.895
  388    HD3  ARG  49           HD3      ARG  49  -2.260  11.082 -16.921
  389    HE   ARG  49           HE       ARG  49  -1.291  10.167 -14.988
  390   HH11  ARG  49          HH11      ARG  49   0.580  12.948 -16.114
  391   HH12  ARG  49          HH12      ARG  49   1.485  13.087 -14.623
  392   HH21  ARG  49          HH21      ARG  49  -0.091  10.371 -13.062
  393   HH22  ARG  49          HH22      ARG  49   1.099  11.636 -12.903
  394    H    TYR  50           H        TYR  50  -2.758   6.533 -18.969
  395    HA   TYR  50           HA       TYR  50  -4.145   8.195 -20.930
  396    HB2  TYR  50           HB2      TYR  50  -2.850   7.129 -22.817
  397    HB3  TYR  50           HB3      TYR  50  -1.989   8.341 -21.875
  398    HD1  TYR  50           HD1      TYR  50  -2.234   4.722 -22.626
  399    HD2  TYR  50           HD2      TYR  50  -0.078   7.793 -20.524
  400    HE1  TYR  50           HE1      TYR  50  -0.389   3.124 -22.194
  401    HE2  TYR  50           HE2      TYR  50   1.773   6.195 -20.076
  402    HH   TYR  50           HH       TYR  50   1.643   2.799 -21.211
  403    H    THR  51           H        THR  51  -4.619   5.842 -18.923
  404    HA   THR  51           HA       THR  51  -6.128   4.179 -20.862
  405    HB   THR  51           HB       THR  51  -5.413   2.115 -19.825
  406   HG21  THR  51          HG21      THR  51  -3.986   3.041 -21.652
  407   HG22  THR  51          HG22      THR  51  -2.938   3.777 -20.416
  408   HG23  THR  51          HG23      THR  51  -3.092   2.009 -20.505
  409    H    LYS  52           H        LYS  52  -7.153   2.319 -19.114
  410    HA   LYS  52           HA       LYS  52  -8.796   3.977 -17.262
  411    HB2  LYS  52           HB2      LYS  52  -9.630   1.512 -18.841
  412    HB3  LYS  52           HB3      LYS  52 -10.673   2.536 -17.831
  413    HG2  LYS  52           HG2      LYS  52  -9.295   3.351 -20.423
  414    HG3  LYS  52           HG3      LYS  52 -11.020   3.014 -20.193
  415    HD2  LYS  52           HD2      LYS  52 -11.166   4.896 -18.573
  416    HD3  LYS  52           HD3      LYS  52  -9.451   5.267 -18.876
  417    HE2  LYS  52           HE2      LYS  52  -9.945   5.602 -21.278
  418    HE3  LYS  52           HE3      LYS  52 -11.653   5.256 -20.972
  419    HZ1  LYS  52           HZ1      LYS  52 -10.126   7.489 -19.800
  420    HZ2  LYS  52           HZ2      LYS  52 -11.231   7.617 -21.006
  421    HZ3  LYS  52           HZ3      LYS  52 -11.717   7.163 -19.510
  422    H    GLU  53           H        GLU  53  -6.264   2.447 -16.726
  423    HA   GLU  53           HA       GLU  53  -7.298   0.699 -14.569
  424    HB2  GLU  53           HB2      GLU  53  -5.746  -1.094 -15.219
  425    HB3  GLU  53           HB3      GLU  53  -6.953  -0.774 -16.474
  426    HG2  GLU  53           HG2      GLU  53  -5.299   0.563 -17.732
  427    HG3  GLU  53           HG3      GLU  53  -4.078   0.246 -16.482
  428    H    SER  54           H        SER  54  -4.687  -0.303 -13.873
  429    HA   SER  54           HA       SER  54  -3.306   2.220 -13.070
  430    HB2  SER  54           HB2      SER  54  -3.881  -0.142 -11.242
  431    HB3  SER  54           HB3      SER  54  -3.167   1.417 -10.792
  432    HG   SER  54           HG       SER  54  -5.405   1.276 -10.290
  433    H    ARG  55           H        ARG  55  -1.082   1.764 -12.188
  434    HA   ARG  55           HA       ARG  55   0.352   0.023 -13.991
  435    HB2  ARG  55           HB2      ARG  55   1.198   1.611 -11.529
  436    HB3  ARG  55           HB3      ARG  55   2.323   0.793 -12.627
  437    HG2  ARG  55           HG2      ARG  55   0.367   2.977 -13.462
  438    HG3  ARG  55           HG3      ARG  55   2.087   3.232 -13.095
  439    HD2  ARG  55           HD2      ARG  55   2.702   1.633 -14.887
  440    HD3  ARG  55           HD3      ARG  55   0.980   1.439 -15.294
  441    HE   ARG  55           HE       ARG  55   1.774   4.211 -15.335
  442   HH11  ARG  55          HH11      ARG  55   1.957   1.217 -17.198
  443   HH12  ARG  55          HH12      ARG  55   2.076   2.043 -18.734
  444   HH21  ARG  55          HH21      ARG  55   1.958   5.261 -17.353
  445   HH22  ARG  55          HH22      ARG  55   2.080   4.303 -18.818
  446    H    GLY  56           H        GLY  56  -1.107  -0.507 -10.893
  447    HA2  GLY  56           HA2      GLY  56  -1.441  -2.740 -10.143
  448    HA3  GLY  56           HA3      GLY  56   0.084  -3.226 -10.908
  449    H    PHE  57           H        PHE  57   0.359  -0.246  -9.132
  450    HA   PHE  57           HA       PHE  57   1.059  -1.552  -6.581
  451    HB2  PHE  57           HB2      PHE  57   3.285  -0.933  -6.566
  452    HB3  PHE  57           HB3      PHE  57   3.059  -1.742  -8.121
  453    HD1  PHE  57           HD1      PHE  57   2.545  -0.036 -10.149
  454    HD2  PHE  57           HD2      PHE  57   4.446   1.012  -6.447
  455    HE1  PHE  57           HE1      PHE  57   3.581   1.955 -11.239
  456    HE2  PHE  57           HE2      PHE  57   5.497   2.985  -7.541
  457    HZ   PHE  57           HZ       PHE  57   5.047   3.459  -9.930
  458    H    ALA  58           H        ALA  58   1.410  -0.055  -4.901
  459    HA   ALA  58           HA       ALA  58   0.203   2.619  -5.410
  460    HB1  ALA  58           HB1      ALA  58  -0.343   2.540  -2.976
  461    HB2  ALA  58           HB2      ALA  58  -1.121   1.242  -3.886
  462    HB3  ALA  58           HB3      ALA  58   0.323   0.899  -2.898
  463    H    PHE  59           H        PHE  59   1.001   3.768  -3.028
  464    HA   PHE  59           HA       PHE  59   3.856   3.556  -2.549
  465    HB2  PHE  59           HB2      PHE  59   3.193   4.970  -4.803
  466    HB3  PHE  59           HB3      PHE  59   2.964   6.232  -3.615
  467    HD1  PHE  59           HD1      PHE  59   5.274   5.699  -1.731
  468    HD2  PHE  59           HD2      PHE  59   5.028   5.446  -6.019
  469    HE1  PHE  59           HE1      PHE  59   7.702   6.141  -1.903
  470    HE2  PHE  59           HE2      PHE  59   7.455   5.864  -6.192
  471    HZ   PHE  59           HZ       PHE  59   8.798   6.237  -4.131
  472    H    VAL  60           H        VAL  60   2.335   2.921  -0.703
  473    HA   VAL  60           HA       VAL  60   1.539   5.395   0.676
  474    HB   VAL  60           HB       VAL  60   0.885   4.326   2.440
  475   HG11  VAL  60          HG11      VAL  60  -0.408   3.336   0.693
  476   HG12  VAL  60          HG12      VAL  60   0.745   2.020   0.471
  477   HG13  VAL  60          HG13      VAL  60  -0.162   2.157   1.995
  478   HG21  VAL  60          HG21      VAL  60   2.846   3.604   3.413
  479   HG22  VAL  60          HG22      VAL  60   1.740   2.246   3.453
  480   HG23  VAL  60          HG23      VAL  60   3.066   2.287   2.243
  481    H    ARG  61           H        ARG  61   2.847   6.683   1.975
  482    HA   ARG  61           HA       ARG  61   5.589   5.675   2.511
  483    HB2  ARG  61           HB2      ARG  61   6.117   7.001   0.737
  484    HB3  ARG  61           HB3      ARG  61   4.751   8.120   0.981
  485    HG2  ARG  61           HG2      ARG  61   5.893   9.098   2.950
  486    HG3  ARG  61           HG3      ARG  61   7.230   7.940   2.749
  487    HD2  ARG  61           HD2      ARG  61   7.920   9.998   1.738
  488    HD3  ARG  61           HD3      ARG  61   7.549   8.859   0.422
  489    HE   ARG  61           HE       ARG  61   5.604  10.950   1.349
  490   HH11  ARG  61          HH11      ARG  61   7.342   9.325  -1.277
  491   HH12  ARG  61          HH12      ARG  61   6.513  10.238  -2.520
  492   HH21  ARG  61          HH21      ARG  61   4.570  12.108  -0.282
  493   HH22  ARG  61          HH22      ARG  61   4.934  11.785  -1.962
  494    H    PHE  62           H        PHE  62   6.411   5.960   4.241
  495    HA   PHE  62           HA       PHE  62   4.669   7.235   6.339
  496    HB2  PHE  62           HB2      PHE  62   6.660   4.986   6.431
  497    HB3  PHE  62           HB3      PHE  62   6.212   5.883   7.878
  498    HD1  PHE  62           HD1      PHE  62   3.846   5.043   5.074
  499    HD2  PHE  62           HD2      PHE  62   5.108   4.271   9.116
  500    HE1  PHE  62           HE1      PHE  62   1.791   3.760   5.446
  501    HE2  PHE  62           HE2      PHE  62   3.066   2.918   9.486
  502    HZ   PHE  62           HZ       PHE  62   1.425   2.646   7.700
  503    H    HIS  63           H        HIS  63   5.339   8.810   7.567
  504    HA   HIS  63           HA       HIS  63   7.731  10.321   6.877
  505    HB2  HIS  63           HB2      HIS  63   6.713  11.888   8.569
  506    HB3  HIS  63           HB3      HIS  63   5.616  11.453   7.256
  507    HD2  HIS  63           HD2      HIS  63   3.367  11.832   8.688
  508    HE1  HIS  63           HE1      HIS  63   4.017   8.748  11.545
  509    HE2  HIS  63           HE2      HIS  63   2.327  10.452  10.642
  510    H    ASP  64           H        ASP  64   7.155   7.695   8.930
  511    HA   ASP  64           HA       ASP  64   9.502   8.348  10.593
  512    HB2  ASP  64           HB2      ASP  64   7.495   9.211  11.782
  513    HB3  ASP  64           HB3      ASP  64   6.815   7.575  11.793
  514    H    LYS  65           H        LYS  65  10.768   6.655  10.292
  515    HA   LYS  65           HA       LYS  65  10.062   4.203   9.169
  516    HB2  LYS  65           HB2      LYS  65  12.306   3.513   9.737
  517    HB3  LYS  65           HB3      LYS  65  12.302   5.210   9.249
  518    HG2  LYS  65           HG2      LYS  65  12.091   5.704  11.820
  519    HG3  LYS  65           HG3      LYS  65  12.638   4.028  12.015
  520    HD2  LYS  65           HD2      LYS  65  14.082   6.267  10.535
  521    HD3  LYS  65           HD3      LYS  65  14.550   5.575  12.101
  522    HE2  LYS  65           HE2      LYS  65  14.987   3.406  11.026
  523    HE3  LYS  65           HE3      LYS  65  14.441   4.059   9.465
  524    HZ1  LYS  65           HZ1      LYS  65  16.840   4.107   9.690
  525    HZ2  LYS  65           HZ2      LYS  65  16.222   5.614   9.526
  526    HZ3  LYS  65           HZ3      LYS  65  16.717   5.092  11.009
  527    H    ARG  66           H        ARG  66   9.776   5.196  12.556
  528    HA   ARG  66           HA       ARG  66   9.872   2.537  13.668
  529    HB2  ARG  66           HB2      ARG  66   8.551   5.104  14.654
  530    HB3  ARG  66           HB3      ARG  66   8.773   3.643  15.636
  531    HG2  ARG  66           HG2      ARG  66  11.020   5.267  14.365
  532    HG3  ARG  66           HG3      ARG  66  10.513   5.376  16.056
  533    HD2  ARG  66           HD2      ARG  66  11.578   2.865  14.702
  534    HD3  ARG  66           HD3      ARG  66  12.511   3.931  15.761
  535    HE   ARG  66           HE       ARG  66  10.635   3.382  17.488
  536   HH11  ARG  66          HH11      ARG  66  11.920   1.085  15.097
  537   HH12  ARG  66          HH12      ARG  66  11.620  -0.296  16.118
  538   HH21  ARG  66          HH21      ARG  66  10.261   1.552  18.768
  539   HH22  ARG  66          HH22      ARG  66  10.686  -0.036  18.177
  540    H    ASP  67           H        ASP  67   7.143   4.686  12.725
  541    HA   ASP  67           HA       ASP  67   5.114   2.718  13.319
  542    HB2  ASP  67           HB2      ASP  67   5.097   5.090  11.409
  543    HB3  ASP  67           HB3      ASP  67   3.667   4.177  11.919
  544    H    ALA  68           H        ALA  68   7.280   3.311  10.612
  545    HA   ALA  68           HA       ALA  68   5.784   1.703   8.711
  546    HB1  ALA  68           HB1      ALA  68   7.222   3.557   7.991
  547    HB2  ALA  68           HB2      ALA  68   8.634   2.785   8.760
  548    HB3  ALA  68           HB3      ALA  68   7.871   2.019   7.361
  549    H    GLU  69           H        GLU  69   8.438   1.181  11.053
  550    HA   GLU  69           HA       GLU  69   9.384  -1.305  10.073
  551    HB2  GLU  69           HB2      GLU  69   9.323   0.102  12.745
  552    HB3  GLU  69           HB3      GLU  69   9.727  -1.614  12.699
  553    HG2  GLU  69           HG2      GLU  69  11.516  -1.123  11.023
  554    HG3  GLU  69           HG3      GLU  69  11.135   0.591  11.101
  555    H    ASP  70           H        ASP  70   6.812  -0.566  12.525
  556    HA   ASP  70           HA       ASP  70   6.320  -3.383  12.920
  557    HB2  ASP  70           HB2      ASP  70   4.517  -1.027  13.570
  558    HB3  ASP  70           HB3      ASP  70   4.422  -2.671  14.226
  559    H    ALA  71           H        ALA  71   4.674  -0.834  10.974
  560    HA   ALA  71           HA       ALA  71   2.499  -2.440  10.141
  561    HB1  ALA  71           HB1      ALA  71   2.629   0.033   9.897
  562    HB2  ALA  71           HB2      ALA  71   3.879  -0.173   8.645
  563    HB3  ALA  71           HB3      ALA  71   2.231  -0.775   8.367
  564    H    MET  72           H        MET  72   5.732  -1.893   8.607
  565    HA   MET  72           HA       MET  72   5.241  -3.534   6.321
  566    HB2  MET  72           HB2      MET  72   7.026  -1.918   6.352
  567    HB3  MET  72           HB3      MET  72   7.709  -2.616   7.834
  568    HG2  MET  72           HG2      MET  72   8.513  -4.528   6.737
  569    HG3  MET  72           HG3      MET  72   7.535  -4.234   5.291
  570    HE1  MET  72           HE1      MET  72   9.229  -1.085   6.902
  571    HE2  MET  72           HE2      MET  72  10.162  -2.440   7.594
  572    HE3  MET  72           HE3      MET  72  10.929  -1.303   6.451
  573    H    ASP  73           H        ASP  73   6.640  -4.240   9.561
  574    HA   ASP  73           HA       ASP  73   7.287  -6.963   8.940
  575    HB2  ASP  73           HB2      ASP  73   8.294  -5.615  10.775
  576    HB3  ASP  73           HB3      ASP  73   6.735  -5.607  11.618
  577    H    ALA  74           H        ALA  74   4.295  -5.411   9.277
  578    HA   ALA  74           HA       ALA  74   2.942  -7.975   9.942
  579    HB1  ALA  74           HB1      ALA  74   2.181  -5.131  10.710
  580    HB2  ALA  74           HB2      ALA  74   1.220  -6.589  11.062
  581    HB3  ALA  74           HB3      ALA  74   2.822  -6.371  11.803
  582    H    MET  75           H        MET  75   3.585  -6.081   7.345
  583    HA   MET  75           HA       MET  75   0.893  -6.600   6.167
  584    HB2  MET  75           HB2      MET  75   2.498  -4.033   6.061
  585    HB3  MET  75           HB3      MET  75   1.258  -4.425   4.883
  586    HG2  MET  75           HG2      MET  75   0.821  -4.237   7.890
  587    HG3  MET  75           HG3      MET  75   0.380  -3.018   6.691
  588    HE1  MET  75           HE1      MET  75  -0.525  -5.399   4.383
  589    HE2  MET  75           HE2      MET  75  -2.255  -5.038   4.523
  590    HE3  MET  75           HE3      MET  75  -1.054  -3.711   4.537
  591    H    ASP  76           H        ASP  76   4.417  -6.685   5.742
  592    HA   ASP  76           HA       ASP  76   4.317  -6.788   2.883
  593    HB2  ASP  76           HB2      ASP  76   6.391  -6.378   4.155
  594    HB3  ASP  76           HB3      ASP  76   6.326  -8.026   4.808
  595    H    GLY  77           H        GLY  77   3.475  -8.286   1.597
  596    HA2  GLY  77           HA2      GLY  77   2.669 -10.258   0.819
  597    HA3  GLY  77           HA3      GLY  77   3.736 -11.102   1.967
  598    H    ALA  78           H        ALA  78   1.306  -8.744   2.984
  599    HA   ALA  78           HA       ALA  78   0.026 -10.819   4.637
  600    HB1  ALA  78           HB1      ALA  78  -0.349  -7.800   4.527
  601    HB2  ALA  78           HB2      ALA  78  -1.011  -8.891   5.762
  602    HB3  ALA  78           HB3      ALA  78   0.748  -8.678   5.635
  603    H    VAL  79           H        VAL  79  -0.394  -9.931   1.555
  604    HA   VAL  79           HA       VAL  79  -2.177  -9.646   0.121
  605    HB   VAL  79           HB       VAL  79  -1.802 -11.956   0.020
  606   HG11  VAL  79          HG11      VAL  79  -2.803 -13.606   1.536
  607   HG12  VAL  79          HG12      VAL  79  -1.636 -12.541   2.341
  608   HG13  VAL  79          HG13      VAL  79  -3.392 -12.294   2.585
  609   HG21  VAL  79          HG21      VAL  79  -3.785 -11.142  -1.013
  610   HG22  VAL  79          HG22      VAL  79  -3.812 -12.876  -0.615
  611   HG23  VAL  79          HG23      VAL  79  -4.765 -11.745   0.369
  612    H    LEU  80           H        LEU  80  -2.865  -7.650   1.255
  613    HA   LEU  80           HA       LEU  80  -5.135  -7.733   2.968
  614    HB2  LEU  80           HB2      LEU  80  -4.969  -5.486   3.045
  615    HB3  LEU  80           HB3      LEU  80  -3.378  -5.803   2.365
  616    HG   LEU  80           HG       LEU  80  -5.894  -4.937   0.859
  617   HD11  LEU  80          HD11      LEU  80  -4.625  -2.878   0.466
  618   HD12  LEU  80          HD12      LEU  80  -4.869  -3.189   2.198
  619   HD13  LEU  80          HD13      LEU  80  -3.283  -3.505   1.445
  620   HD21  LEU  80          HD21      LEU  80  -3.090  -5.525  -0.180
  621   HD22  LEU  80          HD22      LEU  80  -4.610  -6.314  -0.687
  622   HD23  LEU  80          HD23      LEU  80  -4.326  -4.619  -1.082
  623    H    ASP  81           H        ASP  81  -4.969  -8.550  -0.329
  624    HA   ASP  81           HA       ASP  81  -7.895  -8.121  -0.544
  625    HB2  ASP  81           HB2      ASP  81  -6.807  -6.315  -1.776
  626    HB3  ASP  81           HB3      ASP  81  -5.832  -7.486  -2.675
  627    H    GLY  82           H        GLY  82  -5.062  -9.656  -2.196
  628    HA2  GLY  82           HA2      GLY  82  -5.557 -12.257  -1.734
  629    HA3  GLY  82           HA3      GLY  82  -6.733 -11.932  -3.037
  630    H    ARG  83           H        ARG  83  -3.580 -10.282  -2.904
  631    HA   ARG  83           HA       ARG  83  -2.545 -12.153  -4.990
  632    HB2  ARG  83           HB2      ARG  83  -1.696 -10.072  -6.164
  633    HB3  ARG  83           HB3      ARG  83  -3.438 -10.387  -6.272
  634    HG2  ARG  83           HG2      ARG  83  -3.988  -8.677  -4.749
  635    HG3  ARG  83           HG3      ARG  83  -2.355  -8.611  -4.056
  636    HD2  ARG  83           HD2      ARG  83  -2.849  -6.709  -5.566
  637    HD3  ARG  83           HD3      ARG  83  -1.443  -7.680  -6.046
  638    HE   ARG  83           HE       ARG  83  -4.149  -8.038  -7.297
  639   HH11  ARG  83          HH11      ARG  83  -0.636  -7.618  -7.673
  640   HH12  ARG  83          HH12      ARG  83  -0.694  -7.910  -9.396
  641   HH21  ARG  83          HH21      ARG  83  -4.151  -8.407  -9.527
  642   HH22  ARG  83          HH22      ARG  83  -2.658  -8.318 -10.435
  643    H    GLU  84           H        GLU  84  -1.963 -10.132  -2.262
  644    HA   GLU  84           HA       GLU  84  -0.436 -10.724  -0.642
  645    HB2  GLU  84           HB2      GLU  84   0.458 -12.547  -2.541
  646    HB3  GLU  84           HB3      GLU  84   1.872 -11.511  -2.250
  647    HG2  GLU  84           HG2      GLU  84   1.312 -11.839   0.265
  648    HG3  GLU  84           HG3      GLU  84   0.202 -13.086  -0.245
  649    H    LEU  85           H        LEU  85  -0.467  -8.601  -0.191
  650    HA   LEU  85           HA       LEU  85   0.575  -6.521  -1.678
  651    HB2  LEU  85           HB2      LEU  85  -0.940  -6.517   0.355
  652    HB3  LEU  85           HB3      LEU  85   0.495  -6.759   1.356
  653    HG   LEU  85           HG       LEU  85   1.411  -4.595   0.528
  654   HD11  LEU  85          HD11      LEU  85  -0.072  -3.100  -0.775
  655   HD12  LEU  85          HD12      LEU  85   0.353  -4.547  -1.696
  656   HD13  LEU  85          HD13      LEU  85  -1.254  -4.437  -0.954
  657   HD21  LEU  85          HD21      LEU  85   0.122  -4.623   2.546
  658   HD22  LEU  85          HD22      LEU  85  -0.310  -3.173   1.605
  659   HD23  LEU  85          HD23      LEU  85  -1.410  -4.581   1.632
  660    H    ARG  86           H        ARG  86   2.449  -5.092  -1.181
  661    HA   ARG  86           HA       ARG  86   4.823  -6.579  -0.163
  662    HB2  ARG  86           HB2      ARG  86   4.651  -4.779  -2.609
  663    HB3  ARG  86           HB3      ARG  86   6.143  -5.489  -1.964
  664    HG2  ARG  86           HG2      ARG  86   3.757  -7.054  -3.036
  665    HG3  ARG  86           HG3      ARG  86   5.261  -6.734  -3.916
  666    HD2  ARG  86           HD2      ARG  86   6.548  -7.919  -2.170
  667    HD3  ARG  86           HD3      ARG  86   5.054  -8.245  -1.277
  668    HE   ARG  86           HE       ARG  86   5.487  -9.263  -4.056
  669   HH11  ARG  86          HH11      ARG  86   4.541  -9.809  -0.683
  670   HH12  ARG  86          HH12      ARG  86   4.158 -11.496  -0.961
  671   HH21  ARG  86          HH21      ARG  86   4.924 -11.462  -4.361
  672   HH22  ARG  86          HH22      ARG  86   4.338 -12.403  -3.008
  673    H    VAL  87           H        VAL  87   6.106  -5.434   1.208
  674    HA   VAL  87           HA       VAL  87   5.703  -2.497   1.355
  675    HB   VAL  87           HB       VAL  87   5.710  -4.313   3.800
  676   HG11  VAL  87          HG11      VAL  87   4.880  -2.155   4.848
  677   HG12  VAL  87          HG12      VAL  87   6.550  -2.125   4.228
  678   HG13  VAL  87          HG13      VAL  87   5.243  -1.347   3.311
  679   HG21  VAL  87          HG21      VAL  87   3.654  -4.813   2.666
  680   HG22  VAL  87          HG22      VAL  87   3.300  -3.714   4.014
  681   HG23  VAL  87          HG23      VAL  87   3.332  -3.104   2.341
  682    H    GLN  88           H        GLN  88   7.486  -1.381   1.706
  683    HA   GLN  88           HA       GLN  88   9.935  -2.455   2.823
  684    HB2  GLN  88           HB2      GLN  88  11.202  -2.206   0.649
  685    HB3  GLN  88           HB3      GLN  88  10.153  -3.631   0.748
  686    HG2  GLN  88           HG2      GLN  88   8.438  -2.546  -0.602
  687    HG3  GLN  88           HG3      GLN  88   9.354  -1.030  -0.616
  688   HE21  GLN  88          HE22      GLN  88   8.438  -3.100  -2.758
  689   HE22  GLN  88          HE21      GLN  88   9.901  -3.361  -3.689
  690    H    MET  89           H        MET  89  11.461  -0.846   3.167
  691    HA   MET  89           HA       MET  89  10.676   1.819   3.383
  692    HB2  MET  89           HB2      MET  89  13.380   0.496   3.065
  693    HB3  MET  89           HB3      MET  89  13.198   2.235   3.428
  694    HG2  MET  89           HG2      MET  89  11.760   0.111   5.042
  695    HG3  MET  89           HG3      MET  89  13.407   0.582   5.438
  696    HE1  MET  89           HE1      MET  89  10.347   0.835   6.986
  697    HE2  MET  89           HE2      MET  89  11.941   0.854   7.793
  698    HE3  MET  89           HE3      MET  89  10.786   2.187   8.061
  699    H    ALA  90           H        ALA  90  10.682   3.567   2.094
  700    HA   ALA  90           HA       ALA  90  10.772   3.249  -0.790
  701    HB1  ALA  90           HB1      ALA  90  10.487   5.718   0.969
  702    HB2  ALA  90           HB2      ALA  90  10.136   5.612  -0.777
  703    HB3  ALA  90           HB3      ALA  90   9.154   4.709   0.388
  704    H    ARG  91           H        ARG  91  13.287   3.199   1.238
  705    HA   ARG  91           HA       ARG  91  15.363   4.042   1.403
  706    HB2  ARG  91           HB2      ARG  91  16.746   3.803  -0.548
  707    HB3  ARG  91           HB3      ARG  91  15.714   2.390  -0.245
  708    HG2  ARG  91           HG2      ARG  91  14.810   4.490  -2.206
  709    HG3  ARG  91           HG3      ARG  91  16.093   3.366  -2.685
  710    HD2  ARG  91           HD2      ARG  91  13.381   2.467  -1.630
  711    HD3  ARG  91           HD3      ARG  91  13.817   2.595  -3.345
  712    HE   ARG  91           HE       ARG  91  15.818   1.030  -2.338
  713   HH11  ARG  91          HH11      ARG  91  12.297   0.832  -2.157
  714   HH12  ARG  91          HH12      ARG  91  12.279  -0.919  -2.114
  715   HH21  ARG  91          HH21      ARG  91  15.762  -1.259  -2.237
  716   HH22  ARG  91          HH22      ARG  91  14.226  -2.087  -2.131
  717    H    TYR  92           H        TYR  92  13.707   6.109   1.640
  718    HA   TYR  92           HA       TYR  92  15.277   8.357   0.478
  719    HB2  TYR  92           HB2      TYR  92  12.289   7.979   0.632
  720    HB3  TYR  92           HB3      TYR  92  13.054   9.536   0.227
  721    HD1  TYR  92           HD1      TYR  92  15.187   8.496  -1.699
  722    HD2  TYR  92           HD2      TYR  92  11.021   7.542  -1.231
  723    HE1  TYR  92           HE1      TYR  92  15.079   7.788  -4.072
  724    HE2  TYR  92           HE2      TYR  92  10.925   6.742  -3.574
  725    HH   TYR  92           HH       TYR  92  13.780   6.907  -5.748
  726    H    GLY  93           H        GLY  93  14.891  10.392   1.749
  727    HA2  GLY  93           HA2      GLY  93  13.606  10.552   4.213
  728    HA3  GLY  93           HA3      GLY  93  15.209   9.874   4.555
  729    H    ARG  94           H        ARG  94  15.091  12.071   5.784
  730    HA   ARG  94           HA       ARG  94  16.696  13.976   4.224
  731    HB2  ARG  94           HB2      ARG  94  14.188  14.566   4.044
  732    HB3  ARG  94           HB3      ARG  94  14.232  14.867   5.779
  733    HG2  ARG  94           HG2      ARG  94  14.482  16.975   4.678
  734    HG3  ARG  94           HG3      ARG  94  16.082  16.573   5.323
  735    HD2  ARG  94           HD2      ARG  94  16.751  15.725   3.072
  736    HD3  ARG  94           HD3      ARG  94  15.123  16.084   2.467
  737    HE   ARG  94           HE       ARG  94  16.257  18.452   3.595
  738   HH11  ARG  94          HH11      ARG  94  16.617  16.317   0.795
  739   HH12  ARG  94          HH12      ARG  94  17.227  17.594  -0.233
  740   HH21  ARG  94          HH21      ARG  94  17.026  20.077   2.237
  741   HH22  ARG  94          HH22      ARG  94  17.474  19.720   0.584
  742    HA   PRO  95           HA       PRO  95  18.569  13.833   8.286
  743    HB2  PRO  95           HB2      PRO  95  20.463  15.794   8.032
  744    HB3  PRO  95           HB3      PRO  95  20.574  14.231   7.155
  745    HG2  PRO  95           HG2      PRO  95  19.497  16.868   6.123
  746    HG3  PRO  95           HG3      PRO  95  20.692  15.785   5.343
  747    HD2  PRO  95           HD2      PRO  95  18.048  15.702   4.692
  748    HD3  PRO  95           HD3      PRO  95  19.018  14.198   4.783
  749    HA   PRO  96           HA       PRO  96  16.570  17.004  10.613
  750    HB2  PRO  96           HB2      PRO  96  18.132  17.253  12.847
  751    HB3  PRO  96           HB3      PRO  96  17.175  15.780  12.487
  752    HG2  PRO  96           HG2      PRO  96  20.112  16.275  11.918
  753    HG3  PRO  96           HG3      PRO  96  19.371  14.853  12.715
  754    HD2  PRO  96           HD2      PRO  96  19.996  14.853  10.063
  755    HD3  PRO  96           HD3      PRO  96  18.524  14.034  10.670
  756    H    ASP  97           H        ASP  97  19.689  17.479   9.256
  757    HA   ASP  97           HA       ASP  97  20.082  20.231  10.110
  758    HB2  ASP  97           HB2      ASP  97  21.297  18.599   7.842
  759    HB3  ASP  97           HB3      ASP  97  21.872  20.181   8.394
  760    H    SER  98           H        SER  98  17.686  18.935   8.275
  761    HA   SER  98           HA       SER  98  17.315  21.411   6.712
  762    HB2  SER  98           HB2      SER  98  18.590  19.887   5.238
  763    HB3  SER  98           HB3      SER  98  17.367  18.621   5.494
  764    HG   SER  98           HG       SER  98  17.005  21.147   4.259
  765    H    HIS  99           H        HIS  99  15.116  21.395   5.665
  766    HA   HIS  99           HA       HIS  99  13.119  19.679   7.006
  767    HB2  HIS  99           HB2      HIS  99  13.113  22.723   7.135
  768    HB3  HIS  99           HB3      HIS  99  11.816  21.664   7.709
  769    HD2  HIS  99           HD2      HIS  99  12.400  20.091   9.902
  770    HE1  HIS  99           HE1      HIS  99  15.741  22.391  11.181
  771    HE2  HIS  99           HE2      HIS  99  14.089  20.572  11.848
  772    H    HIS 100           H        HIS 100  14.324  20.661   4.197
  773    HA   HIS 100           HA       HIS 100  12.082  21.789   2.807
  774    HB2  HIS 100           HB2      HIS 100  14.516  20.283   1.788
  775    HB3  HIS 100           HB3      HIS 100  13.421  21.266   0.799
  776    HD2  HIS 100           HD2      HIS 100  13.189  23.976   1.958
  777    HE1  HIS 100           HE1      HIS 100  17.362  24.033   2.804
  778    HE2  HIS 100           HE2      HIS 100  15.268  25.465   2.541
  779    H    SER 101           H        SER 101  12.358  18.735   4.130
  780    HA   SER 101           HA       SER 101  10.303  17.643   2.304
  781    HB2  SER 101           HB2      SER 101  12.860  16.161   3.041
  782    HB3  SER 101           HB3      SER 101  11.495  15.501   2.125
  783    HG   SER 101           HG       SER 101  11.892  17.155   0.559
  Start of MODEL   10
    1    H    MET   1           H1       MET   1  -7.595 -14.459   7.680
    2    HA   MET   1           HA       MET   1  -5.650 -13.804   8.890
    3    HB2  MET   1           HB2      MET   1  -6.690 -16.016   9.332
    4    HB3  MET   1           HB3      MET   1  -5.643 -16.748   8.106
    5    HG2  MET   1           HG2      MET   1  -3.646 -16.091   9.398
    6    HG3  MET   1           HG3      MET   1  -4.669 -15.268  10.578
    7    HE1  MET   1           HE1      MET   1  -4.459 -19.866  10.005
    8    HE2  MET   1           HE2      MET   1  -5.270 -18.801   8.833
    9    HE3  MET   1           HE3      MET   1  -3.513 -18.682   9.076
   10    H    SER   2           H        SER   2  -3.679 -12.971   8.661
   11    HA   SER   2           HA       SER   2  -1.678 -14.264   6.940
   12    HB2  SER   2           HB2      SER   2  -1.220 -12.084   5.766
   13    HB3  SER   2           HB3      SER   2  -2.740 -12.879   5.274
   14    HG   SER   2           HG       SER   2  -3.007 -10.653   5.677
   15    H    TYR   3           H        TYR   3   0.336 -12.761   6.896
   16    HA   TYR   3           HA       TYR   3   0.695 -11.079   9.257
   17    HB2  TYR   3           HB2      TYR   3   2.513 -12.316  10.155
   18    HB3  TYR   3           HB3      TYR   3   1.174 -13.449   9.990
   19    HD1  TYR   3           HD2      TYR   3   1.177 -14.823   7.662
   20    HD2  TYR   3           HD1      TYR   3   4.597 -12.955   9.477
   21    HE1  TYR   3           HE2      TYR   3   2.676 -16.322   6.375
   22    HE2  TYR   3           HE1      TYR   3   6.107 -14.436   8.181
   23    HH   TYR   3           HH       TYR   3   6.246 -16.156   6.662
   24    H    GLY   4           H        GLY   4   3.202 -10.458   9.168
   25    HA2  GLY   4           HA2      GLY   4   3.893  -9.853   6.314
   26    HA3  GLY   4           HA3      GLY   4   4.004  -8.642   7.596
   27    H    ARG   5           H        ARG   5   6.261  -8.790   6.390
   28    HA   ARG   5           HA       ARG   5   7.985 -10.628   7.982
   29    HB2  ARG   5           HB2      ARG   5   8.208  -9.973   5.012
   30    HB3  ARG   5           HB3      ARG   5   9.459 -10.756   5.969
   31    HG2  ARG   5           HG2      ARG   5   8.417 -12.562   4.974
   32    HG3  ARG   5           HG3      ARG   5   7.654 -12.521   6.575
   33    HD2  ARG   5           HD2      ARG   5   5.684 -11.384   5.596
   34    HD3  ARG   5           HD3      ARG   5   6.481 -11.347   4.012
   35    HE   ARG   5           HE       ARG   5   6.474 -14.027   4.783
   36   HH11  ARG   5          HH11      ARG   5   4.059 -11.529   4.176
   37   HH12  ARG   5          HH12      ARG   5   2.829 -12.664   3.665
   38   HH21  ARG   5          HH21      ARG   5   4.851 -15.493   4.127
   39   HH22  ARG   5          HH22      ARG   5   3.286 -14.902   3.621
   40    HA   PRO   6           HA       PRO   6  10.018  -6.961   9.110
   41    HB2  PRO   6           HB2      PRO   6  12.473  -7.878   9.899
   42    HB3  PRO   6           HB3      PRO   6  10.958  -8.302  10.763
   43    HG2  PRO   6           HG2      PRO   6  12.414  -9.935   8.654
   44    HG3  PRO   6           HG3      PRO   6  11.829 -10.481  10.258
   45    HD2  PRO   6           HD2      PRO   6  10.388 -10.868   7.975
   46    HD3  PRO   6           HD3      PRO   6   9.582 -10.483   9.526
   47    HA   PRO   7           HA       PRO   7  12.610  -5.375   5.851
   48    HB2  PRO   7           HB2      PRO   7  14.058  -3.461   7.179
   49    HB3  PRO   7           HB3      PRO   7  12.299  -3.302   6.864
   50    HG2  PRO   7           HG2      PRO   7  13.674  -4.276   9.381
   51    HG3  PRO   7           HG3      PRO   7  12.361  -3.055   9.237
   52    HD2  PRO   7           HD2      PRO   7  11.866  -5.668   9.858
   53    HD3  PRO   7           HD3      PRO   7  10.748  -4.726   8.827
   54    HA   PRO   8           HA       PRO   8  16.550  -7.402   5.972
   55    HB2  PRO   8           HB2      PRO   8  18.254  -5.610   4.713
   56    HB3  PRO   8           HB3      PRO   8  17.016  -6.584   3.862
   57    HG2  PRO   8           HG2      PRO   8  16.817  -3.705   4.750
   58    HG3  PRO   8           HG3      PRO   8  16.340  -4.429   3.185
   59    HD2  PRO   8           HD2      PRO   8  14.515  -3.948   5.144
   60    HD3  PRO   8           HD3      PRO   8  14.404  -5.399   4.110
   61    H    ASP   9           H        ASP   9  17.428  -3.984   6.320
   62    HA   ASP   9           HA       ASP   9  18.248  -4.413   9.141
   63    HB2  ASP   9           HB2      ASP   9  20.122  -3.389   6.965
   64    HB3  ASP   9           HB3      ASP   9  20.449  -3.306   8.700
   65    H    VAL  10           H        VAL  10  17.840  -2.182   6.399
   66    HA   VAL  10           HA       VAL  10  17.545   0.056   6.257
   67    HB   VAL  10           HB       VAL  10  15.414   0.790   7.204
   68   HG11  VAL  10          HG11      VAL  10  14.029  -1.030   6.225
   69   HG12  VAL  10          HG12      VAL  10  15.436  -0.620   5.210
   70   HG13  VAL  10          HG13      VAL  10  15.461  -2.085   6.209
   71   HG21  VAL  10          HG21      VAL  10  15.395  -1.849   8.716
   72   HG22  VAL  10          HG22      VAL  10  15.612  -0.251   9.469
   73   HG23  VAL  10          HG23      VAL  10  14.085  -0.653   8.648
   74    H    GLU  11           H        GLU  11  19.597  -0.566   8.209
   75    HA   GLU  11           HA       GLU  11  19.266   1.027  10.559
   76    HB2  GLU  11           HB2      GLU  11  21.659   0.494  10.899
   77    HB3  GLU  11           HB3      GLU  11  20.653  -0.914  10.554
   78    HG2  GLU  11           HG2      GLU  11  22.684  -1.191   9.343
   79    HG3  GLU  11           HG3      GLU  11  21.421  -0.848   8.163
   80    H    GLY  12           H        GLY  12  19.312   2.321   7.598
   81    HA2  GLY  12           HA2      GLY  12  20.683   4.745   8.534
   82    HA3  GLY  12           HA3      GLY  12  21.399   3.937   7.123
   83    H    MET  13           H        MET  13  17.915   3.699   7.384
   84    HA   MET  13           HA       MET  13  17.571   6.081   5.639
   85    HB2  MET  13           HB2      MET  13  16.556   3.283   4.970
   86    HB3  MET  13           HB3      MET  13  16.155   4.774   4.116
   87    HG2  MET  13           HG2      MET  13  17.819   3.883   2.781
   88    HG3  MET  13           HG3      MET  13  18.682   5.073   3.750
   89    HE1  MET  13           HE1      MET  13  18.933   0.466   4.123
   90    HE2  MET  13           HE2      MET  13  17.432   1.367   4.431
   91    HE3  MET  13           HE3      MET  13  18.151   1.364   2.803
   92    H    THR  14           H        THR  14  15.238   6.503   5.223
   93    HA   THR  14           HA       THR  14  13.337   5.525   7.255
   94    HB   THR  14           HB       THR  14  13.458   8.494   6.770
   95   HG21  THR  14          HG21      THR  14  12.875   7.003   9.348
   96   HG22  THR  14          HG22      THR  14  12.379   8.638   8.883
   97   HG23  THR  14          HG23      THR  14  11.612   7.230   8.124
   98    H    SER  15           H        SER  15  11.165   7.018   6.607
   99    HA   SER  15           HA       SER  15   9.460   7.196   5.072
  100    HB2  SER  15           HB2      SER  15  11.601   7.305   2.933
  101    HB3  SER  15           HB3      SER  15   9.906   7.793   2.791
  102    HG   SER  15           HG       SER  15  10.299   9.394   4.356
  103    H    LEU  16           H        LEU  16   8.096   5.825   4.433
  104    HA   LEU  16           HA       LEU  16   9.089   3.105   3.665
  105    HB2  LEU  16           HB2      LEU  16   7.574   3.393   5.667
  106    HB3  LEU  16           HB3      LEU  16   6.311   3.961   4.556
  107    HG   LEU  16           HG       LEU  16   6.416   1.752   3.362
  108   HD11  LEU  16          HD11      LEU  16   7.621  -0.103   4.382
  109   HD12  LEU  16          HD12      LEU  16   8.778   1.186   4.036
  110   HD13  LEU  16          HD13      LEU  16   8.210   0.930   5.698
  111   HD21  LEU  16          HD21      LEU  16   4.752   2.163   5.106
  112   HD22  LEU  16          HD22      LEU  16   5.285   0.471   5.113
  113   HD23  LEU  16          HD23      LEU  16   5.883   1.602   6.350
  114    H    LYS  17           H        LYS  17   7.920   2.003   1.966
  115    HA   LYS  17           HA       LYS  17   6.276   3.545   0.036
  116    HB2  LYS  17           HB2      LYS  17   8.281   3.771  -1.090
  117    HB3  LYS  17           HB3      LYS  17   8.950   2.279  -0.406
  118    HG2  LYS  17           HG2      LYS  17   8.617   1.971  -2.743
  119    HG3  LYS  17           HG3      LYS  17   7.469   0.942  -1.877
  120    HD2  LYS  17           HD2      LYS  17   5.714   2.730  -2.271
  121    HD3  LYS  17           HD3      LYS  17   6.908   3.591  -3.267
  122    HE2  LYS  17           HE2      LYS  17   5.920   0.756  -3.754
  123    HE3  LYS  17           HE3      LYS  17   5.381   2.196  -4.630
  124    HZ1  LYS  17           HZ1      LYS  17   7.637   2.517  -5.390
  125    HZ2  LYS  17           HZ2      LYS  17   8.147   1.173  -4.593
  126    HZ3  LYS  17           HZ3      LYS  17   7.094   1.036  -5.839
  127    H    VAL  18           H        VAL  18   4.589   2.286  -0.603
  128    HA   VAL  18           HA       VAL  18   4.762  -0.681  -0.169
  129    HB   VAL  18           HB       VAL  18   2.621   1.317   0.499
  130   HG11  VAL  18          HG11      VAL  18   2.261  -1.688   0.073
  131   HG12  VAL  18          HG12      VAL  18   1.054  -0.620   0.832
  132   HG13  VAL  18          HG13      VAL  18   1.482  -0.411  -0.872
  133   HG21  VAL  18          HG21      VAL  18   4.281   0.660   2.205
  134   HG22  VAL  18          HG22      VAL  18   2.648   0.082   2.638
  135   HG23  VAL  18          HG23      VAL  18   3.857  -1.043   1.951
  136    H    ASP  19           H        ASP  19   3.912  -1.926  -1.685
  137    HA   ASP  19           HA       ASP  19   2.924  -0.827  -4.259
  138    HB2  ASP  19           HB2      ASP  19   5.060  -0.843  -4.949
  139    HB3  ASP  19           HB3      ASP  19   5.605  -1.811  -3.583
  140    H    ASN  20           H        ASN  20   2.512  -2.684  -5.797
  141    HA   ASN  20           HA       ASN  20   1.470  -4.574  -6.426
  142    HB2  ASN  20           HB2      ASN  20   2.871  -5.677  -4.517
  143    HB3  ASN  20           HB3      ASN  20   1.310  -5.720  -3.660
  144   HD21  ASN  20          HD22      ASN  20   0.511  -7.792  -3.805
  145   HD22  ASN  20          HD21      ASN  20   0.549  -8.749  -5.265
  146    H    LEU  21           H        LEU  21  -0.477  -4.062  -7.088
  147    HA   LEU  21           HA       LEU  21  -2.699  -3.815  -5.109
  148    HB2  LEU  21           HB2      LEU  21  -2.422  -2.163  -7.642
  149    HB3  LEU  21           HB3      LEU  21  -3.653  -2.000  -6.387
  150    HG   LEU  21           HG       LEU  21  -0.690  -1.404  -6.066
  151   HD11  LEU  21          HD11      LEU  21  -3.148   0.392  -6.280
  152   HD12  LEU  21          HD12      LEU  21  -1.477   0.949  -6.044
  153   HD13  LEU  21          HD13      LEU  21  -1.933   0.150  -7.558
  154   HD21  LEU  21          HD21      LEU  21  -2.873  -0.578  -4.149
  155   HD22  LEU  21          HD22      LEU  21  -2.064  -2.150  -3.966
  156   HD23  LEU  21          HD23      LEU  21  -1.107  -0.669  -3.901
  157    H    THR  22           H        THR  22  -4.859  -3.853  -6.429
  158    HA   THR  22           HA       THR  22  -4.650  -5.836  -8.641
  159    HB   THR  22           HB       THR  22  -5.279  -6.924  -6.490
  160   HG21  THR  22          HG21      THR  22  -7.515  -6.553  -5.563
  161   HG22  THR  22          HG22      THR  22  -6.541  -5.079  -5.441
  162   HG23  THR  22          HG23      THR  22  -7.800  -5.224  -6.698
  163    H    TYR  23           H        TYR  23  -5.148  -2.796  -8.341
  164    HA   TYR  23           HA       TYR  23  -6.144  -1.276  -9.690
  165    HB2  TYR  23           HB2      TYR  23  -6.764  -2.036 -11.635
  166    HB3  TYR  23           HB3      TYR  23  -6.851  -3.665 -11.002
  167    HD1  TYR  23           HD2      TYR  23  -9.187  -4.051  -9.513
  168    HD2  TYR  23           HD1      TYR  23  -8.595  -1.268 -12.738
  169    HE1  TYR  23           HE2      TYR  23 -11.616  -4.043  -9.936
  170    HE2  TYR  23           HE1      TYR  23 -11.044  -1.275 -13.191
  171    HH   TYR  23           HH       TYR  23 -13.086  -2.085 -12.564
  172    H    ARG  24           H        ARG  24  -7.510  -2.962  -7.246
  173    HA   ARG  24           HA       ARG  24  -9.769  -1.006  -6.926
  174    HB2  ARG  24           HB2      ARG  24 -10.519  -3.221  -7.651
  175    HB3  ARG  24           HB3      ARG  24  -9.670  -3.962  -6.284
  176    HG2  ARG  24           HG2      ARG  24 -11.197  -2.722  -4.714
  177    HG3  ARG  24           HG3      ARG  24 -11.990  -1.981  -6.124
  178    HD2  ARG  24           HD2      ARG  24 -13.293  -3.875  -5.390
  179    HD3  ARG  24           HD3      ARG  24 -12.524  -4.271  -6.953
  180    HE   ARG  24           HE       ARG  24 -10.947  -5.093  -4.649
  181   HH11  ARG  24          HH11      ARG  24 -13.644  -6.052  -6.726
  182   HH12  ARG  24          HH12      ARG  24 -13.439  -7.758  -6.396
  183   HH21  ARG  24          HH21      ARG  24 -10.694  -7.312  -4.256
  184   HH22  ARG  24          HH22      ARG  24 -11.778  -8.470  -4.988
  185    H    THR  25           H        THR  25  -6.830  -2.139  -5.638
  186    HA   THR  25           HA       THR  25  -7.419  -2.252  -2.867
  187    HB   THR  25           HB       THR  25  -4.888  -1.454  -4.344
  188   HG21  THR  25          HG21      THR  25  -3.796  -2.204  -2.177
  189   HG22  THR  25          HG22      THR  25  -4.686  -0.667  -2.082
  190   HG23  THR  25          HG23      THR  25  -5.411  -2.153  -1.427
  191    H    SER  26           H        SER  26  -6.435   0.522  -4.921
  192    HA   SER  26           HA       SER  26  -6.552   2.748  -4.660
  193    HB2  SER  26           HB2      SER  26  -8.905   1.889  -2.960
  194    HB3  SER  26           HB3      SER  26  -8.590   3.582  -3.396
  195    HG   SER  26           HG       SER  26  -9.970   2.532  -4.886
  196    HA   PRO  27           HA       PRO  27  -4.202   4.315  -1.285
  197    HB2  PRO  27           HB2      PRO  27  -5.037   6.935  -1.198
  198    HB3  PRO  27           HB3      PRO  27  -3.919   6.268  -2.426
  199    HG2  PRO  27           HG2      PRO  27  -6.869   6.827  -2.649
  200    HG3  PRO  27           HG3      PRO  27  -5.582   7.088  -3.867
  201    HD2  PRO  27           HD2      PRO  27  -7.287   4.946  -3.908
  202    HD3  PRO  27           HD3      PRO  27  -5.613   4.837  -4.506
  203    H    ASP  28           H        ASP  28  -7.722   4.657  -1.215
  204    HA   ASP  28           HA       ASP  28  -7.969   5.706   1.436
  205    HB2  ASP  28           HB2      ASP  28  -9.774   4.045  -0.356
  206    HB3  ASP  28           HB3      ASP  28 -10.309   4.774   1.170
  207    H    THR  29           H        THR  29  -8.160   2.333   0.141
  208    HA   THR  29           HA       THR  29  -8.712   1.142   2.696
  209    HB   THR  29           HB       THR  29  -7.340  -0.129   0.310
  210   HG21  THR  29          HG21      THR  29  -8.499  -2.163   1.097
  211   HG22  THR  29          HG22      THR  29  -7.383  -1.527   2.320
  212   HG23  THR  29          HG23      THR  29  -9.138  -1.258   2.491
  213    H    LEU  30           H        LEU  30  -5.748   1.707   0.756
  214    HA   LEU  30           HA       LEU  30  -3.944   0.375   2.500
  215    HB2  LEU  30           HB2      LEU  30  -3.577   2.798   0.688
  216    HB3  LEU  30           HB3      LEU  30  -2.251   1.896   1.422
  217    HG   LEU  30           HG       LEU  30  -4.326   0.551  -0.348
  218   HD11  LEU  30          HD11      LEU  30  -1.669   1.822  -1.137
  219   HD12  LEU  30          HD12      LEU  30  -2.715   0.841  -2.200
  220   HD13  LEU  30          HD13      LEU  30  -3.300   2.396  -1.588
  221   HD21  LEU  30          HD21      LEU  30  -2.507  -1.095  -0.641
  222   HD22  LEU  30          HD22      LEU  30  -1.464  -0.138   0.434
  223   HD23  LEU  30          HD23      LEU  30  -2.927  -0.913   1.080
  224    H    ARG  31           H        ARG  31  -5.447   3.622   2.630
  225    HA   ARG  31           HA       ARG  31  -3.575   4.784   4.375
  226    HB2  ARG  31           HB2      ARG  31  -5.721   5.728   3.067
  227    HB3  ARG  31           HB3      ARG  31  -6.538   5.402   4.589
  228    HG2  ARG  31           HG2      ARG  31  -4.226   7.294   4.028
  229    HG3  ARG  31           HG3      ARG  31  -5.845   7.686   4.637
  230    HD2  ARG  31           HD2      ARG  31  -5.259   6.415   6.738
  231    HD3  ARG  31           HD3      ARG  31  -3.616   6.230   6.108
  232    HE   ARG  31           HE       ARG  31  -3.199   8.526   6.414
  233   HH11  ARG  31          HH11      ARG  31  -6.532   7.724   7.273
  234   HH12  ARG  31          HH12      ARG  31  -6.793   9.226   8.124
  235   HH21  ARG  31          HH21      ARG  31  -3.575  10.478   7.519
  236   HH22  ARG  31          HH22      ARG  31  -5.127  10.769   8.272
  237    H    ARG  32           H        ARG  32  -6.727   3.241   5.150
  238    HA   ARG  32           HA       ARG  32  -6.093   3.308   8.008
  239    HB2  ARG  32           HB2      ARG  32  -8.362   2.332   8.242
  240    HB3  ARG  32           HB3      ARG  32  -8.356   3.711   7.130
  241    HG2  ARG  32           HG2      ARG  32  -7.888   1.684   5.357
  242    HG3  ARG  32           HG3      ARG  32  -8.814   0.799   6.586
  243    HD2  ARG  32           HD2      ARG  32  -9.625   3.385   5.193
  244    HD3  ARG  32           HD3      ARG  32 -10.232   1.771   4.788
  245    HE   ARG  32           HE       ARG  32 -10.747   2.161   7.532
  246   HH11  ARG  32          HH11      ARG  32 -11.732   3.575   4.437
  247   HH12  ARG  32          HH12      ARG  32 -13.293   4.081   5.045
  248   HH21  ARG  32          HH21      ARG  32 -12.786   2.839   8.284
  249   HH22  ARG  32          HH22      ARG  32 -13.889   3.654   7.199
  250    H    VAL  33           H        VAL  33  -5.220   1.206   5.526
  251    HA   VAL  33           HA       VAL  33  -5.081  -1.188   7.259
  252    HB   VAL  33           HB       VAL  33  -4.472  -0.513   4.380
  253   HG11  VAL  33          HG11      VAL  33  -3.691  -3.075   5.826
  254   HG12  VAL  33          HG12      VAL  33  -3.760  -2.890   4.059
  255   HG13  VAL  33          HG13      VAL  33  -2.601  -1.933   4.995
  256   HG21  VAL  33          HG21      VAL  33  -6.788  -1.137   5.143
  257   HG22  VAL  33          HG22      VAL  33  -6.103  -2.318   3.998
  258   HG23  VAL  33          HG23      VAL  33  -6.146  -2.672   5.751
  259    H    PHE  34           H        PHE  34  -3.165   1.597   6.514
  260    HA   PHE  34           HA       PHE  34  -0.725   0.187   7.542
  261    HB2  PHE  34           HB2      PHE  34  -1.170   2.192   5.323
  262    HB3  PHE  34           HB3      PHE  34   0.351   2.194   6.187
  263    HD1  PHE  34           HD2      PHE  34   1.724   0.137   6.348
  264    HD2  PHE  34           HD1      PHE  34  -1.552   0.544   3.628
  265    HE1  PHE  34           HE2      PHE  34   2.627  -1.758   4.994
  266    HE2  PHE  34           HE1      PHE  34  -0.658  -1.310   2.245
  267    HZ   PHE  34           HZ       PHE  34   1.436  -2.483   2.945
  268    H    GLU  35           H        GLU  35  -2.634   3.254   7.557
  269    HA   GLU  35           HA       GLU  35  -0.801   4.430   9.338
  270    HB2  GLU  35           HB2      GLU  35  -2.306   6.254   9.511
  271    HB3  GLU  35           HB3      GLU  35  -2.648   5.548   7.928
  272    HG2  GLU  35           HG2      GLU  35  -4.774   5.919   8.758
  273    HG3  GLU  35           HG3      GLU  35  -4.502   4.216   9.143
  274    H    LYS  36           H        LYS  36  -3.119   1.967   9.734
  275    HA   LYS  36           HA       LYS  36  -4.109   2.419  12.326
  276    HB2  LYS  36           HB2      LYS  36  -4.666   0.048  12.287
  277    HB3  LYS  36           HB3      LYS  36  -4.998   0.779  10.701
  278    HG2  LYS  36           HG2      LYS  36  -2.685  -0.078   9.980
  279    HG3  LYS  36           HG3      LYS  36  -2.649  -0.986  11.503
  280    HD2  LYS  36           HD2      LYS  36  -4.565  -1.319   9.184
  281    HD3  LYS  36           HD3      LYS  36  -3.390  -2.493   9.812
  282    HE2  LYS  36           HE2      LYS  36  -4.721  -2.462  11.979
  283    HE3  LYS  36           HE3      LYS  36  -5.937  -1.485  11.121
  284    HZ1  LYS  36           HZ1      LYS  36  -5.057  -4.179  10.330
  285    HZ2  LYS  36           HZ2      LYS  36  -6.482  -3.819  11.074
  286    HZ3  LYS  36           HZ3      LYS  36  -6.191  -3.276   9.555
  287    H    TYR  37           H        TYR  37  -1.028   1.043  11.212
  288    HA   TYR  37           HA       TYR  37  -0.358   0.012  13.799
  289    HB2  TYR  37           HB2      TYR  37   1.350   0.644  11.360
  290    HB3  TYR  37           HB3      TYR  37   1.914  -0.253  12.774
  291    HD1  TYR  37           HD1      TYR  37   1.020  -2.475  13.318
  292    HD2  TYR  37           HD2      TYR  37  -0.135  -0.412   9.726
  293    HE1  TYR  37           HE1      TYR  37   0.123  -4.594  12.399
  294    HE2  TYR  37           HE2      TYR  37  -1.008  -2.517   8.785
  295    HH   TYR  37           HH       TYR  37  -1.392  -4.754   9.143
  296    H    GLY  38           H        GLY  38  -0.157   3.133  12.262
  297    HA2  GLY  38           HA2      GLY  38   0.516   4.411  14.738
  298    HA3  GLY  38           HA3      GLY  38   1.930   4.384  13.655
  299    H    ARG  39           H        ARG  39   1.400   5.115  11.301
  300    HA   ARG  39           HA       ARG  39  -0.868   6.809  10.857
  301    HB2  ARG  39           HB2      ARG  39   0.882   8.099  12.460
  302    HB3  ARG  39           HB3      ARG  39   1.727   8.350  10.926
  303    HG2  ARG  39           HG2      ARG  39   0.295  10.252  11.446
  304    HG3  ARG  39           HG3      ARG  39  -0.302   9.439   9.988
  305    HD2  ARG  39           HD2      ARG  39  -2.044   8.329  11.258
  306    HD3  ARG  39           HD3      ARG  39  -1.350   8.896  12.789
  307    HE   ARG  39           HE       ARG  39  -1.827  11.253  11.592
  308   HH11  ARG  39          HH11      ARG  39  -3.922   8.393  11.806
  309   HH12  ARG  39          HH12      ARG  39  -5.387   9.330  11.823
  310   HH21  ARG  39          HH21      ARG  39  -3.752  12.433  11.572
  311   HH22  ARG  39          HH22      ARG  39  -5.298  11.619  11.669
  312    H    VAL  40           H        VAL  40  -0.635   8.038   8.803
  313    HA   VAL  40           HA       VAL  40   1.398   6.864   6.973
  314    HB   VAL  40           HB       VAL  40  -1.604   7.119   6.601
  315   HG11  VAL  40          HG11      VAL  40  -0.615   8.044   4.552
  316   HG12  VAL  40          HG12      VAL  40   0.532   6.682   4.476
  317   HG13  VAL  40          HG13      VAL  40  -1.210   6.393   4.259
  318   HG21  VAL  40          HG21      VAL  40  -1.530   4.801   6.116
  319   HG22  VAL  40          HG22      VAL  40   0.217   4.836   5.807
  320   HG23  VAL  40          HG23      VAL  40  -0.370   4.983   7.473
  321    H    GLY  41           H        GLY  41   2.692   8.583   6.914
  322    HA2  GLY  41           HA2      GLY  41   1.977  11.312   6.887
  323    HA3  GLY  41           HA3      GLY  41   3.487  10.622   6.259
  324    H    ASP  42           H        ASP  42   2.030   8.913   4.262
  325    HA   ASP  42           HA       ASP  42   0.729  10.781   2.418
  326    HB2  ASP  42           HB2      ASP  42   3.545   9.704   2.073
  327    HB3  ASP  42           HB3      ASP  42   2.539  10.030   0.664
  328    H    VAL  43           H        VAL  43  -0.489   9.638   0.906
  329    HA   VAL  43           HA       VAL  43   0.089   6.796   0.466
  330    HB   VAL  43           HB       VAL  43  -1.574   7.338   2.515
  331   HG11  VAL  43          HG11      VAL  43  -3.491   6.978   0.201
  332   HG12  VAL  43          HG12      VAL  43  -3.893   6.980   1.921
  333   HG13  VAL  43          HG13      VAL  43  -3.297   8.471   1.169
  334   HG21  VAL  43          HG21      VAL  43  -1.693   5.017   0.607
  335   HG22  VAL  43          HG22      VAL  43  -0.814   5.180   2.164
  336   HG23  VAL  43          HG23      VAL  43  -2.571   5.078   2.153
  337    H    TYR  44           H        TYR  44   0.152   6.691  -1.714
  338    HA   TYR  44           HA       TYR  44  -2.179   7.683  -3.193
  339    HB2  TYR  44           HB2      TYR  44  -1.197   9.277  -4.504
  340    HB3  TYR  44           HB3      TYR  44  -0.449   9.617  -2.949
  341    HD1  TYR  44           HD1      TYR  44  -0.003   8.349  -6.356
  342    HD2  TYR  44           HD2      TYR  44   1.975   9.124  -2.618
  343    HE1  TYR  44           HE1      TYR  44   2.170   8.164  -7.491
  344    HE2  TYR  44           HE2      TYR  44   4.185   8.962  -3.757
  345    HH   TYR  44           HH       TYR  44   4.473   8.296  -7.255
  346    H    ILE  45           H        ILE  45  -1.998   7.179  -5.568
  347    HA   ILE  45           HA       ILE  45  -0.429   4.682  -5.976
  348    HB   ILE  45           HB       ILE  45  -3.324   5.295  -6.615
  349   HG12  ILE  45          HG12      ILE  45  -3.704   3.042  -5.705
  350   HG13  ILE  45          HG13      ILE  45  -1.972   2.864  -5.371
  351   HG21  ILE  45          HG21      ILE  45  -3.312   3.192  -7.949
  352   HG22  ILE  45          HG22      ILE  45  -2.312   4.461  -8.668
  353   HG23  ILE  45          HG23      ILE  45  -1.538   3.121  -7.789
  354   HD11  ILE  45          HD11      ILE  45  -3.609   5.107  -4.158
  355   HD12  ILE  45          HD12      ILE  45  -3.541   3.487  -3.427
  356   HD13  ILE  45          HD13      ILE  45  -2.054   4.428  -3.591
  357    HA   PRO  46           HA       PRO  46   0.994   7.307  -9.404
  358    HB2  PRO  46           HB2      PRO  46   3.068   5.714 -10.166
  359    HB3  PRO  46           HB3      PRO  46   3.121   6.735  -8.705
  360    HG2  PRO  46           HG2      PRO  46   2.435   3.796  -8.911
  361    HG3  PRO  46           HG3      PRO  46   3.556   4.609  -7.744
  362    HD2  PRO  46           HD2      PRO  46   0.992   3.930  -7.127
  363    HD3  PRO  46           HD3      PRO  46   1.778   5.401  -6.468
  364    H    ARG  47           H        ARG  47  -1.329   5.587  -9.736
  365    HA   ARG  47           HA       ARG  47  -0.970   3.796 -11.950
  366    HB2  ARG  47           HB2      ARG  47  -3.399   3.751 -12.093
  367    HB3  ARG  47           HB3      ARG  47  -2.867   3.578 -10.415
  368    HG2  ARG  47           HG2      ARG  47  -3.360   6.011 -10.082
  369    HG3  ARG  47           HG3      ARG  47  -3.905   6.087 -11.791
  370    HD2  ARG  47           HD2      ARG  47  -5.115   4.234  -9.712
  371    HD3  ARG  47           HD3      ARG  47  -5.753   5.843 -10.094
  372    HE   ARG  47           HE       ARG  47  -5.528   4.570 -12.552
  373   HH11  ARG  47          HH11      ARG  47  -7.279   3.979  -9.530
  374   HH12  ARG  47          HH12      ARG  47  -8.576   3.118 -10.329
  375   HH21  ARG  47          HH21      ARG  47  -7.195   3.448 -13.539
  376   HH22  ARG  47          HH22      ARG  47  -8.550   2.830 -12.611
  377    H    ASP  48           H        ASP  48  -2.988   4.405 -13.706
  378    HA   ASP  48           HA       ASP  48  -1.643   5.759 -15.721
  379    HB2  ASP  48           HB2      ASP  48  -3.604   5.378 -16.969
  380    HB3  ASP  48           HB3      ASP  48  -3.588   4.065 -15.775
  381    H    ARG  49           H        ARG  49  -2.910   7.445 -17.096
  382    HA   ARG  49           HA       ARG  49  -4.218   9.563 -15.531
  383    HB2  ARG  49           HB2      ARG  49  -1.805  10.120 -15.544
  384    HB3  ARG  49           HB3      ARG  49  -1.763   9.996 -17.297
  385    HG2  ARG  49           HG2      ARG  49  -1.841  12.346 -16.446
  386    HG3  ARG  49           HG3      ARG  49  -3.154  11.960 -17.551
  387    HD2  ARG  49           HD2      ARG  49  -4.675  11.601 -15.587
  388    HD3  ARG  49           HD3      ARG  49  -3.327  11.990 -14.502
  389    HE   ARG  49           HE       ARG  49  -3.635  14.238 -14.958
  390   HH11  ARG  49          HH11      ARG  49  -5.340  12.335 -17.406
  391   HH12  ARG  49          HH12      ARG  49  -6.200  13.712 -18.041
  392   HH21  ARG  49          HH21      ARG  49  -4.730  16.028 -15.843
  393   HH22  ARG  49          HH22      ARG  49  -5.824  15.804 -17.185
  394    H    TYR  50           H        TYR  50  -4.340   7.454 -18.053
  395    HA   TYR  50           HA       TYR  50  -6.249   9.098 -19.543
  396    HB2  TYR  50           HB2      TYR  50  -5.024   8.638 -21.691
  397    HB3  TYR  50           HB3      TYR  50  -4.241   9.793 -20.610
  398    HD1  TYR  50           HD2      TYR  50  -4.052   6.384 -22.040
  399    HD2  TYR  50           HD1      TYR  50  -2.120   9.317 -19.558
  400    HE1  TYR  50           HE2      TYR  50  -1.955   5.066 -22.124
  401    HE2  TYR  50           HE1      TYR  50  -0.012   8.006 -19.642
  402    HH   TYR  50           HH       TYR  50   1.041   6.141 -20.482
  403    H    THR  51           H        THR  51  -6.030   6.398 -17.961
  404    HA   THR  51           HA       THR  51  -7.465   4.813 -20.019
  405    HB   THR  51           HB       THR  51  -6.357   2.786 -19.417
  406   HG21  THR  51          HG21      THR  51  -4.108   3.171 -20.249
  407   HG22  THR  51          HG22      THR  51  -5.243   4.205 -21.131
  408   HG23  THR  51          HG23      THR  51  -4.215   4.894 -19.843
  409    H    LYS  52           H        LYS  52  -7.830   2.555 -18.292
  410    HA   LYS  52           HA       LYS  52  -9.515   3.701 -16.120
  411    HB2  LYS  52           HB2      LYS  52 -10.333   1.568 -18.131
  412    HB3  LYS  52           HB3      LYS  52 -11.234   2.017 -16.676
  413    HG2  LYS  52           HG2      LYS  52 -12.352   3.250 -18.244
  414    HG3  LYS  52           HG3      LYS  52 -11.180   4.444 -17.667
  415    HD2  LYS  52           HD2      LYS  52  -9.742   3.959 -19.635
  416    HD3  LYS  52           HD3      LYS  52 -10.898   2.717 -20.167
  417    HE2  LYS  52           HE2      LYS  52 -12.667   4.448 -20.325
  418    HE3  LYS  52           HE3      LYS  52 -11.506   5.682 -19.824
  419    HZ1  LYS  52           HZ1      LYS  52 -11.295   4.032 -22.258
  420    HZ2  LYS  52           HZ2      LYS  52 -11.753   5.611 -22.201
  421    HZ3  LYS  52           HZ3      LYS  52 -10.223   5.184 -21.792
  422    H    GLU  53           H        GLU  53  -6.797   2.411 -16.152
  423    HA   GLU  53           HA       GLU  53  -7.389   0.303 -14.161
  424    HB2  GLU  53           HB2      GLU  53  -5.826  -1.250 -15.209
  425    HB3  GLU  53           HB3      GLU  53  -7.146  -0.867 -16.319
  426    HG2  GLU  53           HG2      GLU  53  -5.702   0.758 -17.500
  427    HG3  GLU  53           HG3      GLU  53  -4.373   0.383 -16.387
  428    H    SER  54           H        SER  54  -4.888  -0.514 -13.491
  429    HA   SER  54           HA       SER  54  -3.476   2.043 -12.850
  430    HB2  SER  54           HB2      SER  54  -4.021  -0.283 -10.976
  431    HB3  SER  54           HB3      SER  54  -3.110   1.193 -10.583
  432    HG   SER  54           HG       SER  54  -5.298   1.305  -9.917
  433    H    ARG  55           H        ARG  55  -1.214   1.696 -12.125
  434    HA   ARG  55           HA       ARG  55   0.169   0.024 -14.025
  435    HB2  ARG  55           HB2      ARG  55   1.116   1.672 -11.647
  436    HB3  ARG  55           HB3      ARG  55   2.199   0.896 -12.821
  437    HG2  ARG  55           HG2      ARG  55   0.056   2.932 -13.568
  438    HG3  ARG  55           HG3      ARG  55   1.754   3.340 -13.273
  439    HD2  ARG  55           HD2      ARG  55   2.450   1.828 -15.085
  440    HD3  ARG  55           HD3      ARG  55   0.753   1.394 -15.386
  441    HE   ARG  55           HE       ARG  55   1.337   4.264 -15.514
  442   HH11  ARG  55          HH11      ARG  55   1.086   1.235 -17.327
  443   HH12  ARG  55          HH12      ARG  55   0.822   2.036 -18.857
  444   HH21  ARG  55          HH21      ARG  55   1.000   5.277 -17.527
  445   HH22  ARG  55          HH22      ARG  55   0.778   4.310 -18.966
  446    H    GLY  56           H        GLY  56  -1.054  -0.577 -10.863
  447    HA2  GLY  56           HA2      GLY  56  -1.216  -2.870 -10.150
  448    HA3  GLY  56           HA3      GLY  56   0.335  -3.215 -10.923
  449    H    PHE  57           H        PHE  57   0.494  -0.233  -9.216
  450    HA   PHE  57           HA       PHE  57   1.209  -1.441  -6.622
  451    HB2  PHE  57           HB2      PHE  57   3.439  -0.773  -6.628
  452    HB3  PHE  57           HB3      PHE  57   3.216  -1.644  -8.149
  453    HD1  PHE  57           HD2      PHE  57   2.637  -0.054 -10.249
  454    HD2  PHE  57           HD1      PHE  57   4.532   1.231  -6.609
  455    HE1  PHE  57           HE2      PHE  57   3.605   1.901 -11.436
  456    HE2  PHE  57           HE1      PHE  57   5.520   3.175  -7.808
  457    HZ   PHE  57           HZ       PHE  57   5.011   3.533 -10.206
  458    H    ALA  58           H        ALA  58   1.642   0.123  -5.000
  459    HA   ALA  58           HA       ALA  58   0.361   2.757  -5.527
  460    HB1  ALA  58           HB1      ALA  58   0.471   1.035  -3.011
  461    HB2  ALA  58           HB2      ALA  58  -0.256   2.658  -3.110
  462    HB3  ALA  58           HB3      ALA  58  -0.958   1.339  -4.034
  463    H    PHE  59           H        PHE  59   1.110   3.873  -3.084
  464    HA   PHE  59           HA       PHE  59   3.968   3.728  -2.590
  465    HB2  PHE  59           HB2      PHE  59   3.193   5.223  -4.816
  466    HB3  PHE  59           HB3      PHE  59   3.132   6.432  -3.552
  467    HD1  PHE  59           HD1      PHE  59   5.455   5.952  -1.859
  468    HD2  PHE  59           HD2      PHE  59   5.030   5.375  -6.101
  469    HE1  PHE  59           HE1      PHE  59   7.896   6.285  -2.155
  470    HE2  PHE  59           HE2      PHE  59   7.464   5.680  -6.392
  471    HZ   PHE  59           HZ       PHE  59   8.904   6.145  -4.423
  472    H    VAL  60           H        VAL  60   2.409   3.041  -0.771
  473    HA   VAL  60           HA       VAL  60   1.587   5.485   0.643
  474    HB   VAL  60           HB       VAL  60   0.909   4.380   2.353
  475   HG11  VAL  60          HG11      VAL  60  -0.049   2.167   1.899
  476   HG12  VAL  60          HG12      VAL  60  -0.331   3.348   0.608
  477   HG13  VAL  60          HG13      VAL  60   0.873   2.079   0.375
  478   HG21  VAL  60          HG21      VAL  60   2.859   3.724   3.381
  479   HG22  VAL  60          HG22      VAL  60   1.793   2.332   3.401
  480   HG23  VAL  60          HG23      VAL  60   3.157   2.411   2.230
  481    H    ARG  61           H        ARG  61   2.864   6.783   1.938
  482    HA   ARG  61           HA       ARG  61   5.619   5.821   2.500
  483    HB2  ARG  61           HB2      ARG  61   6.143   7.166   0.745
  484    HB3  ARG  61           HB3      ARG  61   4.753   8.262   0.989
  485    HG2  ARG  61           HG2      ARG  61   5.869   9.236   2.964
  486    HG3  ARG  61           HG3      ARG  61   7.225   8.095   2.759
  487    HD2  ARG  61           HD2      ARG  61   7.886  10.180   1.765
  488    HD3  ARG  61           HD3      ARG  61   7.555   9.021   0.455
  489    HE   ARG  61           HE       ARG  61   5.591  11.113   1.353
  490   HH11  ARG  61          HH11      ARG  61   7.220   9.350  -1.253
  491   HH12  ARG  61          HH12      ARG  61   6.366  10.221  -2.510
  492   HH21  ARG  61          HH21      ARG  61   4.524  12.215  -0.300
  493   HH22  ARG  61          HH22      ARG  61   4.842  11.823  -1.975
  494    H    PHE  62           H        PHE  62   6.391   6.074   4.253
  495    HA   PHE  62           HA       PHE  62   4.652   7.342   6.345
  496    HB2  PHE  62           HB2      PHE  62   6.686   5.134   6.445
  497    HB3  PHE  62           HB3      PHE  62   6.200   6.029   7.882
  498    HD1  PHE  62           HD1      PHE  62   3.891   5.149   5.040
  499    HD2  PHE  62           HD2      PHE  62   5.118   4.375   9.097
  500    HE1  PHE  62           HE1      PHE  62   1.839   3.865   5.389
  501    HE2  PHE  62           HE2      PHE  62   3.072   3.003   9.430
  502    HZ   PHE  62           HZ       PHE  62   1.452   2.741   7.619
  503    H    HIS  63           H        HIS  63   5.511   8.688   7.875
  504    HA   HIS  63           HA       HIS  63   7.795  10.341   6.996
  505    HB2  HIS  63           HB2      HIS  63   6.786  11.895   8.725
  506    HB3  HIS  63           HB3      HIS  63   5.708  11.483   7.384
  507    HD2  HIS  63           HD2      HIS  63   3.423  11.803   8.801
  508    HE1  HIS  63           HE1      HIS  63   4.082   8.618  11.552
  509    HE2  HIS  63           HE2      HIS  63   2.382  10.351  10.705
  510    H    ASP  64           H        ASP  64   7.268   7.717   9.020
  511    HA   ASP  64           HA       ASP  64   9.628   8.331  10.678
  512    HB2  ASP  64           HB2      ASP  64   7.617   9.154  11.902
  513    HB3  ASP  64           HB3      ASP  64   6.945   7.522  11.847
  514    H    LYS  65           H        LYS  65  10.916   6.560  10.413
  515    HA   LYS  65           HA       LYS  65  10.053   4.196   9.159
  516    HB2  LYS  65           HB2      LYS  65  12.242   3.328   9.682
  517    HB3  LYS  65           HB3      LYS  65  12.377   5.029   9.213
  518    HG2  LYS  65           HG2      LYS  65  12.361   5.615  11.700
  519    HG3  LYS  65           HG3      LYS  65  12.484   3.875  12.032
  520    HD2  LYS  65           HD2      LYS  65  14.464   5.566  10.459
  521    HD3  LYS  65           HD3      LYS  65  14.716   4.895  12.079
  522    HE2  LYS  65           HE2      LYS  65  14.505   2.608  11.180
  523    HE3  LYS  65           HE3      LYS  65  14.245   3.272   9.554
  524    HZ1  LYS  65           HZ1      LYS  65  16.404   4.241   9.642
  525    HZ2  LYS  65           HZ2      LYS  65  16.681   3.665  11.168
  526    HZ3  LYS  65           HZ3      LYS  65  16.537   2.630   9.899
  527    H    ARG  66           H        ARG  66   9.872   5.078  12.573
  528    HA   ARG  66           HA       ARG  66   9.874   2.378  13.591
  529    HB2  ARG  66           HB2      ARG  66   8.627   4.915  14.717
  530    HB3  ARG  66           HB3      ARG  66   8.914   3.419  15.621
  531    HG2  ARG  66           HG2      ARG  66  11.037   5.220  14.391
  532    HG3  ARG  66           HG3      ARG  66  10.671   5.028  16.114
  533    HD2  ARG  66           HD2      ARG  66  11.299   2.604  15.930
  534    HD3  ARG  66           HD3      ARG  66  11.759   2.894  14.238
  535    HE   ARG  66           HE       ARG  66  13.061   4.669  16.165
  536   HH11  ARG  66          HH11      ARG  66  13.241   1.602  14.402
  537   HH12  ARG  66          HH12      ARG  66  14.965   1.449  14.612
  538   HH21  ARG  66          HH21      ARG  66  15.316   4.459  16.393
  539   HH22  ARG  66          HH22      ARG  66  16.149   3.083  15.711
  540    H    ASP  67           H        ASP  67   7.226   4.649  12.721
  541    HA   ASP  67           HA       ASP  67   5.138   2.744  13.257
  542    HB2  ASP  67           HB2      ASP  67   5.208   5.171  11.411
  543    HB3  ASP  67           HB3      ASP  67   3.751   4.275  11.865
  544    H    ALA  68           H        ALA  68   7.308   3.354  10.539
  545    HA   ALA  68           HA       ALA  68   5.788   1.810   8.626
  546    HB1  ALA  68           HB1      ALA  68   7.256   3.658   7.981
  547    HB2  ALA  68           HB2      ALA  68   8.657   2.821   8.696
  548    HB3  ALA  68           HB3      ALA  68   7.853   2.124   7.278
  549    H    GLU  69           H        GLU  69   8.397   1.133  10.991
  550    HA   GLU  69           HA       GLU  69   9.274  -1.344   9.916
  551    HB2  GLU  69           HB2      GLU  69   9.296   0.009  12.623
  552    HB3  GLU  69           HB3      GLU  69   9.644  -1.721  12.521
  553    HG2  GLU  69           HG2      GLU  69  11.407  -1.247  10.828
  554    HG3  GLU  69           HG3      GLU  69  11.108   0.482  10.987
  555    H    ASP  70           H        ASP  70   6.770  -0.595  12.431
  556    HA   ASP  70           HA       ASP  70   6.215  -3.401  12.788
  557    HB2  ASP  70           HB2      ASP  70   4.458  -1.014  13.470
  558    HB3  ASP  70           HB3      ASP  70   4.318  -2.667  14.091
  559    H    ALA  71           H        ALA  71   4.650  -0.802  10.857
  560    HA   ALA  71           HA       ALA  71   2.438  -2.345   9.978
  561    HB1  ALA  71           HB1      ALA  71   2.657   0.129   9.726
  562    HB2  ALA  71           HB2      ALA  71   3.917  -0.119   8.502
  563    HB3  ALA  71           HB3      ALA  71   2.250  -0.678   8.204
  564    H    MET  72           H        MET  72   5.698  -1.862   8.507
  565    HA   MET  72           HA       MET  72   5.275  -3.514   6.222
  566    HB2  MET  72           HB2      MET  72   7.081  -1.939   6.336
  567    HB3  MET  72           HB3      MET  72   7.702  -2.653   7.835
  568    HG2  MET  72           HG2      MET  72   8.559  -4.534   6.766
  569    HG3  MET  72           HG3      MET  72   7.574  -4.307   5.317
  570    HE1  MET  72           HE1      MET  72   9.180  -1.028   6.737
  571    HE2  MET  72           HE2      MET  72  10.111  -2.317   7.542
  572    HE3  MET  72           HE3      MET  72  10.887  -1.240   6.348
  573    H    ASP  73           H        ASP  73   6.611  -4.233   9.483
  574    HA   ASP  73           HA       ASP  73   7.127  -6.979   8.949
  575    HB2  ASP  73           HB2      ASP  73   8.149  -5.667  10.784
  576    HB3  ASP  73           HB3      ASP  73   6.569  -5.544  11.574
  577    H    ALA  74           H        ALA  74   4.167  -5.350   9.127
  578    HA   ALA  74           HA       ALA  74   2.754  -7.892   9.789
  579    HB1  ALA  74           HB1      ALA  74   2.026  -5.034  10.522
  580    HB2  ALA  74           HB2      ALA  74   1.019  -6.469  10.858
  581    HB3  ALA  74           HB3      ALA  74   2.606  -6.283  11.641
  582    H    MET  75           H        MET  75   3.514  -6.036   7.203
  583    HA   MET  75           HA       MET  75   0.839  -6.493   5.970
  584    HB2  MET  75           HB2      MET  75   2.510  -3.966   5.926
  585    HB3  MET  75           HB3      MET  75   1.330  -4.317   4.679
  586    HG2  MET  75           HG2      MET  75   0.706  -4.143   7.649
  587    HG3  MET  75           HG3      MET  75   0.357  -2.914   6.435
  588    HE1  MET  75           HE1      MET  75  -0.407  -5.201   4.029
  589    HE2  MET  75           HE2      MET  75  -2.160  -4.897   4.089
  590    HE3  MET  75           HE3      MET  75  -1.011  -3.538   4.211
  591    H    ASP  76           H        ASP  76   4.363  -6.701   5.579
  592    HA   ASP  76           HA       ASP  76   4.319  -6.717   2.722
  593    HB2  ASP  76           HB2      ASP  76   6.362  -6.434   4.119
  594    HB3  ASP  76           HB3      ASP  76   6.250  -8.135   4.594
  595    H    GLY  77           H        GLY  77   3.237  -8.098   1.459
  596    HA2  GLY  77           HA2      GLY  77   2.378 -10.040   0.580
  597    HA3  GLY  77           HA3      GLY  77   3.491 -10.954   1.621
  598    H    ALA  78           H        ALA  78   1.066  -8.622   2.708
  599    HA   ALA  78           HA       ALA  78  -0.095 -10.700   4.442
  600    HB1  ALA  78           HB1      ALA  78  -0.491  -7.687   4.354
  601    HB2  ALA  78           HB2      ALA  78  -1.136  -8.781   5.600
  602    HB3  ALA  78           HB3      ALA  78   0.620  -8.575   5.429
  603    H    VAL  79           H        VAL  79  -0.711  -9.773   1.384
  604    HA   VAL  79           HA       VAL  79  -2.584  -9.483   0.072
  605    HB   VAL  79           HB       VAL  79  -2.172 -11.767  -0.192
  606   HG11  VAL  79          HG11      VAL  79  -3.526 -12.278   2.477
  607   HG12  VAL  79          HG12      VAL  79  -2.965 -13.520   1.331
  608   HG13  VAL  79          HG13      VAL  79  -1.785 -12.435   2.092
  609   HG21  VAL  79          HG21      VAL  79  -4.180 -12.710  -0.723
  610   HG22  VAL  79          HG22      VAL  79  -5.094 -11.716   0.433
  611   HG23  VAL  79          HG23      VAL  79  -4.290 -10.951  -0.977
  612    H    LEU  80           H        LEU  80  -3.280  -7.580   1.249
  613    HA   LEU  80           HA       LEU  80  -5.576  -7.826   2.974
  614    HB2  LEU  80           HB2      LEU  80  -5.802  -5.407   2.747
  615    HB3  LEU  80           HB3      LEU  80  -4.142  -5.887   3.097
  616    HG   LEU  80           HG       LEU  80  -3.620  -5.666   0.651
  617   HD11  LEU  80          HD11      LEU  80  -5.795  -5.727  -0.421
  618   HD12  LEU  80          HD12      LEU  80  -6.374  -4.359   0.568
  619   HD13  LEU  80          HD13      LEU  80  -5.109  -4.116  -0.657
  620   HD21  LEU  80          HD21      LEU  80  -3.055  -3.920   2.292
  621   HD22  LEU  80          HD22      LEU  80  -3.507  -3.198   0.735
  622   HD23  LEU  80          HD23      LEU  80  -4.671  -3.197   2.081
  623    H    ASP  81           H        ASP  81  -5.398  -8.586  -0.277
  624    HA   ASP  81           HA       ASP  81  -8.330  -8.122  -0.503
  625    HB2  ASP  81           HB2      ASP  81  -7.297  -6.336  -1.801
  626    HB3  ASP  81           HB3      ASP  81  -6.290  -7.504  -2.667
  627    H    GLY  82           H        GLY  82  -5.561  -9.682  -2.254
  628    HA2  GLY  82           HA2      GLY  82  -6.047 -12.262  -1.678
  629    HA3  GLY  82           HA3      GLY  82  -7.267 -11.984  -2.955
  630    H    ARG  83           H        ARG  83  -4.078 -10.453  -2.807
  631    HA   ARG  83           HA       ARG  83  -2.917 -12.464  -4.694
  632    HB2  ARG  83           HB2      ARG  83  -1.752 -10.468  -5.780
  633    HB3  ARG  83           HB3      ARG  83  -3.446 -10.741  -6.211
  634    HG2  ARG  83           HG2      ARG  83  -4.213  -8.897  -4.950
  635    HG3  ARG  83           HG3      ARG  83  -2.722  -8.779  -4.004
  636    HD2  ARG  83           HD2      ARG  83  -2.856  -7.014  -5.719
  637    HD3  ARG  83           HD3      ARG  83  -1.473  -8.069  -5.966
  638    HE   ARG  83           HE       ARG  83  -4.024  -8.531  -7.466
  639   HH11  ARG  83          HH11      ARG  83  -0.559  -7.793  -7.505
  640   HH12  ARG  83          HH12      ARG  83  -0.409  -8.046  -9.227
  641   HH21  ARG  83          HH21      ARG  83  -3.796  -8.833  -9.710
  642   HH22  ARG  83          HH22      ARG  83  -2.238  -8.627 -10.467
  643    H    GLU  84           H        GLU  84  -2.296  -9.711  -2.545
  644    HA   GLU  84           HA       GLU  84  -0.802 -10.373  -0.591
  645    HB2  GLU  84           HB2      GLU  84   0.799 -11.123  -2.978
  646    HB3  GLU  84           HB3      GLU  84   1.656 -10.232  -1.706
  647    HG2  GLU  84           HG2      GLU  84   1.057 -11.780  -0.007
  648    HG3  GLU  84           HG3      GLU  84  -0.097 -12.613  -1.034
  649    H    LEU  85           H        LEU  85   0.815  -8.741   0.093
  650    HA   LEU  85           HA       LEU  85   0.636  -6.197  -1.478
  651    HB2  LEU  85           HB2      LEU  85  -0.430  -6.812   1.070
  652    HB3  LEU  85           HB3      LEU  85   1.063  -5.953   1.425
  653    HG   LEU  85           HG       LEU  85  -0.987  -4.532   1.323
  654   HD11  LEU  85          HD11      LEU  85   1.044  -3.864  -0.826
  655   HD12  LEU  85          HD12      LEU  85  -0.005  -2.726   0.037
  656   HD13  LEU  85          HD13      LEU  85   1.272  -3.599   0.924
  657   HD21  LEU  85          HD21      LEU  85  -2.021  -5.808  -0.638
  658   HD22  LEU  85          HD22      LEU  85  -2.070  -4.028  -0.769
  659   HD23  LEU  85          HD23      LEU  85  -0.878  -4.951  -1.693
  660    H    ARG  86           H        ARG  86   2.543  -4.713  -0.860
  661    HA   ARG  86           HA       ARG  86   4.958  -6.281  -0.110
  662    HB2  ARG  86           HB2      ARG  86   4.619  -4.550  -2.587
  663    HB3  ARG  86           HB3      ARG  86   6.175  -5.126  -1.982
  664    HG2  ARG  86           HG2      ARG  86   3.874  -6.916  -2.872
  665    HG3  ARG  86           HG3      ARG  86   5.310  -6.523  -3.831
  666    HD2  ARG  86           HD2      ARG  86   6.740  -7.485  -2.010
  667    HD3  ARG  86           HD3      ARG  86   5.275  -7.969  -1.144
  668    HE   ARG  86           HE       ARG  86   6.172  -9.030  -3.794
  669   HH11  ARG  86          HH11      ARG  86   4.210  -9.336  -0.861
  670   HH12  ARG  86          HH12      ARG  86   3.788 -11.005  -1.203
  671   HH21  ARG  86          HH21      ARG  86   5.552 -11.222  -4.193
  672   HH22  ARG  86          HH22      ARG  86   4.487 -12.022  -3.053
  673    H    VAL  87           H        VAL  87   6.272  -5.184   1.201
  674    HA   VAL  87           HA       VAL  87   5.918  -2.240   1.389
  675    HB   VAL  87           HB       VAL  87   5.931  -4.080   3.816
  676   HG11  VAL  87          HG11      VAL  87   5.095  -1.954   4.887
  677   HG12  VAL  87          HG12      VAL  87   6.753  -1.876   4.240
  678   HG13  VAL  87          HG13      VAL  87   5.415  -1.111   3.358
  679   HG21  VAL  87          HG21      VAL  87   3.527  -3.530   4.055
  680   HG22  VAL  87          HG22      VAL  87   3.525  -2.895   2.393
  681   HG23  VAL  87          HG23      VAL  87   3.882  -4.606   2.703
  682    H    GLN  88           H        GLN  88   7.664  -1.121   1.778
  683    HA   GLN  88           HA       GLN  88  10.152  -2.145   2.868
  684    HB2  GLN  88           HB2      GLN  88  11.407  -1.880   0.706
  685    HB3  GLN  88           HB3      GLN  88  10.355  -3.306   0.771
  686    HG2  GLN  88           HG2      GLN  88   8.643  -2.167  -0.549
  687    HG3  GLN  88           HG3      GLN  88   9.573  -0.675  -0.542
  688   HE21  GLN  88          HE22      GLN  88   8.648  -2.277  -2.849
  689   HE22  GLN  88          HE21      GLN  88  10.090  -2.713  -3.739
  690    H    MET  89           H        MET  89  11.660  -0.516   3.181
  691    HA   MET  89           HA       MET  89  10.799   2.125   3.472
  692    HB2  MET  89           HB2      MET  89  13.544   0.896   3.160
  693    HB3  MET  89           HB3      MET  89  13.291   2.601   3.596
  694    HG2  MET  89           HG2      MET  89  11.948   0.327   5.084
  695    HG3  MET  89           HG3      MET  89  13.539   0.929   5.543
  696    HE1  MET  89           HE1      MET  89  11.977   0.928   7.841
  697    HE2  MET  89           HE2      MET  89  10.723   2.155   8.159
  698    HE3  MET  89           HE3      MET  89  10.410   0.846   6.995
  699    H    ALA  90           H        ALA  90  10.895   3.963   2.239
  700    HA   ALA  90           HA       ALA  90  11.084   3.632  -0.658
  701    HB1  ALA  90           HB1      ALA  90  10.446   6.049   1.082
  702    HB2  ALA  90           HB2      ALA  90  10.280   5.960  -0.686
  703    HB3  ALA  90           HB3      ALA  90   9.264   4.946   0.342
  704    H    ARG  91           H        ARG  91  13.349   4.233   1.782
  705    HA   ARG  91           HA       ARG  91  15.474   5.025   1.793
  706    HB2  ARG  91           HB2      ARG  91  15.575   3.274   0.072
  707    HB3  ARG  91           HB3      ARG  91  15.257   4.474  -1.185
  708    HG2  ARG  91           HG2      ARG  91  17.517   5.296   0.480
  709    HG3  ARG  91           HG3      ARG  91  17.762   3.660  -0.157
  710    HD2  ARG  91           HD2      ARG  91  17.303   4.407  -2.436
  711    HD3  ARG  91           HD3      ARG  91  16.925   6.036  -1.878
  712    HE   ARG  91           HE       ARG  91  19.578   4.844  -2.238
  713   HH11  ARG  91          HH11      ARG  91  17.736   7.404  -0.630
  714   HH12  ARG  91          HH12      ARG  91  19.127   8.445  -0.441
  715   HH21  ARG  91          HH21      ARG  91  21.370   6.215  -1.966
  716   HH22  ARG  91          HH22      ARG  91  21.189   7.763  -1.172
  717    H    TYR  92           H        TYR  92  13.389   7.047   1.613
  718    HA   TYR  92           HA       TYR  92  14.917   9.212   0.245
  719    HB2  TYR  92           HB2      TYR  92  11.933   8.926   0.652
  720    HB3  TYR  92           HB3      TYR  92  12.728  10.334  -0.065
  721    HD1  TYR  92           HD2      TYR  92  14.795   8.893  -1.769
  722    HD2  TYR  92           HD1      TYR  92  10.597   8.200  -1.144
  723    HE1  TYR  92           HE2      TYR  92  14.644   7.829  -4.006
  724    HE2  TYR  92           HE1      TYR  92  10.440   7.113  -3.363
  725    HH   TYR  92           HH       TYR  92  11.567   6.497  -5.272
  726    H    GLY  93           H        GLY  93  15.148   8.157   3.025
  727    HA2  GLY  93           HA2      GLY  93  15.064  10.788   4.321
  728    HA3  GLY  93           HA3      GLY  93  14.114   9.518   5.100
  729    H    ARG  94           H        ARG  94  16.010  10.539   6.627
  730    HA   ARG  94           HA       ARG  94  18.084   8.453   6.808
  731    HB2  ARG  94           HB2      ARG  94  19.016  10.236   5.334
  732    HB3  ARG  94           HB3      ARG  94  18.661  11.440   6.575
  733    HG2  ARG  94           HG2      ARG  94  20.985  10.956   6.715
  734    HG3  ARG  94           HG3      ARG  94  20.230  10.197   8.126
  735    HD2  ARG  94           HD2      ARG  94  20.296   8.009   6.973
  736    HD3  ARG  94           HD3      ARG  94  20.966   8.782   5.525
  737    HE   ARG  94           HE       ARG  94  22.649   9.432   7.706
  738   HH11  ARG  94          HH11      ARG  94  21.672   6.565   5.874
  739   HH12  ARG  94          HH12      ARG  94  23.204   5.759   6.093
  740   HH21  ARG  94          HH21      ARG  94  24.629   8.336   8.008
  741   HH22  ARG  94          HH22      ARG  94  24.869   6.755   7.315
  742    HA   PRO  95           HA       PRO  95  16.766   9.436  11.027
  743    HB2  PRO  95           HB2      PRO  95  18.092   7.440  12.331
  744    HB3  PRO  95           HB3      PRO  95  16.646   7.125  11.309
  745    HG2  PRO  95           HG2      PRO  95  19.570   6.883  10.529
  746    HG3  PRO  95           HG3      PRO  95  18.275   5.663  10.308
  747    HD2  PRO  95           HD2      PRO  95  19.015   7.355   8.316
  748    HD3  PRO  95           HD3      PRO  95  17.293   6.914   8.549
  749    HA   PRO  96           HA       PRO  96  19.956  11.888  12.850
  750    HB2  PRO  96           HB2      PRO  96  19.928   9.991  15.204
  751    HB3  PRO  96           HB3      PRO  96  19.958  11.789  15.206
  752    HG2  PRO  96           HG2      PRO  96  17.629  10.486  15.623
  753    HG3  PRO  96           HG3      PRO  96  17.663  11.886  14.497
  754    HD2  PRO  96           HD2      PRO  96  17.678   8.945  13.825
  755    HD3  PRO  96           HD3      PRO  96  16.783  10.283  13.046
  756    H    ASP  97           H        ASP  97  22.115  11.973  12.481
  757    HA   ASP  97           HA       ASP  97  23.814   9.615  12.883
  758    HB2  ASP  97           HB2      ASP  97  22.714   9.349  10.632
  759    HB3  ASP  97           HB3      ASP  97  23.454  10.874  10.135
  760    H    SER  98           H        SER  98  23.375  12.703  13.502
  761    HA   SER  98           HA       SER  98  26.257  13.327  13.457
  762    HB2  SER  98           HB2      SER  98  25.816  15.591  12.548
  763    HB3  SER  98           HB3      SER  98  25.372  14.322  11.389
  764    HG   SER  98           HG       SER  98  23.749  15.916  11.593
  765    H    HIS  99           H        HIS  99  23.543  12.929  15.221
  766    HA   HIS  99           HA       HIS  99  23.454  15.258  16.888
  767    HB2  HIS  99           HB2      HIS  99  22.132  13.785  18.360
  768    HB3  HIS  99           HB3      HIS  99  21.587  13.707  16.684
  769    HD2  HIS  99           HD2      HIS  99  22.773  11.513  19.497
  770    HE1  HIS  99           HE1      HIS  99  22.807   9.012  16.055
  771    HE2  HIS  99           HE2      HIS  99  22.985   9.064  18.591
  772    H    HIS 100           H        HIS 100  23.797  14.937  19.349
  773    HA   HIS 100           HA       HIS 100  26.168  13.352  20.056
  774    HB2  HIS 100           HB2      HIS 100  27.436  15.297  20.816
  775    HB3  HIS 100           HB3      HIS 100  27.145  15.377  19.076
  776    HD2  HIS 100           HD2      HIS 100  26.320  17.175  22.364
  777    HE1  HIS 100           HE1      HIS 100  24.603  19.517  19.255
  778    HE2  HIS 100           HE2      HIS 100  25.136  19.423  21.749
  779    H    SER 101           H        SER 101  26.755  13.912  22.447
  780    HA   SER 101           HA       SER 101  24.494  14.800  24.088
  781    HB2  SER 101           HB2      SER 101  24.436  12.664  25.363
  782    HB3  SER 101           HB3      SER 101  23.858  12.487  23.700
  783    HG   SER 101           HG       SER 101  26.486  11.894  24.609
  Start of MODEL   11
    1    H    MET   1           H1       MET   1   6.144 -25.629  13.936
    2    HA   MET   1           HA       MET   1   7.796 -24.036  14.602
    3    HB2  MET   1           HB2      MET   1   9.701 -25.989  13.260
    4    HB3  MET   1           HB3      MET   1  10.114 -24.342  13.759
    5    HG2  MET   1           HG2      MET   1   9.533 -24.882  16.091
    6    HG3  MET   1           HG3      MET   1   9.134 -26.538  15.617
    7    HE1  MET   1           HE1      MET   1  11.102 -25.840  17.992
    8    HE2  MET   1           HE2      MET   1  10.671 -27.492  17.480
    9    HE3  MET   1           HE3      MET   1  12.377 -27.046  17.713
   10    H    SER   2           H        SER   2   8.244 -22.302  13.200
   11    HA   SER   2           HA       SER   2   7.963 -22.720  10.294
   12    HB2  SER   2           HB2      SER   2   6.146 -20.866  11.888
   13    HB3  SER   2           HB3      SER   2   6.180 -21.041  10.124
   14    HG   SER   2           HG       SER   2   5.520 -23.205  10.400
   15    H    TYR   3           H        TYR   3   8.052 -20.430   9.216
   16    HA   TYR   3           HA       TYR   3   9.599 -18.447  10.731
   17    HB2  TYR   3           HB2      TYR   3  11.417 -18.413   9.197
   18    HB3  TYR   3           HB3      TYR   3  11.256 -20.071   9.774
   19    HD1  TYR   3           HD2      TYR   3  10.140 -21.793   8.249
   20    HD2  TYR   3           HD1      TYR   3  11.305 -17.880   6.898
   21    HE1  TYR   3           HE2      TYR   3  10.009 -22.569   5.901
   22    HE2  TYR   3           HE1      TYR   3  11.202 -18.649   4.548
   23    HH   TYR   3           HH       TYR   3  10.753 -20.411   3.138
   24    H    GLY   4           H        GLY   4  10.173 -16.643   8.985
   25    HA2  GLY   4           HA2      GLY   4   8.074 -16.288   6.947
   26    HA3  GLY   4           HA3      GLY   4   8.027 -15.167   8.325
   27    H    ARG   5           H        ARG   5   8.330 -13.849   6.110
   28    HA   ARG   5           HA       ARG   5  10.839 -13.744   4.841
   29    HB2  ARG   5           HB2      ARG   5   8.766 -11.561   5.282
   30    HB3  ARG   5           HB3      ARG   5  10.111 -11.488   4.119
   31    HG2  ARG   5           HG2      ARG   5   9.261 -13.543   3.018
   32    HG3  ARG   5           HG3      ARG   5   7.877 -13.568   4.133
   33    HD2  ARG   5           HD2      ARG   5   7.199 -11.329   3.343
   34    HD3  ARG   5           HD3      ARG   5   8.576 -11.316   2.221
   35    HE   ARG   5           HE       ARG   5   7.073 -13.669   1.732
   36   HH11  ARG   5          HH11      ARG   5   6.713 -10.170   1.435
   37   HH12  ARG   5          HH12      ARG   5   5.574 -10.277   0.109
   38   HH21  ARG   5          HH21      ARG   5   5.595 -13.785  -0.003
   39   HH22  ARG   5          HH22      ARG   5   4.915 -12.331  -0.685
   40    HA   PRO   6           HA       PRO   6  13.423 -11.910   7.882
   41    HB2  PRO   6           HB2      PRO   6  15.460 -10.928   6.366
   42    HB3  PRO   6           HB3      PRO   6  15.144 -12.687   6.516
   43    HG2  PRO   6           HG2      PRO   6  14.235 -10.818   4.303
   44    HG3  PRO   6           HG3      PRO   6  15.056 -12.411   4.139
   45    HD2  PRO   6           HD2      PRO   6  12.349 -12.170   3.952
   46    HD3  PRO   6           HD3      PRO   6  13.103 -13.586   4.736
   47    HA   PRO   7           HA       PRO   7  12.520  -7.555   8.100
   48    HB2  PRO   7           HB2      PRO   7  14.384  -6.698   9.894
   49    HB3  PRO   7           HB3      PRO   7  13.085  -7.850  10.356
   50    HG2  PRO   7           HG2      PRO   7  15.940  -8.481   9.541
   51    HG3  PRO   7           HG3      PRO   7  15.065  -9.062  10.992
   52    HD2  PRO   7           HD2      PRO   7  15.240 -10.546   8.706
   53    HD3  PRO   7           HD3      PRO   7  13.755 -10.552   9.708
   54    HA   PRO   8           HA       PRO   8  15.572  -5.374   5.570
   55    HB2  PRO   8           HB2      PRO   8  14.888  -2.804   5.929
   56    HB3  PRO   8           HB3      PRO   8  13.666  -3.963   5.335
   57    HG2  PRO   8           HG2      PRO   8  14.093  -3.047   8.193
   58    HG3  PRO   8           HG3      PRO   8  12.561  -3.050   7.255
   59    HD2  PRO   8           HD2      PRO   8  13.366  -5.075   8.942
   60    HD3  PRO   8           HD3      PRO   8  12.313  -5.359   7.502
   61    H    ASP   9           H        ASP   9  16.437  -2.689   6.685
   62    HA   ASP   9           HA       ASP   9  18.169  -3.499   8.954
   63    HB2  ASP   9           HB2      ASP   9  19.224  -2.517   6.274
   64    HB3  ASP   9           HB3      ASP   9  20.191  -2.708   7.740
   65    H    VAL  10           H        VAL  10  16.840  -0.994   6.842
   66    HA   VAL  10           HA       VAL  10  16.626   1.229   7.001
   67    HB   VAL  10           HB       VAL  10  15.547   2.024   8.996
   68   HG11  VAL  10          HG11      VAL  10  14.764  -0.856   8.382
   69   HG12  VAL  10          HG12      VAL  10  13.724   0.393   9.095
   70   HG13  VAL  10          HG13      VAL  10  14.316   0.571   7.427
   71   HG21  VAL  10          HG21      VAL  10  17.019   0.923  10.724
   72   HG22  VAL  10          HG22      VAL  10  15.278   0.696  11.011
   73   HG23  VAL  10          HG23      VAL  10  16.240  -0.626  10.334
   74    H    GLU  11           H        GLU  11  19.461   0.331   7.446
   75    HA   GLU  11           HA       GLU  11  20.620   2.077   9.408
   76    HB2  GLU  11           HB2      GLU  11  21.756   0.604   7.008
   77    HB3  GLU  11           HB3      GLU  11  22.746   1.479   8.197
   78    HG2  GLU  11           HG2      GLU  11  21.802   0.048  10.002
   79    HG3  GLU  11           HG3      GLU  11  20.923  -0.882   8.772
   80    H    GLY  12           H        GLY  12  19.051   3.028   6.600
   81    HA2  GLY  12           HA2      GLY  12  20.439   5.575   6.565
   82    HA3  GLY  12           HA3      GLY  12  20.777   4.588   5.134
   83    H    MET  13           H        MET  13  17.612   4.274   6.643
   84    HA   MET  13           HA       MET  13  16.417   6.153   4.679
   85    HB2  MET  13           HB2      MET  13  15.439   3.293   5.027
   86    HB3  MET  13           HB3      MET  13  14.842   4.507   3.902
   87    HG2  MET  13           HG2      MET  13  16.115   3.136   2.549
   88    HG3  MET  13           HG3      MET  13  17.202   4.489   2.872
   89    HE1  MET  13           HE1      MET  13  16.399   0.715   3.247
   90    HE2  MET  13           HE2      MET  13  17.498   0.173   4.535
   91    HE3  MET  13           HE3      MET  13  16.133   1.251   4.917
   92    H    THR  14           H        THR  14  14.089   6.561   5.162
   93    HA   THR  14           HA       THR  14  13.201   5.643   7.819
   94    HB   THR  14           HB       THR  14  13.273   8.586   7.012
   95   HG21  THR  14          HG21      THR  14  12.382   9.014   9.254
   96   HG22  THR  14          HG22      THR  14  11.277   7.935   8.392
   97   HG23  THR  14          HG23      THR  14  12.384   7.282   9.625
   98    H    SER  15           H        SER  15  12.498   7.264   4.708
   99    HA   SER  15           HA       SER  15   9.606   7.157   5.020
  100    HB2  SER  15           HB2      SER  15  11.374   7.334   2.544
  101    HB3  SER  15           HB3      SER  15   9.626   7.645   2.607
  102    HG   SER  15           HG       SER  15  10.141   9.305   4.179
  103    H    LEU  16           H        LEU  16   8.189   5.735   4.442
  104    HA   LEU  16           HA       LEU  16   9.183   3.030   3.638
  105    HB2  LEU  16           HB2      LEU  16   7.690   3.334   5.663
  106    HB3  LEU  16           HB3      LEU  16   6.416   3.894   4.562
  107    HG   LEU  16           HG       LEU  16   6.529   1.687   3.382
  108   HD11  LEU  16          HD11      LEU  16   8.868   1.085   3.996
  109   HD12  LEU  16          HD12      LEU  16   8.378   0.950   5.699
  110   HD13  LEU  16          HD13      LEU  16   7.727  -0.176   4.490
  111   HD21  LEU  16          HD21      LEU  16   4.860   2.098   5.115
  112   HD22  LEU  16          HD22      LEU  16   5.408   0.416   5.174
  113   HD23  LEU  16          HD23      LEU  16   6.008   1.586   6.377
  114    H    LYS  17           H        LYS  17   8.014   1.931   1.940
  115    HA   LYS  17           HA       LYS  17   6.319   3.480   0.064
  116    HB2  LYS  17           HB2      LYS  17   8.298   3.764  -1.079
  117    HB3  LYS  17           HB3      LYS  17   8.993   2.254  -0.449
  118    HG2  LYS  17           HG2      LYS  17   8.645   2.044  -2.794
  119    HG3  LYS  17           HG3      LYS  17   7.528   0.954  -1.956
  120    HD2  LYS  17           HD2      LYS  17   5.733   2.705  -2.253
  121    HD3  LYS  17           HD3      LYS  17   6.883   3.641  -3.238
  122    HE2  LYS  17           HE2      LYS  17   5.964   0.802  -3.806
  123    HE3  LYS  17           HE3      LYS  17   5.372   2.265  -4.614
  124    HZ1  LYS  17           HZ1      LYS  17   7.606   2.671  -5.401
  125    HZ2  LYS  17           HZ2      LYS  17   8.155   1.299  -4.685
  126    HZ3  LYS  17           HZ3      LYS  17   7.067   1.206  -5.911
  127    H    VAL  18           H        VAL  18   4.636   2.242  -0.588
  128    HA   VAL  18           HA       VAL  18   4.798  -0.729  -0.160
  129    HB   VAL  18           HB       VAL  18   2.678   1.284   0.520
  130   HG11  VAL  18          HG11      VAL  18   2.280  -1.705   0.083
  131   HG12  VAL  18          HG12      VAL  18   1.089  -0.624   0.856
  132   HG13  VAL  18          HG13      VAL  18   1.510  -0.407  -0.852
  133   HG21  VAL  18          HG21      VAL  18   4.348   0.579   2.222
  134   HG22  VAL  18          HG22      VAL  18   2.700   0.055   2.650
  135   HG23  VAL  18          HG23      VAL  18   3.867  -1.109   1.951
  136    H    ASP  19           H        ASP  19   3.901  -1.971  -1.648
  137    HA   ASP  19           HA       ASP  19   2.923  -0.894  -4.235
  138    HB2  ASP  19           HB2      ASP  19   5.064  -0.942  -4.914
  139    HB3  ASP  19           HB3      ASP  19   5.589  -1.921  -3.543
  140    H    ASN  20           H        ASN  20   2.446  -2.748  -5.734
  141    HA   ASN  20           HA       ASN  20   1.439  -4.661  -6.336
  142    HB2  ASN  20           HB2      ASN  20   2.808  -5.751  -4.417
  143    HB3  ASN  20           HB3      ASN  20   1.261  -5.720  -3.527
  144   HD21  ASN  20          HD22      ASN  20   0.319  -7.712  -3.593
  145   HD22  ASN  20          HD21      ASN  20   0.314  -8.749  -4.997
  146    H    LEU  21           H        LEU  21  -0.530  -4.161  -7.022
  147    HA   LEU  21           HA       LEU  21  -2.752  -3.879  -5.050
  148    HB2  LEU  21           HB2      LEU  21  -2.442  -2.231  -7.583
  149    HB3  LEU  21           HB3      LEU  21  -3.677  -2.046  -6.337
  150    HG   LEU  21           HG       LEU  21  -0.700  -1.507  -6.007
  151   HD11  LEU  21          HD11      LEU  21  -3.118   0.347  -6.253
  152   HD12  LEU  21          HD12      LEU  21  -1.444   0.866  -5.981
  153   HD13  LEU  21          HD13      LEU  21  -1.883   0.072  -7.506
  154   HD21  LEU  21          HD21      LEU  21  -2.864  -0.611  -4.101
  155   HD22  LEU  21          HD22      LEU  21  -2.112  -2.216  -3.916
  156   HD23  LEU  21          HD23      LEU  21  -1.101  -0.768  -3.846
  157    H    THR  22           H        THR  22  -4.894  -3.926  -6.349
  158    HA   THR  22           HA       THR  22  -4.691  -5.861  -8.607
  159    HB   THR  22           HB       THR  22  -5.431  -6.950  -6.505
  160   HG21  THR  22          HG21      THR  22  -6.595  -5.091  -5.419
  161   HG22  THR  22          HG22      THR  22  -7.839  -5.092  -6.705
  162   HG23  THR  22          HG23      THR  22  -7.677  -6.483  -5.616
  163    H    TYR  23           H        TYR  23  -5.065  -2.810  -8.325
  164    HA   TYR  23           HA       TYR  23  -5.971  -1.251  -9.691
  165    HB2  TYR  23           HB2      TYR  23  -6.545  -2.011 -11.655
  166    HB3  TYR  23           HB3      TYR  23  -6.754  -3.630 -11.027
  167    HD1  TYR  23           HD1      TYR  23  -9.133  -4.082  -9.832
  168    HD2  TYR  23           HD2      TYR  23  -8.311  -0.921 -12.633
  169    HE1  TYR  23           HE1      TYR  23 -11.544  -3.938 -10.363
  170    HE2  TYR  23           HE2      TYR  23 -10.740  -0.764 -13.163
  171    HH   TYR  23           HH       TYR  23 -13.161  -2.904 -11.610
  172    H    ARG  24           H        ARG  24  -7.521  -2.918  -7.316
  173    HA   ARG  24           HA       ARG  24  -9.584  -0.772  -7.018
  174    HB2  ARG  24           HB2      ARG  24 -10.545  -2.799  -8.006
  175    HB3  ARG  24           HB3      ARG  24  -9.945  -3.761  -6.655
  176    HG2  ARG  24           HG2      ARG  24 -11.466  -2.610  -5.116
  177    HG3  ARG  24           HG3      ARG  24 -11.917  -1.443  -6.379
  178    HD2  ARG  24           HD2      ARG  24 -12.875  -3.269  -7.728
  179    HD3  ARG  24           HD3      ARG  24 -12.399  -4.447  -6.492
  180    HE   ARG  24           HE       ARG  24 -14.154  -3.757  -5.128
  181   HH11  ARG  24          HH11      ARG  24 -13.852  -1.588  -7.899
  182   HH12  ARG  24          HH12      ARG  24 -15.397  -0.815  -7.617
  183   HH21  ARG  24          HH21      ARG  24 -16.147  -2.724  -4.765
  184   HH22  ARG  24          HH22      ARG  24 -16.675  -1.445  -5.839
  185    H    THR  25           H        THR  25  -6.839  -2.057  -5.726
  186    HA   THR  25           HA       THR  25  -7.471  -2.373  -2.971
  187    HB   THR  25           HB       THR  25  -4.932  -1.401  -4.346
  188   HG21  THR  25          HG21      THR  25  -4.799  -0.784  -2.042
  189   HG22  THR  25          HG22      THR  25  -5.478  -2.340  -1.511
  190   HG23  THR  25          HG23      THR  25  -3.846  -2.270  -2.234
  191    H    SER  26           H        SER  26  -6.555   0.476  -4.903
  192    HA   SER  26           HA       SER  26  -6.673   2.683  -4.600
  193    HB2  SER  26           HB2      SER  26  -8.962   1.876  -2.780
  194    HB3  SER  26           HB3      SER  26  -8.680   3.525  -3.369
  195    HG   SER  26           HG       SER  26  -8.889   2.734  -5.488
  196    HA   PRO  27           HA       PRO  27  -4.219   4.225  -1.284
  197    HB2  PRO  27           HB2      PRO  27  -5.077   6.848  -1.188
  198    HB3  PRO  27           HB3      PRO  27  -3.936   6.180  -2.387
  199    HG2  PRO  27           HG2      PRO  27  -6.889   6.725  -2.652
  200    HG3  PRO  27           HG3      PRO  27  -5.594   6.973  -3.872
  201    HD2  PRO  27           HD2      PRO  27  -7.299   4.844  -3.924
  202    HD3  PRO  27           HD3      PRO  27  -5.613   4.711  -4.472
  203    H    ASP  28           H        ASP  28  -7.765   4.626  -1.070
  204    HA   ASP  28           HA       ASP  28  -7.746   5.635   1.624
  205    HB2  ASP  28           HB2      ASP  28  -9.617   5.832  -0.031
  206    HB3  ASP  28           HB3      ASP  28  -9.883   4.081   0.148
  207    H    THR  29           H        THR  29  -8.141   2.320   0.224
  208    HA   THR  29           HA       THR  29  -8.698   1.085   2.754
  209    HB   THR  29           HB       THR  29  -7.339  -0.174   0.353
  210   HG21  THR  29          HG21      THR  29  -7.453  -1.580   2.374
  211   HG22  THR  29          HG22      THR  29  -9.198  -1.281   2.505
  212   HG23  THR  29          HG23      THR  29  -8.556  -2.203   1.126
  213    H    LEU  30           H        LEU  30  -5.731   1.652   0.802
  214    HA   LEU  30           HA       LEU  30  -3.937   0.295   2.526
  215    HB2  LEU  30           HB2      LEU  30  -3.575   2.720   0.716
  216    HB3  LEU  30           HB3      LEU  30  -2.242   1.793   1.420
  217    HG   LEU  30           HG       LEU  30  -4.352   0.483  -0.328
  218   HD11  LEU  30          HD11      LEU  30  -1.701   1.744  -1.150
  219   HD12  LEU  30          HD12      LEU  30  -2.762   0.760  -2.198
  220   HD13  LEU  30          HD13      LEU  30  -3.334   2.318  -1.578
  221   HD21  LEU  30          HD21      LEU  30  -1.471  -0.233   0.392
  222   HD22  LEU  30          HD22      LEU  30  -2.924  -0.997   1.069
  223   HD23  LEU  30          HD23      LEU  30  -2.549  -1.182  -0.657
  224    H    ARG  31           H        ARG  31  -5.386   3.572   2.648
  225    HA   ARG  31           HA       ARG  31  -3.498   4.698   4.410
  226    HB2  ARG  31           HB2      ARG  31  -5.572   5.715   3.058
  227    HB3  ARG  31           HB3      ARG  31  -6.446   5.408   4.559
  228    HG2  ARG  31           HG2      ARG  31  -4.068   7.231   4.069
  229    HG3  ARG  31           HG3      ARG  31  -5.697   7.670   4.622
  230    HD2  ARG  31           HD2      ARG  31  -5.239   6.401   6.741
  231    HD3  ARG  31           HD3      ARG  31  -3.582   6.143   6.168
  232    HE   ARG  31           HE       ARG  31  -3.097   8.440   6.432
  233   HH11  ARG  31          HH11      ARG  31  -6.429   7.701   7.360
  234   HH12  ARG  31          HH12      ARG  31  -6.647   9.211   8.213
  235   HH21  ARG  31          HH21      ARG  31  -3.401  10.388   7.552
  236   HH22  ARG  31          HH22      ARG  31  -4.935  10.730   8.317
  237    H    ARG  32           H        ARG  32  -6.693   3.229   5.156
  238    HA   ARG  32           HA       ARG  32  -6.083   3.282   8.011
  239    HB2  ARG  32           HB2      ARG  32  -8.361   2.350   8.235
  240    HB3  ARG  32           HB3      ARG  32  -8.341   3.716   7.100
  241    HG2  ARG  32           HG2      ARG  32  -7.859   1.622   5.384
  242    HG3  ARG  32           HG3      ARG  32  -8.900   0.841   6.589
  243    HD2  ARG  32           HD2      ARG  32  -9.496   3.416   5.076
  244    HD3  ARG  32           HD3      ARG  32 -10.159   1.821   4.694
  245    HE   ARG  32           HE       ARG  32 -10.804   2.290   7.385
  246   HH11  ARG  32          HH11      ARG  32 -11.484   3.845   4.267
  247   HH12  ARG  32          HH12      ARG  32 -13.018   4.481   4.801
  248   HH21  ARG  32          HH21      ARG  32 -12.816   3.145   8.035
  249   HH22  ARG  32          HH22      ARG  32 -13.759   4.106   6.917
  250    H    VAL  33           H        VAL  33  -5.158   1.183   5.568
  251    HA   VAL  33           HA       VAL  33  -5.068  -1.204   7.321
  252    HB   VAL  33           HB       VAL  33  -4.425  -0.585   4.434
  253   HG11  VAL  33          HG11      VAL  33  -3.750  -2.993   4.188
  254   HG12  VAL  33          HG12      VAL  33  -2.583  -1.998   5.086
  255   HG13  VAL  33          HG13      VAL  33  -3.677  -3.108   5.959
  256   HG21  VAL  33          HG21      VAL  33  -6.771  -1.174   5.211
  257   HG22  VAL  33          HG22      VAL  33  -6.093  -2.349   4.059
  258   HG23  VAL  33          HG23      VAL  33  -6.138  -2.713   5.815
  259    H    PHE  34           H        PHE  34  -3.143   1.556   6.550
  260    HA   PHE  34           HA       PHE  34  -0.710   0.148   7.594
  261    HB2  PHE  34           HB2      PHE  34  -1.154   2.144   5.363
  262    HB3  PHE  34           HB3      PHE  34   0.372   2.152   6.220
  263    HD1  PHE  34           HD2      PHE  34   1.733   0.084   6.412
  264    HD2  PHE  34           HD1      PHE  34  -1.506   0.510   3.650
  265    HE1  PHE  34           HE2      PHE  34   2.658  -1.800   5.054
  266    HE2  PHE  34           HE1      PHE  34  -0.599  -1.346   2.270
  267    HZ   PHE  34           HZ       PHE  34   1.487  -2.522   2.999
  268    H    GLU  35           H        GLU  35  -2.602   3.220   7.583
  269    HA   GLU  35           HA       GLU  35  -0.786   4.420   9.348
  270    HB2  GLU  35           HB2      GLU  35  -2.300   6.232   9.509
  271    HB3  GLU  35           HB3      GLU  35  -2.636   5.512   7.938
  272    HG2  GLU  35           HG2      GLU  35  -4.769   5.869   8.775
  273    HG3  GLU  35           HG3      GLU  35  -4.478   4.170   9.187
  274    H    LYS  36           H        LYS  36  -3.083   1.940   9.766
  275    HA   LYS  36           HA       LYS  36  -4.099   2.407  12.338
  276    HB2  LYS  36           HB2      LYS  36  -4.657   0.030  12.305
  277    HB3  LYS  36           HB3      LYS  36  -4.959   0.756  10.707
  278    HG2  LYS  36           HG2      LYS  36  -2.672  -0.114  10.001
  279    HG3  LYS  36           HG3      LYS  36  -2.616  -1.005  11.528
  280    HD2  LYS  36           HD2      LYS  36  -4.569  -1.346   9.234
  281    HD3  LYS  36           HD3      LYS  36  -3.400  -2.523   9.863
  282    HE2  LYS  36           HE2      LYS  36  -4.712  -2.465  12.042
  283    HE3  LYS  36           HE3      LYS  36  -5.932  -1.494  11.178
  284    HZ1  LYS  36           HZ1      LYS  36  -5.064  -4.204  10.418
  285    HZ2  LYS  36           HZ2      LYS  36  -6.480  -3.826  11.164
  286    HZ3  LYS  36           HZ3      LYS  36  -6.195  -3.302   9.634
  287    H    TYR  37           H        TYR  37  -1.022   1.028  11.254
  288    HA   TYR  37           HA       TYR  37  -0.355   0.010  13.866
  289    HB2  TYR  37           HB2      TYR  37   1.370   0.614  11.427
  290    HB3  TYR  37           HB3      TYR  37   1.925  -0.249  12.858
  291    HD1  TYR  37           HD2      TYR  37   1.112  -2.517  13.366
  292    HD2  TYR  37           HD1      TYR  37  -0.126  -0.431   9.814
  293    HE1  TYR  37           HE2      TYR  37   0.262  -4.640  12.421
  294    HE2  TYR  37           HE1      TYR  37  -0.982  -2.543   8.863
  295    HH   TYR  37           HH       TYR  37  -1.305  -4.795   9.197
  296    H    GLY  38           H        GLY  38  -0.156   3.125  12.294
  297    HA2  GLY  38           HA2      GLY  38   0.530   4.417  14.761
  298    HA3  GLY  38           HA3      GLY  38   1.941   4.363  13.676
  299    H    ARG  39           H        ARG  39   1.428   5.086  11.321
  300    HA   ARG  39           HA       ARG  39  -0.840   6.781  10.853
  301    HB2  ARG  39           HB2      ARG  39   0.926   8.095  12.440
  302    HB3  ARG  39           HB3      ARG  39   1.744   8.335  10.889
  303    HG2  ARG  39           HG2      ARG  39   0.304  10.233  11.421
  304    HG3  ARG  39           HG3      ARG  39  -0.317   9.406   9.980
  305    HD2  ARG  39           HD2      ARG  39  -2.035   8.302  11.288
  306    HD3  ARG  39           HD3      ARG  39  -1.295   8.868  12.798
  307    HE   ARG  39           HE       ARG  39  -1.804  11.222  11.628
  308   HH11  ARG  39          HH11      ARG  39  -3.908   8.362  11.790
  309   HH12  ARG  39          HH12      ARG  39  -5.369   9.314  11.838
  310   HH21  ARG  39          HH21      ARG  39  -3.730  12.412  11.662
  311   HH22  ARG  39          HH22      ARG  39  -5.274  11.596  11.727
  312    H    VAL  40           H        VAL  40  -0.601   7.994   8.787
  313    HA   VAL  40           HA       VAL  40   1.442   6.826   6.967
  314    HB   VAL  40           HB       VAL  40  -1.569   7.076   6.598
  315   HG11  VAL  40          HG11      VAL  40  -0.582   7.986   4.540
  316   HG12  VAL  40          HG12      VAL  40   0.560   6.617   4.472
  317   HG13  VAL  40          HG13      VAL  40  -1.181   6.329   4.266
  318   HG21  VAL  40          HG21      VAL  40  -0.338   4.946   7.485
  319   HG22  VAL  40          HG22      VAL  40  -1.492   4.748   6.124
  320   HG23  VAL  40          HG23      VAL  40   0.251   4.783   5.828
  321    H    GLY  41           H        GLY  41   2.707   8.555   6.895
  322    HA2  GLY  41           HA2      GLY  41   1.958  11.282   6.840
  323    HA3  GLY  41           HA3      GLY  41   3.487  10.599   6.235
  324    H    ASP  42           H        ASP  42   2.052   8.847   4.247
  325    HA   ASP  42           HA       ASP  42   0.800  10.708   2.359
  326    HB2  ASP  42           HB2      ASP  42   3.567   9.490   2.049
  327    HB3  ASP  42           HB3      ASP  42   2.604   9.948   0.642
  328    H    VAL  43           H        VAL  43  -0.465   9.551   0.884
  329    HA   VAL  43           HA       VAL  43   0.083   6.706   0.436
  330    HB   VAL  43           HB       VAL  43  -1.560   7.260   2.513
  331   HG11  VAL  43          HG11      VAL  43  -3.470   6.873   0.194
  332   HG12  VAL  43          HG12      VAL  43  -3.880   6.848   1.920
  333   HG13  VAL  43          HG13      VAL  43  -3.313   8.356   1.179
  334   HG21  VAL  43          HG21      VAL  43  -1.714   4.927   0.611
  335   HG22  VAL  43          HG22      VAL  43  -0.775   5.099   2.137
  336   HG23  VAL  43          HG23      VAL  43  -2.532   4.996   2.189
  337    H    TYR  44           H        TYR  44   0.123   6.612  -1.733
  338    HA   TYR  44           HA       TYR  44  -2.226   7.589  -3.174
  339    HB2  TYR  44           HB2      TYR  44  -1.275   9.195  -4.494
  340    HB3  TYR  44           HB3      TYR  44  -0.530   9.548  -2.944
  341    HD1  TYR  44           HD1      TYR  44   1.908   9.027  -2.609
  342    HD2  TYR  44           HD2      TYR  44  -0.071   8.335  -6.362
  343    HE1  TYR  44           HE1      TYR  44   4.113   8.903  -3.747
  344    HE2  TYR  44           HE2      TYR  44   2.112   8.172  -7.501
  345    HH   TYR  44           HH       TYR  44   5.213   8.596  -5.739
  346    H    ILE  45           H        ILE  45  -2.038   7.089  -5.558
  347    HA   ILE  45           HA       ILE  45  -0.433   4.613  -5.973
  348    HB   ILE  45           HB       ILE  45  -3.345   5.168  -6.631
  349   HG12  ILE  45          HG12      ILE  45  -3.703   2.948  -5.672
  350   HG13  ILE  45          HG13      ILE  45  -1.976   2.784  -5.315
  351   HG21  ILE  45          HG21      ILE  45  -1.525   2.954  -7.689
  352   HG22  ILE  45          HG22      ILE  45  -3.283   3.078  -7.963
  353   HG23  ILE  45          HG23      ILE  45  -2.182   4.295  -8.646
  354   HD11  ILE  45          HD11      ILE  45  -3.595   5.061  -4.172
  355   HD12  ILE  45          HD12      ILE  45  -3.578   3.441  -3.417
  356   HD13  ILE  45          HD13      ILE  45  -2.067   4.350  -3.565
  357    HA   PRO  46           HA       PRO  46   0.931   7.271  -9.407
  358    HB2  PRO  46           HB2      PRO  46   3.052   5.729 -10.154
  359    HB3  PRO  46           HB3      PRO  46   3.057   6.754  -8.692
  360    HG2  PRO  46           HG2      PRO  46   2.443   3.797  -8.881
  361    HG3  PRO  46           HG3      PRO  46   3.564   4.656  -7.741
  362    HD2  PRO  46           HD2      PRO  46   1.038   3.932  -7.055
  363    HD3  PRO  46           HD3      PRO  46   1.793   5.452  -6.466
  364    H    ARG  47           H        ARG  47  -1.401   5.765  -9.847
  365    HA   ARG  47           HA       ARG  47  -1.096   3.760 -11.863
  366    HB2  ARG  47           HB2      ARG  47  -3.431   3.784 -12.084
  367    HB3  ARG  47           HB3      ARG  47  -3.159   4.169 -10.393
  368    HG2  ARG  47           HG2      ARG  47  -3.533   6.600 -10.968
  369    HG3  ARG  47           HG3      ARG  47  -3.832   6.091 -12.654
  370    HD2  ARG  47           HD2      ARG  47  -5.598   4.498 -11.716
  371    HD3  ARG  47           HD3      ARG  47  -5.459   5.386 -10.194
  372    HE   ARG  47           HE       ARG  47  -6.538   7.218 -11.172
  373   HH11  ARG  47          HH11      ARG  47  -5.772   4.798 -13.644
  374   HH12  ARG  47          HH12      ARG  47  -6.753   5.583 -14.864
  375   HH21  ARG  47          HH21      ARG  47  -7.796   8.205 -12.797
  376   HH22  ARG  47          HH22      ARG  47  -7.882   7.491 -14.390
  377    H    ASP  48           H        ASP  48  -2.458   4.120 -14.022
  378    HA   ASP  48           HA       ASP  48  -0.883   5.679 -15.770
  379    HB2  ASP  48           HB2      ASP  48  -3.661   4.486 -16.050
  380    HB3  ASP  48           HB3      ASP  48  -2.709   5.149 -17.387
  381    H    ARG  49           H        ARG  49  -2.241   7.161 -17.444
  382    HA   ARG  49           HA       ARG  49  -3.644   9.254 -15.869
  383    HB2  ARG  49           HB2      ARG  49  -1.197   9.697 -16.009
  384    HB3  ARG  49           HB3      ARG  49  -1.295   9.679 -17.764
  385    HG2  ARG  49           HG2      ARG  49  -1.182  11.950 -16.845
  386    HG3  ARG  49           HG3      ARG  49  -2.670  11.708 -17.752
  387    HD2  ARG  49           HD2      ARG  49  -2.512  11.357 -14.737
  388    HD3  ARG  49           HD3      ARG  49  -2.794  12.940 -15.485
  389    HE   ARG  49           HE       ARG  49  -4.680  11.295 -16.652
  390   HH11  ARG  49          HH11      ARG  49  -3.877  12.263 -13.353
  391   HH12  ARG  49          HH12      ARG  49  -5.518  12.118 -12.773
  392   HH21  ARG  49          HH21      ARG  49  -6.825  11.101 -15.873
  393   HH22  ARG  49          HH22      ARG  49  -7.178  11.466 -14.199
  394    H    TYR  50           H        TYR  50  -3.904   7.155 -18.388
  395    HA   TYR  50           HA       TYR  50  -5.834   8.900 -19.762
  396    HB2  TYR  50           HB2      TYR  50  -4.898   8.241 -21.971
  397    HB3  TYR  50           HB3      TYR  50  -3.825   9.269 -21.026
  398    HD1  TYR  50           HD1      TYR  50  -1.785   8.355 -19.972
  399    HD2  TYR  50           HD2      TYR  50  -4.257   5.983 -22.571
  400    HE1  TYR  50           HE1      TYR  50   0.065   6.731 -20.237
  401    HE2  TYR  50           HE2      TYR  50  -2.416   4.351 -22.847
  402    HH   TYR  50           HH       TYR  50   0.757   4.768 -21.213
  403    H    THR  51           H        THR  51  -5.627   6.288 -18.021
  404    HA   THR  51           HA       THR  51  -7.607   4.801 -19.652
  405    HB   THR  51           HB       THR  51  -6.549   2.666 -19.062
  406   HG21  THR  51          HG21      THR  51  -4.542   4.502 -20.427
  407   HG22  THR  51          HG22      THR  51  -4.659   2.742 -20.592
  408   HG23  THR  51          HG23      THR  51  -5.959   3.774 -21.228
  409    H    LYS  52           H        LYS  52  -8.467   2.926 -18.187
  410    HA   LYS  52           HA       LYS  52  -9.303   4.190 -15.631
  411    HB2  LYS  52           HB2      LYS  52 -10.599   2.132 -17.461
  412    HB3  LYS  52           HB3      LYS  52 -11.192   2.497 -15.836
  413    HG2  LYS  52           HG2      LYS  52 -12.509   3.756 -17.350
  414    HG3  LYS  52           HG3      LYS  52 -11.467   4.889 -16.479
  415    HD2  LYS  52           HD2      LYS  52 -10.019   5.133 -18.420
  416    HD3  LYS  52           HD3      LYS  52 -10.875   3.821 -19.269
  417    HE2  LYS  52           HE2      LYS  52 -12.951   5.162 -19.221
  418    HE3  LYS  52           HE3      LYS  52 -12.099   6.461 -18.370
  419    HZ1  LYS  52           HZ1      LYS  52 -11.450   5.470 -21.069
  420    HZ2  LYS  52           HZ2      LYS  52 -12.236   6.870 -20.724
  421    HZ3  LYS  52           HZ3      LYS  52 -10.664   6.687 -20.276
  422    H    GLU  53           H        GLU  53  -6.747   2.714 -16.002
  423    HA   GLU  53           HA       GLU  53  -7.191   0.624 -13.940
  424    HB2  GLU  53           HB2      GLU  53  -5.693  -0.907 -15.144
  425    HB3  GLU  53           HB3      GLU  53  -7.127  -0.524 -16.106
  426    HG2  GLU  53           HG2      GLU  53  -5.845   1.126 -17.402
  427    HG3  GLU  53           HG3      GLU  53  -4.402   0.805 -16.430
  428    H    SER  54           H        SER  54  -4.575  -0.242 -13.645
  429    HA   SER  54           HA       SER  54  -3.005   2.214 -13.136
  430    HB2  SER  54           HB2      SER  54  -2.665   1.613 -10.806
  431    HB3  SER  54           HB3      SER  54  -4.405   1.750 -11.117
  432    HG   SER  54           HG       SER  54  -3.862  -0.147  -9.943
  433    H    ARG  55           H        ARG  55  -0.837   1.678 -12.212
  434    HA   ARG  55           HA       ARG  55   0.487  -0.162 -14.001
  435    HB2  ARG  55           HB2      ARG  55   1.459   1.433 -11.604
  436    HB3  ARG  55           HB3      ARG  55   2.511   0.605 -12.769
  437    HG2  ARG  55           HG2      ARG  55   0.574   2.856 -13.467
  438    HG3  ARG  55           HG3      ARG  55   2.303   3.056 -13.159
  439    HD2  ARG  55           HD2      ARG  55   2.169   2.975 -15.489
  440    HD3  ARG  55           HD3      ARG  55   2.684   1.340 -15.031
  441    HE   ARG  55           HE       ARG  55  -0.204   1.968 -15.521
  442   HH11  ARG  55          HH11      ARG  55   2.691   0.122 -16.383
  443   HH12  ARG  55          HH12      ARG  55   1.806  -0.953 -17.443
  444   HH21  ARG  55          HH21      ARG  55  -1.290   0.608 -16.915
  445   HH22  ARG  55          HH22      ARG  55  -0.455  -0.692 -17.736
  446    H    GLY  56           H        GLY  56  -1.002  -0.601 -10.940
  447    HA2  GLY  56           HA2      GLY  56  -1.319  -2.782 -10.077
  448    HA3  GLY  56           HA3      GLY  56   0.191  -3.318 -10.825
  449    H    PHE  57           H        PHE  57   0.504  -0.259  -9.168
  450    HA   PHE  57           HA       PHE  57   1.197  -1.497  -6.586
  451    HB2  PHE  57           HB2      PHE  57   3.428  -0.889  -6.593
  452    HB3  PHE  57           HB3      PHE  57   3.200  -1.696  -8.148
  453    HD1  PHE  57           HD1      PHE  57   2.778  -0.061 -10.210
  454    HD2  PHE  57           HD2      PHE  57   4.479   1.122  -6.450
  455    HE1  PHE  57           HE1      PHE  57   3.771   1.960 -11.283
  456    HE2  PHE  57           HE2      PHE  57   5.491   3.114  -7.525
  457    HZ   PHE  57           HZ       PHE  57   5.082   3.566  -9.933
  458    H    ALA  58           H        ALA  58   1.579   0.022  -4.940
  459    HA   ALA  58           HA       ALA  58   0.322   2.670  -5.449
  460    HB1  ALA  58           HB1      ALA  58  -0.966   1.231  -3.944
  461    HB2  ALA  58           HB2      ALA  58   0.483   0.938  -2.948
  462    HB3  ALA  58           HB3      ALA  58  -0.249   2.560  -3.027
  463    H    PHE  59           H        PHE  59   1.097   3.791  -3.033
  464    HA   PHE  59           HA       PHE  59   3.974   3.676  -2.589
  465    HB2  PHE  59           HB2      PHE  59   3.231   5.074  -4.827
  466    HB3  PHE  59           HB3      PHE  59   2.988   6.319  -3.622
  467    HD1  PHE  59           HD1      PHE  59   5.343   5.835  -1.771
  468    HD2  PHE  59           HD2      PHE  59   5.039   5.612  -6.061
  469    HE1  PHE  59           HE1      PHE  59   7.756   6.332  -1.972
  470    HE2  PHE  59           HE2      PHE  59   7.454   6.082  -6.257
  471    HZ   PHE  59           HZ       PHE  59   8.822   6.469  -4.210
  472    H    VAL  60           H        VAL  60   2.463   2.979  -0.736
  473    HA   VAL  60           HA       VAL  60   1.629   5.433   0.671
  474    HB   VAL  60           HB       VAL  60   0.971   4.336   2.400
  475   HG11  VAL  60          HG11      VAL  60  -0.006   2.147   1.968
  476   HG12  VAL  60          HG12      VAL  60  -0.266   3.316   0.648
  477   HG13  VAL  60          HG13      VAL  60   0.906   2.019   0.441
  478   HG21  VAL  60          HG21      VAL  60   1.868   2.285   3.433
  479   HG22  VAL  60          HG22      VAL  60   3.217   2.364   2.244
  480   HG23  VAL  60          HG23      VAL  60   2.940   3.678   3.398
  481    H    ARG  61           H        ARG  61   2.882   6.677   2.041
  482    HA   ARG  61           HA       ARG  61   5.662   5.769   2.544
  483    HB2  ARG  61           HB2      ARG  61   6.222   7.107   0.787
  484    HB3  ARG  61           HB3      ARG  61   4.841   8.213   0.998
  485    HG2  ARG  61           HG2      ARG  61   5.936   9.197   2.979
  486    HG3  ARG  61           HG3      ARG  61   7.264   8.010   2.835
  487    HD2  ARG  61           HD2      ARG  61   7.656   8.942   0.499
  488    HD3  ARG  61           HD3      ARG  61   6.547  10.260   0.914
  489    HE   ARG  61           HE       ARG  61   9.283   9.815   1.864
  490   HH11  ARG  61          HH11      ARG  61   6.237  11.543   2.538
  491   HH12  ARG  61          HH12      ARG  61   7.032  12.746   3.514
  492   HH21  ARG  61          HH21      ARG  61  10.247  11.400   3.141
  493   HH22  ARG  61          HH22      ARG  61   9.283  12.673   3.852
  494    H    PHE  62           H        PHE  62   6.466   6.047   4.261
  495    HA   PHE  62           HA       PHE  62   4.723   7.292   6.374
  496    HB2  PHE  62           HB2      PHE  62   6.722   5.045   6.420
  497    HB3  PHE  62           HB3      PHE  62   6.277   5.925   7.879
  498    HD1  PHE  62           HD2      PHE  62   3.946   5.078   5.040
  499    HD2  PHE  62           HD1      PHE  62   5.142   4.335   9.113
  500    HE1  PHE  62           HE2      PHE  62   1.888   3.808   5.388
  501    HE2  PHE  62           HE1      PHE  62   3.103   2.963   9.441
  502    HZ   PHE  62           HZ       PHE  62   1.491   2.692   7.634
  503    H    HIS  63           H        HIS  63   5.501   8.692   7.803
  504    HA   HIS  63           HA       HIS  63   7.843  10.302   7.016
  505    HB2  HIS  63           HB2      HIS  63   6.779  11.872   8.681
  506    HB3  HIS  63           HB3      HIS  63   5.726  11.437   7.327
  507    HD2  HIS  63           HD2      HIS  63   3.408  11.792   8.682
  508    HE1  HIS  63           HE1      HIS  63   3.999   8.710  11.552
  509    HE2  HIS  63           HE2      HIS  63   2.330  10.404  10.600
  510    H    ASP  64           H        ASP  64   7.227   7.691   9.055
  511    HA   ASP  64           HA       ASP  64   9.526   8.341  10.786
  512    HB2  ASP  64           HB2      ASP  64   7.471   9.171  11.936
  513    HB3  ASP  64           HB3      ASP  64   6.822   7.524  11.906
  514    H    LYS  65           H        LYS  65  10.817   6.648  10.494
  515    HA   LYS  65           HA       LYS  65  10.113   4.244   9.278
  516    HB2  LYS  65           HB2      LYS  65  12.331   3.507   9.838
  517    HB3  LYS  65           HB3      LYS  65  12.363   5.233   9.453
  518    HG2  LYS  65           HG2      LYS  65  12.148   5.603  12.026
  519    HG3  LYS  65           HG3      LYS  65  12.602   3.891  12.164
  520    HD2  LYS  65           HD2      LYS  65  14.199   6.111  10.813
  521    HD3  LYS  65           HD3      LYS  65  14.587   5.326  12.355
  522    HE2  LYS  65           HE2      LYS  65  14.906   3.177  11.194
  523    HE3  LYS  65           HE3      LYS  65  14.452   3.934   9.655
  524    HZ1  LYS  65           HZ1      LYS  65  16.766   4.724  11.289
  525    HZ2  LYS  65           HZ2      LYS  65  16.840   3.797   9.932
  526    HZ3  LYS  65           HZ3      LYS  65  16.351   5.361   9.832
  527    H    ARG  66           H        ARG  66   9.764   5.123  12.681
  528    HA   ARG  66           HA       ARG  66   9.856   2.411  13.693
  529    HB2  ARG  66           HB2      ARG  66   8.565   4.930  14.822
  530    HB3  ARG  66           HB3      ARG  66   8.862   3.435  15.722
  531    HG2  ARG  66           HG2      ARG  66  10.956   5.291  14.508
  532    HG3  ARG  66           HG3      ARG  66  10.602   5.061  16.230
  533    HD2  ARG  66           HD2      ARG  66  11.287   2.667  16.022
  534    HD3  ARG  66           HD3      ARG  66  11.716   2.975  14.320
  535    HE   ARG  66           HE       ARG  66  12.998   4.740  16.281
  536   HH11  ARG  66          HH11      ARG  66  13.265   1.755  14.387
  537   HH12  ARG  66          HH12      ARG  66  15.003   1.693  14.536
  538   HH21  ARG  66          HH21      ARG  66  15.261   4.637  16.428
  539   HH22  ARG  66          HH22      ARG  66  16.132   3.320  15.677
  540    H    ASP  67           H        ASP  67   7.175   4.649  12.796
  541    HA   ASP  67           HA       ASP  67   5.107   2.714  13.296
  542    HB2  ASP  67           HB2      ASP  67   5.177   5.122  11.427
  543    HB3  ASP  67           HB3      ASP  67   3.721   4.240  11.894
  544    H    ALA  68           H        ALA  68   7.312   3.390  10.614
  545    HA   ALA  68           HA       ALA  68   5.855   1.815   8.677
  546    HB1  ALA  68           HB1      ALA  68   7.356   3.679   8.063
  547    HB2  ALA  68           HB2      ALA  68   8.735   2.815   8.787
  548    HB3  ALA  68           HB3      ALA  68   7.927   2.149   7.353
  549    H    GLU  69           H        GLU  69   8.478   1.171  11.038
  550    HA   GLU  69           HA       GLU  69   9.367  -1.313   9.996
  551    HB2  GLU  69           HB2      GLU  69   9.374   0.061  12.689
  552    HB3  GLU  69           HB3      GLU  69   9.715  -1.671  12.613
  553    HG2  GLU  69           HG2      GLU  69  11.496  -1.223  10.917
  554    HG3  GLU  69           HG3      GLU  69  11.199   0.508  11.055
  555    H    ASP  70           H        ASP  70   6.811  -0.609  12.482
  556    HA   ASP  70           HA       ASP  70   6.321  -3.429  12.823
  557    HB2  ASP  70           HB2      ASP  70   4.543  -1.065  13.531
  558    HB3  ASP  70           HB3      ASP  70   4.413  -2.732  14.138
  559    H    ALA  71           H        ALA  71   4.666  -0.838  10.926
  560    HA   ALA  71           HA       ALA  71   2.502  -2.431  10.043
  561    HB1  ALA  71           HB1      ALA  71   2.653   0.053   9.815
  562    HB2  ALA  71           HB2      ALA  71   3.923  -0.150   8.593
  563    HB3  ALA  71           HB3      ALA  71   2.272  -0.754   8.279
  564    H    MET  72           H        MET  72   5.744  -1.858   8.566
  565    HA   MET  72           HA       MET  72   5.310  -3.457   6.250
  566    HB2  MET  72           HB2      MET  72   7.096  -1.836   6.375
  567    HB3  MET  72           HB3      MET  72   7.755  -2.585   7.837
  568    HG2  MET  72           HG2      MET  72   8.602  -4.434   6.705
  569    HG3  MET  72           HG3      MET  72   7.613  -4.146   5.261
  570    HE1  MET  72           HE1      MET  72  10.251  -2.316   7.550
  571    HE2  MET  72           HE2      MET  72  10.934  -1.125   6.400
  572    HE3  MET  72           HE3      MET  72   9.237  -1.006   6.899
  573    H    ASP  73           H        ASP  73   6.684  -4.235   9.473
  574    HA   ASP  73           HA       ASP  73   7.257  -6.960   8.811
  575    HB2  ASP  73           HB2      ASP  73   8.315  -5.672  10.666
  576    HB3  ASP  73           HB3      ASP  73   6.761  -5.660  11.519
  577    H    ALA  74           H        ALA  74   4.270  -5.407   9.115
  578    HA   ALA  74           HA       ALA  74   2.928  -7.971   9.803
  579    HB1  ALA  74           HB1      ALA  74   2.146  -5.141  10.605
  580    HB2  ALA  74           HB2      ALA  74   1.225  -6.617  10.976
  581    HB3  ALA  74           HB3      ALA  74   2.838  -6.369  11.681
  582    H    MET  75           H        MET  75   3.577  -6.086   7.231
  583    HA   MET  75           HA       MET  75   0.872  -6.547   6.067
  584    HB2  MET  75           HB2      MET  75   2.542  -4.024   5.994
  585    HB3  MET  75           HB3      MET  75   1.336  -4.361   4.769
  586    HG2  MET  75           HG2      MET  75   0.787  -4.193   7.756
  587    HG3  MET  75           HG3      MET  75   0.406  -2.959   6.561
  588    HE1  MET  75           HE1      MET  75  -0.390  -5.321   4.193
  589    HE2  MET  75           HE2      MET  75  -2.136  -5.019   4.266
  590    HE3  MET  75           HE3      MET  75  -0.990  -3.653   4.323
  591    H    ASP  76           H        ASP  76   4.375  -6.754   5.637
  592    HA   ASP  76           HA       ASP  76   4.336  -6.784   2.780
  593    HB2  ASP  76           HB2      ASP  76   6.373  -6.509   4.184
  594    HB3  ASP  76           HB3      ASP  76   6.253  -8.217   4.648
  595    H    GLY  77           H        GLY  77   3.234  -8.126   1.531
  596    HA2  GLY  77           HA2      GLY  77   2.415 -10.026   0.605
  597    HA3  GLY  77           HA3      GLY  77   3.506 -10.978   1.646
  598    H    ALA  78           H        ALA  78   1.118  -8.681   2.851
  599    HA   ALA  78           HA       ALA  78  -0.079 -10.781   4.502
  600    HB1  ALA  78           HB1      ALA  78  -0.555  -7.773   4.373
  601    HB2  ALA  78           HB2      ALA  78  -1.173  -8.868   5.632
  602    HB3  ALA  78           HB3      ALA  78   0.575  -8.605   5.464
  603    H    VAL  79           H        VAL  79  -0.676  -9.861   1.400
  604    HA   VAL  79           HA       VAL  79  -2.545  -9.597   0.082
  605    HB   VAL  79           HB       VAL  79  -2.216 -11.772  -0.367
  606   HG11  VAL  79          HG11      VAL  79  -1.412 -12.543   1.784
  607   HG12  VAL  79          HG12      VAL  79  -3.081 -12.563   2.434
  608   HG13  VAL  79          HG13      VAL  79  -2.606 -13.675   1.129
  609   HG21  VAL  79          HG21      VAL  79  -4.970 -12.132   0.732
  610   HG22  VAL  79          HG22      VAL  79  -4.552 -11.138  -0.701
  611   HG23  VAL  79          HG23      VAL  79  -4.174 -12.875  -0.668
  612    H    LEU  80           H        LEU  80  -3.240  -7.715   1.300
  613    HA   LEU  80           HA       LEU  80  -5.545  -7.984   3.023
  614    HB2  LEU  80           HB2      LEU  80  -5.732  -5.555   2.853
  615    HB3  LEU  80           HB3      LEU  80  -4.088  -6.071   3.211
  616    HG   LEU  80           HG       LEU  80  -3.522  -5.780   0.781
  617   HD11  LEU  80          HD11      LEU  80  -6.276  -4.490   0.669
  618   HD12  LEU  80          HD12      LEU  80  -4.987  -4.208  -0.525
  619   HD13  LEU  80          HD13      LEU  80  -5.659  -5.821  -0.357
  620   HD21  LEU  80          HD21      LEU  80  -3.013  -4.049   2.474
  621   HD22  LEU  80          HD22      LEU  80  -3.430  -3.302   0.919
  622   HD23  LEU  80          HD23      LEU  80  -4.626  -3.332   2.226
  623    H    ASP  81           H        ASP  81  -5.366  -8.667  -0.249
  624    HA   ASP  81           HA       ASP  81  -8.276  -8.102  -0.493
  625    HB2  ASP  81           HB2      ASP  81  -7.122  -6.346  -1.743
  626    HB3  ASP  81           HB3      ASP  81  -6.192  -7.564  -2.632
  627    H    GLY  82           H        GLY  82  -5.536  -9.724  -2.217
  628    HA2  GLY  82           HA2      GLY  82  -6.109 -12.304  -1.679
  629    HA3  GLY  82           HA3      GLY  82  -7.280 -11.960  -2.993
  630    H    ARG  83           H        ARG  83  -4.042 -10.550  -2.667
  631    HA   ARG  83           HA       ARG  83  -2.893 -12.484  -4.618
  632    HB2  ARG  83           HB2      ARG  83  -1.785 -10.473  -5.727
  633    HB3  ARG  83           HB3      ARG  83  -3.493 -10.737  -6.099
  634    HG2  ARG  83           HG2      ARG  83  -4.216  -8.930  -4.763
  635    HG3  ARG  83           HG3      ARG  83  -2.681  -8.806  -3.892
  636    HD2  ARG  83           HD2      ARG  83  -2.919  -7.019  -5.583
  637    HD3  ARG  83           HD3      ARG  83  -1.529  -8.057  -5.895
  638    HE   ARG  83           HE       ARG  83  -4.149  -8.470  -7.295
  639   HH11  ARG  83          HH11      ARG  83  -0.644  -7.974  -7.454
  640   HH12  ARG  83          HH12      ARG  83  -0.575  -8.277  -9.176
  641   HH21  ARG  83          HH21      ARG  83  -4.021  -8.834  -9.519
  642   HH22  ARG  83          HH22      ARG  83  -2.471  -8.743 -10.336
  643    H    GLU  84           H        GLU  84  -2.310  -9.751  -2.438
  644    HA   GLU  84           HA       GLU  84  -0.659 -10.449  -0.555
  645    HB2  GLU  84           HB2      GLU  84   0.797 -10.975  -3.068
  646    HB3  GLU  84           HB3      GLU  84   1.673  -9.953  -1.911
  647    HG2  GLU  84           HG2      GLU  84   1.369 -11.554  -0.122
  648    HG3  GLU  84           HG3      GLU  84   0.344 -12.567  -1.120
  649    H    LEU  85           H        LEU  85   0.875  -8.729   0.122
  650    HA   LEU  85           HA       LEU  85   0.568  -6.178  -1.388
  651    HB2  LEU  85           HB2      LEU  85  -0.522  -6.777   1.116
  652    HB3  LEU  85           HB3      LEU  85   1.000  -6.001   1.537
  653    HG   LEU  85           HG       LEU  85  -0.973  -4.493   1.429
  654   HD11  LEU  85          HD11      LEU  85   0.104  -2.681   0.252
  655   HD12  LEU  85          HD12      LEU  85   1.354  -3.650   1.067
  656   HD13  LEU  85          HD13      LEU  85   1.090  -3.813  -0.692
  657   HD21  LEU  85          HD21      LEU  85  -2.021  -5.653  -0.601
  658   HD22  LEU  85          HD22      LEU  85  -2.001  -3.872  -0.658
  659   HD23  LEU  85          HD23      LEU  85  -0.830  -4.795  -1.603
  660    H    ARG  86           H        ARG  86   2.535  -4.701  -0.804
  661    HA   ARG  86           HA       ARG  86   4.897  -6.320  -0.004
  662    HB2  ARG  86           HB2      ARG  86   4.660  -4.651  -2.542
  663    HB3  ARG  86           HB3      ARG  86   6.163  -5.358  -1.932
  664    HG2  ARG  86           HG2      ARG  86   3.693  -6.960  -2.724
  665    HG3  ARG  86           HG3      ARG  86   5.111  -6.709  -3.754
  666    HD2  ARG  86           HD2      ARG  86   6.553  -7.879  -2.195
  667    HD3  ARG  86           HD3      ARG  86   5.277  -7.946  -0.978
  668    HE   ARG  86           HE       ARG  86   4.288  -9.741  -2.044
  669   HH11  ARG  86          HH11      ARG  86   6.713  -8.357  -4.205
  670   HH12  ARG  86          HH12      ARG  86   6.666  -9.725  -5.301
  671   HH21  ARG  86          HH21      ARG  86   4.293 -11.494  -3.415
  672   HH22  ARG  86          HH22      ARG  86   5.259 -11.499  -4.875
  673    H    VAL  87           H        VAL  87   6.264  -5.238   1.250
  674    HA   VAL  87           HA       VAL  87   5.947  -2.294   1.415
  675    HB   VAL  87           HB       VAL  87   5.984  -4.113   3.853
  676   HG11  VAL  87          HG11      VAL  87   5.455  -1.160   3.344
  677   HG12  VAL  87          HG12      VAL  87   5.131  -1.956   4.898
  678   HG13  VAL  87          HG13      VAL  87   6.790  -1.905   4.250
  679   HG21  VAL  87          HG21      VAL  87   3.914  -4.660   2.765
  680   HG22  VAL  87          HG22      VAL  87   3.567  -3.567   4.110
  681   HG23  VAL  87          HG23      VAL  87   3.553  -2.959   2.433
  682    H    GLN  88           H        GLN  88   7.728  -1.218   1.717
  683    HA   GLN  88           HA       GLN  88  10.190  -2.255   2.834
  684    HB2  GLN  88           HB2      GLN  88  11.440  -2.066   0.648
  685    HB3  GLN  88           HB3      GLN  88  10.391  -3.493   0.802
  686    HG2  GLN  88           HG2      GLN  88   8.673  -2.476  -0.575
  687    HG3  GLN  88           HG3      GLN  88   9.566  -0.948  -0.644
  688   HE21  GLN  88          HE22      GLN  88   8.692  -2.444  -2.925
  689   HE22  GLN  88          HE21      GLN  88  10.111  -3.003  -3.783
  690    H    MET  89           H        MET  89  11.704  -0.628   3.125
  691    HA   MET  89           HA       MET  89  10.887   2.027   3.332
  692    HB2  MET  89           HB2      MET  89  13.610   0.739   3.029
  693    HB3  MET  89           HB3      MET  89  13.392   2.470   3.381
  694    HG2  MET  89           HG2      MET  89  11.998   0.323   5.000
  695    HG3  MET  89           HG3      MET  89  13.636   0.836   5.395
  696    HE1  MET  89           HE1      MET  89  10.503   1.022   6.886
  697    HE2  MET  89           HE2      MET  89  12.054   1.066   7.756
  698    HE3  MET  89           HE3      MET  89  10.872   2.386   7.965
  699    H    ALA  90           H        ALA  90  10.946   3.804   2.069
  700    HA   ALA  90           HA       ALA  90  10.880   3.445  -0.813
  701    HB1  ALA  90           HB1      ALA  90  10.610   5.936   0.920
  702    HB2  ALA  90           HB2      ALA  90  10.178   5.786  -0.811
  703    HB3  ALA  90           HB3      ALA  90   9.279   4.885   0.417
  704    H    ARG  91           H        ARG  91  13.517   3.637   1.138
  705    HA   ARG  91           HA       ARG  91  15.680   4.227   0.858
  706    HB2  ARG  91           HB2      ARG  91  15.283   3.104  -1.332
  707    HB3  ARG  91           HB3      ARG  91  14.978   4.687  -2.058
  708    HG2  ARG  91           HG2      ARG  91  17.483   4.732  -0.558
  709    HG3  ARG  91           HG3      ARG  91  17.472   3.378  -1.696
  710    HD2  ARG  91           HD2      ARG  91  16.897   4.849  -3.544
  711    HD3  ARG  91           HD3      ARG  91  16.759   6.244  -2.458
  712    HE   ARG  91           HE       ARG  91  19.214   5.016  -3.493
  713   HH11  ARG  91          HH11      ARG  91  17.827   7.056  -0.959
  714   HH12  ARG  91          HH12      ARG  91  19.340   7.862  -0.615
  715   HH21  ARG  91          HH21      ARG  91  21.169   6.066  -3.022
  716   HH22  ARG  91          HH22      ARG  91  21.239   7.291  -1.779
  717    H    TYR  92           H        TYR  92  13.513   6.300   1.412
  718    HA   TYR  92           HA       TYR  92  15.216   8.692   0.873
  719    HB2  TYR  92           HB2      TYR  92  12.184   8.657   1.001
  720    HB3  TYR  92           HB3      TYR  92  13.227  10.005   0.555
  721    HD1  TYR  92           HD2      TYR  92  15.022   9.047  -1.465
  722    HD2  TYR  92           HD1      TYR  92  10.927   7.939  -0.762
  723    HE1  TYR  92           HE2      TYR  92  14.797   8.393  -3.848
  724    HE2  TYR  92           HE1      TYR  92  10.707   7.221  -3.126
  725    HH   TYR  92           HH       TYR  92  11.737   7.067  -5.167
  726    H    GLY  93           H        GLY  93  14.456  10.542   2.434
  727    HA2  GLY  93           HA2      GLY  93  13.147  10.123   4.845
  728    HA3  GLY  93           HA3      GLY  93  14.817   9.580   5.125
  729    H    ARG  94           H        ARG  94  15.475  11.769   2.901
  730    HA   ARG  94           HA       ARG  94  16.424  13.765   4.666
  731    HB2  ARG  94           HB2      ARG  94  17.202  13.214   2.307
  732    HB3  ARG  94           HB3      ARG  94  15.748  14.030   1.705
  733    HG2  ARG  94           HG2      ARG  94  17.499  15.626   1.570
  734    HG3  ARG  94           HG3      ARG  94  16.550  16.101   2.987
  735    HD2  ARG  94           HD2      ARG  94  18.212  14.873   4.435
  736    HD3  ARG  94           HD3      ARG  94  19.150  14.498   2.976
  737    HE   ARG  94           HE       ARG  94  18.731  17.309   3.099
  738   HH11  ARG  94          HH11      ARG  94  20.503  14.753   4.784
  739   HH12  ARG  94          HH12      ARG  94  21.767  15.831   5.326
  740   HH21  ARG  94          HH21      ARG  94  20.418  18.684   3.800
  741   HH22  ARG  94          HH22      ARG  94  21.728  18.043   4.755
  742    HA   PRO  95           HA       PRO  95  12.587  15.989   5.304
  743    HB2  PRO  95           HB2      PRO  95  13.552  18.237   6.531
  744    HB3  PRO  95           HB3      PRO  95  13.526  16.633   7.334
  745    HG2  PRO  95           HG2      PRO  95  15.831  17.966   5.888
  746    HG3  PRO  95           HG3      PRO  95  15.843  17.199   7.511
  747    HD2  PRO  95           HD2      PRO  95  16.674  15.886   5.277
  748    HD3  PRO  95           HD3      PRO  95  15.789  15.031   6.581
  749    HA   PRO  96           HA       PRO  96  12.339  18.847   1.911
  750    HB2  PRO  96           HB2      PRO  96  10.348  20.545   2.653
  751    HB3  PRO  96           HB3      PRO  96  10.047  18.809   2.340
  752    HG2  PRO  96           HG2      PRO  96  10.526  20.141   5.024
  753    HG3  PRO  96           HG3      PRO  96   9.186  19.038   4.568
  754    HD2  PRO  96           HD2      PRO  96  11.427  18.150   5.845
  755    HD3  PRO  96           HD3      PRO  96  10.637  17.157   4.579
  756    H    ASP  97           H        ASP  97  12.393  21.247   1.367
  757    HA   ASP  97           HA       ASP  97  13.596  23.002   3.379
  758    HB2  ASP  97           HB2      ASP  97  15.498  21.629   2.486
  759    HB3  ASP  97           HB3      ASP  97  15.100  22.202   0.857
  760    H    SER  98           H        SER  98  13.972  25.205   2.411
  761    HA   SER  98           HA       SER  98  12.994  27.054   1.548
  762    HB2  SER  98           HB2      SER  98  12.955  25.371  -0.985
  763    HB3  SER  98           HB3      SER  98  12.875  27.143  -0.898
  764    HG   SER  98           HG       SER  98  14.995  26.375  -1.269
  765    H    HIS  99           H        HIS  99  11.111  24.854   2.581
  766    HA   HIS  99           HA       HIS  99   8.641  26.205   1.747
  767    HB2  HIS  99           HB2      HIS  99   8.950  24.434   0.036
  768    HB3  HIS  99           HB3      HIS  99   9.116  23.229   1.321
  769    HD2  HIS  99           HD2      HIS  99   6.437  25.794   0.071
  770    HE1  HIS  99           HE1      HIS  99   4.374  22.442   1.680
  771    HE2  HIS  99           HE2      HIS  99   4.105  24.692   0.508
  772    H    HIS 100           H        HIS 100   6.810  25.557   3.131
  773    HA   HIS 100           HA       HIS 100   7.378  23.968   5.523
  774    HB2  HIS 100           HB2      HIS 100   8.366  26.197   6.042
  775    HB3  HIS 100           HB3      HIS 100   6.813  26.957   5.693
  776    HD2  HIS 100           HD2      HIS 100   5.853  27.717   7.958
  777    HE1  HIS 100           HE1      HIS 100   6.556  24.215  10.267
  778    HE2  HIS 100           HE2      HIS 100   5.521  26.548  10.276
  779    H    SER 101           H        SER 101   5.397  23.870   6.930
  780    HA   SER 101           HA       SER 101   2.848  24.526   5.578
  781    HB2  SER 101           HB2      SER 101   3.669  21.707   6.393
  782    HB3  SER 101           HB3      SER 101   2.057  22.203   5.841
  783    HG   SER 101           HG       SER 101   3.381  21.325   4.161
  Start of MODEL   12
    1    H    MET   1           H1       MET   1  20.173  -9.601 -17.345
    2    HA   MET   1           HA       MET   1  17.424  -8.623 -17.692
    3    HB2  MET   1           HB2      MET   1  18.507 -11.447 -17.358
    4    HB3  MET   1           HB3      MET   1  16.816 -10.992 -17.124
    5    HG2  MET   1           HG2      MET   1  17.037 -11.838 -19.350
    6    HG3  MET   1           HG3      MET   1  16.750 -10.098 -19.445
    7    HE1  MET   1           HE1      MET   1  17.392 -10.139 -21.972
    8    HE2  MET   1           HE2      MET   1  18.909 -10.823 -22.614
    9    HE3  MET   1           HE3      MET   1  17.687 -11.890 -21.882
   10    H    SER   2           H        SER   2  16.547  -7.848 -15.883
   11    HA   SER   2           HA       SER   2  17.200  -8.989 -13.275
   12    HB2  SER   2           HB2      SER   2  17.881  -6.831 -12.309
   13    HB3  SER   2           HB3      SER   2  19.013  -7.336 -13.580
   14    HG   SER   2           HG       SER   2  18.390  -5.139 -13.772
   15    H    TYR   3           H        TYR   3  15.983  -7.478 -11.553
   16    HA   TYR   3           HA       TYR   3  13.430  -6.464 -12.638
   17    HB2  TYR   3           HB2      TYR   3  12.148  -7.966 -11.138
   18    HB3  TYR   3           HB3      TYR   3  13.041  -8.858 -12.364
   19    HD1  TYR   3           HD2      TYR   3  12.855  -8.045  -8.752
   20    HD2  TYR   3           HD1      TYR   3  14.906 -10.305 -11.789
   21    HE1  TYR   3           HE2      TYR   3  13.928  -9.422  -7.001
   22    HE2  TYR   3           HE1      TYR   3  15.991 -11.681 -10.033
   23    HH   TYR   3           HH       TYR   3  16.215 -12.068  -7.779
   24    H    GLY   4           H        GLY   4  15.929  -6.522 -10.259
   25    HA2  GLY   4           HA2      GLY   4  16.039  -4.355  -8.968
   26    HA3  GLY   4           HA3      GLY   4  14.385  -4.704  -8.447
   27    H    ARG   5           H        ARG   5  15.715  -4.434  -6.323
   28    HA   ARG   5           HA       ARG   5  16.143  -7.165  -5.285
   29    HB2  ARG   5           HB2      ARG   5  18.159  -4.881  -5.128
   30    HB3  ARG   5           HB3      ARG   5  18.197  -6.257  -4.028
   31    HG2  ARG   5           HG2      ARG   5  18.497  -6.445  -7.056
   32    HG3  ARG   5           HG3      ARG   5  19.797  -6.518  -5.858
   33    HD2  ARG   5           HD2      ARG   5  18.689  -8.511  -4.820
   34    HD3  ARG   5           HD3      ARG   5  17.501  -8.501  -6.136
   35    HE   ARG   5           HE       ARG   5  20.341  -9.284  -6.264
   36   HH11  ARG   5          HH11      ARG   5  17.403  -8.513  -8.088
   37   HH12  ARG   5          HH12      ARG   5  17.930  -9.374  -9.517
   38   HH21  ARG   5          HH21      ARG   5  21.004 -10.362  -8.151
   39   HH22  ARG   5          HH22      ARG   5  19.968 -10.402  -9.557
   40    HA   PRO   6           HA       PRO   6  13.995  -5.332  -1.861
   41    HB2  PRO   6           HB2      PRO   6  14.809  -6.892   0.241
   42    HB3  PRO   6           HB3      PRO   6  13.780  -7.521  -1.080
   43    HG2  PRO   6           HG2      PRO   6  16.788  -7.732  -0.787
   44    HG3  PRO   6           HG3      PRO   6  15.618  -9.048  -1.144
   45    HD2  PRO   6           HD2      PRO   6  17.013  -7.791  -3.126
   46    HD3  PRO   6           HD3      PRO   6  15.312  -8.294  -3.363
   47    HA   PRO   7           HA       PRO   7  16.735  -2.494   0.186
   48    HB2  PRO   7           HB2      PRO   7  15.513  -2.053   2.600
   49    HB3  PRO   7           HB3      PRO   7  14.816  -1.487   1.049
   50    HG2  PRO   7           HG2      PRO   7  14.142  -4.007   2.594
   51    HG3  PRO   7           HG3      PRO   7  13.005  -2.802   1.911
   52    HD2  PRO   7           HD2      PRO   7  13.600  -5.095   0.577
   53    HD3  PRO   7           HD3      PRO   7  13.381  -3.554  -0.297
   54    HA   PRO   8           HA       PRO   8  19.372  -4.834   2.912
   55    HB2  PRO   8           HB2      PRO   8  21.044  -2.951   3.846
   56    HB3  PRO   8           HB3      PRO   8  20.833  -3.161   2.089
   57    HG2  PRO   8           HG2      PRO   8  19.425  -1.142   3.859
   58    HG3  PRO   8           HG3      PRO   8  20.349  -0.838   2.351
   59    HD2  PRO   8           HD2      PRO   8  17.613  -1.221   2.446
   60    HD3  PRO   8           HD3      PRO   8  18.619  -1.666   1.017
   61    H    ASP   9           H        ASP   9  20.319  -3.229   5.390
   62    HA   ASP   9           HA       ASP   9  18.298  -4.335   7.191
   63    HB2  ASP   9           HB2      ASP   9  20.901  -2.848   7.733
   64    HB3  ASP   9           HB3      ASP   9  19.919  -3.717   8.932
   65    H    VAL  10           H        VAL  10  18.676  -1.424   5.599
   66    HA   VAL  10           HA       VAL  10  17.969   0.702   5.831
   67    HB   VAL  10           HB       VAL  10  15.663   0.975   6.236
   68   HG11  VAL  10          HG11      VAL  10  14.778  -0.828   4.787
   69   HG12  VAL  10          HG12      VAL  10  16.364  -0.265   4.215
   70   HG13  VAL  10          HG13      VAL  10  16.224  -1.801   5.095
   71   HG21  VAL  10          HG21      VAL  10  15.455  -0.276   8.393
   72   HG22  VAL  10          HG22      VAL  10  14.212  -0.717   7.206
   73   HG23  VAL  10          HG23      VAL  10  15.586  -1.801   7.481
   74    H    GLU  11           H        GLU  11  19.540  -0.352   8.214
   75    HA   GLU  11           HA       GLU  11  18.590   1.082  10.511
   76    HB2  GLU  11           HB2      GLU  11  21.355   0.046   9.749
   77    HB3  GLU  11           HB3      GLU  11  20.921   0.682  11.351
   78    HG2  GLU  11           HG2      GLU  11  19.147  -1.053  11.535
   79    HG3  GLU  11           HG3      GLU  11  19.686  -1.737   9.989
   80    H    GLY  12           H        GLY  12  19.345   2.462   7.656
   81    HA2  GLY  12           HA2      GLY  12  20.463   4.896   8.923
   82    HA3  GLY  12           HA3      GLY  12  21.368   4.151   7.595
   83    H    MET  13           H        MET  13  17.862   3.915   7.477
   84    HA   MET  13           HA       MET  13  17.664   6.354   5.808
   85    HB2  MET  13           HB2      MET  13  16.797   5.230   3.925
   86    HB3  MET  13           HB3      MET  13  18.222   4.281   4.402
   87    HG2  MET  13           HG2      MET  13  16.727   2.712   5.612
   88    HG3  MET  13           HG3      MET  13  15.327   3.647   5.058
   89    HE1  MET  13           HE1      MET  13  18.537   2.878   2.824
   90    HE2  MET  13           HE2      MET  13  18.409   1.476   3.910
   91    HE3  MET  13           HE3      MET  13  18.084   1.292   2.168
   92    H    THR  14           H        THR  14  15.338   6.856   5.289
   93    HA   THR  14           HA       THR  14  13.341   5.613   7.082
   94    HB   THR  14           HB       THR  14  13.937   8.604   7.060
   95   HG21  THR  14          HG21      THR  14  12.321   8.555   9.033
   96   HG22  THR  14          HG22      THR  14  11.582   8.303   7.442
   97   HG23  THR  14          HG23      THR  14  11.865   6.914   8.508
   98    H    SER  15           H        SER  15  11.181   6.280   6.495
   99    HA   SER  15           HA       SER  15   9.488   7.086   5.032
  100    HB2  SER  15           HB2      SER  15  11.590   7.082   2.833
  101    HB3  SER  15           HB3      SER  15   9.882   7.508   2.681
  102    HG   SER  15           HG       SER  15  11.809   8.856   4.259
  103    H    LEU  16           H        LEU  16   8.068   5.668   4.513
  104    HA   LEU  16           HA       LEU  16   9.060   2.968   3.676
  105    HB2  LEU  16           HB2      LEU  16   7.540   3.262   5.682
  106    HB3  LEU  16           HB3      LEU  16   6.275   3.818   4.572
  107    HG   LEU  16           HG       LEU  16   6.408   1.615   3.382
  108   HD11  LEU  16          HD11      LEU  16   7.635  -0.235   4.457
  109   HD12  LEU  16          HD12      LEU  16   8.761   1.053   4.002
  110   HD13  LEU  16          HD13      LEU  16   8.265   0.865   5.694
  111   HD21  LEU  16          HD21      LEU  16   4.748   2.028   5.135
  112   HD22  LEU  16          HD22      LEU  16   5.283   0.336   5.152
  113   HD23  LEU  16          HD23      LEU  16   5.899   1.470   6.376
  114    H    LYS  17           H        LYS  17   7.967   1.885   1.945
  115    HA   LYS  17           HA       LYS  17   6.239   3.413   0.072
  116    HB2  LYS  17           HB2      LYS  17   8.236   3.532  -1.106
  117    HB3  LYS  17           HB3      LYS  17   8.841   2.015  -0.430
  118    HG2  LYS  17           HG2      LYS  17   8.431   1.680  -2.736
  119    HG3  LYS  17           HG3      LYS  17   7.190   0.777  -1.849
  120    HD2  LYS  17           HD2      LYS  17   5.620   2.705  -2.226
  121    HD3  LYS  17           HD3      LYS  17   6.893   3.495  -3.203
  122    HE2  LYS  17           HE2      LYS  17   5.542   0.855  -3.793
  123    HE3  LYS  17           HE3      LYS  17   5.298   2.383  -4.652
  124    HZ1  LYS  17           HZ1      LYS  17   7.582   2.319  -5.340
  125    HZ2  LYS  17           HZ2      LYS  17   7.852   0.929  -4.493
  126    HZ3  LYS  17           HZ3      LYS  17   6.832   0.908  -5.773
  127    H    VAL  18           H        VAL  18   4.549   2.141  -0.645
  128    HA   VAL  18           HA       VAL  18   4.652  -0.810  -0.099
  129    HB   VAL  18           HB       VAL  18   2.561   1.250   0.535
  130   HG11  VAL  18          HG11      VAL  18   1.337  -0.406  -0.819
  131   HG12  VAL  18          HG12      VAL  18   2.070  -1.732   0.115
  132   HG13  VAL  18          HG13      VAL  18   0.919  -0.610   0.882
  133   HG21  VAL  18          HG21      VAL  18   4.184   0.501   2.265
  134   HG22  VAL  18          HG22      VAL  18   2.519   0.037   2.679
  135   HG23  VAL  18          HG23      VAL  18   3.654  -1.172   2.017
  136    H    ASP  19           H        ASP  19   3.723  -2.091  -1.543
  137    HA   ASP  19           HA       ASP  19   3.022  -1.031  -4.242
  138    HB2  ASP  19           HB2      ASP  19   5.031  -3.169  -3.420
  139    HB3  ASP  19           HB3      ASP  19   4.472  -2.919  -5.077
  140    H    ASN  20           H        ASN  20   2.503  -3.015  -5.652
  141    HA   ASN  20           HA       ASN  20   1.226  -4.709  -6.286
  142    HB2  ASN  20           HB2      ASN  20   2.601  -5.911  -4.511
  143    HB3  ASN  20           HB3      ASN  20   1.132  -5.839  -3.522
  144   HD21  ASN  20          HD22      ASN  20   1.031  -8.199  -3.677
  145   HD22  ASN  20          HD21      ASN  20   0.398  -8.960  -5.127
  146    H    LEU  21           H        LEU  21  -0.702  -4.213  -6.977
  147    HA   LEU  21           HA       LEU  21  -2.931  -3.854  -5.038
  148    HB2  LEU  21           HB2      LEU  21  -2.515  -2.218  -7.560
  149    HB3  LEU  21           HB3      LEU  21  -3.784  -2.004  -6.341
  150    HG   LEU  21           HG       LEU  21  -0.809  -1.508  -5.974
  151   HD11  LEU  21          HD11      LEU  21  -3.202   0.377  -6.205
  152   HD12  LEU  21          HD12      LEU  21  -1.501   0.856  -5.976
  153   HD13  LEU  21          HD13      LEU  21  -2.002   0.065  -7.479
  154   HD21  LEU  21          HD21      LEU  21  -2.254  -2.217  -3.889
  155   HD22  LEU  21          HD22      LEU  21  -1.201  -0.804  -3.800
  156   HD23  LEU  21          HD23      LEU  21  -2.957  -0.587  -4.062
  157    H    THR  22           H        THR  22  -5.057  -3.955  -6.206
  158    HA   THR  22           HA       THR  22  -4.938  -5.725  -8.604
  159    HB   THR  22           HB       THR  22  -5.668  -6.973  -6.638
  160   HG21  THR  22          HG21      THR  22  -7.878  -4.883  -6.444
  161   HG22  THR  22          HG22      THR  22  -7.909  -6.456  -5.623
  162   HG23  THR  22          HG23      THR  22  -6.649  -5.281  -5.216
  163    H    TYR  23           H        TYR  23  -5.018  -2.790  -8.536
  164    HA   TYR  23           HA       TYR  23  -5.991  -1.145  -9.720
  165    HB2  TYR  23           HB2      TYR  23  -6.490  -2.019 -11.691
  166    HB3  TYR  23           HB3      TYR  23  -6.888  -3.572 -10.976
  167    HD1  TYR  23           HD1      TYR  23  -9.261  -3.905  -9.987
  168    HD2  TYR  23           HD2      TYR  23  -8.179  -0.707 -12.654
  169    HE1  TYR  23           HE1      TYR  23 -11.646  -3.610 -10.586
  170    HE2  TYR  23           HE2      TYR  23 -10.581  -0.396 -13.255
  171    HH   TYR  23           HH       TYR  23 -13.160  -2.432 -11.833
  172    H    ARG  24           H        ARG  24  -7.562  -2.767  -7.320
  173    HA   ARG  24           HA       ARG  24  -9.621  -0.624  -7.059
  174    HB2  ARG  24           HB2      ARG  24 -10.618  -2.600  -8.099
  175    HB3  ARG  24           HB3      ARG  24 -10.039  -3.620  -6.782
  176    HG2  ARG  24           HG2      ARG  24 -11.532  -2.468  -5.198
  177    HG3  ARG  24           HG3      ARG  24 -11.974  -1.277  -6.450
  178    HD2  ARG  24           HD2      ARG  24 -12.934  -3.088  -7.825
  179    HD3  ARG  24           HD3      ARG  24 -12.492  -4.271  -6.575
  180    HE   ARG  24           HE       ARG  24 -14.063  -2.237  -5.366
  181   HH11  ARG  24          HH11      ARG  24 -14.422  -4.854  -7.722
  182   HH12  ARG  24          HH12      ARG  24 -16.105  -5.113  -7.346
  183   HH21  ARG  24          HH21      ARG  24 -16.267  -2.595  -4.903
  184   HH22  ARG  24          HH22      ARG  24 -17.144  -3.844  -5.754
  185    H    THR  25           H        THR  25  -6.964  -2.099  -5.728
  186    HA   THR  25           HA       THR  25  -7.650  -2.363  -2.981
  187    HB   THR  25           HB       THR  25  -5.053  -1.495  -4.317
  188   HG21  THR  25          HG21      THR  25  -5.643  -2.441  -1.486
  189   HG22  THR  25          HG22      THR  25  -4.008  -2.330  -2.197
  190   HG23  THR  25          HG23      THR  25  -4.982  -0.858  -1.990
  191    H    SER  26           H        SER  26  -6.618   0.468  -4.882
  192    HA   SER  26           HA       SER  26  -6.688   2.662  -4.578
  193    HB2  SER  26           HB2      SER  26  -9.008   1.912  -2.768
  194    HB3  SER  26           HB3      SER  26  -8.680   3.561  -3.329
  195    HG   SER  26           HG       SER  26  -8.908   2.838  -5.451
  196    HA   PRO  27           HA       PRO  27  -4.220   4.179  -1.261
  197    HB2  PRO  27           HB2      PRO  27  -5.009   6.827  -1.211
  198    HB3  PRO  27           HB3      PRO  27  -3.891   6.111  -2.415
  199    HG2  PRO  27           HG2      PRO  27  -6.840   6.704  -2.672
  200    HG3  PRO  27           HG3      PRO  27  -5.544   6.937  -3.884
  201    HD2  PRO  27           HD2      PRO  27  -7.262   4.820  -3.935
  202    HD3  PRO  27           HD3      PRO  27  -5.573   4.667  -4.464
  203    H    ASP  28           H        ASP  28  -7.747   4.630  -1.078
  204    HA   ASP  28           HA       ASP  28  -7.738   5.690   1.598
  205    HB2  ASP  28           HB2      ASP  28  -9.523   5.881  -0.189
  206    HB3  ASP  28           HB3      ASP  28  -9.893   4.164   0.133
  207    H    THR  29           H        THR  29  -8.150   2.367   0.223
  208    HA   THR  29           HA       THR  29  -8.766   1.176   2.771
  209    HB   THR  29           HB       THR  29  -7.437  -0.135   0.372
  210   HG21  THR  29          HG21      THR  29  -9.273  -1.191   2.568
  211   HG22  THR  29          HG22      THR  29  -8.696  -2.136   1.178
  212   HG23  THR  29          HG23      THR  29  -7.538  -1.532   2.390
  213    H    LEU  30           H        LEU  30  -5.806   1.635   0.810
  214    HA   LEU  30           HA       LEU  30  -4.007   0.303   2.554
  215    HB2  LEU  30           HB2      LEU  30  -3.613   2.713   0.726
  216    HB3  LEU  30           HB3      LEU  30  -2.303   1.772   1.437
  217    HG   LEU  30           HG       LEU  30  -4.418   0.509  -0.344
  218   HD11  LEU  30          HD11      LEU  30  -2.762   0.717  -2.164
  219   HD12  LEU  30          HD12      LEU  30  -3.283   2.309  -1.577
  220   HD13  LEU  30          HD13      LEU  30  -1.697   1.663  -1.091
  221   HD21  LEU  30          HD21      LEU  30  -1.609  -0.313   0.485
  222   HD22  LEU  30          HD22      LEU  30  -3.132  -1.036   1.077
  223   HD23  LEU  30          HD23      LEU  30  -2.666  -1.211  -0.628
  224    H    ARG  31           H        ARG  31  -5.497   3.552   2.657
  225    HA   ARG  31           HA       ARG  31  -3.628   4.732   4.396
  226    HB2  ARG  31           HB2      ARG  31  -5.777   5.665   3.087
  227    HB3  ARG  31           HB3      ARG  31  -6.587   5.349   4.618
  228    HG2  ARG  31           HG2      ARG  31  -4.267   7.223   4.045
  229    HG3  ARG  31           HG3      ARG  31  -5.884   7.633   4.645
  230    HD2  ARG  31           HD2      ARG  31  -5.321   6.368   6.765
  231    HD3  ARG  31           HD3      ARG  31  -3.681   6.167   6.138
  232    HE   ARG  31           HE       ARG  31  -3.252   8.466   6.424
  233   HH11  ARG  31          HH11      ARG  31  -6.571   7.657   7.335
  234   HH12  ARG  31          HH12      ARG  31  -6.825   9.164   8.186
  235   HH21  ARG  31          HH21      ARG  31  -3.622  10.425   7.512
  236   HH22  ARG  31          HH22      ARG  31  -5.174  10.733   8.260
  237    H    ARG  32           H        ARG  32  -6.786   3.199   5.182
  238    HA   ARG  32           HA       ARG  32  -6.129   3.267   8.038
  239    HB2  ARG  32           HB2      ARG  32  -8.360   2.304   8.332
  240    HB3  ARG  32           HB3      ARG  32  -8.409   3.633   7.163
  241    HG2  ARG  32           HG2      ARG  32  -7.941   1.519   5.477
  242    HG3  ARG  32           HG3      ARG  32  -8.888   0.720   6.756
  243    HD2  ARG  32           HD2      ARG  32 -10.591   2.557   6.527
  244    HD3  ARG  32           HD3      ARG  32  -9.597   3.234   5.215
  245    HE   ARG  32           HE       ARG  32 -10.460   0.428   4.896
  246   HH11  ARG  32          HH11      ARG  32 -11.076   3.823   4.169
  247   HH12  ARG  32          HH12      ARG  32 -12.025   3.482   2.747
  248   HH21  ARG  32          HH21      ARG  32 -11.718  -0.020   3.046
  249   HH22  ARG  32          HH22      ARG  32 -12.409   1.293   2.123
  250    H    VAL  33           H        VAL  33  -5.347   1.106   5.534
  251    HA   VAL  33           HA       VAL  33  -5.137  -1.255   7.285
  252    HB   VAL  33           HB       VAL  33  -4.513  -0.570   4.409
  253   HG11  VAL  33          HG11      VAL  33  -3.716  -3.128   5.855
  254   HG12  VAL  33          HG12      VAL  33  -3.755  -2.925   4.088
  255   HG13  VAL  33          HG13      VAL  33  -2.625  -1.963   5.066
  256   HG21  VAL  33          HG21      VAL  33  -6.835  -1.227   5.155
  257   HG22  VAL  33          HG22      VAL  33  -6.125  -2.405   4.027
  258   HG23  VAL  33          HG23      VAL  33  -6.163  -2.740   5.782
  259    H    PHE  34           H        PHE  34  -3.244   1.550   6.600
  260    HA   PHE  34           HA       PHE  34  -0.802   0.148   7.645
  261    HB2  PHE  34           HB2      PHE  34  -1.231   2.130   5.411
  262    HB3  PHE  34           HB3      PHE  34   0.292   2.131   6.273
  263    HD1  PHE  34           HD2      PHE  34   1.656   0.070   6.461
  264    HD2  PHE  34           HD1      PHE  34  -1.620   0.457   3.723
  265    HE1  PHE  34           HE2      PHE  34   2.567  -1.822   5.111
  266    HE2  PHE  34           HE1      PHE  34  -0.707  -1.383   2.348
  267    HZ   PHE  34           HZ       PHE  34   1.389  -2.557   3.073
  268    H    GLU  35           H        GLU  35  -2.678   3.229   7.604
  269    HA   GLU  35           HA       GLU  35  -0.854   4.424   9.381
  270    HB2  GLU  35           HB2      GLU  35  -2.357   6.245   9.531
  271    HB3  GLU  35           HB3      GLU  35  -2.695   5.524   7.955
  272    HG2  GLU  35           HG2      GLU  35  -4.820   5.906   8.779
  273    HG3  GLU  35           HG3      GLU  35  -4.550   4.199   9.177
  274    H    LYS  36           H        LYS  36  -3.164   1.959   9.797
  275    HA   LYS  36           HA       LYS  36  -4.164   2.439  12.377
  276    HB2  LYS  36           HB2      LYS  36  -4.706   0.049  12.362
  277    HB3  LYS  36           HB3      LYS  36  -5.032   0.768  10.771
  278    HG2  LYS  36           HG2      LYS  36  -2.714  -0.076  10.060
  279    HG3  LYS  36           HG3      LYS  36  -2.686  -0.982  11.586
  280    HD2  LYS  36           HD2      LYS  36  -4.579  -1.318   9.245
  281    HD3  LYS  36           HD3      LYS  36  -3.410  -2.486   9.887
  282    HE2  LYS  36           HE2      LYS  36  -4.766  -2.449  12.049
  283    HE3  LYS  36           HE3      LYS  36  -5.983  -1.500  11.149
  284    HZ1  LYS  36           HZ1      LYS  36  -6.476  -3.859  11.138
  285    HZ2  LYS  36           HZ2      LYS  36  -6.181  -3.314   9.612
  286    HZ3  LYS  36           HZ3      LYS  36  -5.046  -4.191  10.416
  287    H    TYR  37           H        TYR  37  -1.080   1.049  11.275
  288    HA   TYR  37           HA       TYR  37  -0.403   0.044  13.874
  289    HB2  TYR  37           HB2      TYR  37   1.293   0.676  11.424
  290    HB3  TYR  37           HB3      TYR  37   1.882  -0.176  12.854
  291    HD1  TYR  37           HD1      TYR  37   1.135  -2.438  13.388
  292    HD2  TYR  37           HD2      TYR  37  -0.244  -0.419   9.842
  293    HE1  TYR  37           HE1      TYR  37   0.285  -4.590  12.501
  294    HE2  TYR  37           HE2      TYR  37  -1.074  -2.552   8.943
  295    HH   TYR  37           HH       TYR  37  -1.331  -4.791   9.297
  296    H    GLY  38           H        GLY  38  -0.224   3.160  12.319
  297    HA2  GLY  38           HA2      GLY  38   0.447   4.460  14.786
  298    HA3  GLY  38           HA3      GLY  38   1.864   4.416  13.718
  299    H    ARG  39           H        ARG  39   1.343   5.121  11.338
  300    HA   ARG  39           HA       ARG  39  -0.925   6.806  10.876
  301    HB2  ARG  39           HB2      ARG  39   0.821   8.134  12.448
  302    HB3  ARG  39           HB3      ARG  39   1.674   8.355  10.915
  303    HG2  ARG  39           HG2      ARG  39   0.231  10.265  11.425
  304    HG3  ARG  39           HG3      ARG  39  -0.345   9.457   9.957
  305    HD2  ARG  39           HD2      ARG  39  -2.102   8.341  11.187
  306    HD3  ARG  39           HD3      ARG  39  -1.427   8.876  12.739
  307    HE   ARG  39           HE       ARG  39  -1.876  11.253  11.563
  308   HH11  ARG  39          HH11      ARG  39  -3.998   8.408  11.757
  309   HH12  ARG  39          HH12      ARG  39  -5.450   9.374  11.779
  310   HH21  ARG  39          HH21      ARG  39  -3.786  12.450  11.562
  311   HH22  ARG  39          HH22      ARG  39  -5.339  11.650  11.646
  312    H    VAL  40           H        VAL  40  -0.678   8.011   8.785
  313    HA   VAL  40           HA       VAL  40   1.374   6.818   7.006
  314    HB   VAL  40           HB       VAL  40  -1.624   7.070   6.575
  315   HG11  VAL  40          HG11      VAL  40   0.571   6.576   4.532
  316   HG12  VAL  40          HG12      VAL  40  -1.159   6.281   4.254
  317   HG13  VAL  40          HG13      VAL  40  -0.576   7.945   4.527
  318   HG21  VAL  40          HG21      VAL  40  -0.437   4.943   7.522
  319   HG22  VAL  40          HG22      VAL  40  -1.550   4.739   6.131
  320   HG23  VAL  40          HG23      VAL  40   0.206   4.763   5.886
  321    H    GLY  41           H        GLY  41   2.660   8.534   6.921
  322    HA2  GLY  41           HA2      GLY  41   1.915  11.264   6.850
  323    HA3  GLY  41           HA3      GLY  41   3.447  10.574   6.256
  324    H    ASP  42           H        ASP  42   2.013   8.815   4.273
  325    HA   ASP  42           HA       ASP  42   0.793  10.676   2.353
  326    HB2  ASP  42           HB2      ASP  42   3.553   9.418   2.080
  327    HB3  ASP  42           HB3      ASP  42   2.615   9.899   0.667
  328    H    VAL  43           H        VAL  43  -0.484   9.520   0.894
  329    HA   VAL  43           HA       VAL  43   0.047   6.669   0.495
  330    HB   VAL  43           HB       VAL  43  -1.591   7.232   2.557
  331   HG11  VAL  43          HG11      VAL  43  -3.515   6.929   0.242
  332   HG12  VAL  43          HG12      VAL  43  -3.917   6.902   1.969
  333   HG13  VAL  43          HG13      VAL  43  -3.294   8.400   1.245
  334   HG21  VAL  43          HG21      VAL  43  -0.860   5.068   2.192
  335   HG22  VAL  43          HG22      VAL  43  -2.607   4.995   2.228
  336   HG23  VAL  43          HG23      VAL  43  -1.782   4.913   0.649
  337    H    TYR  44           H        TYR  44   0.071   6.528  -1.684
  338    HA   TYR  44           HA       TYR  44  -2.235   7.552  -3.160
  339    HB2  TYR  44           HB2      TYR  44  -1.205   9.132  -4.480
  340    HB3  TYR  44           HB3      TYR  44  -0.518   9.489  -2.903
  341    HD1  TYR  44           HD2      TYR  44   0.108   8.207  -6.270
  342    HD2  TYR  44           HD1      TYR  44   1.872   8.971  -2.432
  343    HE1  TYR  44           HE2      TYR  44   2.355   7.987  -7.278
  344    HE2  TYR  44           HE1      TYR  44   4.139   8.832  -3.439
  345    HH   TYR  44           HH       TYR  44   5.347   8.479  -5.356
  346    H    ILE  45           H        ILE  45  -2.059   7.051  -5.535
  347    HA   ILE  45           HA       ILE  45  -0.434   4.594  -5.972
  348    HB   ILE  45           HB       ILE  45  -3.323   5.185  -6.691
  349   HG12  ILE  45          HG12      ILE  45  -3.720   2.939  -5.802
  350   HG13  ILE  45          HG13      ILE  45  -1.996   2.749  -5.439
  351   HG21  ILE  45          HG21      ILE  45  -2.163   4.383  -8.737
  352   HG22  ILE  45          HG22      ILE  45  -1.471   3.030  -7.816
  353   HG23  ILE  45          HG23      ILE  45  -3.227   3.125  -8.079
  354   HD11  ILE  45          HD11      ILE  45  -3.590   5.001  -4.209
  355   HD12  ILE  45          HD12      ILE  45  -3.618   3.352  -3.529
  356   HD13  ILE  45          HD13      ILE  45  -2.091   4.230  -3.623
  357    HA   PRO  46           HA       PRO  46   1.054   7.271  -9.310
  358    HB2  PRO  46           HB2      PRO  46   3.069   5.642 -10.148
  359    HB3  PRO  46           HB3      PRO  46   3.148   6.595  -8.635
  360    HG2  PRO  46           HG2      PRO  46   2.374   3.689  -8.965
  361    HG3  PRO  46           HG3      PRO  46   3.524   4.420  -7.775
  362    HD2  PRO  46           HD2      PRO  46   0.949   3.813  -7.155
  363    HD3  PRO  46           HD3      PRO  46   1.803   5.238  -6.465
  364    H    ARG  47           H        ARG  47  -1.333   6.224  -9.876
  365    HA   ARG  47           HA       ARG  47  -1.409   4.158 -11.848
  366    HB2  ARG  47           HB2      ARG  47  -3.707   4.762 -12.143
  367    HB3  ARG  47           HB3      ARG  47  -3.331   4.937 -10.422
  368    HG2  ARG  47           HG2      ARG  47  -3.037   7.399 -10.808
  369    HG3  ARG  47           HG3      ARG  47  -3.502   7.132 -12.515
  370    HD2  ARG  47           HD2      ARG  47  -5.689   6.317 -11.866
  371    HD3  ARG  47           HD3      ARG  47  -5.253   6.376 -10.153
  372    HE   ARG  47           HE       ARG  47  -5.644   8.645 -10.112
  373   HH11  ARG  47          HH11      ARG  47  -5.471   7.621 -13.515
  374   HH12  ARG  47          HH12      ARG  47  -6.067   9.147 -14.105
  375   HH21  ARG  47          HH21      ARG  47  -6.397  10.616 -10.944
  376   HH22  ARG  47          HH22      ARG  47  -6.568  10.838 -12.671
  377    H    ASP  48           H        ASP  48  -2.901   5.062 -13.935
  378    HA   ASP  48           HA       ASP  48  -0.985   5.781 -15.837
  379    HB2  ASP  48           HB2      ASP  48  -2.806   5.786 -17.340
  380    HB3  ASP  48           HB3      ASP  48  -3.287   4.645 -16.077
  381    H    ARG  49           H        ARG  49  -1.573   7.591 -17.501
  382    HA   ARG  49           HA       ARG  49  -2.413  10.128 -16.254
  383    HB2  ARG  49           HB2      ARG  49   0.056   9.904 -16.018
  384    HB3  ARG  49           HB3      ARG  49   0.195   9.861 -17.786
  385    HG2  ARG  49           HG2      ARG  49  -0.626  12.115 -17.990
  386    HG3  ARG  49           HG3      ARG  49  -1.246  12.107 -16.317
  387    HD2  ARG  49           HD2      ARG  49   0.795  13.400 -16.411
  388    HD3  ARG  49           HD3      ARG  49   1.050  11.915 -15.467
  389    HE   ARG  49           HE       ARG  49   1.760  11.434 -18.193
  390   HH11  ARG  49          HH11      ARG  49   2.898  13.228 -15.371
  391   HH12  ARG  49          HH12      ARG  49   4.580  13.148 -15.849
  392   HH21  ARG  49          HH21      ARG  49   3.957  11.363 -18.807
  393   HH22  ARG  49          HH22      ARG  49   5.175  12.101 -17.791
  394    H    TYR  50           H        TYR  50  -2.806   7.890 -18.683
  395    HA   TYR  50           HA       TYR  50  -4.025   9.833 -20.495
  396    HB2  TYR  50           HB2      TYR  50  -2.698   9.044 -22.420
  397    HB3  TYR  50           HB3      TYR  50  -1.729   9.917 -21.237
  398    HD1  TYR  50           HD1      TYR  50  -0.116   8.721 -19.793
  399    HD2  TYR  50           HD2      TYR  50  -2.301   6.694 -22.893
  400    HE1  TYR  50           HE1      TYR  50   1.466   6.819 -19.653
  401    HE2  TYR  50           HE2      TYR  50  -0.716   4.777 -22.759
  402    HH   TYR  50           HH       TYR  50   2.045   4.754 -20.477
  403    H    THR  51           H        THR  51  -4.662   7.250 -18.811
  404    HA   THR  51           HA       THR  51  -6.112   5.901 -21.030
  405    HB   THR  51           HB       THR  51  -5.548   3.714 -20.198
  406   HG21  THR  51          HG21      THR  51  -3.945   4.787 -21.794
  407   HG22  THR  51          HG22      THR  51  -2.971   5.325 -20.397
  408   HG23  THR  51          HG23      THR  51  -3.176   3.598 -20.726
  409    H    LYS  52           H        LYS  52  -7.192   3.845 -19.370
  410    HA   LYS  52           HA       LYS  52  -8.938   5.409 -17.541
  411    HB2  LYS  52           HB2      LYS  52  -9.806   3.305 -19.569
  412    HB3  LYS  52           HB3      LYS  52 -10.835   4.007 -18.322
  413    HG2  LYS  52           HG2      LYS  52 -11.428   5.282 -20.125
  414    HG3  LYS  52           HG3      LYS  52 -10.205   6.313 -19.371
  415    HD2  LYS  52           HD2      LYS  52  -8.523   5.492 -21.024
  416    HD3  LYS  52           HD3      LYS  52  -9.756   4.424 -21.733
  417    HE2  LYS  52           HE2      LYS  52 -11.157   6.392 -22.257
  418    HE3  LYS  52           HE3      LYS  52  -9.923   7.461 -21.570
  419    HZ1  LYS  52           HZ1      LYS  52  -9.536   5.682 -23.878
  420    HZ2  LYS  52           HZ2      LYS  52  -9.738   7.312 -23.946
  421    HZ3  LYS  52           HZ3      LYS  52  -8.392   6.675 -23.241
  422    H    GLU  53           H        GLU  53  -6.553   3.726 -17.013
  423    HA   GLU  53           HA       GLU  53  -7.808   1.893 -15.064
  424    HB2  GLU  53           HB2      GLU  53  -6.339   0.050 -15.726
  425    HB3  GLU  53           HB3      GLU  53  -7.397   0.521 -17.067
  426    HG2  GLU  53           HG2      GLU  53  -5.541   1.849 -18.053
  427    HG3  GLU  53           HG3      GLU  53  -4.485   1.360 -16.718
  428    H    SER  54           H        SER  54  -5.669   0.803 -13.859
  429    HA   SER  54           HA       SER  54  -3.869   3.100 -13.202
  430    HB2  SER  54           HB2      SER  54  -5.373   1.319 -11.257
  431    HB3  SER  54           HB3      SER  54  -4.165   2.552 -10.826
  432    HG   SER  54           HG       SER  54  -6.349   3.296 -10.691
  433    H    ARG  55           H        ARG  55  -1.953   2.384 -11.942
  434    HA   ARG  55           HA       ARG  55  -0.732   0.050 -13.155
  435    HB2  ARG  55           HB2      ARG  55   0.163   1.965 -10.961
  436    HB3  ARG  55           HB3      ARG  55   1.188   0.712 -11.679
  437    HG2  ARG  55           HG2      ARG  55  -0.091   3.009 -13.226
  438    HG3  ARG  55           HG3      ARG  55   1.592   2.937 -12.685
  439    HD2  ARG  55           HD2      ARG  55   1.936   0.891 -14.048
  440    HD3  ARG  55           HD3      ARG  55   0.265   0.982 -14.612
  441    HE   ARG  55           HE       ARG  55   2.500   2.779 -15.340
  442   HH11  ARG  55          HH11      ARG  55  -0.930   1.980 -15.646
  443   HH12  ARG  55          HH12      ARG  55  -1.158   2.967 -17.073
  444   HH21  ARG  55          HH21      ARG  55   2.172   4.063 -17.205
  445   HH22  ARG  55          HH22      ARG  55   0.592   4.141 -17.945
  446    H    GLY  56           H        GLY  56   0.609  -1.399 -11.644
  447    HA2  GLY  56           HA2      GLY  56  -1.399  -2.833 -10.002
  448    HA3  GLY  56           HA3      GLY  56   0.053  -3.523 -10.737
  449    H    PHE  57           H        PHE  57   0.468  -0.461  -9.092
  450    HA   PHE  57           HA       PHE  57   1.138  -1.695  -6.500
  451    HB2  PHE  57           HB2      PHE  57   3.394  -1.062  -6.497
  452    HB3  PHE  57           HB3      PHE  57   3.162  -1.911  -8.016
  453    HD1  PHE  57           HD2      PHE  57   2.580  -0.314 -10.099
  454    HD2  PHE  57           HD1      PHE  57   4.489   0.980  -6.464
  455    HE1  PHE  57           HE2      PHE  57   3.518   1.660 -11.284
  456    HE2  PHE  57           HE1      PHE  57   5.432   2.930  -7.648
  457    HZ   PHE  57           HZ       PHE  57   4.918   3.303 -10.045
  458    H    ALA  58           H        ALA  58   1.575  -0.082  -4.881
  459    HA   ALA  58           HA       ALA  58   0.288   2.541  -5.509
  460    HB1  ALA  58           HB1      ALA  58  -0.309   2.532  -3.078
  461    HB2  ALA  58           HB2      ALA  58  -1.059   1.215  -3.981
  462    HB3  ALA  58           HB3      ALA  58   0.367   0.888  -2.954
  463    H    PHE  59           H        PHE  59   1.019   3.759  -3.113
  464    HA   PHE  59           HA       PHE  59   3.860   3.520  -2.594
  465    HB2  PHE  59           HB2      PHE  59   3.174   5.021  -4.817
  466    HB3  PHE  59           HB3      PHE  59   3.058   6.243  -3.579
  467    HD1  PHE  59           HD1      PHE  59   5.380   5.744  -1.805
  468    HD2  PHE  59           HD2      PHE  59   5.029   5.214  -6.063
  469    HE1  PHE  59           HE1      PHE  59   7.823   6.079  -2.060
  470    HE2  PHE  59           HE2      PHE  59   7.455   5.549  -6.319
  471    HZ   PHE  59           HZ       PHE  59   8.869   5.993  -4.306
  472    H    VAL  60           H        VAL  60   2.351   2.888  -0.739
  473    HA   VAL  60           HA       VAL  60   1.543   5.358   0.644
  474    HB   VAL  60           HB       VAL  60   0.870   4.291   2.377
  475   HG11  VAL  60          HG11      VAL  60  -0.384   3.259   0.650
  476   HG12  VAL  60          HG12      VAL  60   0.790   1.954   0.444
  477   HG13  VAL  60          HG13      VAL  60  -0.130   2.096   1.964
  478   HG21  VAL  60          HG21      VAL  60   2.807   3.642   3.414
  479   HG22  VAL  60          HG22      VAL  60   1.741   2.248   3.446
  480   HG23  VAL  60          HG23      VAL  60   3.109   2.308   2.282
  481    H    ARG  61           H        ARG  61   2.802   6.601   2.025
  482    HA   ARG  61           HA       ARG  61   5.556   5.655   2.561
  483    HB2  ARG  61           HB2      ARG  61   6.128   7.008   0.790
  484    HB3  ARG  61           HB3      ARG  61   4.789   8.154   1.052
  485    HG2  ARG  61           HG2      ARG  61   5.894   9.030   3.051
  486    HG3  ARG  61           HG3      ARG  61   7.179   7.806   2.913
  487    HD2  ARG  61           HD2      ARG  61   7.710   8.796   0.632
  488    HD3  ARG  61           HD3      ARG  61   6.628  10.142   1.050
  489    HE   ARG  61           HE       ARG  61   9.289   9.555   2.141
  490   HH11  ARG  61          HH11      ARG  61   6.289  11.402   2.634
  491   HH12  ARG  61          HH12      ARG  61   7.058  12.534   3.713
  492   HH21  ARG  61          HH21      ARG  61  10.214  11.019   3.566
  493   HH22  ARG  61          HH22      ARG  61   9.265  12.332   4.233
  494    H    PHE  62           H        PHE  62   6.385   6.003   4.274
  495    HA   PHE  62           HA       PHE  62   4.635   7.258   6.381
  496    HB2  PHE  62           HB2      PHE  62   6.626   5.013   6.437
  497    HB3  PHE  62           HB3      PHE  62   6.194   5.904   7.896
  498    HD1  PHE  62           HD1      PHE  62   3.852   5.006   5.070
  499    HD2  PHE  62           HD2      PHE  62   5.058   4.340   9.154
  500    HE1  PHE  62           HE1      PHE  62   1.801   3.734   5.445
  501    HE2  PHE  62           HE2      PHE  62   3.033   2.960   9.509
  502    HZ   PHE  62           HZ       PHE  62   1.424   2.635   7.700
  503    H    HIS  63           H        HIS  63   5.436   8.694   7.808
  504    HA   HIS  63           HA       HIS  63   7.735  10.294   6.932
  505    HB2  HIS  63           HB2      HIS  63   6.700  11.877   8.613
  506    HB3  HIS  63           HB3      HIS  63   5.615  11.398   7.303
  507    HD2  HIS  63           HD2      HIS  63   3.374  11.803   8.783
  508    HE1  HIS  63           HE1      HIS  63   4.054   8.641  11.548
  509    HE2  HIS  63           HE2      HIS  63   2.363  10.385  10.726
  510    H    ASP  64           H        ASP  64   7.218   7.713   9.034
  511    HA   ASP  64           HA       ASP  64   9.591   8.391  10.649
  512    HB2  ASP  64           HB2      ASP  64   7.557   9.213  11.879
  513    HB3  ASP  64           HB3      ASP  64   6.947   7.553  11.902
  514    H    LYS  65           H        LYS  65  10.890   6.668  10.417
  515    HA   LYS  65           HA       LYS  65  10.092   4.269   9.203
  516    HB2  LYS  65           HB2      LYS  65  12.295   3.493   9.642
  517    HB3  LYS  65           HB3      LYS  65  12.412   5.226   9.326
  518    HG2  LYS  65           HG2      LYS  65  12.372   5.610  11.842
  519    HG3  LYS  65           HG3      LYS  65  12.502   3.849  12.033
  520    HD2  LYS  65           HD2      LYS  65  14.504   5.739  10.751
  521    HD3  LYS  65           HD3      LYS  65  14.734   4.705  12.177
  522    HE2  LYS  65           HE2      LYS  65  14.368   2.697  10.678
  523    HE3  LYS  65           HE3      LYS  65  14.305   3.819   9.299
  524    HZ1  LYS  65           HZ1      LYS  65  16.603   3.495  11.113
  525    HZ2  LYS  65           HZ2      LYS  65  16.489   2.873   9.588
  526    HZ3  LYS  65           HZ3      LYS  65  16.521   4.495   9.803
  527    H    ARG  66           H        ARG  66   9.844   5.172  12.602
  528    HA   ARG  66           HA       ARG  66   9.923   2.482  13.649
  529    HB2  ARG  66           HB2      ARG  66   8.639   5.034  14.729
  530    HB3  ARG  66           HB3      ARG  66   8.875   3.551  15.658
  531    HG2  ARG  66           HG2      ARG  66  11.092   5.227  14.403
  532    HG3  ARG  66           HG3      ARG  66  10.628   5.250  16.109
  533    HD2  ARG  66           HD2      ARG  66  11.683   2.815  14.605
  534    HD3  ARG  66           HD3      ARG  66  12.614   3.836  15.707
  535    HE   ARG  66           HE       ARG  66  10.781   3.175  17.429
  536   HH11  ARG  66          HH11      ARG  66  12.007   1.008  14.890
  537   HH12  ARG  66          HH12      ARG  66  11.700  -0.425  15.829
  538   HH21  ARG  66          HH21      ARG  66  10.381   1.292  18.592
  539   HH22  ARG  66          HH22      ARG  66  10.772  -0.272  17.913
  540    H    ASP  67           H        ASP  67   7.220   4.686  12.754
  541    HA   ASP  67           HA       ASP  67   5.189   2.716  13.291
  542    HB2  ASP  67           HB2      ASP  67   5.172   5.159  11.468
  543    HB3  ASP  67           HB3      ASP  67   3.750   4.232  11.944
  544    H    ALA  68           H        ALA  68   7.352   3.384  10.569
  545    HA   ALA  68           HA       ALA  68   5.823   1.837   8.666
  546    HB1  ALA  68           HB1      ALA  68   7.349   3.657   8.002
  547    HB2  ALA  68           HB2      ALA  68   8.724   2.790   8.721
  548    HB3  ALA  68           HB3      ALA  68   7.894   2.102   7.317
  549    H    GLU  69           H        GLU  69   8.503   1.192  10.960
  550    HA   GLU  69           HA       GLU  69   9.331  -1.324   9.958
  551    HB2  GLU  69           HB2      GLU  69   9.409   0.119  12.604
  552    HB3  GLU  69           HB3      GLU  69   9.747  -1.613  12.580
  553    HG2  GLU  69           HG2      GLU  69  11.484  -1.250  10.839
  554    HG3  GLU  69           HG3      GLU  69  11.165   0.478  10.858
  555    H    ASP  70           H        ASP  70   6.838  -0.535  12.486
  556    HA   ASP  70           HA       ASP  70   6.320  -3.344  12.902
  557    HB2  ASP  70           HB2      ASP  70   4.555  -0.962  13.572
  558    HB3  ASP  70           HB3      ASP  70   4.458  -2.606  14.239
  559    H    ALA  71           H        ALA  71   4.690  -0.773  10.981
  560    HA   ALA  71           HA       ALA  71   2.484  -2.351  10.151
  561    HB1  ALA  71           HB1      ALA  71   2.652   0.131   9.914
  562    HB2  ALA  71           HB2      ALA  71   3.887  -0.099   8.648
  563    HB3  ALA  71           HB3      ALA  71   2.223  -0.671   8.396
  564    H    MET  72           H        MET  72   5.717  -1.842   8.653
  565    HA   MET  72           HA       MET  72   5.221  -3.460   6.347
  566    HB2  MET  72           HB2      MET  72   7.001  -1.838   6.381
  567    HB3  MET  72           HB3      MET  72   7.713  -2.553   7.835
  568    HG2  MET  72           HG2      MET  72   8.495  -4.451   6.694
  569    HG3  MET  72           HG3      MET  72   7.475  -4.153   5.287
  570    HE1  MET  72           HE1      MET  72  10.938  -1.256   6.367
  571    HE2  MET  72           HE2      MET  72   9.267  -1.049   6.912
  572    HE3  MET  72           HE3      MET  72  10.234  -2.423   7.515
  573    H    ASP  73           H        ASP  73   6.662  -4.188   9.559
  574    HA   ASP  73           HA       ASP  73   7.245  -6.916   8.908
  575    HB2  ASP  73           HB2      ASP  73   8.327  -5.601  10.729
  576    HB3  ASP  73           HB3      ASP  73   6.787  -5.583  11.609
  577    H    ALA  74           H        ALA  74   4.281  -5.342   9.279
  578    HA   ALA  74           HA       ALA  74   2.915  -7.898   9.950
  579    HB1  ALA  74           HB1      ALA  74   2.157  -5.055  10.708
  580    HB2  ALA  74           HB2      ALA  74   1.193  -6.515  11.068
  581    HB3  ALA  74           HB3      ALA  74   2.788  -6.288  11.815
  582    H    MET  75           H        MET  75   3.580  -6.001   7.365
  583    HA   MET  75           HA       MET  75   0.895  -6.514   6.165
  584    HB2  MET  75           HB2      MET  75   2.505  -3.953   6.083
  585    HB3  MET  75           HB3      MET  75   1.300  -4.341   4.875
  586    HG2  MET  75           HG2      MET  75   0.776  -4.172   7.875
  587    HG3  MET  75           HG3      MET  75   0.366  -2.942   6.680
  588    HE1  MET  75           HE1      MET  75  -0.455  -5.249   4.292
  589    HE2  MET  75           HE2      MET  75  -2.203  -4.975   4.416
  590    HE3  MET  75           HE3      MET  75  -1.076  -3.592   4.488
  591    H    ASP  76           H        ASP  76   4.414  -6.617   5.793
  592    HA   ASP  76           HA       ASP  76   4.386  -6.765   2.942
  593    HB2  ASP  76           HB2      ASP  76   6.411  -6.339   4.325
  594    HB3  ASP  76           HB3      ASP  76   6.345  -8.013   4.912
  595    H    GLY  77           H        GLY  77   3.242  -8.202   1.812
  596    HA2  GLY  77           HA2      GLY  77   2.559 -10.208   0.992
  597    HA3  GLY  77           HA3      GLY  77   3.600 -11.052   2.163
  598    H    ALA  78           H        ALA  78   1.171  -8.656   3.097
  599    HA   ALA  78           HA       ALA  78  -0.095 -10.665   4.827
  600    HB1  ALA  78           HB1      ALA  78  -0.484  -7.661   4.559
  601    HB2  ALA  78           HB2      ALA  78  -1.227  -8.692   5.808
  602    HB3  ALA  78           HB3      ALA  78   0.539  -8.507   5.752
  603    H    VAL  79           H        VAL  79  -0.540  -9.886   1.692
  604    HA   VAL  79           HA       VAL  79  -2.353  -9.696   0.263
  605    HB   VAL  79           HB       VAL  79  -1.748 -11.971   0.193
  606   HG11  VAL  79          HG11      VAL  79  -3.471 -12.428   2.657
  607   HG12  VAL  79          HG12      VAL  79  -2.688 -13.691   1.672
  608   HG13  VAL  79          HG13      VAL  79  -1.684 -12.529   2.549
  609   HG21  VAL  79          HG21      VAL  79  -4.736 -11.939   0.363
  610   HG22  VAL  79          HG22      VAL  79  -3.700 -11.336  -0.978
  611   HG23  VAL  79          HG23      VAL  79  -3.668 -13.051  -0.520
  612    H    LEU  80           H        LEU  80  -3.207  -7.771   1.425
  613    HA   LEU  80           HA       LEU  80  -5.605  -8.120   2.969
  614    HB2  LEU  80           HB2      LEU  80  -5.888  -5.697   2.691
  615    HB3  LEU  80           HB3      LEU  80  -4.248  -6.131   3.190
  616    HG   LEU  80           HG       LEU  80  -3.521  -5.895   0.794
  617   HD11  LEU  80          HD11      LEU  80  -4.947  -4.373  -0.625
  618   HD12  LEU  80          HD12      LEU  80  -5.588  -6.013  -0.478
  619   HD13  LEU  80          HD13      LEU  80  -6.300  -4.685   0.479
  620   HD21  LEU  80          HD21      LEU  80  -3.505  -3.418   0.893
  621   HD22  LEU  80          HD22      LEU  80  -4.761  -3.466   2.144
  622   HD23  LEU  80          HD23      LEU  80  -3.144  -4.146   2.469
  623    H    ASP  81           H        ASP  81  -5.116  -8.822  -0.283
  624    HA   ASP  81           HA       ASP  81  -8.035  -8.534  -0.716
  625    HB2  ASP  81           HB2      ASP  81  -6.999  -6.688  -1.940
  626    HB3  ASP  81           HB3      ASP  81  -5.859  -7.797  -2.709
  627    H    GLY  82           H        GLY  82  -5.050  -9.956  -2.198
  628    HA2  GLY  82           HA2      GLY  82  -5.378 -12.563  -1.742
  629    HA3  GLY  82           HA3      GLY  82  -6.590 -12.339  -3.035
  630    H    ARG  83           H        ARG  83  -3.552 -10.536  -2.857
  631    HA   ARG  83           HA       ARG  83  -2.354 -12.256  -4.978
  632    HB2  ARG  83           HB2      ARG  83  -1.652 -10.079  -6.103
  633    HB3  ARG  83           HB3      ARG  83  -3.374 -10.510  -6.228
  634    HG2  ARG  83           HG2      ARG  83  -4.034  -8.910  -4.614
  635    HG3  ARG  83           HG3      ARG  83  -2.385  -8.718  -3.986
  636    HD2  ARG  83           HD2      ARG  83  -3.141  -6.829  -5.430
  637    HD3  ARG  83           HD3      ARG  83  -1.657  -7.639  -5.971
  638    HE   ARG  83           HE       ARG  83  -4.363  -8.149  -7.171
  639   HH11  ARG  83          HH11      ARG  83  -0.860  -7.716  -7.552
  640   HH12  ARG  83          HH12      ARG  83  -0.899  -8.080  -9.261
  641   HH21  ARG  83          HH21      ARG  83  -4.363  -8.587  -9.396
  642   HH22  ARG  83          HH22      ARG  83  -2.872  -8.521 -10.305
  643    H    GLU  84           H        GLU  84  -1.977 -10.176  -2.219
  644    HA   GLU  84           HA       GLU  84  -0.480 -10.659  -0.560
  645    HB2  GLU  84           HB2      GLU  84   0.539 -12.480  -2.392
  646    HB3  GLU  84           HB3      GLU  84   1.917 -11.404  -2.052
  647    HG2  GLU  84           HG2      GLU  84   1.267 -11.734   0.444
  648    HG3  GLU  84           HG3      GLU  84   0.189 -13.001  -0.130
  649    H    LEU  85           H        LEU  85  -0.654  -8.540  -0.190
  650    HA   LEU  85           HA       LEU  85   0.419  -6.349  -1.402
  651    HB2  LEU  85           HB2      LEU  85  -1.014  -6.907   0.799
  652    HB3  LEU  85           HB3      LEU  85   0.513  -6.635   1.608
  653    HG   LEU  85           HG       LEU  85  -1.017  -4.702   1.584
  654   HD11  LEU  85          HD11      LEU  85   1.374  -3.970  -0.112
  655   HD12  LEU  85          HD12      LEU  85   0.539  -3.006   1.106
  656   HD13  LEU  85          HD13      LEU  85   1.505  -4.415   1.619
  657   HD21  LEU  85          HD21      LEU  85  -0.513  -4.534  -1.415
  658   HD22  LEU  85          HD22      LEU  85  -2.024  -5.108  -0.682
  659   HD23  LEU  85          HD23      LEU  85  -1.482  -3.431  -0.426
  660    H    ARG  86           H        ARG  86   2.311  -4.993  -0.932
  661    HA   ARG  86           HA       ARG  86   4.711  -6.524  -0.040
  662    HB2  ARG  86           HB2      ARG  86   4.324  -4.848  -2.557
  663    HB3  ARG  86           HB3      ARG  86   5.915  -5.372  -1.960
  664    HG2  ARG  86           HG2      ARG  86   3.630  -7.210  -2.778
  665    HG3  ARG  86           HG3      ARG  86   5.059  -6.820  -3.758
  666    HD2  ARG  86           HD2      ARG  86   6.526  -7.729  -1.967
  667    HD3  ARG  86           HD3      ARG  86   5.090  -8.170  -1.026
  668    HE   ARG  86           HE       ARG  86   5.791  -9.337  -3.694
  669   HH11  ARG  86          HH11      ARG  86   4.283  -9.604  -0.503
  670   HH12  ARG  86          HH12      ARG  86   3.968 -11.321  -0.681
  671   HH21  ARG  86          HH21      ARG  86   5.267 -11.556  -3.910
  672   HH22  ARG  86          HH22      ARG  86   4.455 -12.382  -2.590
  673    H    VAL  87           H        VAL  87   6.096  -5.376   1.241
  674    HA   VAL  87           HA       VAL  87   5.735  -2.436   1.354
  675    HB   VAL  87           HB       VAL  87   5.866  -4.205   3.824
  676   HG11  VAL  87          HG11      VAL  87   5.040  -2.040   4.872
  677   HG12  VAL  87          HG12      VAL  87   6.680  -1.980   4.180
  678   HG13  VAL  87          HG13      VAL  87   5.316  -1.261   3.300
  679   HG21  VAL  87          HG21      VAL  87   3.759  -4.750   2.805
  680   HG22  VAL  87          HG22      VAL  87   3.462  -3.640   4.150
  681   HG23  VAL  87          HG23      VAL  87   3.406  -3.048   2.466
  682    H    GLN  88           H        GLN  88   7.529  -1.285   1.787
  683    HA   GLN  88           HA       GLN  88  10.045  -2.353   2.708
  684    HB2  GLN  88           HB2      GLN  88  11.179  -2.051   0.452
  685    HB3  GLN  88           HB3      GLN  88  10.144  -3.483   0.579
  686    HG2  GLN  88           HG2      GLN  88   8.318  -2.309  -0.577
  687    HG3  GLN  88           HG3      GLN  88   9.307  -0.840  -0.675
  688   HE21  GLN  88          HE22      GLN  88   8.208  -1.999  -2.965
  689   HE22  GLN  88          HE21      GLN  88   9.485  -2.703  -3.932
  690    H    MET  89           H        MET  89  11.574  -0.697   3.007
  691    HA   MET  89           HA       MET  89  10.716   1.923   3.364
  692    HB2  MET  89           HB2      MET  89  13.446   0.712   2.881
  693    HB3  MET  89           HB3      MET  89  13.222   2.430   3.288
  694    HG2  MET  89           HG2      MET  89  11.916   0.234   4.921
  695    HG3  MET  89           HG3      MET  89  13.569   0.748   5.248
  696    HE1  MET  89           HE1      MET  89  12.316   0.928   7.677
  697    HE2  MET  89           HE2      MET  89  11.075   2.156   8.046
  698    HE3  MET  89           HE3      MET  89  10.686   0.788   6.971
  699    H    ALA  90           H        ALA  90  11.292   3.859   2.313
  700    HA   ALA  90           HA       ALA  90  11.321   3.680  -0.663
  701    HB1  ALA  90           HB1      ALA  90  10.081   5.840   1.073
  702    HB2  ALA  90           HB2      ALA  90   9.921   5.621  -0.697
  703    HB3  ALA  90           HB3      ALA  90   9.197   4.450   0.413
  704    H    ARG  91           H        ARG  91  13.087   4.536   2.043
  705    HA   ARG  91           HA       ARG  91  14.777   5.815   2.604
  706    HB2  ARG  91           HB2      ARG  91  16.685   5.762   1.091
  707    HB3  ARG  91           HB3      ARG  91  15.879   4.208   1.384
  708    HG2  ARG  91           HG2      ARG  91  16.519   4.299  -0.919
  709    HG3  ARG  91           HG3      ARG  91  14.760   4.398  -0.822
  710    HD2  ARG  91           HD2      ARG  91  15.648   5.962  -2.508
  711    HD3  ARG  91           HD3      ARG  91  14.891   6.860  -1.194
  712    HE   ARG  91           HE       ARG  91  16.976   7.657  -0.501
  713   HH11  ARG  91          HH11      ARG  91  17.385   5.282  -3.099
  714   HH12  ARG  91          HH12      ARG  91  19.058   5.708  -3.372
  715   HH21  ARG  91          HH21      ARG  91  19.147   8.188  -0.894
  716   HH22  ARG  91          HH22      ARG  91  20.054   7.335  -2.120
  717    H    TYR  92           H        TYR  92  12.598   7.475   1.095
  718    HA   TYR  92           HA       TYR  92  13.954   9.721  -0.055
  719    HB2  TYR  92           HB2      TYR  92  11.310   9.062   1.135
  720    HB3  TYR  92           HB3      TYR  92  11.643  10.767   0.706
  721    HD1  TYR  92           HD1      TYR  92  11.989  11.408  -1.670
  722    HD2  TYR  92           HD2      TYR  92  10.925   7.428  -0.504
  723    HE1  TYR  92           HE1      TYR  92  11.348  10.910  -4.020
  724    HE2  TYR  92           HE2      TYR  92  10.262   6.901  -2.848
  725    HH   TYR  92           HH       TYR  92  10.516   9.344  -5.471
  726    H    GLY  93           H        GLY  93  14.105   8.647   3.143
  727    HA2  GLY  93           HA2      GLY  93  14.712  11.398   4.107
  728    HA3  GLY  93           HA3      GLY  93  13.621  10.353   5.032
  729    H    ARG  94           H        ARG  94  15.515  11.050   6.568
  730    HA   ARG  94           HA       ARG  94  17.451   8.834   6.678
  731    HB2  ARG  94           HB2      ARG  94  18.414  10.848   5.398
  732    HB3  ARG  94           HB3      ARG  94  18.232  11.779   6.887
  733    HG2  ARG  94           HG2      ARG  94  20.493  11.067   6.854
  734    HG3  ARG  94           HG3      ARG  94  19.697  10.008   8.029
  735    HD2  ARG  94           HD2      ARG  94  21.099   8.633   6.634
  736    HD3  ARG  94           HD3      ARG  94  19.418   8.308   6.169
  737    HE   ARG  94           HE       ARG  94  20.509  10.411   4.546
  738   HH11  ARG  94          HH11      ARG  94  20.644   6.910   4.988
  739   HH12  ARG  94          HH12      ARG  94  21.143   6.600   3.340
  740   HH21  ARG  94          HH21      ARG  94  21.133   9.985   2.400
  741   HH22  ARG  94          HH22      ARG  94  21.414   8.340   1.880
  742    HA   PRO  95           HA       PRO  95  16.295   9.029  10.994
  743    HB2  PRO  95           HB2      PRO  95  19.195   8.262  11.332
  744    HB3  PRO  95           HB3      PRO  95  17.753   7.556  12.124
  745    HG2  PRO  95           HG2      PRO  95  18.913   6.273  10.042
  746    HG3  PRO  95           HG3      PRO  95  17.123   6.397  10.145
  747    HD2  PRO  95           HD2      PRO  95  19.010   8.020   8.442
  748    HD3  PRO  95           HD3      PRO  95  17.396   7.348   8.045
  749    HA   PRO  96           HA       PRO  96  17.800  12.915  12.479
  750    HB2  PRO  96           HB2      PRO  96  17.588  12.687  15.192
  751    HB3  PRO  96           HB3      PRO  96  16.158  12.716  14.111
  752    HG2  PRO  96           HG2      PRO  96  17.564  10.283  15.249
  753    HG3  PRO  96           HG3      PRO  96  15.800  10.654  15.271
  754    HD2  PRO  96           HD2      PRO  96  16.892   9.032  13.389
  755    HD3  PRO  96           HD3      PRO  96  15.594  10.183  12.961
  756    H    ASP  97           H        ASP  97  19.430  13.924  14.039
  757    HA   ASP  97           HA       ASP  97  22.014  12.916  13.473
  758    HB2  ASP  97           HB2      ASP  97  21.423  15.286  13.862
  759    HB3  ASP  97           HB3      ASP  97  21.107  14.926  15.566
  760    H    SER  98           H        SER  98  19.792  11.999  15.969
  761    HA   SER  98           HA       SER  98  21.854  11.111  17.841
  762    HB2  SER  98           HB2      SER  98  19.902  10.278  19.121
  763    HB3  SER  98           HB3      SER  98  19.738  11.989  18.694
  764    HG   SER  98           HG       SER  98  17.832  10.773  18.270
  765    H    HIS  99           H        HIS  99  20.919   9.924  14.896
  766    HA   HIS  99           HA       HIS  99  21.705   7.186  15.654
  767    HB2  HIS  99           HB2      HIS  99  19.201   7.347  15.791
  768    HB3  HIS  99           HB3      HIS  99  19.169   7.798  14.084
  769    HD2  HIS  99           HD2      HIS  99  20.955   4.894  16.024
  770    HE1  HIS  99           HE1      HIS  99  18.909   3.181  12.714
  771    HE2  HIS  99           HE2      HIS  99  20.409   2.689  14.713
  772    H    HIS 100           H        HIS 100  22.194   9.818  13.720
  773    HA   HIS 100           HA       HIS 100  23.608   8.196  11.715
  774    HB2  HIS 100           HB2      HIS 100  21.339   8.445  10.771
  775    HB3  HIS 100           HB3      HIS 100  21.437  10.196  10.976
  776    HD2  HIS 100           HD2      HIS 100  22.314  11.527   8.957
  777    HE1  HIS 100           HE1      HIS 100  24.236   8.412   6.798
  778    HE2  HIS 100           HE2      HIS 100  23.592  10.873   6.759
  779    H    SER 101           H        SER 101  25.057   9.548  10.393
  780    HA   SER 101           HA       SER 101  25.534  12.309  11.205
  781    HB2  SER 101           HB2      SER 101  27.847  11.868  11.975
  782    HB3  SER 101           HB3      SER 101  26.631  11.133  13.035
  783    HG   SER 101           HG       SER 101  28.350   9.691  12.517
  Start of MODEL   13
    1    H    MET   1           H1       MET   1   5.502 -21.009  17.717
    2    HA   MET   1           HA       MET   1   5.534 -18.838  18.685
    3    HB2  MET   1           HB2      MET   1   6.488 -20.758  19.922
    4    HB3  MET   1           HB3      MET   1   8.076 -20.437  19.207
    5    HG2  MET   1           HG2      MET   1   7.932 -19.486  21.460
    6    HG3  MET   1           HG3      MET   1   8.138 -18.227  20.244
    7    HE1  MET   1           HE1      MET   1   4.794 -20.196  21.231
    8    HE2  MET   1           HE2      MET   1   5.722 -19.998  22.737
    9    HE3  MET   1           HE3      MET   1   4.187 -19.122  22.509
   10    H    SER   2           H        SER   2   6.096 -16.750  18.398
   11    HA   SER   2           HA       SER   2   8.779 -16.034  17.469
   12    HB2  SER   2           HB2      SER   2   7.948 -14.735  15.549
   13    HB3  SER   2           HB3      SER   2   7.612 -16.467  15.346
   14    HG   SER   2           HG       SER   2   5.481 -16.069  16.027
   15    H    TYR   3           H        TYR   3   8.733 -13.497  17.086
   16    HA   TYR   3           HA       TYR   3   6.940 -12.103  18.973
   17    HB2  TYR   3           HB2      TYR   3   8.902 -11.180  20.207
   18    HB3  TYR   3           HB3      TYR   3   8.698 -12.923  20.429
   19    HD1  TYR   3           HD1      TYR   3  10.795 -10.284  18.864
   20    HD2  TYR   3           HD2      TYR   3  10.291 -14.507  19.531
   21    HE1  TYR   3           HE1      TYR   3  13.124 -10.668  18.141
   22    HE2  TYR   3           HE2      TYR   3  12.639 -14.896  18.819
   23    HH   TYR   3           HH       TYR   3  14.787 -12.212  17.813
   24    H    GLY   4           H        GLY   4   9.107 -12.167  16.257
   25    HA2  GLY   4           HA2      GLY   4   8.517 -10.262  14.661
   26    HA3  GLY   4           HA3      GLY   4   8.981  -9.197  16.002
   27    H    ARG   5           H        ARG   5  10.446  -8.581  14.008
   28    HA   ARG   5           HA       ARG   5  13.092  -9.738  14.615
   29    HB2  ARG   5           HB2      ARG   5  11.822  -9.559  11.840
   30    HB3  ARG   5           HB3      ARG   5  13.557  -9.717  12.075
   31    HG2  ARG   5           HG2      ARG   5  11.494 -11.748  13.024
   32    HG3  ARG   5           HG3      ARG   5  12.504 -11.880  11.583
   33    HD2  ARG   5           HD2      ARG   5  14.543 -11.706  13.020
   34    HD3  ARG   5           HD3      ARG   5  13.512 -11.740  14.457
   35    HE   ARG   5           HE       ARG   5  14.112 -13.965  12.617
   36   HH11  ARG   5          HH11      ARG   5  12.145 -12.817  15.322
   37   HH12  ARG   5          HH12      ARG   5  11.751 -14.430  15.873
   38   HH21  ARG   5          HH21      ARG   5  13.564 -16.047  13.336
   39   HH22  ARG   5          HH22      ARG   5  12.533 -16.255  14.727
   40    HA   PRO   6           HA       PRO   6  14.241  -5.483  14.265
   41    HB2  PRO   6           HB2      PRO   6  16.885  -5.645  13.601
   42    HB3  PRO   6           HB3      PRO   6  16.260  -6.168  15.197
   43    HG2  PRO   6           HG2      PRO   6  16.834  -7.889  12.761
   44    HG3  PRO   6           HG3      PRO   6  17.359  -8.169  14.452
   45    HD2  PRO   6           HD2      PRO   6  15.154  -9.377  13.426
   46    HD3  PRO   6           HD3      PRO   6  15.195  -8.808  15.127
   47    HA   PRO   7           HA       PRO   7  13.986  -4.239  10.025
   48    HB2  PRO   7           HB2      PRO   7  15.451  -1.918   9.917
   49    HB3  PRO   7           HB3      PRO   7  13.891  -2.057  10.790
   50    HG2  PRO   7           HG2      PRO   7  16.693  -2.273  11.927
   51    HG3  PRO   7           HG3      PRO   7  15.323  -1.290  12.542
   52    HD2  PRO   7           HD2      PRO   7  15.927  -3.730  13.581
   53    HD3  PRO   7           HD3      PRO   7  14.228  -3.203  13.397
   54    HA   PRO   8           HA       PRO   8  17.425  -5.864   7.836
   55    HB2  PRO   8           HB2      PRO   8  17.280  -4.622   5.391
   56    HB3  PRO   8           HB3      PRO   8  16.082  -5.826   5.963
   57    HG2  PRO   8           HG2      PRO   8  15.857  -2.809   6.032
   58    HG3  PRO   8           HG3      PRO   8  14.632  -4.011   5.504
   59    HD2  PRO   8           HD2      PRO   8  14.617  -2.900   8.007
   60    HD3  PRO   8           HD3      PRO   8  14.119  -4.591   7.725
   61    H    ASP   9           H        ASP   9  17.461  -2.606   6.442
   62    HA   ASP   9           HA       ASP   9  19.943  -1.926   7.857
   63    HB2  ASP   9           HB2      ASP   9  21.212  -1.501   5.894
   64    HB3  ASP   9           HB3      ASP   9  20.675  -3.200   5.886
   65    H    VAL  10           H        VAL  10  17.561  -0.759   8.302
   66    HA   VAL  10           HA       VAL  10  17.042   1.590   6.775
   67    HB   VAL  10           HB       VAL  10  15.719   2.276   8.740
   68   HG11  VAL  10          HG11      VAL  10  14.220   0.317   8.794
   69   HG12  VAL  10          HG12      VAL  10  14.798   0.639   7.144
   70   HG13  VAL  10          HG13      VAL  10  15.498  -0.695   8.090
   71   HG21  VAL  10          HG21      VAL  10  16.978  -0.163  10.078
   72   HG22  VAL  10          HG22      VAL  10  17.275   1.529  10.521
   73   HG23  VAL  10          HG23      VAL  10  15.658   0.824  10.745
   74    H    GLU  11           H        GLU  11  19.910   1.051   7.736
   75    HA   GLU  11           HA       GLU  11  20.728   2.938   9.647
   76    HB2  GLU  11           HB2      GLU  11  22.941   2.374   8.908
   77    HB3  GLU  11           HB3      GLU  11  21.949   0.905   8.767
   78    HG2  GLU  11           HG2      GLU  11  21.652   1.323   6.346
   79    HG3  GLU  11           HG3      GLU  11  22.651   2.777   6.472
   80    H    GLY  12           H        GLY  12  19.339   3.708   6.711
   81    HA2  GLY  12           HA2      GLY  12  20.347   6.438   6.783
   82    HA3  GLY  12           HA3      GLY  12  20.905   5.517   5.377
   83    H    MET  13           H        MET  13  17.756   4.850   6.836
   84    HA   MET  13           HA       MET  13  16.344   6.376   4.718
   85    HB2  MET  13           HB2      MET  13  15.969   3.408   5.301
   86    HB3  MET  13           HB3      MET  13  15.001   4.376   4.186
   87    HG2  MET  13           HG2      MET  13  16.996   4.809   2.796
   88    HG3  MET  13           HG3      MET  13  17.979   3.836   3.902
   89    HE1  MET  13           HE1      MET  13  16.034   1.379   4.612
   90    HE2  MET  13           HE2      MET  13  16.611   0.229   3.393
   91    HE3  MET  13           HE3      MET  13  17.773   1.273   4.241
   92    H    THR  14           H        THR  14  14.029   6.584   5.191
   93    HA   THR  14           HA       THR  14  13.159   5.713   7.855
   94    HB   THR  14           HB       THR  14  13.147   8.647   7.019
   95   HG21  THR  14          HG21      THR  14  11.154   7.968   8.397
   96   HG22  THR  14          HG22      THR  14  12.260   7.342   9.636
   97   HG23  THR  14          HG23      THR  14  12.238   9.076   9.264
   98    H    SER  15           H        SER  15  12.447   7.263   4.710
   99    HA   SER  15           HA       SER  15   9.562   7.155   5.001
  100    HB2  SER  15           HB2      SER  15  11.334   7.266   2.525
  101    HB3  SER  15           HB3      SER  15   9.592   7.612   2.585
  102    HG   SER  15           HG       SER  15  10.900   9.504   2.698
  103    H    LEU  16           H        LEU  16   8.137   5.715   4.414
  104    HA   LEU  16           HA       LEU  16   9.145   3.005   3.627
  105    HB2  LEU  16           HB2      LEU  16   7.658   3.313   5.669
  106    HB3  LEU  16           HB3      LEU  16   6.377   3.845   4.568
  107    HG   LEU  16           HG       LEU  16   6.534   1.616   3.395
  108   HD11  LEU  16          HD11      LEU  16   7.728  -0.207   4.543
  109   HD12  LEU  16          HD12      LEU  16   8.872   1.064   4.090
  110   HD13  LEU  16          HD13      LEU  16   8.321   0.934   5.772
  111   HD21  LEU  16          HD21      LEU  16   5.941   1.576   6.374
  112   HD22  LEU  16          HD22      LEU  16   4.826   2.066   5.082
  113   HD23  LEU  16          HD23      LEU  16   5.372   0.384   5.181
  114    H    LYS  17           H        LYS  17   7.943   1.882   1.968
  115    HA   LYS  17           HA       LYS  17   6.287   3.411   0.038
  116    HB2  LYS  17           HB2      LYS  17   8.286   3.707  -1.059
  117    HB3  LYS  17           HB3      LYS  17   8.990   2.211  -0.407
  118    HG2  LYS  17           HG2      LYS  17   8.680   1.996  -2.765
  119    HG3  LYS  17           HG3      LYS  17   7.598   0.872  -1.928
  120    HD2  LYS  17           HD2      LYS  17   5.751   2.585  -2.261
  121    HD3  LYS  17           HD3      LYS  17   6.887   3.514  -3.268
  122    HE2  LYS  17           HE2      LYS  17   6.048   0.635  -3.766
  123    HE3  LYS  17           HE3      LYS  17   5.407   2.055  -4.613
  124    HZ1  LYS  17           HZ1      LYS  17   8.222   1.188  -4.650
  125    HZ2  LYS  17           HZ2      LYS  17   7.142   1.020  -5.877
  126    HZ3  LYS  17           HZ3      LYS  17   7.613   2.520  -5.404
  127    H    VAL  18           H        VAL  18   4.597   2.172  -0.563
  128    HA   VAL  18           HA       VAL  18   4.784  -0.803  -0.180
  129    HB   VAL  18           HB       VAL  18   2.644   1.198   0.514
  130   HG11  VAL  18          HG11      VAL  18   2.282  -1.803   0.114
  131   HG12  VAL  18          HG12      VAL  18   1.084  -0.716   0.862
  132   HG13  VAL  18          HG13      VAL  18   1.503  -0.533  -0.849
  133   HG21  VAL  18          HG21      VAL  18   4.326   0.534   2.215
  134   HG22  VAL  18          HG22      VAL  18   2.699  -0.023   2.661
  135   HG23  VAL  18          HG23      VAL  18   3.884  -1.163   1.962
  136    H    ASP  19           H        ASP  19   3.898  -2.049  -1.659
  137    HA   ASP  19           HA       ASP  19   2.870  -0.969  -4.223
  138    HB2  ASP  19           HB2      ASP  19   4.999  -1.003  -4.949
  139    HB3  ASP  19           HB3      ASP  19   5.563  -1.951  -3.576
  140    H    ASN  20           H        ASN  20   2.245  -2.751  -5.685
  141    HA   ASN  20           HA       ASN  20   1.433  -4.771  -6.294
  142    HB2  ASN  20           HB2      ASN  20   2.810  -5.770  -4.336
  143    HB3  ASN  20           HB3      ASN  20   1.249  -5.816  -3.480
  144   HD21  ASN  20          HD22      ASN  20   0.402  -7.888  -3.599
  145   HD22  ASN  20          HD21      ASN  20   0.478  -8.886  -5.027
  146    H    LEU  21           H        LEU  21  -0.508  -4.197  -7.037
  147    HA   LEU  21           HA       LEU  21  -2.781  -3.918  -5.113
  148    HB2  LEU  21           HB2      LEU  21  -2.411  -2.348  -7.678
  149    HB3  LEU  21           HB3      LEU  21  -3.681  -2.132  -6.469
  150    HG   LEU  21           HG       LEU  21  -0.723  -1.566  -6.078
  151   HD11  LEU  21          HD11      LEU  21  -3.155   0.266  -6.308
  152   HD12  LEU  21          HD12      LEU  21  -1.473   0.790  -6.062
  153   HD13  LEU  21          HD13      LEU  21  -1.938   0.004  -7.581
  154   HD21  LEU  21          HD21      LEU  21  -2.991  -0.853  -4.192
  155   HD22  LEU  21          HD22      LEU  21  -1.994  -2.309  -3.983
  156   HD23  LEU  21          HD23      LEU  21  -1.228  -0.719  -3.931
  157    H    THR  22           H        THR  22  -4.913  -3.919  -6.407
  158    HA   THR  22           HA       THR  22  -4.838  -5.959  -8.569
  159    HB   THR  22           HB       THR  22  -5.464  -6.963  -6.391
  160   HG21  THR  22          HG21      THR  22  -7.605  -6.481  -5.352
  161   HG22  THR  22          HG22      THR  22  -6.666  -4.984  -5.418
  162   HG23  THR  22          HG23      THR  22  -7.988  -5.266  -6.582
  163    H    TYR  23           H        TYR  23  -5.262  -2.865  -8.237
  164    HA   TYR  23           HA       TYR  23  -6.221  -1.331  -9.605
  165    HB2  TYR  23           HB2      TYR  23  -6.821  -2.115 -11.556
  166    HB3  TYR  23           HB3      TYR  23  -6.984  -3.739 -10.902
  167    HD1  TYR  23           HD2      TYR  23  -9.314  -4.102  -9.511
  168    HD2  TYR  23           HD1      TYR  23  -8.638  -1.219 -12.631
  169    HE1  TYR  23           HE2      TYR  23 -11.740  -4.029  -9.959
  170    HE2  TYR  23           HE1      TYR  23 -11.077  -1.138 -13.095
  171    HH   TYR  23           HH       TYR  23 -13.153  -1.938 -12.509
  172    H    ARG  24           H        ARG  24  -7.691  -2.988  -7.173
  173    HA   ARG  24           HA       ARG  24  -9.929  -0.988  -6.975
  174    HB2  ARG  24           HB2      ARG  24 -10.706  -3.198  -7.666
  175    HB3  ARG  24           HB3      ARG  24  -9.906  -3.930  -6.271
  176    HG2  ARG  24           HG2      ARG  24 -11.429  -2.651  -4.752
  177    HG3  ARG  24           HG3      ARG  24 -12.164  -1.880  -6.178
  178    HD2  ARG  24           HD2      ARG  24 -13.577  -3.710  -5.511
  179    HD3  ARG  24           HD3      ARG  24 -12.757  -4.163  -7.020
  180    HE   ARG  24           HE       ARG  24 -11.280  -5.026  -4.669
  181   HH11  ARG  24          HH11      ARG  24 -14.012  -5.876  -6.750
  182   HH12  ARG  24          HH12      ARG  24 -13.938  -7.573  -6.338
  183   HH21  ARG  24          HH21      ARG  24 -11.219  -7.239  -4.145
  184   HH22  ARG  24          HH22      ARG  24 -12.353  -8.345  -4.889
  185    H    THR  25           H        THR  25  -7.085  -2.222  -5.477
  186    HA   THR  25           HA       THR  25  -7.851  -2.131  -2.746
  187    HB   THR  25           HB       THR  25  -5.185  -1.660  -4.126
  188   HG21  THR  25          HG21      THR  25  -5.833  -2.158  -1.185
  189   HG22  THR  25          HG22      THR  25  -4.203  -2.221  -1.904
  190   HG23  THR  25          HG23      THR  25  -5.105  -0.688  -1.882
  191    H    SER  26           H        SER  26  -6.577   0.444  -4.899
  192    HA   SER  26           HA       SER  26  -6.549   2.687  -4.737
  193    HB2  SER  26           HB2      SER  26  -9.012   2.020  -3.107
  194    HB3  SER  26           HB3      SER  26  -8.569   3.689  -3.510
  195    HG   SER  26           HG       SER  26  -9.959   2.709  -5.058
  196    HA   PRO  27           HA       PRO  27  -4.179   4.225  -1.358
  197    HB2  PRO  27           HB2      PRO  27  -4.879   6.880  -1.323
  198    HB3  PRO  27           HB3      PRO  27  -3.797   6.122  -2.533
  199    HG2  PRO  27           HG2      PRO  27  -6.720   6.825  -2.767
  200    HG3  PRO  27           HG3      PRO  27  -5.422   7.024  -3.987
  201    HD2  PRO  27           HD2      PRO  27  -7.227   4.963  -4.004
  202    HD3  PRO  27           HD3      PRO  27  -5.568   4.764  -4.607
  203    H    ASP  28           H        ASP  28  -7.680   4.603  -1.317
  204    HA   ASP  28           HA       ASP  28  -7.947   5.674   1.330
  205    HB2  ASP  28           HB2      ASP  28  -9.729   4.001  -0.466
  206    HB3  ASP  28           HB3      ASP  28 -10.276   4.727   1.062
  207    H    THR  29           H        THR  29  -8.127   2.280   0.064
  208    HA   THR  29           HA       THR  29  -8.680   1.153   2.652
  209    HB   THR  29           HB       THR  29  -7.335  -0.207   0.291
  210   HG21  THR  29          HG21      THR  29  -7.354  -1.520   2.364
  211   HG22  THR  29          HG22      THR  29  -9.103  -1.234   2.552
  212   HG23  THR  29          HG23      THR  29  -8.501  -2.209   1.192
  213    H    LEU  30           H        LEU  30  -5.720   1.671   0.699
  214    HA   LEU  30           HA       LEU  30  -3.928   0.330   2.451
  215    HB2  LEU  30           HB2      LEU  30  -3.506   2.738   0.633
  216    HB3  LEU  30           HB3      LEU  30  -2.211   1.770   1.341
  217    HG   LEU  30           HG       LEU  30  -4.358   0.537  -0.418
  218   HD11  LEU  30          HD11      LEU  30  -3.237   2.330  -1.661
  219   HD12  LEU  30          HD12      LEU  30  -1.640   1.663  -1.227
  220   HD13  LEU  30          HD13      LEU  30  -2.735   0.743  -2.281
  221   HD21  LEU  30          HD21      LEU  30  -1.533  -0.296   0.362
  222   HD22  LEU  30          HD22      LEU  30  -3.041  -0.999   0.999
  223   HD23  LEU  30          HD23      LEU  30  -2.615  -1.205  -0.715
  224    H    ARG  31           H        ARG  31  -5.416   3.572   2.571
  225    HA   ARG  31           HA       ARG  31  -3.542   4.734   4.330
  226    HB2  ARG  31           HB2      ARG  31  -5.673   5.696   3.005
  227    HB3  ARG  31           HB3      ARG  31  -6.491   5.369   4.533
  228    HG2  ARG  31           HG2      ARG  31  -4.164   7.234   3.988
  229    HG3  ARG  31           HG3      ARG  31  -5.788   7.649   4.575
  230    HD2  ARG  31           HD2      ARG  31  -5.251   6.356   6.682
  231    HD3  ARG  31           HD3      ARG  31  -3.607   6.154   6.064
  232    HE   ARG  31           HE       ARG  31  -3.168   8.453   6.373
  233   HH11  ARG  31          HH11      ARG  31  -6.505   7.659   7.261
  234   HH12  ARG  31          HH12      ARG  31  -6.746   9.159   8.123
  235   HH21  ARG  31          HH21      ARG  31  -3.508  10.376   7.513
  236   HH22  ARG  31          HH22      ARG  31  -5.059  10.690   8.263
  237    H    ARG  32           H        ARG  32  -6.698   3.178   5.064
  238    HA   ARG  32           HA       ARG  32  -6.091   3.249   7.933
  239    HB2  ARG  32           HB2      ARG  32  -8.353   2.298   8.162
  240    HB3  ARG  32           HB3      ARG  32  -8.345   3.684   7.052
  241    HG2  ARG  32           HG2      ARG  32  -7.907   1.647   5.276
  242    HG3  ARG  32           HG3      ARG  32  -8.850   0.785   6.504
  243    HD2  ARG  32           HD2      ARG  32  -9.595   3.394   5.122
  244    HD3  ARG  32           HD3      ARG  32 -10.252   1.798   4.708
  245    HE   ARG  32           HE       ARG  32 -10.742   2.144   7.446
  246   HH11  ARG  32          HH11      ARG  32 -11.667   3.770   4.447
  247   HH12  ARG  32          HH12      ARG  32 -13.185   4.352   5.091
  248   HH21  ARG  32          HH21      ARG  32 -12.727   2.898   8.256
  249   HH22  ARG  32          HH22      ARG  32 -13.782   3.858   7.240
  250    H    VAL  33           H        VAL  33  -5.225   1.139   5.458
  251    HA   VAL  33           HA       VAL  33  -5.103  -1.246   7.199
  252    HB   VAL  33           HB       VAL  33  -4.428  -0.582   4.332
  253   HG11  VAL  33          HG11      VAL  33  -3.688  -3.124   5.836
  254   HG12  VAL  33          HG12      VAL  33  -3.711  -2.969   4.060
  255   HG13  VAL  33          HG13      VAL  33  -2.575  -1.999   5.014
  256   HG21  VAL  33          HG21      VAL  33  -6.143  -2.721   5.690
  257   HG22  VAL  33          HG22      VAL  33  -6.772  -1.206   5.030
  258   HG23  VAL  33          HG23      VAL  33  -6.048  -2.412   3.932
  259    H    PHE  34           H        PHE  34  -3.168   1.537   6.496
  260    HA   PHE  34           HA       PHE  34  -0.749   0.111   7.552
  261    HB2  PHE  34           HB2      PHE  34  -1.144   2.108   5.317
  262    HB3  PHE  34           HB3      PHE  34   0.373   2.081   6.189
  263    HD1  PHE  34           HD2      PHE  34   1.710   0.021   6.374
  264    HD2  PHE  34           HD1      PHE  34  -1.539   0.455   3.618
  265    HE1  PHE  34           HE2      PHE  34   2.615  -1.881   5.011
  266    HE2  PHE  34           HE1      PHE  34  -0.637  -1.386   2.232
  267    HZ   PHE  34           HZ       PHE  34   1.444  -2.586   2.960
  268    H    GLU  35           H        GLU  35  -2.630   3.187   7.526
  269    HA   GLU  35           HA       GLU  35  -0.807   4.369   9.310
  270    HB2  GLU  35           HB2      GLU  35  -2.318   6.190   9.480
  271    HB3  GLU  35           HB3      GLU  35  -2.650   5.492   7.897
  272    HG2  GLU  35           HG2      GLU  35  -4.771   5.871   8.725
  273    HG3  GLU  35           HG3      GLU  35  -4.514   4.159   9.096
  274    H    LYS  36           H        LYS  36  -3.135   1.912   9.706
  275    HA   LYS  36           HA       LYS  36  -4.153   2.374  12.279
  276    HB2  LYS  36           HB2      LYS  36  -4.710   0.003  12.241
  277    HB3  LYS  36           HB3      LYS  36  -5.019   0.729  10.647
  278    HG2  LYS  36           HG2      LYS  36  -2.702  -0.126   9.957
  279    HG3  LYS  36           HG3      LYS  36  -2.695  -1.048  11.474
  280    HD2  LYS  36           HD2      LYS  36  -4.595  -1.342   9.129
  281    HD3  LYS  36           HD3      LYS  36  -3.429  -2.530   9.744
  282    HE2  LYS  36           HE2      LYS  36  -4.759  -2.509  11.920
  283    HE3  LYS  36           HE3      LYS  36  -5.978  -1.536  11.058
  284    HZ1  LYS  36           HZ1      LYS  36  -5.080  -4.225  10.276
  285    HZ2  LYS  36           HZ2      LYS  36  -6.515  -3.868  10.997
  286    HZ3  LYS  36           HZ3      LYS  36  -6.201  -3.318   9.481
  287    H    TYR  37           H        TYR  37  -1.063   0.988  11.206
  288    HA   TYR  37           HA       TYR  37  -0.427  -0.029  13.815
  289    HB2  TYR  37           HB2      TYR  37   1.307   0.581  11.388
  290    HB3  TYR  37           HB3      TYR  37   1.868  -0.292  12.828
  291    HD1  TYR  37           HD2      TYR  37   1.088  -2.544  13.332
  292    HD2  TYR  37           HD1      TYR  37  -0.190  -0.480   9.779
  293    HE1  TYR  37           HE2      TYR  37   0.232  -4.681  12.405
  294    HE2  TYR  37           HE1      TYR  37  -1.033  -2.597   8.842
  295    HH   TYR  37           HH       TYR  37  -1.328  -4.863   9.176
  296    H    GLY  38           H        GLY  38  -0.195   3.088  12.258
  297    HA2  GLY  38           HA2      GLY  38   0.486   4.370  14.734
  298    HA3  GLY  38           HA3      GLY  38   1.899   4.317  13.653
  299    H    ARG  39           H        ARG  39   1.361   5.040  11.283
  300    HA   ARG  39           HA       ARG  39  -0.892   6.746  10.828
  301    HB2  ARG  39           HB2      ARG  39   0.862   8.053  12.420
  302    HB3  ARG  39           HB3      ARG  39   1.692   8.310  10.876
  303    HG2  ARG  39           HG2      ARG  39   0.264  10.192  11.410
  304    HG3  ARG  39           HG3      ARG  39  -0.338   9.376   9.953
  305    HD2  ARG  39           HD2      ARG  39  -2.068   8.261  11.244
  306    HD3  ARG  39           HD3      ARG  39  -1.363   8.843  12.768
  307    HE   ARG  39           HE       ARG  39  -1.858  11.192  11.567
  308   HH11  ARG  39          HH11      ARG  39  -3.949   8.319  11.744
  309   HH12  ARG  39          HH12      ARG  39  -5.410   9.264  11.769
  310   HH21  ARG  39          HH21      ARG  39  -3.802  12.371  11.584
  311   HH22  ARG  39          HH22      ARG  39  -5.338  11.545  11.641
  312    H    VAL  40           H        VAL  40  -0.644   7.974   8.770
  313    HA   VAL  40           HA       VAL  40   1.391   6.802   6.942
  314    HB   VAL  40           HB       VAL  40  -1.620   7.011   6.593
  315   HG11  VAL  40          HG11      VAL  40   0.486   6.648   4.431
  316   HG12  VAL  40          HG12      VAL  40  -1.252   6.325   4.238
  317   HG13  VAL  40          HG13      VAL  40  -0.690   7.984   4.541
  318   HG21  VAL  40          HG21      VAL  40  -0.351   4.888   7.433
  319   HG22  VAL  40          HG22      VAL  40  -1.486   4.690   6.057
  320   HG23  VAL  40          HG23      VAL  40   0.257   4.776   5.773
  321    H    GLY  41           H        GLY  41   2.664   8.536   6.880
  322    HA2  GLY  41           HA2      GLY  41   1.897  11.254   6.821
  323    HA3  GLY  41           HA3      GLY  41   3.429  10.583   6.215
  324    H    ASP  42           H        ASP  42   2.047   8.825   4.223
  325    HA   ASP  42           HA       ASP  42   0.762  10.673   2.339
  326    HB2  ASP  42           HB2      ASP  42   3.575   9.568   2.039
  327    HB3  ASP  42           HB3      ASP  42   2.593   9.954   0.625
  328    H    VAL  43           H        VAL  43  -0.443   9.511   0.822
  329    HA   VAL  43           HA       VAL  43   0.120   6.671   0.411
  330    HB   VAL  43           HB       VAL  43  -1.520   7.217   2.473
  331   HG11  VAL  43          HG11      VAL  43  -3.453   6.893   0.166
  332   HG12  VAL  43          HG12      VAL  43  -3.852   6.865   1.892
  333   HG13  VAL  43          HG13      VAL  43  -3.258   8.365   1.159
  334   HG21  VAL  43          HG21      VAL  43  -2.526   4.973   2.148
  335   HG22  VAL  43          HG22      VAL  43  -1.700   4.900   0.568
  336   HG23  VAL  43          HG23      VAL  43  -0.773   5.059   2.106
  337    H    TYR  44           H        TYR  44   0.133   6.531  -1.766
  338    HA   TYR  44           HA       TYR  44  -2.198   7.547  -3.223
  339    HB2  TYR  44           HB2      TYR  44  -1.182   9.129  -4.560
  340    HB3  TYR  44           HB3      TYR  44  -0.521   9.490  -2.973
  341    HD1  TYR  44           HD2      TYR  44   0.124   8.217  -6.330
  342    HD2  TYR  44           HD1      TYR  44   1.879   9.002  -2.491
  343    HE1  TYR  44           HE2      TYR  44   2.376   8.038  -7.345
  344    HE2  TYR  44           HE1      TYR  44   4.149   8.885  -3.500
  345    HH   TYR  44           HH       TYR  44   5.364   8.545  -5.415
  346    H    ILE  45           H        ILE  45  -2.052   7.031  -5.584
  347    HA   ILE  45           HA       ILE  45  -0.415   4.577  -6.065
  348    HB   ILE  45           HB       ILE  45  -3.291   5.214  -6.791
  349   HG12  ILE  45          HG12      ILE  45  -3.726   2.968  -5.935
  350   HG13  ILE  45          HG13      ILE  45  -2.005   2.723  -5.608
  351   HG21  ILE  45          HG21      ILE  45  -2.145   4.450  -8.850
  352   HG22  ILE  45          HG22      ILE  45  -1.443   3.082  -7.966
  353   HG23  ILE  45          HG23      ILE  45  -3.201   3.178  -8.232
  354   HD11  ILE  45          HD11      ILE  45  -3.555   4.975  -4.302
  355   HD12  ILE  45          HD12      ILE  45  -3.550   3.318  -3.646
  356   HD13  ILE  45          HD13      ILE  45  -2.030   4.208  -3.770
  357    HA   PRO  46           HA       PRO  46   1.075   7.321  -9.371
  358    HB2  PRO  46           HB2      PRO  46   3.091   5.701 -10.236
  359    HB3  PRO  46           HB3      PRO  46   3.186   6.660  -8.734
  360    HG2  PRO  46           HG2      PRO  46   2.425   3.748  -9.038
  361    HG3  PRO  46           HG3      PRO  46   3.584   4.497  -7.871
  362    HD2  PRO  46           HD2      PRO  46   1.010   3.866  -7.220
  363    HD3  PRO  46           HD3      PRO  46   1.853   5.291  -6.526
  364    H    ARG  47           H        ARG  47  -1.304   6.358  -9.973
  365    HA   ARG  47           HA       ARG  47  -1.466   4.230 -11.850
  366    HB2  ARG  47           HB2      ARG  47  -3.732   4.946 -12.192
  367    HB3  ARG  47           HB3      ARG  47  -3.355   5.146 -10.473
  368    HG2  ARG  47           HG2      ARG  47  -2.984   7.563 -10.846
  369    HG3  ARG  47           HG3      ARG  47  -3.316   7.319 -12.593
  370    HD2  ARG  47           HD2      ARG  47  -5.299   6.674 -10.381
  371    HD3  ARG  47           HD3      ARG  47  -5.294   8.192 -11.297
  372    HE   ARG  47           HE       ARG  47  -5.332   6.324 -13.285
  373   HH11  ARG  47          HH11      ARG  47  -7.374   6.803 -10.441
  374   HH12  ARG  47          HH12      ARG  47  -8.778   6.081 -11.196
  375   HH21  ARG  47          HH21      ARG  47  -7.117   5.381 -14.213
  376   HH22  ARG  47          HH22      ARG  47  -8.647   5.299 -13.360
  377    H    ASP  48           H        ASP  48  -2.937   5.132 -13.962
  378    HA   ASP  48           HA       ASP  48  -0.987   5.658 -15.901
  379    HB2  ASP  48           HB2      ASP  48  -2.811   5.597 -17.399
  380    HB3  ASP  48           HB3      ASP  48  -3.318   4.561 -16.062
  381    H    ARG  49           H        ARG  49  -1.619   7.342 -17.684
  382    HA   ARG  49           HA       ARG  49  -2.295  10.039 -16.639
  383    HB2  ARG  49           HB2      ARG  49   0.013   9.354 -18.523
  384    HB3  ARG  49           HB3      ARG  49  -0.482  10.988 -18.058
  385    HG2  ARG  49           HG2      ARG  49   0.604   8.886 -16.154
  386    HG3  ARG  49           HG3      ARG  49   1.554  10.166 -16.929
  387    HD2  ARG  49           HD2      ARG  49   0.032  11.880 -15.901
  388    HD3  ARG  49           HD3      ARG  49  -0.800  10.597 -15.020
  389    HE   ARG  49           HE       ARG  49   1.944  11.610 -14.556
  390   HH11  ARG  49          HH11      ARG  49  -0.607   9.314 -13.667
  391   HH12  ARG  49          HH12      ARG  49   0.109   8.946 -12.118
  392   HH21  ARG  49          HH21      ARG  49   2.876  11.066 -12.543
  393   HH22  ARG  49          HH22      ARG  49   2.080   9.918 -11.490
  394    H    TYR  50           H        TYR  50  -2.906   7.514 -18.785
  395    HA   TYR  50           HA       TYR  50  -3.967   9.303 -20.860
  396    HB2  TYR  50           HB2      TYR  50  -2.480   8.497 -22.543
  397    HB3  TYR  50           HB3      TYR  50  -1.479   9.003 -21.160
  398    HD1  TYR  50           HD2      TYR  50  -0.480   7.282 -19.639
  399    HD2  TYR  50           HD1      TYR  50  -2.401   6.256 -23.346
  400    HE1  TYR  50           HE2      TYR  50   0.637   5.066 -19.601
  401    HE2  TYR  50           HE1      TYR  50  -1.282   4.041 -23.317
  402    HH   TYR  50           HH       TYR  50   0.148   2.648 -22.197
  403    H    THR  51           H        THR  51  -4.761   6.920 -18.934
  404    HA   THR  51           HA       THR  51  -6.271   5.446 -21.013
  405    HB   THR  51           HB       THR  51  -5.804   3.306 -19.953
  406   HG21  THR  51          HG21      THR  51  -3.469   3.020 -20.543
  407   HG22  THR  51          HG22      THR  51  -4.235   4.114 -21.718
  408   HG23  THR  51          HG23      THR  51  -3.189   4.772 -20.434
  409    H    LYS  52           H        LYS  52  -7.395   3.589 -19.124
  410    HA   LYS  52           HA       LYS  52  -9.038   5.403 -17.425
  411    HB2  LYS  52           HB2      LYS  52 -10.029   3.152 -19.227
  412    HB3  LYS  52           HB3      LYS  52 -10.997   4.001 -18.010
  413    HG2  LYS  52           HG2      LYS  52 -11.600   5.122 -19.905
  414    HG3  LYS  52           HG3      LYS  52 -10.316   6.168 -19.287
  415    HD2  LYS  52           HD2      LYS  52  -8.728   5.115 -20.925
  416    HD3  LYS  52           HD3      LYS  52 -10.037   4.045 -21.470
  417    HE2  LYS  52           HE2      LYS  52 -11.360   6.021 -22.147
  418    HE3  LYS  52           HE3      LYS  52 -10.070   7.092 -21.585
  419    HZ1  LYS  52           HZ1      LYS  52  -9.803   5.096 -23.735
  420    HZ2  LYS  52           HZ2      LYS  52  -9.940   6.720 -23.946
  421    HZ3  LYS  52           HZ3      LYS  52  -8.608   6.106 -23.215
  422    H    GLU  53           H        GLU  53  -6.699   3.661 -16.810
  423    HA   GLU  53           HA       GLU  53  -7.949   2.064 -14.655
  424    HB2  GLU  53           HB2      GLU  53  -6.509   0.126 -15.206
  425    HB3  GLU  53           HB3      GLU  53  -7.674   0.477 -16.490
  426    HG2  GLU  53           HG2      GLU  53  -5.930   1.625 -17.792
  427    HG3  GLU  53           HG3      GLU  53  -4.761   1.377 -16.482
  428    H    SER  54           H        SER  54  -5.688   0.935 -13.569
  429    HA   SER  54           HA       SER  54  -3.856   3.242 -13.091
  430    HB2  SER  54           HB2      SER  54  -5.189   1.503 -10.988
  431    HB3  SER  54           HB3      SER  54  -3.985   2.769 -10.679
  432    HG   SER  54           HG       SER  54  -6.161   3.485 -10.411
  433    H    ARG  55           H        ARG  55  -1.858   2.491 -11.875
  434    HA   ARG  55           HA       ARG  55  -0.759   0.159 -13.198
  435    HB2  ARG  55           HB2      ARG  55   0.333   1.940 -10.987
  436    HB3  ARG  55           HB3      ARG  55   1.252   0.690 -11.846
  437    HG2  ARG  55           HG2      ARG  55   0.031   3.187 -13.076
  438    HG3  ARG  55           HG3      ARG  55   1.748   2.849 -12.781
  439    HD2  ARG  55           HD2      ARG  55   1.590   2.333 -15.018
  440    HD3  ARG  55           HD3      ARG  55   1.287   0.741 -14.315
  441    HE   ARG  55           HE       ARG  55  -0.952   2.586 -15.055
  442   HH11  ARG  55          HH11      ARG  55   0.676  -0.531 -15.508
  443   HH12  ARG  55          HH12      ARG  55  -0.644  -1.195 -16.443
  444   HH21  ARG  55          HH21      ARG  55  -2.621   1.694 -16.282
  445   HH22  ARG  55          HH22      ARG  55  -2.514   0.049 -16.854
  446    H    GLY  56           H        GLY  56   0.605  -1.377 -11.758
  447    HA2  GLY  56           HA2      GLY  56  -1.359  -2.786 -10.059
  448    HA3  GLY  56           HA3      GLY  56   0.105  -3.465 -10.792
  449    H    PHE  57           H        PHE  57   0.490  -0.377  -9.193
  450    HA   PHE  57           HA       PHE  57   1.207  -1.566  -6.584
  451    HB2  PHE  57           HB2      PHE  57   3.428  -0.920  -6.617
  452    HB3  PHE  57           HB3      PHE  57   3.189  -1.774  -8.143
  453    HD1  PHE  57           HD1      PHE  57   2.595  -0.124 -10.204
  454    HD2  PHE  57           HD2      PHE  57   4.547   1.042  -6.563
  455    HE1  PHE  57           HE1      PHE  57   3.565   1.857 -11.354
  456    HE2  PHE  57           HE2      PHE  57   5.536   3.006  -7.713
  457    HZ   PHE  57           HZ       PHE  57   5.017   3.440 -10.087
  458    H    ALA  58           H        ALA  58   1.673   0.015  -5.005
  459    HA   ALA  58           HA       ALA  58   0.394   2.656  -5.535
  460    HB1  ALA  58           HB1      ALA  58   0.478   0.936  -3.020
  461    HB2  ALA  58           HB2      ALA  58  -0.235   2.563  -3.123
  462    HB3  ALA  58           HB3      ALA  58  -0.945   1.239  -4.052
  463    H    PHE  59           H        PHE  59   1.133   3.766  -3.093
  464    HA   PHE  59           HA       PHE  59   3.999   3.612  -2.609
  465    HB2  PHE  59           HB2      PHE  59   3.244   5.075  -4.835
  466    HB3  PHE  59           HB3      PHE  59   3.106   6.301  -3.595
  467    HD1  PHE  59           HD1      PHE  59   5.421   5.879  -1.827
  468    HD2  PHE  59           HD2      PHE  59   5.095   5.329  -6.087
  469    HE1  PHE  59           HE1      PHE  59   7.857   6.265  -2.075
  470    HE2  PHE  59           HE2      PHE  59   7.520   5.687  -6.325
  471    HZ   PHE  59           HZ       PHE  59   8.910   6.175  -4.314
  472    H    VAL  60           H        VAL  60   2.463   2.930  -0.766
  473    HA   VAL  60           HA       VAL  60   1.624   5.384   0.638
  474    HB   VAL  60           HB       VAL  60   0.956   4.282   2.362
  475   HG11  VAL  60          HG11      VAL  60  -0.017   2.077   1.895
  476   HG12  VAL  60          HG12      VAL  60  -0.283   3.271   0.598
  477   HG13  VAL  60          HG13      VAL  60   0.904   1.991   0.371
  478   HG21  VAL  60          HG21      VAL  60   2.894   3.624   3.386
  479   HG22  VAL  60          HG22      VAL  60   1.839   2.225   3.393
  480   HG23  VAL  60          HG23      VAL  60   3.201   2.317   2.222
  481    H    ARG  61           H        ARG  61   2.868   6.653   1.966
  482    HA   ARG  61           HA       ARG  61   5.636   5.736   2.518
  483    HB2  ARG  61           HB2      ARG  61   6.192   7.070   0.766
  484    HB3  ARG  61           HB3      ARG  61   4.815   8.185   0.985
  485    HG2  ARG  61           HG2      ARG  61   5.901   9.161   2.961
  486    HG3  ARG  61           HG3      ARG  61   7.217   7.969   2.855
  487    HD2  ARG  61           HD2      ARG  61   7.803   8.862   0.597
  488    HD3  ARG  61           HD3      ARG  61   6.535  10.087   0.777
  489    HE   ARG  61           HE       ARG  61   8.358  10.131   3.016
  490   HH11  ARG  61          HH11      ARG  61   8.060  11.114  -0.373
  491   HH12  ARG  61          HH12      ARG  61   9.195  12.433  -0.202
  492   HH21  ARG  61          HH21      ARG  61   9.832  11.856   3.200
  493   HH22  ARG  61          HH22      ARG  61  10.180  12.855   1.807
  494    H    PHE  62           H        PHE  62   6.411   5.974   4.255
  495    HA   PHE  62           HA       PHE  62   4.666   7.238   6.352
  496    HB2  PHE  62           HB2      PHE  62   6.683   5.010   6.430
  497    HB3  PHE  62           HB3      PHE  62   6.221   5.896   7.877
  498    HD1  PHE  62           HD2      PHE  62   3.895   5.026   5.044
  499    HD2  PHE  62           HD1      PHE  62   5.108   4.295   9.110
  500    HE1  PHE  62           HE2      PHE  62   1.853   3.729   5.391
  501    HE2  PHE  62           HE1      PHE  62   3.073   2.919   9.455
  502    HZ   PHE  62           HZ       PHE  62   1.467   2.611   7.631
  503    H    HIS  63           H        HIS  63   5.439   8.652   7.782
  504    HA   HIS  63           HA       HIS  63   7.771  10.264   6.971
  505    HB2  HIS  63           HB2      HIS  63   6.695  11.857   8.606
  506    HB3  HIS  63           HB3      HIS  63   5.634  11.387   7.269
  507    HD2  HIS  63           HD2      HIS  63   3.343  11.799   8.681
  508    HE1  HIS  63           HE1      HIS  63   3.937   8.706  11.529
  509    HE2  HIS  63           HE2      HIS  63   2.276  10.426  10.611
  510    H    ASP  64           H        ASP  64   7.159   7.678   9.032
  511    HA   ASP  64           HA       ASP  64   9.448   8.358  10.762
  512    HB2  ASP  64           HB2      ASP  64   7.404   9.203  11.903
  513    HB3  ASP  64           HB3      ASP  64   6.720   7.569  11.858
  514    H    LYS  65           H        LYS  65  10.731   6.685  10.472
  515    HA   LYS  65           HA       LYS  65  10.068   4.255   9.292
  516    HB2  LYS  65           HB2      LYS  65  12.313   3.575   9.849
  517    HB3  LYS  65           HB3      LYS  65  12.304   5.308   9.466
  518    HG2  LYS  65           HG2      LYS  65  12.069   5.663  12.043
  519    HG3  LYS  65           HG3      LYS  65  12.588   3.970  12.171
  520    HD2  LYS  65           HD2      LYS  65  14.081   6.251  10.798
  521    HD3  LYS  65           HD3      LYS  65  14.512   5.508  12.349
  522    HE2  LYS  65           HE2      LYS  65  14.965   3.370  11.223
  523    HE3  LYS  65           HE3      LYS  65  14.436   4.046   9.672
  524    HZ1  LYS  65           HZ1      LYS  65  16.219   5.628   9.814
  525    HZ2  LYS  65           HZ2      LYS  65  16.735   5.010  11.253
  526    HZ3  LYS  65           HZ3      LYS  65  16.821   4.110   9.880
  527    H    ARG  66           H        ARG  66   9.705   5.176  12.679
  528    HA   ARG  66           HA       ARG  66   9.846   2.482  13.725
  529    HB2  ARG  66           HB2      ARG  66   8.491   4.979  14.825
  530    HB3  ARG  66           HB3      ARG  66   8.878   3.511  15.750
  531    HG2  ARG  66           HG2      ARG  66  10.851   5.450  14.464
  532    HG3  ARG  66           HG3      ARG  66  10.544   5.229  16.194
  533    HD2  ARG  66           HD2      ARG  66  11.403   2.900  16.026
  534    HD3  ARG  66           HD3      ARG  66  11.717   3.154  14.294
  535    HE   ARG  66           HE       ARG  66  12.978   5.073  16.138
  536   HH11  ARG  66          HH11      ARG  66  13.338   2.110  14.232
  537   HH12  ARG  66          HH12      ARG  66  15.078   2.207  14.206
  538   HH21  ARG  66          HH21      ARG  66  15.241   5.200  16.034
  539   HH22  ARG  66          HH22      ARG  66  16.157   3.946  15.231
  540    H    ASP  67           H        ASP  67   7.132   4.666  12.799
  541    HA   ASP  67           HA       ASP  67   5.088   2.709  13.332
  542    HB2  ASP  67           HB2      ASP  67   5.104   5.122  11.464
  543    HB3  ASP  67           HB3      ASP  67   3.678   4.192  11.941
  544    H    ALA  68           H        ALA  68   7.291   3.375  10.646
  545    HA   ALA  68           HA       ALA  68   5.827   1.783   8.719
  546    HB1  ALA  68           HB1      ALA  68   7.887   2.125   7.384
  547    HB2  ALA  68           HB2      ALA  68   7.302   3.655   8.091
  548    HB3  ALA  68           HB3      ALA  68   8.695   2.809   8.810
  549    H    GLU  69           H        GLU  69   8.463   1.191  11.076
  550    HA   GLU  69           HA       GLU  69   9.381  -1.288  10.080
  551    HB2  GLU  69           HB2      GLU  69   9.300   0.090  12.770
  552    HB3  GLU  69           HB3      GLU  69   9.684  -1.632  12.706
  553    HG2  GLU  69           HG2      GLU  69  11.517  -1.174  11.103
  554    HG3  GLU  69           HG3      GLU  69  11.132   0.544  11.127
  555    H    ASP  70           H        ASP  70   6.774  -0.580  12.504
  556    HA   ASP  70           HA       ASP  70   6.288  -3.403  12.855
  557    HB2  ASP  70           HB2      ASP  70   4.479  -1.046  13.506
  558    HB3  ASP  70           HB3      ASP  70   4.348  -2.708  14.127
  559    H    ALA  71           H        ALA  71   4.643  -0.826  10.941
  560    HA   ALA  71           HA       ALA  71   2.488  -2.428  10.040
  561    HB1  ALA  71           HB1      ALA  71   3.890  -0.146   8.578
  562    HB2  ALA  71           HB2      ALA  71   2.237  -0.740   8.295
  563    HB3  ALA  71           HB3      ALA  71   2.646   0.057   9.830
  564    H    MET  72           H        MET  72   5.737  -1.848   8.600
  565    HA   MET  72           HA       MET  72   5.320  -3.447   6.272
  566    HB2  MET  72           HB2      MET  72   7.100  -1.823   6.403
  567    HB3  MET  72           HB3      MET  72   7.767  -2.576   7.861
  568    HG2  MET  72           HG2      MET  72   8.608  -4.419   6.730
  569    HG3  MET  72           HG3      MET  72   7.618  -4.135   5.288
  570    HE1  MET  72           HE1      MET  72  10.958  -1.133   6.428
  571    HE2  MET  72           HE2      MET  72   9.263  -0.996   6.938
  572    HE3  MET  72           HE3      MET  72  10.266  -2.327   7.569
  573    H    ASP  73           H        ASP  73   6.670  -4.217   9.517
  574    HA   ASP  73           HA       ASP  73   7.258  -6.944   8.854
  575    HB2  ASP  73           HB2      ASP  73   8.332  -5.623  10.678
  576    HB3  ASP  73           HB3      ASP  73   6.789  -5.641  11.562
  577    H    ALA  74           H        ALA  74   4.269  -5.413   9.102
  578    HA   ALA  74           HA       ALA  74   2.947  -7.968   9.835
  579    HB1  ALA  74           HB1      ALA  74   2.149  -5.132  10.613
  580    HB2  ALA  74           HB2      ALA  74   1.216  -6.603  10.973
  581    HB3  ALA  74           HB3      ALA  74   2.821  -6.361  11.699
  582    H    MET  75           H        MET  75   3.591  -6.078   7.255
  583    HA   MET  75           HA       MET  75   0.908  -6.585   6.071
  584    HB2  MET  75           HB2      MET  75   2.527  -4.030   6.014
  585    HB3  MET  75           HB3      MET  75   1.393  -4.417   4.732
  586    HG2  MET  75           HG2      MET  75   0.685  -4.276   7.693
  587    HG3  MET  75           HG3      MET  75   0.353  -3.026   6.489
  588    HE1  MET  75           HE1      MET  75  -2.058  -5.036   4.037
  589    HE2  MET  75           HE2      MET  75  -0.915  -3.672   4.188
  590    HE3  MET  75           HE3      MET  75  -0.309  -5.338   4.025
  591    H    ASP  76           H        ASP  76   4.420  -6.796   5.660
  592    HA   ASP  76           HA       ASP  76   4.345  -6.888   2.818
  593    HB2  ASP  76           HB2      ASP  76   6.407  -6.642   4.185
  594    HB3  ASP  76           HB3      ASP  76   6.232  -8.320   4.726
  595    H    GLY  77           H        GLY  77   3.465  -8.347   1.482
  596    HA2  GLY  77           HA2      GLY  77   2.524 -10.252   0.654
  597    HA3  GLY  77           HA3      GLY  77   3.552 -11.164   1.783
  598    H    ALA  78           H        ALA  78   1.119  -8.745   2.667
  599    HA   ALA  78           HA       ALA  78  -0.150 -10.722   4.448
  600    HB1  ALA  78           HB1      ALA  78   0.583  -8.557   5.349
  601    HB2  ALA  78           HB2      ALA  78  -0.479  -7.711   4.195
  602    HB3  ALA  78           HB3      ALA  78  -1.171  -8.732   5.484
  603    H    VAL  79           H        VAL  79  -0.653 -10.007   1.323
  604    HA   VAL  79           HA       VAL  79  -2.485  -9.764  -0.051
  605    HB   VAL  79           HB       VAL  79  -2.208 -11.988  -0.317
  606   HG11  VAL  79          HG11      VAL  79  -2.748 -13.742   1.313
  607   HG12  VAL  79          HG12      VAL  79  -1.520 -12.605   1.905
  608   HG13  VAL  79          HG13      VAL  79  -3.206 -12.492   2.498
  609   HG21  VAL  79          HG21      VAL  79  -4.229 -13.013  -0.609
  610   HG22  VAL  79          HG22      VAL  79  -5.018 -12.100   0.694
  611   HG23  VAL  79          HG23      VAL  79  -4.490 -11.265  -0.804
  612    H    LEU  80           H        LEU  80  -3.115  -7.828   0.809
  613    HA   LEU  80           HA       LEU  80  -5.177  -7.331   2.611
  614    HB2  LEU  80           HB2      LEU  80  -3.590  -5.772   1.713
  615    HB3  LEU  80           HB3      LEU  80  -4.181  -6.005   0.070
  616    HG   LEU  80           HG       LEU  80  -5.976  -4.839   2.220
  617   HD11  LEU  80          HD11      LEU  80  -3.776  -3.630   2.055
  618   HD12  LEU  80          HD12      LEU  80  -4.039  -3.450   0.315
  619   HD13  LEU  80          HD13      LEU  80  -5.143  -2.641   1.468
  620   HD21  LEU  80          HD21      LEU  80  -6.901  -3.701   0.135
  621   HD22  LEU  80          HD22      LEU  80  -5.798  -4.720  -0.830
  622   HD23  LEU  80          HD23      LEU  80  -7.111  -5.457   0.102
  623    H    ASP  81           H        ASP  81  -5.417  -8.595  -0.714
  624    HA   ASP  81           HA       ASP  81  -8.398  -8.478  -0.460
  625    HB2  ASP  81           HB2      ASP  81  -7.672  -6.592  -1.835
  626    HB3  ASP  81           HB3      ASP  81  -6.742  -7.689  -2.877
  627    H    GLY  82           H        GLY  82  -5.611  -9.862  -2.253
  628    HA2  GLY  82           HA2      GLY  82  -6.025 -12.488  -1.795
  629    HA3  GLY  82           HA3      GLY  82  -7.187 -12.191  -3.126
  630    H    ARG  83           H        ARG  83  -4.045 -10.608  -2.656
  631    HA   ARG  83           HA       ARG  83  -2.830 -12.275  -4.827
  632    HB2  ARG  83           HB2      ARG  83  -1.717 -10.080  -5.558
  633    HB3  ARG  83           HB3      ARG  83  -3.414 -10.301  -6.010
  634    HG2  ARG  83           HG2      ARG  83  -4.191  -8.783  -4.355
  635    HG3  ARG  83           HG3      ARG  83  -2.662  -8.817  -3.470
  636    HD2  ARG  83           HD2      ARG  83  -1.608  -7.811  -5.600
  637    HD3  ARG  83           HD3      ARG  83  -3.268  -7.370  -6.035
  638    HE   ARG  83           HE       ARG  83  -1.588  -6.120  -4.076
  639   HH11  ARG  83          HH11      ARG  83  -4.970  -7.062  -4.521
  640   HH12  ARG  83          HH12      ARG  83  -5.566  -5.764  -3.505
  641   HH21  ARG  83          HH21      ARG  83  -2.388  -4.506  -2.739
  642   HH22  ARG  83          HH22      ARG  83  -4.117  -4.343  -2.486
  643    H    GLU  84           H        GLU  84  -2.246  -9.930  -2.242
  644    HA   GLU  84           HA       GLU  84  -0.597 -10.631  -0.472
  645    HB2  GLU  84           HB2      GLU  84   0.877 -11.208  -2.979
  646    HB3  GLU  84           HB3      GLU  84   1.789 -10.372  -1.698
  647    HG2  GLU  84           HG2      GLU  84   1.342 -12.042  -0.086
  648    HG3  GLU  84           HG3      GLU  84   0.095 -12.802  -1.064
  649    H    LEU  85           H        LEU  85   1.054  -8.954   0.175
  650    HA   LEU  85           HA       LEU  85   0.719  -6.389  -1.314
  651    HB2  LEU  85           HB2      LEU  85  -0.281  -7.024   1.237
  652    HB3  LEU  85           HB3      LEU  85   1.246  -6.204   1.583
  653    HG   LEU  85           HG       LEU  85  -0.679  -4.684   1.598
  654   HD11  LEU  85          HD11      LEU  85   1.052  -4.128  -0.829
  655   HD12  LEU  85          HD12      LEU  85   0.195  -2.945   0.175
  656   HD13  LEU  85          HD13      LEU  85   1.563  -3.849   0.862
  657   HD21  LEU  85          HD21      LEU  85  -2.022  -5.948  -0.107
  658   HD22  LEU  85          HD22      LEU  85  -1.959  -4.193  -0.401
  659   HD23  LEU  85          HD23      LEU  85  -0.963  -5.296  -1.376
  660    H    ARG  86           H        ARG  86   2.625  -4.899  -0.787
  661    HA   ARG  86           HA       ARG  86   5.085  -6.413  -0.087
  662    HB2  ARG  86           HB2      ARG  86   4.671  -4.664  -2.556
  663    HB3  ARG  86           HB3      ARG  86   6.240  -5.256  -1.999
  664    HG2  ARG  86           HG2      ARG  86   3.911  -7.022  -2.860
  665    HG3  ARG  86           HG3      ARG  86   5.332  -6.618  -3.843
  666    HD2  ARG  86           HD2      ARG  86   6.796  -7.616  -2.069
  667    HD3  ARG  86           HD3      ARG  86   5.348  -8.110  -1.184
  668    HE   ARG  86           HE       ARG  86   6.158  -9.127  -3.879
  669   HH11  ARG  86          HH11      ARG  86   4.364  -9.508  -0.854
  670   HH12  ARG  86          HH12      ARG  86   3.947 -11.181  -1.208
  671   HH21  ARG  86          HH21      ARG  86   5.546 -11.304  -4.289
  672   HH22  ARG  86          HH22      ARG  86   4.565 -12.151  -3.111
  673    H    VAL  87           H        VAL  87   6.320  -5.289   1.288
  674    HA   VAL  87           HA       VAL  87   5.937  -2.347   1.403
  675    HB   VAL  87           HB       VAL  87   5.955  -4.156   3.852
  676   HG11  VAL  87          HG11      VAL  87   5.444  -1.197   3.346
  677   HG12  VAL  87          HG12      VAL  87   5.096  -2.004   4.892
  678   HG13  VAL  87          HG13      VAL  87   6.763  -1.944   4.271
  679   HG21  VAL  87          HG21      VAL  87   3.918  -4.702   2.738
  680   HG22  VAL  87          HG22      VAL  87   3.547  -3.607   4.078
  681   HG23  VAL  87          HG23      VAL  87   3.550  -3.014   2.390
  682    H    GLN  88           H        GLN  88   7.700  -1.218   1.739
  683    HA   GLN  88           HA       GLN  88  10.160  -2.265   2.857
  684    HB2  GLN  88           HB2      GLN  88  11.425  -2.026   0.691
  685    HB3  GLN  88           HB3      GLN  88  10.344  -3.434   0.757
  686    HG2  GLN  88           HG2      GLN  88   8.661  -2.297  -0.564
  687    HG3  GLN  88           HG3      GLN  88   9.588  -0.791  -0.545
  688   HE21  GLN  88          HE22      GLN  88   8.668  -2.301  -2.890
  689   HE22  GLN  88          HE21      GLN  88  10.108  -2.763  -3.775
  690    H    MET  89           H        MET  89  11.687  -0.643   3.148
  691    HA   MET  89           HA       MET  89  10.911   2.026   3.381
  692    HB2  MET  89           HB2      MET  89  13.613   0.710   2.990
  693    HB3  MET  89           HB3      MET  89  13.426   2.438   3.367
  694    HG2  MET  89           HG2      MET  89  12.039   0.296   5.003
  695    HG3  MET  89           HG3      MET  89  13.700   0.768   5.354
  696    HE1  MET  89           HE1      MET  89  11.048   2.310   8.032
  697    HE2  MET  89           HE2      MET  89  10.631   0.972   6.931
  698    HE3  MET  89           HE3      MET  89  12.209   0.988   7.770
  699    H    ALA  90           H        ALA  90  10.968   3.812   2.090
  700    HA   ALA  90           HA       ALA  90  10.783   3.380  -0.776
  701    HB1  ALA  90           HB1      ALA  90  10.136   5.737  -0.811
  702    HB2  ALA  90           HB2      ALA  90   9.267   4.870   0.463
  703    HB3  ALA  90           HB3      ALA  90  10.635   5.918   0.894
  704    H    ARG  91           H        ARG  91  13.512   3.525   1.030
  705    HA   ARG  91           HA       ARG  91  15.665   4.020   0.615
  706    HB2  ARG  91           HB2      ARG  91  15.088   3.025  -1.606
  707    HB3  ARG  91           HB3      ARG  91  14.852   4.663  -2.241
  708    HG2  ARG  91           HG2      ARG  91  17.409   4.484  -0.857
  709    HG3  ARG  91           HG3      ARG  91  17.274   3.185  -2.058
  710    HD2  ARG  91           HD2      ARG  91  16.706   4.782  -3.812
  711    HD3  ARG  91           HD3      ARG  91  16.688   6.114  -2.653
  712    HE   ARG  91           HE       ARG  91  19.039   4.828  -3.836
  713   HH11  ARG  91          HH11      ARG  91  17.835   6.824  -1.176
  714   HH12  ARG  91          HH12      ARG  91  19.391   7.564  -0.875
  715   HH21  ARG  91          HH21      ARG  91  21.054   5.787  -3.406
  716   HH22  ARG  91          HH22      ARG  91  21.214   6.963  -2.120
  717    H    TYR  92           H        TYR  92  13.561   6.151   1.309
  718    HA   TYR  92           HA       TYR  92  15.380   8.473   0.913
  719    HB2  TYR  92           HB2      TYR  92  12.363   8.653   1.046
  720    HB3  TYR  92           HB3      TYR  92  13.511   9.904   0.575
  721    HD1  TYR  92           HD1      TYR  92  15.102   8.950  -1.533
  722    HD2  TYR  92           HD2      TYR  92  11.028   7.900  -0.643
  723    HE1  TYR  92           HE1      TYR  92  14.746   8.320  -3.908
  724    HE2  TYR  92           HE2      TYR  92  10.675   7.208  -2.988
  725    HH   TYR  92           HH       TYR  92  13.274   7.503  -5.457
  726    H    GLY  93           H        GLY  93  14.904  10.198   2.701
  727    HA2  GLY  93           HA2      GLY  93  13.332   9.889   4.896
  728    HA3  GLY  93           HA3      GLY  93  14.675   8.794   5.256
  729    H    ARG  94           H        ARG  94  14.515  10.490   7.077
  730    HA   ARG  94           HA       ARG  94  16.786  12.348   6.729
  731    HB2  ARG  94           HB2      ARG  94  14.024  13.053   7.831
  732    HB3  ARG  94           HB3      ARG  94  15.455  14.047   8.107
  733    HG2  ARG  94           HG2      ARG  94  14.270  13.417   5.376
  734    HG3  ARG  94           HG3      ARG  94  14.069  14.926   6.283
  735    HD2  ARG  94           HD2      ARG  94  16.570  15.206   6.282
  736    HD3  ARG  94           HD3      ARG  94  16.699  13.810   5.204
  737    HE   ARG  94           HE       ARG  94  15.727  16.502   4.553
  738   HH11  ARG  94          HH11      ARG  94  15.913  13.121   3.506
  739   HH12  ARG  94          HH12      ARG  94  15.671  13.519   1.821
  740   HH21  ARG  94          HH21      ARG  94  15.372  16.966   2.360
  741   HH22  ARG  94          HH22      ARG  94  15.351  15.682   1.175
  742    HA   PRO  95           HA       PRO  95  17.823  10.548  10.606
  743    HB2  PRO  95           HB2      PRO  95  19.170  12.550  11.926
  744    HB3  PRO  95           HB3      PRO  95  19.822  11.719  10.479
  745    HG2  PRO  95           HG2      PRO  95  18.334  14.358  10.594
  746    HG3  PRO  95           HG3      PRO  95  19.884  13.996   9.762
  747    HD2  PRO  95           HD2      PRO  95  17.516  13.991   8.431
  748    HD3  PRO  95           HD3      PRO  95  18.778  12.774   8.063
  749    HA   PRO  96           HA       PRO  96  14.708  11.577  13.559
  750    HB2  PRO  96           HB2      PRO  96  15.674  10.475  15.851
  751    HB3  PRO  96           HB3      PRO  96  15.218   9.476  14.433
  752    HG2  PRO  96           HG2      PRO  96  17.981  10.464  15.206
  753    HG3  PRO  96           HG3      PRO  96  17.489   8.792  14.777
  754    HD2  PRO  96           HD2      PRO  96  18.606  10.496  12.959
  755    HD3  PRO  96           HD3      PRO  96  17.317   9.335  12.491
  756    H    ASP  97           H        ASP  97  17.723  13.108  13.583
  757    HA   ASP  97           HA       ASP  97  18.629  14.876  14.631
  758    HB2  ASP  97           HB2      ASP  97  16.593  15.834  13.550
  759    HB3  ASP  97           HB3      ASP  97  15.748  15.699  15.094
  760    H    SER  98           H        SER  98  17.877  12.471  16.376
  761    HA   SER  98           HA       SER  98  18.582  13.813  18.912
  762    HB2  SER  98           HB2      SER  98  16.841  12.635  20.161
  763    HB3  SER  98           HB3      SER  98  16.093  13.643  18.900
  764    HG   SER  98           HG       SER  98  15.223  11.525  18.918
  765    H    HIS  99           H        HIS  99  18.679  11.143  16.735
  766    HA   HIS  99           HA       HIS  99  19.576   9.063  16.788
  767    HB2  HIS  99           HB2      HIS  99  21.674  10.516  18.425
  768    HB3  HIS  99           HB3      HIS  99  21.908   9.030  17.498
  769    HD2  HIS  99           HD2      HIS  99  22.823  12.445  17.137
  770    HE1  HIS  99           HE1      HIS  99  21.647  11.490  13.167
  771    HE2  HIS  99           HE2      HIS  99  22.890  13.167  14.627
  772    H    HIS 100           H        HIS 100  17.628   9.487  18.947
  773    HA   HIS 100           HA       HIS 100  18.521   7.305  20.727
  774    HB2  HIS 100           HB2      HIS 100  19.097   9.512  21.762
  775    HB3  HIS 100           HB3      HIS 100  17.383   9.936  21.736
  776    HD2  HIS 100           HD2      HIS 100  16.291   9.568  24.045
  777    HE1  HIS 100           HE1      HIS 100  18.539   6.227  25.419
  778    HE2  HIS 100           HE2      HIS 100  16.678   7.860  26.003
  779    H    SER 101           H        SER 101  16.372   8.104  18.511
  780    HA   SER 101           HA       SER 101  14.234   6.498  19.725
  781    HB2  SER 101           HB2      SER 101  12.495   8.146  19.181
  782    HB3  SER 101           HB3      SER 101  13.639   8.799  20.376
  783    HG   SER 101           HG       SER 101  13.597   9.314  17.586
  Start of MODEL   14
    1    H    MET   1           H1       MET   1  17.199 -19.129  28.891
    2    HA   MET   1           HA       MET   1  17.899 -16.374  28.170
    3    HB2  MET   1           HB2      MET   1  19.267 -19.016  27.515
    4    HB3  MET   1           HB3      MET   1  19.700 -17.437  26.833
    5    HG2  MET   1           HG2      MET   1  19.807 -18.209  29.771
    6    HG3  MET   1           HG3      MET   1  21.187 -18.053  28.688
    7    HE1  MET   1           HE1      MET   1  22.403 -16.521  30.419
    8    HE2  MET   1           HE2      MET   1  21.679 -15.070  31.153
    9    HE3  MET   1           HE3      MET   1  21.014 -16.679  31.520
   10    H    SER   2           H        SER   2  17.554 -15.779  26.010
   11    HA   SER   2           HA       SER   2  16.243 -17.653  24.173
   12    HB2  SER   2           HB2      SER   2  14.321 -16.054  23.858
   13    HB3  SER   2           HB3      SER   2  14.296 -16.924  25.412
   14    HG   SER   2           HG       SER   2  13.906 -14.682  25.661
   15    H    TYR   3           H        TYR   3  15.508 -16.347  22.170
   16    HA   TYR   3           HA       TYR   3  17.046 -13.900  21.656
   17    HB2  TYR   3           HB2      TYR   3  18.125 -14.734  19.709
   18    HB3  TYR   3           HB3      TYR   3  18.538 -15.830  21.027
   19    HD1  TYR   3           HD2      TYR   3  17.337 -18.070  21.191
   20    HD2  TYR   3           HD1      TYR   3  17.053 -15.502  17.751
   21    HE1  TYR   3           HE2      TYR   3  16.497 -19.980  19.835
   22    HE2  TYR   3           HE1      TYR   3  16.236 -17.408  16.388
   23    HH   TYR   3           HH       TYR   3  15.675 -19.627  16.365
   24    H    GLY   4           H        GLY   4  16.493 -13.286  19.250
   25    HA2  GLY   4           HA2      GLY   4  13.780 -14.078  18.407
   26    HA3  GLY   4           HA3      GLY   4  13.996 -12.394  18.919
   27    H    ARG   5           H        ARG   5  13.187 -12.434  16.486
   28    HA   ARG   5           HA       ARG   5  14.923 -13.070  14.366
   29    HB2  ARG   5           HB2      ARG   5  12.784 -10.920  14.597
   30    HB3  ARG   5           HB3      ARG   5  13.562 -11.412  13.083
   31    HG2  ARG   5           HG2      ARG   5  12.828 -13.760  13.476
   32    HG3  ARG   5           HG3      ARG   5  11.957 -13.241  14.932
   33    HD2  ARG   5           HD2      ARG   5  11.476 -12.152  12.134
   34    HD3  ARG   5           HD3      ARG   5  10.507 -13.424  12.901
   35    HE   ARG   5           HE       ARG   5  10.221 -11.560  14.756
   36   HH11  ARG   5          HH11      ARG   5  10.172 -11.108  11.238
   37   HH12  ARG   5          HH12      ARG   5   9.127  -9.709  11.334
   38   HH21  ARG   5          HH21      ARG   5   8.866  -9.737  14.824
   39   HH22  ARG   5          HH22      ARG   5   8.376  -8.955  13.343
   40    HA   PRO   6           HA       PRO   6  18.034  -9.918  14.598
   41    HB2  PRO   6           HB2      PRO   6  18.964  -9.926  12.024
   42    HB3  PRO   6           HB3      PRO   6  19.218 -11.305  13.146
   43    HG2  PRO   6           HG2      PRO   6  17.061 -10.984  11.038
   44    HG3  PRO   6           HG3      PRO   6  18.136 -12.394  11.312
   45    HD2  PRO   6           HD2      PRO   6  15.603 -12.289  12.322
   46    HD3  PRO   6           HD3      PRO   6  16.942 -13.043  13.241
   47    HA   PRO   7           HA       PRO   7  16.193  -6.154  13.133
   48    HB2  PRO   7           HB2      PRO   7  18.322  -4.478  12.841
   49    HB3  PRO   7           HB3      PRO   7  17.819  -5.113  14.438
   50    HG2  PRO   7           HG2      PRO   7  19.984  -6.187  12.601
   51    HG3  PRO   7           HG3      PRO   7  20.117  -5.801  14.349
   52    HD2  PRO   7           HD2      PRO   7  19.639  -8.335  13.462
   53    HD3  PRO   7           HD3      PRO   7  18.863  -7.719  14.953
   54    HA   PRO   8           HA       PRO   8  16.655  -5.954   8.671
   55    HB2  PRO   8           HB2      PRO   8  15.278  -3.722   8.081
   56    HB3  PRO   8           HB3      PRO   8  14.489  -5.023   9.005
   57    HG2  PRO   8           HG2      PRO   8  15.802  -2.524  10.128
   58    HG3  PRO   8           HG3      PRO   8  14.155  -3.154  10.464
   59    HD2  PRO   8           HD2      PRO   8  16.379  -3.697  12.014
   60    HD3  PRO   8           HD3      PRO   8  14.971  -4.818  11.871
   61    H    ASP   9           H        ASP   9  16.801  -3.067   7.618
   62    HA   ASP   9           HA       ASP   9  19.570  -2.337   8.352
   63    HB2  ASP   9           HB2      ASP   9  18.739  -2.977   5.494
   64    HB3  ASP   9           HB3      ASP   9  20.291  -2.303   6.016
   65    H    VAL  10           H        VAL  10  16.982  -1.074   8.800
   66    HA   VAL  10           HA       VAL  10  16.536   1.074   6.983
   67    HB   VAL  10           HB       VAL  10  15.262   2.074   8.837
   68   HG11  VAL  10          HG11      VAL  10  14.266   0.298   7.457
   69   HG12  VAL  10          HG12      VAL  10  14.877  -0.938   8.588
   70   HG13  VAL  10          HG13      VAL  10  13.657   0.233   9.121
   71   HG21  VAL  10          HG21      VAL  10  16.758   1.501  10.726
   72   HG22  VAL  10          HG22      VAL  10  15.102   0.921  11.004
   73   HG23  VAL  10          HG23      VAL  10  16.371  -0.223  10.518
   74    H    GLU  11           H        GLU  11  19.345   0.506   8.254
   75    HA   GLU  11           HA       GLU  11  20.241   2.796   9.643
   76    HB2  GLU  11           HB2      GLU  11  21.614   0.729   7.871
   77    HB3  GLU  11           HB3      GLU  11  22.491   1.932   8.851
   78    HG2  GLU  11           HG2      GLU  11  21.359   1.075  10.886
   79    HG3  GLU  11           HG3      GLU  11  20.555  -0.167   9.915
   80    H    GLY  12           H        GLY  12  18.884   2.959   6.639
   81    HA2  GLY  12           HA2      GLY  12  20.427   5.364   5.968
   82    HA3  GLY  12           HA3      GLY  12  20.482   4.047   4.780
   83    H    MET  13           H        MET  13  17.481   4.126   6.483
   84    HA   MET  13           HA       MET  13  16.207   5.914   4.498
   85    HB2  MET  13           HB2      MET  13  15.255   3.061   4.953
   86    HB3  MET  13           HB3      MET  13  14.583   4.273   3.854
   87    HG2  MET  13           HG2      MET  13  15.770   2.903   2.434
   88    HG3  MET  13           HG3      MET  13  16.876   4.253   2.691
   89    HE1  MET  13           HE1      MET  13  17.269  -0.061   4.337
   90    HE2  MET  13           HE2      MET  13  15.972   1.025   4.887
   91    HE3  MET  13           HE3      MET  13  16.053   0.511   3.181
   92    H    THR  14           H        THR  14  13.856   6.233   5.030
   93    HA   THR  14           HA       THR  14  13.083   5.517   7.776
   94    HB   THR  14           HB       THR  14  13.232   8.396   6.780
   95   HG21  THR  14          HG21      THR  14  11.173   7.997   8.141
   96   HG22  THR  14          HG22      THR  14  12.174   7.328   9.439
   97   HG23  THR  14          HG23      THR  14  12.337   9.038   8.976
   98    H    SER  15           H        SER  15  12.277   6.963   4.603
   99    HA   SER  15           HA       SER  15   9.428   6.948   5.088
  100    HB2  SER  15           HB2      SER  15   9.381   7.298   2.571
  101    HB3  SER  15           HB3      SER  15  10.346   8.488   3.476
  102    HG   SER  15           HG       SER  15  11.459   7.699   1.663
  103    H    LEU  16           H        LEU  16   7.858   5.554   4.168
  104    HA   LEU  16           HA       LEU  16   8.985   2.830   3.615
  105    HB2  LEU  16           HB2      LEU  16   8.293   3.169   5.936
  106    HB3  LEU  16           HB3      LEU  16   6.639   3.548   5.411
  107    HG   LEU  16           HG       LEU  16   7.128   1.201   6.345
  108   HD11  LEU  16          HD11      LEU  16   5.384   0.253   5.097
  109   HD12  LEU  16          HD12      LEU  16   5.046   1.972   5.196
  110   HD13  LEU  16          HD13      LEU  16   5.705   1.294   3.683
  111   HD21  LEU  16          HD21      LEU  16   9.160   0.859   4.893
  112   HD22  LEU  16          HD22      LEU  16   7.963  -0.449   4.850
  113   HD23  LEU  16          HD23      LEU  16   8.053   0.706   3.504
  114    H    LYS  17           H        LYS  17   8.438   2.033   1.750
  115    HA   LYS  17           HA       LYS  17   6.154   3.203   0.274
  116    HB2  LYS  17           HB2      LYS  17   8.034   3.506  -0.984
  117    HB3  LYS  17           HB3      LYS  17   8.794   2.004  -0.441
  118    HG2  LYS  17           HG2      LYS  17   8.297   1.678  -2.693
  119    HG3  LYS  17           HG3      LYS  17   7.074   0.740  -1.820
  120    HD2  LYS  17           HD2      LYS  17   5.490   2.676  -2.085
  121    HD3  LYS  17           HD3      LYS  17   6.743   3.508  -3.052
  122    HE2  LYS  17           HE2      LYS  17   5.449   0.857  -3.729
  123    HE3  LYS  17           HE3      LYS  17   5.099   2.418  -4.493
  124    HZ1  LYS  17           HZ1      LYS  17   6.648   1.067  -5.751
  125    HZ2  LYS  17           HZ2      LYS  17   7.326   2.504  -5.299
  126    HZ3  LYS  17           HZ3      LYS  17   7.730   1.109  -4.523
  127    H    VAL  18           H        VAL  18   4.546   2.043  -0.500
  128    HA   VAL  18           HA       VAL  18   4.538  -0.930  -0.027
  129    HB   VAL  18           HB       VAL  18   2.478   1.205   0.420
  130   HG11  VAL  18          HG11      VAL  18   1.982  -1.796   0.169
  131   HG12  VAL  18          HG12      VAL  18   0.793  -0.628   0.808
  132   HG13  VAL  18          HG13      VAL  18   1.322  -0.525  -0.874
  133   HG21  VAL  18          HG21      VAL  18   4.029   0.521   2.277
  134   HG22  VAL  18          HG22      VAL  18   2.303   0.280   2.640
  135   HG23  VAL  18          HG23      VAL  18   3.326  -1.108   2.203
  136    H    ASP  19           H        ASP  19   3.719  -2.138  -1.561
  137    HA   ASP  19           HA       ASP  19   3.027  -1.039  -4.239
  138    HB2  ASP  19           HB2      ASP  19   5.079  -3.158  -3.440
  139    HB3  ASP  19           HB3      ASP  19   4.523  -2.890  -5.097
  140    H    ASN  20           H        ASN  20   2.551  -3.007  -5.683
  141    HA   ASN  20           HA       ASN  20   1.306  -4.698  -6.349
  142    HB2  ASN  20           HB2      ASN  20   2.703  -5.917  -4.613
  143    HB3  ASN  20           HB3      ASN  20   1.239  -5.913  -3.617
  144   HD21  ASN  20          HD22      ASN  20   0.989  -8.209  -3.799
  145   HD22  ASN  20          HD21      ASN  20   0.466  -8.968  -5.290
  146    H    LEU  21           H        LEU  21  -0.632  -4.202  -7.013
  147    HA   LEU  21           HA       LEU  21  -2.857  -3.944  -5.045
  148    HB2  LEU  21           HB2      LEU  21  -2.501  -2.232  -7.528
  149    HB3  LEU  21           HB3      LEU  21  -3.750  -2.053  -6.283
  150    HG   LEU  21           HG       LEU  21  -0.776  -1.540  -5.965
  151   HD11  LEU  21          HD11      LEU  21  -1.998   0.056  -7.403
  152   HD12  LEU  21          HD12      LEU  21  -3.206   0.298  -6.119
  153   HD13  LEU  21          HD13      LEU  21  -1.525   0.817  -5.865
  154   HD21  LEU  21          HD21      LEU  21  -2.199  -2.326  -3.889
  155   HD22  LEU  21          HD22      LEU  21  -1.113  -0.939  -3.771
  156   HD23  LEU  21          HD23      LEU  21  -2.878  -0.689  -3.984
  157    H    THR  22           H        THR  22  -4.979  -3.990  -6.172
  158    HA   THR  22           HA       THR  22  -4.944  -5.698  -8.613
  159    HB   THR  22           HB       THR  22  -5.635  -7.019  -6.695
  160   HG21  THR  22          HG21      THR  22  -6.483  -5.306  -5.172
  161   HG22  THR  22          HG22      THR  22  -7.807  -4.912  -6.296
  162   HG23  THR  22          HG23      THR  22  -7.757  -6.496  -5.495
  163    H    TYR  23           H        TYR  23  -4.882  -2.834  -8.547
  164    HA   TYR  23           HA       TYR  23  -5.817  -1.062  -9.548
  165    HB2  TYR  23           HB2      TYR  23  -6.296  -1.735 -11.597
  166    HB3  TYR  23           HB3      TYR  23  -6.618  -3.358 -11.004
  167    HD1  TYR  23           HD2      TYR  23  -8.993  -3.943 -10.214
  168    HD2  TYR  23           HD1      TYR  23  -8.042  -0.362 -12.402
  169    HE1  TYR  23           HE2      TYR  23 -11.387  -3.673 -10.797
  170    HE2  TYR  23           HE1      TYR  23 -10.432  -0.097 -13.017
  171    HH   TYR  23           HH       TYR  23 -12.554  -0.960 -12.833
  172    H    ARG  24           H        ARG  24  -7.593  -2.825  -7.371
  173    HA   ARG  24           HA       ARG  24  -9.606  -0.638  -7.077
  174    HB2  ARG  24           HB2      ARG  24 -10.580  -2.603  -8.176
  175    HB3  ARG  24           HB3      ARG  24 -10.002  -3.649  -6.883
  176    HG2  ARG  24           HG2      ARG  24 -11.553  -2.594  -5.298
  177    HG3  ARG  24           HG3      ARG  24 -11.957  -1.330  -6.491
  178    HD2  ARG  24           HD2      ARG  24 -12.907  -3.049  -7.982
  179    HD3  ARG  24           HD3      ARG  24 -12.482  -4.314  -6.811
  180    HE   ARG  24           HE       ARG  24 -14.051  -2.365  -5.473
  181   HH11  ARG  24          HH11      ARG  24 -14.400  -4.808  -8.012
  182   HH12  ARG  24          HH12      ARG  24 -16.085  -5.094  -7.661
  183   HH21  ARG  24          HH21      ARG  24 -16.245  -2.759  -5.045
  184   HH22  ARG  24          HH22      ARG  24 -17.137  -3.926  -5.992
  185    H    THR  25           H        THR  25  -6.944  -1.984  -5.792
  186    HA   THR  25           HA       THR  25  -7.569  -2.368  -3.033
  187    HB   THR  25           HB       THR  25  -5.057  -1.247  -4.340
  188   HG21  THR  25          HG21      THR  25  -5.106  -0.847  -1.937
  189   HG22  THR  25          HG22      THR  25  -5.542  -2.543  -1.625
  190   HG23  THR  25          HG23      THR  25  -3.944  -2.145  -2.306
  191    H    SER  26           H        SER  26  -6.658   0.518  -4.894
  192    HA   SER  26           HA       SER  26  -6.753   2.703  -4.578
  193    HB2  SER  26           HB2      SER  26  -9.080   1.948  -2.778
  194    HB3  SER  26           HB3      SER  26  -8.754   3.595  -3.352
  195    HG   SER  26           HG       SER  26  -8.971   2.829  -5.478
  196    HA   PRO  27           HA       PRO  27  -4.284   4.193  -1.269
  197    HB2  PRO  27           HB2      PRO  27  -5.051   6.843  -1.212
  198    HB3  PRO  27           HB3      PRO  27  -3.944   6.113  -2.412
  199    HG2  PRO  27           HG2      PRO  27  -6.883   6.742  -2.675
  200    HG3  PRO  27           HG3      PRO  27  -5.574   6.950  -3.887
  201    HD2  PRO  27           HD2      PRO  27  -7.333   4.863  -3.920
  202    HD3  PRO  27           HD3      PRO  27  -5.649   4.681  -4.464
  203    H    ASP  28           H        ASP  28  -7.816   4.705  -1.061
  204    HA   ASP  28           HA       ASP  28  -7.742   5.720   1.638
  205    HB2  ASP  28           HB2      ASP  28  -9.615   5.987   0.013
  206    HB3  ASP  28           HB3      ASP  28  -9.938   4.241   0.177
  207    H    THR  29           H        THR  29  -8.224   2.419   0.225
  208    HA   THR  29           HA       THR  29  -8.806   1.185   2.747
  209    HB   THR  29           HB       THR  29  -7.446  -0.084   0.352
  210   HG21  THR  29          HG21      THR  29  -8.706  -2.099   1.098
  211   HG22  THR  29          HG22      THR  29  -7.605  -1.502   2.362
  212   HG23  THR  29          HG23      THR  29  -9.346  -1.174   2.473
  213    H    LEU  30           H        LEU  30  -5.835   1.728   0.834
  214    HA   LEU  30           HA       LEU  30  -4.067   0.333   2.566
  215    HB2  LEU  30           HB2      LEU  30  -3.643   2.733   0.727
  216    HB3  LEU  30           HB3      LEU  30  -2.331   1.783   1.433
  217    HG   LEU  30           HG       LEU  30  -4.475   0.497  -0.281
  218   HD11  LEU  30          HD11      LEU  30  -1.809   1.702  -1.149
  219   HD12  LEU  30          HD12      LEU  30  -2.902   0.735  -2.172
  220   HD13  LEU  30          HD13      LEU  30  -3.436   2.310  -1.556
  221   HD21  LEU  30          HD21      LEU  30  -3.075  -1.003   1.101
  222   HD22  LEU  30          HD22      LEU  30  -2.693  -1.193  -0.626
  223   HD23  LEU  30          HD23      LEU  30  -1.601  -0.255   0.411
  224    H    ARG  31           H        ARG  31  -5.395   3.660   2.633
  225    HA   ARG  31           HA       ARG  31  -3.522   4.766   4.408
  226    HB2  ARG  31           HB2      ARG  31  -5.598   5.780   3.055
  227    HB3  ARG  31           HB3      ARG  31  -6.469   5.483   4.550
  228    HG2  ARG  31           HG2      ARG  31  -4.083   7.300   4.068
  229    HG3  ARG  31           HG3      ARG  31  -5.711   7.741   4.614
  230    HD2  ARG  31           HD2      ARG  31  -5.261   6.459   6.739
  231    HD3  ARG  31           HD3      ARG  31  -3.596   6.226   6.172
  232    HE   ARG  31           HE       ARG  31  -3.173   8.561   6.368
  233   HH11  ARG  31          HH11      ARG  31  -6.399   7.673   7.529
  234   HH12  ARG  31          HH12      ARG  31  -6.579   9.129   8.480
  235   HH21  ARG  31          HH21      ARG  31  -3.455  10.458   7.588
  236   HH22  ARG  31          HH22      ARG  31  -4.934  10.708   8.484
  237    H    ARG  32           H        ARG  32  -6.733   3.335   5.167
  238    HA   ARG  32           HA       ARG  32  -6.123   3.393   8.033
  239    HB2  ARG  32           HB2      ARG  32  -8.416   2.531   8.256
  240    HB3  ARG  32           HB3      ARG  32  -8.370   3.872   7.103
  241    HG2  ARG  32           HG2      ARG  32  -7.928   1.757   5.415
  242    HG3  ARG  32           HG3      ARG  32  -8.963   0.985   6.632
  243    HD2  ARG  32           HD2      ARG  32  -9.561   3.560   5.124
  244    HD3  ARG  32           HD3      ARG  32 -10.249   1.970   4.748
  245    HE   ARG  32           HE       ARG  32 -10.853   2.436   7.435
  246   HH11  ARG  32          HH11      ARG  32 -11.535   4.020   4.335
  247   HH12  ARG  32          HH12      ARG  32 -13.062   4.668   4.880
  248   HH21  ARG  32          HH21      ARG  32 -12.833   3.326   8.108
  249   HH22  ARG  32          HH22      ARG  32 -13.796   4.280   7.004
  250    H    VAL  33           H        VAL  33  -5.251   1.276   5.584
  251    HA   VAL  33           HA       VAL  33  -5.209  -1.113   7.336
  252    HB   VAL  33           HB       VAL  33  -4.606  -0.487   4.450
  253   HG11  VAL  33          HG11      VAL  33  -3.856  -3.068   5.886
  254   HG12  VAL  33          HG12      VAL  33  -3.910  -2.857   4.123
  255   HG13  VAL  33          HG13      VAL  33  -2.750  -1.928   5.089
  256   HG21  VAL  33          HG21      VAL  33  -6.928  -1.062   5.284
  257   HG22  VAL  33          HG22      VAL  33  -6.300  -2.233   4.105
  258   HG23  VAL  33          HG23      VAL  33  -6.290  -2.620   5.849
  259    H    PHE  34           H        PHE  34  -3.245   1.614   6.593
  260    HA   PHE  34           HA       PHE  34  -0.809   0.175   7.587
  261    HB2  PHE  34           HB2      PHE  34  -1.278   2.169   5.378
  262    HB3  PHE  34           HB3      PHE  34   0.228   2.241   6.236
  263    HD1  PHE  34           HD2      PHE  34   1.691   0.206   6.402
  264    HD2  PHE  34           HD1      PHE  34  -1.621   0.500   3.695
  265    HE1  PHE  34           HE2      PHE  34   2.639  -1.668   5.054
  266    HE2  PHE  34           HE1      PHE  34  -0.668  -1.312   2.318
  267    HZ   PHE  34           HZ       PHE  34   1.458  -2.445   3.043
  268    H    GLU  35           H        GLU  35  -2.634   3.298   7.588
  269    HA   GLU  35           HA       GLU  35  -0.776   4.492   9.303
  270    HB2  GLU  35           HB2      GLU  35  -2.272   6.310   9.467
  271    HB3  GLU  35           HB3      GLU  35  -2.632   5.555   7.911
  272    HG2  GLU  35           HG2      GLU  35  -4.757   5.922   8.742
  273    HG3  GLU  35           HG3      GLU  35  -4.459   4.251   9.259
  274    H    LYS  36           H        LYS  36  -3.102   2.052   9.788
  275    HA   LYS  36           HA       LYS  36  -4.052   2.531  12.392
  276    HB2  LYS  36           HB2      LYS  36  -4.662   0.165  12.349
  277    HB3  LYS  36           HB3      LYS  36  -4.984   0.907  10.768
  278    HG2  LYS  36           HG2      LYS  36  -2.705  -0.005  10.024
  279    HG3  LYS  36           HG3      LYS  36  -2.677  -0.921  11.546
  280    HD2  LYS  36           HD2      LYS  36  -4.641  -1.173   9.250
  281    HD3  LYS  36           HD3      LYS  36  -3.484  -2.384   9.844
  282    HE2  LYS  36           HE2      LYS  36  -4.761  -2.352  12.029
  283    HE3  LYS  36           HE3      LYS  36  -5.976  -1.333  11.216
  284    HZ1  LYS  36           HZ1      LYS  36  -6.305  -3.085   9.630
  285    HZ2  LYS  36           HZ2      LYS  36  -5.188  -4.043  10.370
  286    HZ3  LYS  36           HZ3      LYS  36  -6.578  -3.652  11.151
  287    H    TYR  37           H        TYR  37  -1.033   1.080  11.209
  288    HA   TYR  37           HA       TYR  37  -0.325   0.027  13.779
  289    HB2  TYR  37           HB2      TYR  37   1.338   0.653  11.302
  290    HB3  TYR  37           HB3      TYR  37   1.953  -0.227  12.712
  291    HD1  TYR  37           HD1      TYR  37   1.167  -2.479  13.240
  292    HD2  TYR  37           HD2      TYR  37  -0.223  -0.383   9.747
  293    HE1  TYR  37           HE1      TYR  37   0.240  -4.596  12.353
  294    HE2  TYR  37           HE2      TYR  37  -1.126  -2.493   8.835
  295    HH   TYR  37           HH       TYR  37  -0.920  -5.593  10.632
  296    H    GLY  38           H        GLY  38  -0.092   3.160  12.266
  297    HA2  GLY  38           HA2      GLY  38   0.579   4.397  14.762
  298    HA3  GLY  38           HA3      GLY  38   2.024   4.322  13.742
  299    H    ARG  39           H        ARG  39   1.309   4.939  11.246
  300    HA   ARG  39           HA       ARG  39  -0.791   6.829  10.897
  301    HB2  ARG  39           HB2      ARG  39   1.325   7.967  12.334
  302    HB3  ARG  39           HB3      ARG  39   1.800   8.290  10.675
  303    HG2  ARG  39           HG2      ARG  39   0.591  10.176  11.145
  304    HG3  ARG  39           HG3      ARG  39  -0.691   9.193  10.421
  305    HD2  ARG  39           HD2      ARG  39  -0.088   9.203  13.398
  306    HD3  ARG  39           HD3      ARG  39  -1.131  10.441  12.667
  307    HE   ARG  39           HE       ARG  39  -2.275   8.071  11.826
  308   HH11  ARG  39          HH11      ARG  39  -1.401   9.432  14.967
  309   HH12  ARG  39          HH12      ARG  39  -2.708   8.626  15.809
  310   HH21  ARG  39          HH21      ARG  39  -3.915   7.026  12.926
  311   HH22  ARG  39          HH22      ARG  39  -4.129   7.236  14.653
  312    H    VAL  40           H        VAL  40  -0.572   8.048   8.858
  313    HA   VAL  40           HA       VAL  40   1.365   6.868   6.942
  314    HB   VAL  40           HB       VAL  40  -1.641   7.066   6.776
  315   HG11  VAL  40          HG11      VAL  40   0.245   6.894   4.398
  316   HG12  VAL  40          HG12      VAL  40  -1.512   6.601   4.380
  317   HG13  VAL  40          HG13      VAL  40  -0.896   8.230   4.730
  318   HG21  VAL  40          HG21      VAL  40  -0.329   4.917   7.355
  319   HG22  VAL  40          HG22      VAL  40  -1.470   4.808   5.982
  320   HG23  VAL  40          HG23      VAL  40   0.271   4.974   5.684
  321    H    GLY  41           H        GLY  41   2.678   8.547   6.819
  322    HA2  GLY  41           HA2      GLY  41   1.980  11.307   6.796
  323    HA3  GLY  41           HA3      GLY  41   3.482  10.590   6.168
  324    H    ASP  42           H        ASP  42   2.021   8.854   4.233
  325    HA   ASP  42           HA       ASP  42   0.674  10.653   2.362
  326    HB2  ASP  42           HB2      ASP  42   3.529   9.677   2.032
  327    HB3  ASP  42           HB3      ASP  42   2.501   9.869   0.616
  328    H    VAL  43           H        VAL  43  -0.530   9.483   0.888
  329    HA   VAL  43           HA       VAL  43   0.052   6.648   0.436
  330    HB   VAL  43           HB       VAL  43  -1.553   7.187   2.528
  331   HG11  VAL  43          HG11      VAL  43  -3.512   6.827   0.228
  332   HG12  VAL  43          HG12      VAL  43  -3.897   6.786   1.958
  333   HG13  VAL  43          HG13      VAL  43  -3.329   8.295   1.228
  334   HG21  VAL  43          HG21      VAL  43  -2.520   4.927   2.253
  335   HG22  VAL  43          HG22      VAL  43  -1.747   4.859   0.649
  336   HG23  VAL  43          HG23      VAL  43  -0.774   5.044   2.159
  337    H    TYR  44           H        TYR  44   0.043   6.524  -1.735
  338    HA   TYR  44           HA       TYR  44  -2.315   7.523  -3.153
  339    HB2  TYR  44           HB2      TYR  44  -1.326   9.100  -4.501
  340    HB3  TYR  44           HB3      TYR  44  -0.624   9.466  -2.931
  341    HD1  TYR  44           HD1      TYR  44   1.783   8.888  -2.483
  342    HD2  TYR  44           HD2      TYR  44  -0.040   8.244  -6.321
  343    HE1  TYR  44           HE1      TYR  44   4.028   8.766  -3.523
  344    HE2  TYR  44           HE2      TYR  44   2.183   8.071  -7.371
  345    HH   TYR  44           HH       TYR  44   5.209   8.472  -5.477
  346    H    ILE  45           H        ILE  45  -2.166   6.999  -5.528
  347    HA   ILE  45           HA       ILE  45  -0.498   4.572  -5.990
  348    HB   ILE  45           HB       ILE  45  -3.398   5.128  -6.695
  349   HG12  ILE  45          HG12      ILE  45  -3.799   2.903  -5.785
  350   HG13  ILE  45          HG13      ILE  45  -2.079   2.705  -5.413
  351   HG21  ILE  45          HG21      ILE  45  -1.534   2.952  -7.772
  352   HG22  ILE  45          HG22      ILE  45  -3.287   3.036  -8.050
  353   HG23  ILE  45          HG23      ILE  45  -2.220   4.282  -8.724
  354   HD11  ILE  45          HD11      ILE  45  -3.653   4.989  -4.224
  355   HD12  ILE  45          HD12      ILE  45  -3.695   3.349  -3.511
  356   HD13  ILE  45          HD13      ILE  45  -2.159   4.220  -3.627
  357    HA   PRO  46           HA       PRO  46   0.881   7.318  -9.319
  358    HB2  PRO  46           HB2      PRO  46   2.899   5.722 -10.231
  359    HB3  PRO  46           HB3      PRO  46   3.007   6.683  -8.727
  360    HG2  PRO  46           HG2      PRO  46   2.279   3.761  -9.015
  361    HG3  PRO  46           HG3      PRO  46   3.447   4.527  -7.865
  362    HD2  PRO  46           HD2      PRO  46   0.908   3.863  -7.159
  363    HD3  PRO  46           HD3      PRO  46   1.728   5.317  -6.508
  364    H    ARG  47           H        ARG  47  -1.513   6.098  -9.807
  365    HA   ARG  47           HA       ARG  47  -1.561   4.126 -11.834
  366    HB2  ARG  47           HB2      ARG  47  -3.870   4.632 -12.071
  367    HB3  ARG  47           HB3      ARG  47  -3.478   4.880 -10.368
  368    HG2  ARG  47           HG2      ARG  47  -3.244   7.353 -10.881
  369    HG3  ARG  47           HG3      ARG  47  -3.804   6.976 -12.537
  370    HD2  ARG  47           HD2      ARG  47  -5.894   6.024 -11.600
  371    HD3  ARG  47           HD3      ARG  47  -5.354   6.454  -9.976
  372    HE   ARG  47           HE       ARG  47  -5.846   8.694 -10.385
  373   HH11  ARG  47          HH11      ARG  47  -6.029   6.870 -13.416
  374   HH12  ARG  47          HH12      ARG  47  -6.790   8.181 -14.288
  375   HH21  ARG  47          HH21      ARG  47  -6.861  10.367 -11.543
  376   HH22  ARG  47          HH22      ARG  47  -7.263  10.157 -13.231
  377    H    ASP  48           H        ASP  48  -2.678   4.680 -14.091
  378    HA   ASP  48           HA       ASP  48  -0.630   6.044 -15.537
  379    HB2  ASP  48           HB2      ASP  48  -2.257   4.066 -16.162
  380    HB3  ASP  48           HB3      ASP  48  -3.295   5.384 -16.749
  381    H    ARG  49           H        ARG  49  -1.515   7.566 -17.469
  382    HA   ARG  49           HA       ARG  49  -3.220   9.696 -16.337
  383    HB2  ARG  49           HB2      ARG  49  -0.887  10.176 -15.656
  384    HB3  ARG  49           HB3      ARG  49  -0.363  10.079 -17.341
  385    HG2  ARG  49           HG2      ARG  49  -0.606  12.411 -16.479
  386    HG3  ARG  49           HG3      ARG  49  -1.578  12.091 -17.910
  387    HD2  ARG  49           HD2      ARG  49  -3.584  11.742 -16.457
  388    HD3  ARG  49           HD3      ARG  49  -2.588  12.061 -15.031
  389    HE   ARG  49           HE       ARG  49  -2.706  14.329 -15.467
  390   HH11  ARG  49          HH11      ARG  49  -3.691  12.550 -18.371
  391   HH12  ARG  49          HH12      ARG  49  -4.252  13.984 -19.193
  392   HH21  ARG  49          HH21      ARG  49  -3.425  16.180 -16.587
  393   HH22  ARG  49          HH22      ARG  49  -4.097  16.027 -18.196
  394    H    TYR  50           H        TYR  50  -2.523   7.665 -18.886
  395    HA   TYR  50           HA       TYR  50  -3.956   9.432 -20.754
  396    HB2  TYR  50           HB2      TYR  50  -2.389   8.760 -22.567
  397    HB3  TYR  50           HB3      TYR  50  -1.659   9.783 -21.331
  398    HD1  TYR  50           HD1      TYR  50  -1.752   6.372 -22.750
  399    HD2  TYR  50           HD2      TYR  50   0.101   8.990 -19.890
  400    HE1  TYR  50           HE1      TYR  50   0.080   4.723 -22.428
  401    HE2  TYR  50           HE2      TYR  50   1.932   7.352 -19.561
  402    HH   TYR  50           HH       TYR  50   2.018   4.235 -21.324
  403    H    THR  51           H        THR  51  -4.429   6.908 -19.063
  404    HA   THR  51           HA       THR  51  -5.868   5.470 -21.227
  405    HB   THR  51           HB       THR  51  -5.310   3.313 -20.261
  406   HG21  THR  51          HG21      THR  51  -3.797   4.198 -22.010
  407   HG22  THR  51          HG22      THR  51  -2.768   4.915 -20.742
  408   HG23  THR  51          HG23      THR  51  -2.944   3.153 -20.854
  409    H    LYS  52           H        LYS  52  -7.201   3.620 -19.771
  410    HA   LYS  52           HA       LYS  52  -8.767   5.291 -17.858
  411    HB2  LYS  52           HB2      LYS  52  -9.703   3.166 -19.830
  412    HB3  LYS  52           HB3      LYS  52 -10.703   3.871 -18.560
  413    HG2  LYS  52           HG2      LYS  52 -11.309   5.093 -20.429
  414    HG3  LYS  52           HG3      LYS  52 -10.206   6.162 -19.558
  415    HD2  LYS  52           HD2      LYS  52  -9.822   6.232 -21.981
  416    HD3  LYS  52           HD3      LYS  52  -8.397   5.581 -21.158
  417    HE2  LYS  52           HE2      LYS  52  -9.131   3.278 -21.727
  418    HE3  LYS  52           HE3      LYS  52 -10.587   3.929 -22.492
  419    HZ1  LYS  52           HZ1      LYS  52  -8.878   3.457 -24.100
  420    HZ2  LYS  52           HZ2      LYS  52  -9.181   5.069 -24.070
  421    HZ3  LYS  52           HZ3      LYS  52  -7.822   4.478 -23.360
  422    H    GLU  53           H        GLU  53  -6.451   3.652 -17.159
  423    HA   GLU  53           HA       GLU  53  -7.779   1.830 -15.257
  424    HB2  GLU  53           HB2      GLU  53  -6.230   0.004 -15.811
  425    HB3  GLU  53           HB3      GLU  53  -7.255   0.422 -17.193
  426    HG2  GLU  53           HG2      GLU  53  -5.429   1.750 -18.173
  427    HG3  GLU  53           HG3      GLU  53  -4.384   1.345 -16.794
  428    H    SER  54           H        SER  54  -5.586   0.715 -14.075
  429    HA   SER  54           HA       SER  54  -3.903   3.014 -13.226
  430    HB2  SER  54           HB2      SER  54  -4.304   2.309 -10.862
  431    HB3  SER  54           HB3      SER  54  -5.778   2.900 -11.676
  432    HG   SER  54           HG       SER  54  -6.160   0.989 -10.544
  433    H    ARG  55           H        ARG  55  -2.030   2.284 -11.895
  434    HA   ARG  55           HA       ARG  55  -0.738  -0.004 -13.163
  435    HB2  ARG  55           HB2      ARG  55   0.196   1.896 -10.976
  436    HB3  ARG  55           HB3      ARG  55   1.209   0.710 -11.821
  437    HG2  ARG  55           HG2      ARG  55  -0.264   3.026 -13.151
  438    HG3  ARG  55           HG3      ARG  55   1.456   3.000 -12.744
  439    HD2  ARG  55           HD2      ARG  55   1.834   1.133 -14.293
  440    HD3  ARG  55           HD3      ARG  55   0.103   1.001 -14.612
  441    HE   ARG  55           HE       ARG  55   0.173   2.834 -16.013
  442   HH11  ARG  55          HH11      ARG  55   3.261   2.586 -14.308
  443   HH12  ARG  55          HH12      ARG  55   4.047   3.767 -15.335
  444   HH21  ARG  55          HH21      ARG  55   1.210   4.326 -17.322
  445   HH22  ARG  55          HH22      ARG  55   2.884   4.758 -17.041
  446    H    GLY  56           H        GLY  56   0.670  -1.394 -11.653
  447    HA2  GLY  56           HA2      GLY  56  -1.302  -2.884 -10.039
  448    HA3  GLY  56           HA3      GLY  56   0.179  -3.528 -10.765
  449    H    PHE  57           H        PHE  57   0.467  -0.462  -9.081
  450    HA   PHE  57           HA       PHE  57   1.175  -1.724  -6.520
  451    HB2  PHE  57           HB2      PHE  57   3.410  -1.023  -6.494
  452    HB3  PHE  57           HB3      PHE  57   3.205  -1.848  -8.041
  453    HD1  PHE  57           HD1      PHE  57   2.571  -0.226 -10.087
  454    HD2  PHE  57           HD2      PHE  57   4.485   1.025  -6.440
  455    HE1  PHE  57           HE1      PHE  57   3.455   1.785 -11.239
  456    HE2  PHE  57           HE2      PHE  57   5.385   3.018  -7.601
  457    HZ   PHE  57           HZ       PHE  57   4.848   3.429  -9.976
  458    H    ALA  58           H        ALA  58   1.267  -0.261  -4.826
  459    HA   ALA  58           HA       ALA  58   0.095   2.417  -5.392
  460    HB1  ALA  58           HB1      ALA  58   0.367   0.773  -2.839
  461    HB2  ALA  58           HB2      ALA  58  -0.341   2.402  -2.921
  462    HB3  ALA  58           HB3      ALA  58  -1.132   1.082  -3.769
  463    H    PHE  59           H        PHE  59   0.940   3.687  -3.115
  464    HA   PHE  59           HA       PHE  59   3.798   3.492  -2.686
  465    HB2  PHE  59           HB2      PHE  59   3.170   4.791  -4.985
  466    HB3  PHE  59           HB3      PHE  59   2.872   6.115  -3.882
  467    HD1  PHE  59           HD2      PHE  59   5.179   5.640  -1.891
  468    HD2  PHE  59           HD1      PHE  59   5.010   5.359  -6.187
  469    HE1  PHE  59           HE2      PHE  59   7.599   6.118  -2.024
  470    HE2  PHE  59           HE1      PHE  59   7.422   5.828  -6.321
  471    HZ   PHE  59           HZ       PHE  59   8.736   6.220  -4.238
  472    H    VAL  60           H        VAL  60   2.356   2.965  -0.772
  473    HA   VAL  60           HA       VAL  60   1.585   5.481   0.553
  474    HB   VAL  60           HB       VAL  60   1.106   4.443   2.427
  475   HG11  VAL  60          HG11      VAL  60  -0.267   3.435   0.706
  476   HG12  VAL  60          HG12      VAL  60   0.817   2.063   0.568
  477   HG13  VAL  60          HG13      VAL  60  -0.039   2.366   2.108
  478   HG21  VAL  60          HG21      VAL  60   3.127   3.735   3.252
  479   HG22  VAL  60          HG22      VAL  60   2.037   2.362   3.358
  480   HG23  VAL  60          HG23      VAL  60   3.286   2.436   2.054
  481    H    ARG  61           H        ARG  61   2.930   6.622   2.154
  482    HA   ARG  61           HA       ARG  61   5.762   5.793   2.412
  483    HB2  ARG  61           HB2      ARG  61   6.232   7.130   0.716
  484    HB3  ARG  61           HB3      ARG  61   4.802   8.176   0.929
  485    HG2  ARG  61           HG2      ARG  61   5.909   9.253   2.882
  486    HG3  ARG  61           HG3      ARG  61   7.285   8.135   2.691
  487    HD2  ARG  61           HD2      ARG  61   7.960  10.111   1.593
  488    HD3  ARG  61           HD3      ARG  61   7.448   9.002   0.296
  489    HE   ARG  61           HE       ARG  61   5.517  10.995   1.375
  490   HH11  ARG  61          HH11      ARG  61   7.508   9.880  -1.338
  491   HH12  ARG  61          HH12      ARG  61   6.716  10.941  -2.480
  492   HH21  ARG  61          HH21      ARG  61   4.563  12.365  -0.106
  493   HH22  ARG  61          HH22      ARG  61   5.036  12.338  -1.793
  494    H    PHE  62           H        PHE  62   5.904   5.509   4.482
  495    HA   PHE  62           HA       PHE  62   4.454   7.209   6.393
  496    HB2  PHE  62           HB2      PHE  62   6.526   5.036   6.698
  497    HB3  PHE  62           HB3      PHE  62   5.896   5.989   8.035
  498    HD1  PHE  62           HD2      PHE  62   3.651   5.020   5.196
  499    HD2  PHE  62           HD1      PHE  62   4.972   4.179   9.213
  500    HE1  PHE  62           HE2      PHE  62   1.708   3.597   5.499
  501    HE2  PHE  62           HE1      PHE  62   3.015   2.686   9.520
  502    HZ   PHE  62           HZ       PHE  62   1.440   2.314   7.690
  503    H    HIS  63           H        HIS  63   5.433   8.585   7.836
  504    HA   HIS  63           HA       HIS  63   7.765  10.096   6.821
  505    HB2  HIS  63           HB2      HIS  63   6.782  11.801   8.432
  506    HB3  HIS  63           HB3      HIS  63   5.686  11.317   7.122
  507    HD2  HIS  63           HD2      HIS  63   3.429  11.841   8.545
  508    HE1  HIS  63           HE1      HIS  63   3.979   8.810  11.477
  509    HE2  HIS  63           HE2      HIS  63   2.353  10.543  10.534
  510    H    ASP  64           H        ASP  64   7.170   7.625   9.013
  511    HA   ASP  64           HA       ASP  64   9.491   8.358  10.688
  512    HB2  ASP  64           HB2      ASP  64   7.410   9.207  11.804
  513    HB3  ASP  64           HB3      ASP  64   6.806   7.542  11.857
  514    H    LYS  65           H        LYS  65  10.807   6.693  10.523
  515    HA   LYS  65           HA       LYS  65  10.172   4.239   9.349
  516    HB2  LYS  65           HB2      LYS  65  12.388   3.578   9.894
  517    HB3  LYS  65           HB3      LYS  65  12.381   5.319   9.532
  518    HG2  LYS  65           HG2      LYS  65  12.147   5.632  12.117
  519    HG3  LYS  65           HG3      LYS  65  12.698   3.943  12.210
  520    HD2  LYS  65           HD2      LYS  65  14.134   6.299  10.908
  521    HD3  LYS  65           HD3      LYS  65  14.616   5.469  12.391
  522    HE2  LYS  65           HE2      LYS  65  15.060   3.411  11.147
  523    HE3  LYS  65           HE3      LYS  65  14.457   4.151   9.648
  524    HZ1  LYS  65           HZ1      LYS  65  16.828   4.221   9.731
  525    HZ2  LYS  65           HZ2      LYS  65  16.226   5.741   9.776
  526    HZ3  LYS  65           HZ3      LYS  65  16.813   5.061  11.152
  527    H    ARG  66           H        ARG  66   9.735   5.200  12.715
  528    HA   ARG  66           HA       ARG  66   9.838   2.510  13.781
  529    HB2  ARG  66           HB2      ARG  66   8.537   5.059  14.840
  530    HB3  ARG  66           HB3      ARG  66   8.791   3.573  15.777
  531    HG2  ARG  66           HG2      ARG  66  10.941   5.377  14.586
  532    HG3  ARG  66           HG3      ARG  66  10.542   5.175  16.303
  533    HD2  ARG  66           HD2      ARG  66  11.184   2.751  16.116
  534    HD3  ARG  66           HD3      ARG  66  11.665   3.053  14.437
  535    HE   ARG  66           HE       ARG  66  12.936   4.835  16.374
  536   HH11  ARG  66          HH11      ARG  66  13.145   1.721  14.702
  537   HH12  ARG  66          HH12      ARG  66  14.872   1.588  14.935
  538   HH21  ARG  66          HH21      ARG  66  15.178   4.624  16.667
  539   HH22  ARG  66          HH22      ARG  66  16.023   3.225  16.046
  540    H    ASP  67           H        ASP  67   7.128   4.735  12.897
  541    HA   ASP  67           HA       ASP  67   5.085   2.784  13.398
  542    HB2  ASP  67           HB2      ASP  67   5.117   5.173  11.492
  543    HB3  ASP  67           HB3      ASP  67   3.682   4.285  12.007
  544    H    ALA  68           H        ALA  68   7.312   3.402  10.744
  545    HA   ALA  68           HA       ALA  68   5.880   1.854   8.764
  546    HB1  ALA  68           HB1      ALA  68   8.234   2.140   7.684
  547    HB2  ALA  68           HB2      ALA  68   7.278   3.626   8.020
  548    HB3  ALA  68           HB3      ALA  68   8.608   3.126   9.088
  549    H    GLU  69           H        GLU  69   8.479   1.228  11.178
  550    HA   GLU  69           HA       GLU  69   9.384  -1.254  10.155
  551    HB2  GLU  69           HB2      GLU  69   9.276   0.079  12.860
  552    HB3  GLU  69           HB3      GLU  69   9.620  -1.650  12.791
  553    HG2  GLU  69           HG2      GLU  69  11.475  -1.198  11.170
  554    HG3  GLU  69           HG3      GLU  69  11.185   0.530  11.328
  555    H    ASP  70           H        ASP  70   6.727  -0.496  12.488
  556    HA   ASP  70           HA       ASP  70   6.151  -3.312  12.828
  557    HB2  ASP  70           HB2      ASP  70   4.421  -0.893  13.462
  558    HB3  ASP  70           HB3      ASP  70   4.204  -2.550  14.060
  559    H    ALA  71           H        ALA  71   4.657  -0.686  10.854
  560    HA   ALA  71           HA       ALA  71   2.457  -2.176   9.914
  561    HB1  ALA  71           HB1      ALA  71   2.330  -0.513   8.166
  562    HB2  ALA  71           HB2      ALA  71   2.823   0.303   9.667
  563    HB3  ALA  71           HB3      ALA  71   4.021  -0.039   8.396
  564    H    MET  72           H        MET  72   5.728  -1.727   8.471
  565    HA   MET  72           HA       MET  72   5.269  -3.369   6.186
  566    HB2  MET  72           HB2      MET  72   7.042  -1.760   6.248
  567    HB3  MET  72           HB3      MET  72   7.710  -2.448   7.736
  568    HG2  MET  72           HG2      MET  72   8.539  -4.368   6.648
  569    HG3  MET  72           HG3      MET  72   7.610  -4.058   5.182
  570    HE1  MET  72           HE1      MET  72  10.236  -2.370   7.587
  571    HE2  MET  72           HE2      MET  72  11.000  -1.174   6.504
  572    HE3  MET  72           HE3      MET  72   9.304  -0.990   6.974
  573    H    ASP  73           H        ASP  73   6.584  -4.108   9.455
  574    HA   ASP  73           HA       ASP  73   7.192  -6.832   8.762
  575    HB2  ASP  73           HB2      ASP  73   8.287  -5.532  10.597
  576    HB3  ASP  73           HB3      ASP  73   6.762  -5.547  11.494
  577    H    ALA  74           H        ALA  74   4.249  -5.264   9.105
  578    HA   ALA  74           HA       ALA  74   2.874  -7.815   9.795
  579    HB1  ALA  74           HB1      ALA  74   2.127  -4.967  10.566
  580    HB2  ALA  74           HB2      ALA  74   1.166  -6.421  10.922
  581    HB3  ALA  74           HB3      ALA  74   2.774  -6.218  11.660
  582    H    MET  75           H        MET  75   3.541  -5.920   7.216
  583    HA   MET  75           HA       MET  75   0.860  -6.434   6.017
  584    HB2  MET  75           HB2      MET  75   2.485  -3.878   5.948
  585    HB3  MET  75           HB3      MET  75   1.309  -4.252   4.705
  586    HG2  MET  75           HG2      MET  75   0.692  -4.087   7.683
  587    HG3  MET  75           HG3      MET  75   0.342  -2.851   6.470
  588    HE1  MET  75           HE1      MET  75  -0.420  -5.093   4.044
  589    HE2  MET  75           HE2      MET  75  -2.177  -4.812   4.112
  590    HE3  MET  75           HE3      MET  75  -1.038  -3.444   4.246
  591    H    ASP  76           H        ASP  76   4.385  -6.530   5.645
  592    HA   ASP  76           HA       ASP  76   4.326  -6.698   2.787
  593    HB2  ASP  76           HB2      ASP  76   6.366  -6.237   4.133
  594    HB3  ASP  76           HB3      ASP  76   6.318  -7.893   4.756
  595    H    GLY  77           H        GLY  77   3.260  -8.197   1.649
  596    HA2  GLY  77           HA2      GLY  77   2.547 -10.210   0.882
  597    HA3  GLY  77           HA3      GLY  77   3.632 -11.024   2.044
  598    H    ALA  78           H        ALA  78   1.172  -8.672   2.982
  599    HA   ALA  78           HA       ALA  78  -0.037 -10.685   4.744
  600    HB1  ALA  78           HB1      ALA  78  -0.538  -7.695   4.430
  601    HB2  ALA  78           HB2      ALA  78  -1.199  -8.737   5.715
  602    HB3  ALA  78           HB3      ALA  78   0.549  -8.473   5.611
  603    H    VAL  79           H        VAL  79  -0.524  -9.942   1.592
  604    HA   VAL  79           HA       VAL  79  -2.352  -9.765   0.183
  605    HB   VAL  79           HB       VAL  79  -1.709 -12.031   0.080
  606   HG11  VAL  79          HG11      VAL  79  -3.395 -12.555   2.556
  607   HG12  VAL  79          HG12      VAL  79  -2.585 -13.790   1.557
  608   HG13  VAL  79          HG13      VAL  79  -1.613 -12.599   2.435
  609   HG21  VAL  79          HG21      VAL  79  -3.622 -13.153  -0.611
  610   HG22  VAL  79          HG22      VAL  79  -4.687 -12.047   0.288
  611   HG23  VAL  79          HG23      VAL  79  -3.671 -11.439  -1.068
  612    H    LEU  80           H        LEU  80  -3.174  -7.874   1.475
  613    HA   LEU  80           HA       LEU  80  -5.575  -8.303   2.997
  614    HB2  LEU  80           HB2      LEU  80  -5.637  -6.026   3.265
  615    HB3  LEU  80           HB3      LEU  80  -3.914  -6.285   2.981
  616    HG   LEU  80           HG       LEU  80  -6.011  -5.195   1.053
  617   HD11  LEU  80          HD11      LEU  80  -5.158  -3.625   2.684
  618   HD12  LEU  80          HD12      LEU  80  -3.477  -4.015   2.213
  619   HD13  LEU  80          HD13      LEU  80  -4.569  -3.225   1.052
  620   HD21  LEU  80          HD21      LEU  80  -3.089  -5.883   0.508
  621   HD22  LEU  80          HD22      LEU  80  -4.509  -6.583  -0.310
  622   HD23  LEU  80          HD23      LEU  80  -4.118  -4.879  -0.550
  623    H    ASP  81           H        ASP  81  -5.046  -8.905  -0.215
  624    HA   ASP  81           HA       ASP  81  -7.810  -8.175  -0.965
  625    HB2  ASP  81           HB2      ASP  81  -6.991  -7.410  -3.156
  626    HB3  ASP  81           HB3      ASP  81  -6.462  -6.402  -1.807
  627    H    GLY  82           H        GLY  82  -4.865  -9.999  -1.965
  628    HA2  GLY  82           HA2      GLY  82  -5.425 -12.492  -1.793
  629    HA3  GLY  82           HA3      GLY  82  -6.623 -12.159  -3.075
  630    H    ARG  83           H        ARG  83  -3.562 -10.433  -3.051
  631    HA   ARG  83           HA       ARG  83  -2.398 -12.331  -5.035
  632    HB2  ARG  83           HB2      ARG  83  -1.627 -10.223  -6.262
  633    HB3  ARG  83           HB3      ARG  83  -3.356 -10.627  -6.410
  634    HG2  ARG  83           HG2      ARG  83  -4.045  -8.932  -4.991
  635    HG3  ARG  83           HG3      ARG  83  -2.473  -8.800  -4.176
  636    HD2  ARG  83           HD2      ARG  83  -2.908  -6.909  -5.718
  637    HD3  ARG  83           HD3      ARG  83  -1.468  -7.845  -6.144
  638    HE   ARG  83           HE       ARG  83  -4.110  -8.263  -7.501
  639   HH11  ARG  83          HH11      ARG  83  -0.611  -7.704  -7.729
  640   HH12  ARG  83          HH12      ARG  83  -0.570  -7.987  -9.451
  641   HH21  ARG  83          HH21      ARG  83  -4.011  -8.562  -9.757
  642   HH22  ARG  83          HH22      ARG  83  -2.480  -8.426 -10.589
  643    H    GLU  84           H        GLU  84  -1.971 -10.183  -2.351
  644    HA   GLU  84           HA       GLU  84  -0.469 -10.687  -0.694
  645    HB2  GLU  84           HB2      GLU  84   0.530 -12.508  -2.536
  646    HB3  GLU  84           HB3      GLU  84   1.907 -11.430  -2.212
  647    HG2  GLU  84           HG2      GLU  84   1.284 -11.747   0.289
  648    HG3  GLU  84           HG3      GLU  84   0.200 -13.023  -0.256
  649    H    LEU  85           H        LEU  85  -0.618  -8.585  -0.283
  650    HA   LEU  85           HA       LEU  85   0.415  -6.377  -1.526
  651    HB2  LEU  85           HB2      LEU  85  -1.034  -6.904   0.632
  652    HB3  LEU  85           HB3      LEU  85   0.486  -6.737   1.486
  653    HG   LEU  85           HG       LEU  85  -1.071  -4.779   1.444
  654   HD11  LEU  85          HD11      LEU  85   0.583  -3.096   1.287
  655   HD12  LEU  85          HD12      LEU  85   1.392  -4.560   1.912
  656   HD13  LEU  85          HD13      LEU  85   1.598  -4.064   0.209
  657   HD21  LEU  85          HD21      LEU  85  -1.229  -3.345  -0.489
  658   HD22  LEU  85          HD22      LEU  85  -0.113  -4.379  -1.409
  659   HD23  LEU  85          HD23      LEU  85  -1.728  -4.981  -0.975
  660    H    ARG  86           H        ARG  86   2.299  -5.002  -1.007
  661    HA   ARG  86           HA       ARG  86   4.724  -6.515  -0.125
  662    HB2  ARG  86           HB2      ARG  86   4.319  -4.861  -2.647
  663    HB3  ARG  86           HB3      ARG  86   5.912  -5.361  -2.042
  664    HG2  ARG  86           HG2      ARG  86   3.658  -7.239  -2.873
  665    HG3  ARG  86           HG3      ARG  86   5.086  -6.825  -3.844
  666    HD2  ARG  86           HD2      ARG  86   6.553  -7.714  -2.034
  667    HD3  ARG  86           HD3      ARG  86   5.124  -8.183  -1.105
  668    HE   ARG  86           HE       ARG  86   5.871  -9.331  -3.767
  669   HH11  ARG  86          HH11      ARG  86   4.287  -9.619  -0.615
  670   HH12  ARG  86          HH12      ARG  86   3.993 -11.340  -0.806
  671   HH21  ARG  86          HH21      ARG  86   5.391 -11.560  -3.988
  672   HH22  ARG  86          HH22      ARG  86   4.537 -12.400  -2.708
  673    H    VAL  87           H        VAL  87   6.138  -5.337   1.092
  674    HA   VAL  87           HA       VAL  87   5.829  -2.386   1.149
  675    HB   VAL  87           HB       VAL  87   5.971  -4.040   3.696
  676   HG11  VAL  87          HG11      VAL  87   5.356  -1.135   2.991
  677   HG12  VAL  87          HG12      VAL  87   5.160  -1.837   4.620
  678   HG13  VAL  87          HG13      VAL  87   6.765  -1.749   3.850
  679   HG21  VAL  87          HG21      VAL  87   3.862  -4.674   2.750
  680   HG22  VAL  87          HG22      VAL  87   3.546  -3.438   3.986
  681   HG23  VAL  87          HG23      VAL  87   3.501  -3.022   2.253
  682    H    GLN  88           H        GLN  88   7.641  -1.267   1.632
  683    HA   GLN  88           HA       GLN  88  10.115  -2.396   2.595
  684    HB2  GLN  88           HB2      GLN  88  11.303  -2.095   0.359
  685    HB3  GLN  88           HB3      GLN  88  10.249  -3.515   0.473
  686    HG2  GLN  88           HG2      GLN  88   8.451  -2.325  -0.712
  687    HG3  GLN  88           HG3      GLN  88   9.456  -0.875  -0.807
  688   HE21  GLN  88          HE22      GLN  88   8.339  -2.029  -3.075
  689   HE22  GLN  88          HE21      GLN  88   9.592  -2.764  -4.050
  690    H    MET  89           H        MET  89  11.590  -0.747   3.048
  691    HA   MET  89           HA       MET  89  10.772   1.893   3.307
  692    HB2  MET  89           HB2      MET  89  13.512   0.639   2.946
  693    HB3  MET  89           HB3      MET  89  13.295   2.365   3.326
  694    HG2  MET  89           HG2      MET  89  11.865   0.253   4.925
  695    HG3  MET  89           HG3      MET  89  13.559   0.603   5.271
  696    HE1  MET  89           HE1      MET  89  12.019   0.827   7.674
  697    HE2  MET  89           HE2      MET  89  11.019   2.263   8.009
  698    HE3  MET  89           HE3      MET  89  10.453   1.020   6.864
  699    H    ALA  90           H        ALA  90  10.686   3.678   2.022
  700    HA   ALA  90           HA       ALA  90  10.604   3.181  -0.828
  701    HB1  ALA  90           HB1      ALA  90   9.045   4.719   0.429
  702    HB2  ALA  90           HB2      ALA  90  10.417   5.833   0.637
  703    HB3  ALA  90           HB3      ALA  90   9.837   5.449  -0.998
  704    H    ARG  91           H        ARG  91  13.015   4.364   1.346
  705    HA   ARG  91           HA       ARG  91  15.277   4.534   0.931
  706    HB2  ARG  91           HB2      ARG  91  14.842   3.506  -1.365
  707    HB3  ARG  91           HB3      ARG  91  14.666   5.170  -1.978
  708    HG2  ARG  91           HG2      ARG  91  16.977   5.668  -1.167
  709    HG3  ARG  91           HG3      ARG  91  17.150   3.940  -0.747
  710    HD2  ARG  91           HD2      ARG  91  16.542   3.353  -3.096
  711    HD3  ARG  91           HD3      ARG  91  16.364   5.073  -3.468
  712    HE   ARG  91           HE       ARG  91  18.984   4.616  -2.413
  713   HH11  ARG  91          HH11      ARG  91  17.044   3.980  -5.295
  714   HH12  ARG  91          HH12      ARG  91  18.437   3.937  -6.362
  715   HH21  ARG  91          HH21      ARG  91  20.771   4.568  -3.837
  716   HH22  ARG  91          HH22      ARG  91  20.530   4.267  -5.541
  717    H    TYR  92           H        TYR  92  12.874   6.795  -0.084
  718    HA   TYR  92           HA       TYR  92  14.662   9.020  -0.521
  719    HB2  TYR  92           HB2      TYR  92  11.651   8.905  -0.134
  720    HB3  TYR  92           HB3      TYR  92  12.553  10.327  -0.665
  721    HD1  TYR  92           HD1      TYR  92  11.429   6.944  -1.599
  722    HD2  TYR  92           HD2      TYR  92  13.484  10.487  -2.895
  723    HE1  TYR  92           HE1      TYR  92  11.330   6.134  -3.944
  724    HE2  TYR  92           HE2      TYR  92  13.374   9.699  -5.249
  725    HH   TYR  92           HH       TYR  92  11.842   6.579  -6.140
  726    H    GLY  93           H        GLY  93  13.971   7.533   2.361
  727    HA2  GLY  93           HA2      GLY  93  13.509   9.904   3.994
  728    HA3  GLY  93           HA3      GLY  93  13.860   8.252   4.554
  729    H    ARG  94           H        ARG  94  16.248   8.415   2.555
  730    HA   ARG  94           HA       ARG  94  18.484   8.696   2.652
  731    HB2  ARG  94           HB2      ARG  94  17.706  11.312   4.015
  732    HB3  ARG  94           HB3      ARG  94  19.297  10.964   3.364
  733    HG2  ARG  94           HG2      ARG  94  16.696  11.082   1.773
  734    HG3  ARG  94           HG3      ARG  94  17.970  12.313   1.792
  735    HD2  ARG  94           HD2      ARG  94  18.301   9.455   0.794
  736    HD3  ARG  94           HD3      ARG  94  18.115  10.896  -0.218
  737    HE   ARG  94           HE       ARG  94  20.276  11.503   1.381
  738   HH11  ARG  94          HH11      ARG  94  19.479   8.866  -0.831
  739   HH12  ARG  94          HH12      ARG  94  21.149   8.552  -1.245
  740   HH21  ARG  94          HH21      ARG  94  22.437  11.073   0.827
  741   HH22  ARG  94          HH22      ARG  94  22.814   9.808  -0.321
  742    HA   PRO  95           HA       PRO  95  20.123   7.383   6.543
  743    HB2  PRO  95           HB2      PRO  95  22.765   8.076   6.354
  744    HB3  PRO  95           HB3      PRO  95  22.032   6.772   5.366
  745    HG2  PRO  95           HG2      PRO  95  22.505   9.658   4.581
  746    HG3  PRO  95           HG3      PRO  95  22.945   8.173   3.668
  747    HD2  PRO  95           HD2      PRO  95  20.679   9.577   3.139
  748    HD3  PRO  95           HD3      PRO  95  20.686   7.785   3.069
  749    HA   PRO  96           HA       PRO  96  20.197  10.640   9.541
  750    HB2  PRO  96           HB2      PRO  96  22.911   9.652  10.398
  751    HB3  PRO  96           HB3      PRO  96  21.477  10.037  11.410
  752    HG2  PRO  96           HG2      PRO  96  22.083   7.468  10.833
  753    HG3  PRO  96           HG3      PRO  96  20.376   8.036  10.723
  754    HD2  PRO  96           HD2      PRO  96  22.371   7.643   8.487
  755    HD3  PRO  96           HD3      PRO  96  20.645   7.176   8.549
  756    H    ASP  97           H        ASP  97  22.757  10.447   7.215
  757    HA   ASP  97           HA       ASP  97  24.304  11.891   6.424
  758    HB2  ASP  97           HB2      ASP  97  22.118  12.883   5.753
  759    HB3  ASP  97           HB3      ASP  97  22.207  13.956   7.158
  760    H    SER  98           H        SER  98  24.566  11.267   9.288
  761    HA   SER  98           HA       SER  98  26.422  13.424  10.025
  762    HB2  SER  98           HB2      SER  98  24.165  14.066  10.955
  763    HB3  SER  98           HB3      SER  98  24.165  12.549  11.877
  764    HG   SER  98           HG       SER  98  24.975  14.313  13.088
  765    H    HIS  99           H        HIS  99  27.310  12.649  12.405
  766    HA   HIS  99           HA       HIS  99  28.666  10.194  11.887
  767    HB2  HIS  99           HB2      HIS  99  29.614  10.496  14.109
  768    HB3  HIS  99           HB3      HIS  99  29.616  12.016  13.211
  769    HD2  HIS  99           HD2      HIS  99  27.905  10.276  16.208
  770    HE1  HIS  99           HE1      HIS  99  26.881  14.395  16.434
  771    HE2  HIS  99           HE2      HIS  99  26.759  12.150  17.626
  772    H    HIS 100           H        HIS 100  25.479  10.658  12.955
  773    HA   HIS 100           HA       HIS 100  25.274   8.402  14.756
  774    HB2  HIS 100           HB2      HIS 100  23.173   9.866  13.111
  775    HB3  HIS 100           HB3      HIS 100  22.846   8.732  14.426
  776    HD2  HIS 100           HD2      HIS 100  23.616   9.541  16.965
  777    HE1  HIS 100           HE1      HIS 100  23.769  13.682  16.017
  778    HE2  HIS 100           HE2      HIS 100  23.744  11.978  17.910
  779    H    SER 101           H        SER 101  25.665   8.644  11.345
  780    HA   SER 101           HA       SER 101  24.088   6.448  10.455
  781    HB2  SER 101           HB2      SER 101  26.681   7.617   9.373
  782    HB3  SER 101           HB3      SER 101  25.647   6.471   8.506
  783    HG   SER 101           HG       SER 101  25.213   8.691   7.995
  Start of MODEL   15
    1    H    MET   1           H1       MET   1   9.471 -25.744   5.089
    2    HA   MET   1           HA       MET   1  10.014 -24.688   7.162
    3    HB2  MET   1           HB2      MET   1  11.667 -27.201   7.605
    4    HB3  MET   1           HB3      MET   1  11.741 -25.735   8.594
    5    HG2  MET   1           HG2      MET   1   9.305 -27.512   8.192
    6    HG3  MET   1           HG3      MET   1  10.318 -27.444   9.633
    7    HE1  MET   1           HE1      MET   1   8.153 -27.171  11.094
    8    HE2  MET   1           HE2      MET   1   6.917 -25.921  10.826
    9    HE3  MET   1           HE3      MET   1   7.139 -27.220   9.633
   10    H    SER   2           H        SER   2  11.231 -23.037   6.529
   11    HA   SER   2           HA       SER   2  13.888 -23.494   5.321
   12    HB2  SER   2           HB2      SER   2  11.694 -21.882   3.948
   13    HB3  SER   2           HB3      SER   2  13.373 -22.030   3.408
   14    HG   SER   2           HG       SER   2  12.998 -24.276   3.155
   15    H    TYR   3           H        TYR   3  14.805 -21.196   4.741
   16    HA   TYR   3           HA       TYR   3  13.843 -19.049   6.495
   17    HB2  TYR   3           HB2      TYR   3  15.898 -18.802   7.673
   18    HB3  TYR   3           HB3      TYR   3  15.388 -20.483   7.874
   19    HD1  TYR   3           HD2      TYR   3  16.543 -22.273   6.434
   20    HD2  TYR   3           HD1      TYR   3  17.983 -18.229   6.757
   21    HE1  TYR   3           HE2      TYR   3  18.761 -22.991   5.584
   22    HE2  TYR   3           HE1      TYR   3  20.195 -18.942   5.919
   23    HH   TYR   3           HH       TYR   3  21.475 -20.684   5.168
   24    H    GLY   4           H        GLY   4  15.579 -17.162   6.201
   25    HA2  GLY   4           HA2      GLY   4  16.777 -17.092   3.506
   26    HA3  GLY   4           HA3      GLY   4  15.432 -15.977   3.796
   27    H    ARG   5           H        ARG   5  17.597 -14.673   3.179
   28    HA   ARG   5           HA       ARG   5  19.605 -14.260   5.124
   29    HB2  ARG   5           HB2      ARG   5  18.496 -12.395   2.998
   30    HB3  ARG   5           HB3      ARG   5  19.996 -12.121   3.909
   31    HG2  ARG   5           HG2      ARG   5  20.875 -14.311   3.072
   32    HG3  ARG   5           HG3      ARG   5  19.411 -14.488   2.075
   33    HD2  ARG   5           HD2      ARG   5  19.938 -12.361   0.927
   34    HD3  ARG   5           HD3      ARG   5  21.394 -12.186   1.917
   35    HE   ARG   5           HE       ARG   5  20.974 -14.021  -0.345
   36   HH11  ARG   5          HH11      ARG   5  23.017 -13.184   2.428
   37   HH12  ARG   5          HH12      ARG   5  24.402 -14.050   1.806
   38   HH21  ARG   5          HH21      ARG   5  22.799 -15.125  -1.120
   39   HH22  ARG   5          HH22      ARG   5  24.283 -15.134  -0.196
   40    HA   PRO   6           HA       PRO   6  17.577 -11.875   8.221
   41    HB2  PRO   6           HB2      PRO   6  19.675 -10.507   9.325
   42    HB3  PRO   6           HB3      PRO   6  19.512 -12.290   9.463
   43    HG2  PRO   6           HG2      PRO   6  21.164 -10.732   7.458
   44    HG3  PRO   6           HG3      PRO   6  21.677 -12.112   8.484
   45    HD2  PRO   6           HD2      PRO   6  20.887 -12.448   5.902
   46    HD3  PRO   6           HD3      PRO   6  20.488 -13.660   7.161
   47    HA   PRO   7           HA       PRO   7  16.777  -7.813   6.602
   48    HB2  PRO   7           HB2      PRO   7  16.064  -6.386   8.816
   49    HB3  PRO   7           HB3      PRO   7  15.068  -7.735   8.174
   50    HG2  PRO   7           HG2      PRO   7  17.105  -7.842  10.417
   51    HG3  PRO   7           HG3      PRO   7  15.411  -8.451  10.424
   52    HD2  PRO   7           HD2      PRO   7  17.520 -10.096   9.908
   53    HD3  PRO   7           HD3      PRO   7  15.969 -10.273   9.035
   54    HA   PRO   8           HA       PRO   8  20.418  -5.299   7.300
   55    HB2  PRO   8           HB2      PRO   8  19.748  -2.979   6.117
   56    HB3  PRO   8           HB3      PRO   8  19.656  -4.505   5.196
   57    HG2  PRO   8           HG2      PRO   8  17.389  -3.096   6.631
   58    HG3  PRO   8           HG3      PRO   8  17.435  -3.664   4.926
   59    HD2  PRO   8           HD2      PRO   8  16.405  -5.093   7.055
   60    HD3  PRO   8           HD3      PRO   8  17.092  -5.873   5.570
   61    H    ASP   9           H        ASP   9  19.977  -2.386   7.709
   62    HA   ASP   9           HA       ASP   9  19.025  -2.350  10.538
   63    HB2  ASP   9           HB2      ASP   9  21.653  -1.225   9.498
   64    HB3  ASP   9           HB3      ASP   9  21.009  -0.998  11.133
   65    H    VAL  10           H        VAL  10  18.856  -1.070   7.471
   66    HA   VAL  10           HA       VAL  10  18.105   0.811   6.525
   67    HB   VAL  10           HB       VAL  10  15.892   1.458   7.254
   68   HG11  VAL  10          HG11      VAL  10  14.871  -0.766   7.169
   69   HG12  VAL  10          HG12      VAL  10  16.286  -0.729   6.096
   70   HG13  VAL  10          HG13      VAL  10  16.400  -1.525   7.673
   71   HG21  VAL  10          HG21      VAL  10  16.346   1.551   9.718
   72   HG22  VAL  10          HG22      VAL  10  14.881   0.644   9.291
   73   HG23  VAL  10          HG23      VAL  10  16.358  -0.230   9.745
   74    H    GLU  11           H        GLU  11  20.279   1.386   8.429
   75    HA   GLU  11           HA       GLU  11  19.710   3.800   9.839
   76    HB2  GLU  11           HB2      GLU  11  22.289   2.593   8.769
   77    HB3  GLU  11           HB3      GLU  11  22.224   4.004   9.851
   78    HG2  GLU  11           HG2      GLU  11  20.986   2.612  11.520
   79    HG3  GLU  11           HG3      GLU  11  21.194   1.208  10.458
   80    H    GLY  12           H        GLY  12  19.612   3.351   6.542
   81    HA2  GLY  12           HA2      GLY  12  20.549   6.132   5.982
   82    HA3  GLY  12           HA3      GLY  12  20.788   4.768   4.870
   83    H    MET  13           H        MET  13  17.766   4.516   6.458
   84    HA   MET  13           HA       MET  13  16.333   6.159   4.463
   85    HB2  MET  13           HB2      MET  13  15.741   3.195   4.935
   86    HB3  MET  13           HB3      MET  13  14.856   4.303   3.884
   87    HG2  MET  13           HG2      MET  13  16.156   3.152   2.374
   88    HG3  MET  13           HG3      MET  13  17.072   4.628   2.615
   89    HE1  MET  13           HE1      MET  13  18.115   0.372   4.104
   90    HE2  MET  13           HE2      MET  13  16.684   1.258   4.693
   91    HE3  MET  13           HE3      MET  13  16.814   0.809   2.977
   92    H    THR  14           H        THR  14  14.019   6.386   5.044
   93    HA   THR  14           HA       THR  14  13.217   5.448   7.706
   94    HB   THR  14           HB       THR  14  13.493   8.391   6.968
   95   HG21  THR  14          HG21      THR  14  11.294   8.003   8.117
   96   HG22  THR  14          HG22      THR  14  12.167   7.233   9.462
   97   HG23  THR  14          HG23      THR  14  12.435   8.946   9.096
   98    H    SER  15           H        SER  15  12.482   7.157   4.661
   99    HA   SER  15           HA       SER  15   9.609   7.117   4.887
  100    HB2  SER  15           HB2      SER  15   9.803   7.331   2.371
  101    HB3  SER  15           HB3      SER  15  10.747   8.544   3.279
  102    HG   SER  15           HG       SER  15  11.820   6.085   2.380
  103    H    LEU  16           H        LEU  16   8.144   5.690   4.415
  104    HA   LEU  16           HA       LEU  16   9.019   2.902   3.791
  105    HB2  LEU  16           HB2      LEU  16   7.744   3.589   5.858
  106    HB3  LEU  16           HB3      LEU  16   6.363   3.994   4.843
  107    HG   LEU  16           HG       LEU  16   6.437   1.804   6.192
  108   HD11  LEU  16          HD11      LEU  16   5.017   0.655   4.738
  109   HD12  LEU  16          HD12      LEU  16   4.700   2.378   4.551
  110   HD13  LEU  16          HD13      LEU  16   5.645   1.523   3.300
  111   HD21  LEU  16          HD21      LEU  16   8.690   1.086   5.394
  112   HD22  LEU  16          HD22      LEU  16   7.411  -0.121   5.155
  113   HD23  LEU  16          HD23      LEU  16   7.994   0.829   3.771
  114    H    LYS  17           H        LYS  17   7.761   1.751   2.176
  115    HA   LYS  17           HA       LYS  17   6.113   3.320   0.279
  116    HB2  LYS  17           HB2      LYS  17   8.067   3.576  -0.873
  117    HB3  LYS  17           HB3      LYS  17   8.748   2.043  -0.289
  118    HG2  LYS  17           HG2      LYS  17   8.349   1.814  -2.603
  119    HG3  LYS  17           HG3      LYS  17   7.131   0.830  -1.775
  120    HD2  LYS  17           HD2      LYS  17   5.518   2.747  -2.058
  121    HD3  LYS  17           HD3      LYS  17   6.773   3.612  -2.987
  122    HE2  LYS  17           HE2      LYS  17   5.491   0.969  -3.705
  123    HE3  LYS  17           HE3      LYS  17   5.221   2.529  -4.501
  124    HZ1  LYS  17           HZ1      LYS  17   7.490   2.537  -5.197
  125    HZ2  LYS  17           HZ2      LYS  17   7.802   1.134  -4.388
  126    HZ3  LYS  17           HZ3      LYS  17   6.782   1.118  -5.669
  127    H    VAL  18           H        VAL  18   4.476   2.118  -0.520
  128    HA   VAL  18           HA       VAL  18   4.494  -0.852  -0.055
  129    HB   VAL  18           HB       VAL  18   2.421   1.256   0.466
  130   HG11  VAL  18          HG11      VAL  18   0.745  -0.587   0.779
  131   HG12  VAL  18          HG12      VAL  18   1.242  -0.424  -0.908
  132   HG13  VAL  18          HG13      VAL  18   1.923  -1.732   0.076
  133   HG21  VAL  18          HG21      VAL  18   3.982   0.481   2.273
  134   HG22  VAL  18          HG22      VAL  18   2.270   0.185   2.638
  135   HG23  VAL  18          HG23      VAL  18   3.324  -1.152   2.083
  136    H    ASP  19           H        ASP  19   3.659  -2.066  -1.579
  137    HA   ASP  19           HA       ASP  19   2.982  -0.948  -4.265
  138    HB2  ASP  19           HB2      ASP  19   5.005  -3.091  -3.496
  139    HB3  ASP  19           HB3      ASP  19   4.486  -2.742  -5.157
  140    H    ASN  20           H        ASN  20   2.555  -2.926  -5.719
  141    HA   ASN  20           HA       ASN  20   1.304  -4.617  -6.419
  142    HB2  ASN  20           HB2      ASN  20   2.704  -5.808  -4.624
  143    HB3  ASN  20           HB3      ASN  20   1.200  -5.849  -3.698
  144   HD21  ASN  20          HD22      ASN  20   1.000  -8.141  -3.884
  145   HD22  ASN  20          HD21      ASN  20   0.580  -8.914  -5.400
  146    H    LEU  21           H        LEU  21  -0.631  -4.148  -7.108
  147    HA   LEU  21           HA       LEU  21  -2.857  -3.787  -5.158
  148    HB2  LEU  21           HB2      LEU  21  -2.431  -2.228  -7.722
  149    HB3  LEU  21           HB3      LEU  21  -3.750  -2.016  -6.554
  150    HG   LEU  21           HG       LEU  21  -0.808  -1.447  -6.100
  151   HD11  LEU  21          HD11      LEU  21  -3.259   0.356  -6.252
  152   HD12  LEU  21          HD12      LEU  21  -1.577   0.889  -6.035
  153   HD13  LEU  21          HD13      LEU  21  -2.080   0.126  -7.559
  154   HD21  LEU  21          HD21      LEU  21  -2.187  -2.265  -4.037
  155   HD22  LEU  21          HD22      LEU  21  -1.271  -0.767  -3.916
  156   HD23  LEU  21          HD23      LEU  21  -3.041  -0.714  -4.195
  157    H    THR  22           H        THR  22  -4.996  -3.801  -6.350
  158    HA   THR  22           HA       THR  22  -5.027  -5.741  -8.602
  159    HB   THR  22           HB       THR  22  -5.711  -6.833  -6.488
  160   HG21  THR  22          HG21      THR  22  -6.711  -4.813  -5.376
  161   HG22  THR  22          HG22      THR  22  -8.090  -4.937  -6.500
  162   HG23  THR  22          HG23      THR  22  -7.750  -6.255  -5.353
  163    H    TYR  23           H        TYR  23  -5.150  -2.702  -8.395
  164    HA   TYR  23           HA       TYR  23  -6.102  -1.090  -9.651
  165    HB2  TYR  23           HB2      TYR  23  -6.616  -1.939 -11.610
  166    HB3  TYR  23           HB3      TYR  23  -6.965  -3.509 -10.913
  167    HD1  TYR  23           HD1      TYR  23  -9.366  -3.798  -9.804
  168    HD2  TYR  23           HD2      TYR  23  -8.316  -0.750 -12.654
  169    HE1  TYR  23           HE1      TYR  23 -11.751  -3.545 -10.400
  170    HE2  TYR  23           HE2      TYR  23 -10.713  -0.472 -13.246
  171    HH   TYR  23           HH       TYR  23 -13.289  -2.418 -11.687
  172    H    ARG  24           H        ARG  24  -7.688  -2.699  -7.243
  173    HA   ARG  24           HA       ARG  24  -9.761  -0.553  -7.066
  174    HB2  ARG  24           HB2      ARG  24 -10.719  -2.583  -8.041
  175    HB3  ARG  24           HB3      ARG  24 -10.137  -3.541  -6.675
  176    HG2  ARG  24           HG2      ARG  24 -11.671  -2.377  -5.162
  177    HG3  ARG  24           HG3      ARG  24 -12.110  -1.220  -6.443
  178    HD2  ARG  24           HD2      ARG  24 -13.051  -3.079  -7.776
  179    HD3  ARG  24           HD3      ARG  24 -12.575  -4.230  -6.514
  180    HE   ARG  24           HE       ARG  24 -14.181  -2.211  -5.320
  181   HH11  ARG  24          HH11      ARG  24 -14.488  -4.901  -7.603
  182   HH12  ARG  24          HH12      ARG  24 -16.173  -5.173  -7.232
  183   HH21  ARG  24          HH21      ARG  24 -16.373  -2.596  -4.858
  184   HH22  ARG  24          HH22      ARG  24 -17.236  -3.882  -5.667
  185    H    THR  25           H        THR  25  -7.165  -2.085  -5.503
  186    HA   THR  25           HA       THR  25  -8.056  -2.081  -2.804
  187    HB   THR  25           HB       THR  25  -5.319  -1.596  -4.037
  188   HG21  THR  25          HG21      THR  25  -6.112  -2.135  -1.141
  189   HG22  THR  25          HG22      THR  25  -4.454  -2.186  -1.791
  190   HG23  THR  25          HG23      THR  25  -5.356  -0.654  -1.774
  191    H    SER  26           H        SER  26  -6.727   0.561  -4.828
  192    HA   SER  26           HA       SER  26  -6.708   2.789  -4.619
  193    HB2  SER  26           HB2      SER  26  -9.130   2.159  -2.889
  194    HB3  SER  26           HB3      SER  26  -8.706   3.798  -3.420
  195    HG   SER  26           HG       SER  26 -10.159   2.746  -4.848
  196    HA   PRO  27           HA       PRO  27  -4.293   4.269  -1.248
  197    HB2  PRO  27           HB2      PRO  27  -5.018   6.928  -1.187
  198    HB3  PRO  27           HB3      PRO  27  -3.900   6.194  -2.378
  199    HG2  PRO  27           HG2      PRO  27  -6.812   6.902  -2.662
  200    HG3  PRO  27           HG3      PRO  27  -5.502   7.068  -3.872
  201    HD2  PRO  27           HD2      PRO  27  -7.328   5.030  -3.893
  202    HD3  PRO  27           HD3      PRO  27  -5.662   4.812  -4.473
  203    H    ASP  28           H        ASP  28  -7.789   4.714  -1.171
  204    HA   ASP  28           HA       ASP  28  -8.026   5.789   1.475
  205    HB2  ASP  28           HB2      ASP  28  -9.830   4.155  -0.326
  206    HB3  ASP  28           HB3      ASP  28 -10.370   4.877   1.209
  207    H    THR  29           H        THR  29  -8.269   2.400   0.213
  208    HA   THR  29           HA       THR  29  -8.816   1.277   2.807
  209    HB   THR  29           HB       THR  29  -7.536  -0.064   0.404
  210   HG21  THR  29          HG21      THR  29  -8.715  -2.079   1.289
  211   HG22  THR  29          HG22      THR  29  -7.528  -1.428   2.437
  212   HG23  THR  29          HG23      THR  29  -9.261  -1.110   2.683
  213    H    LEU  30           H        LEU  30  -5.880   1.774   0.806
  214    HA   LEU  30           HA       LEU  30  -4.077   0.423   2.541
  215    HB2  LEU  30           HB2      LEU  30  -3.661   2.798   0.679
  216    HB3  LEU  30           HB3      LEU  30  -2.362   1.824   1.392
  217    HG   LEU  30           HG       LEU  30  -4.528   0.592  -0.330
  218   HD11  LEU  30          HD11      LEU  30  -1.798   1.700  -1.136
  219   HD12  LEU  30          HD12      LEU  30  -2.888   0.756  -2.186
  220   HD13  LEU  30          HD13      LEU  30  -3.386   2.359  -1.597
  221   HD21  LEU  30          HD21      LEU  30  -1.712  -0.269   0.457
  222   HD22  LEU  30          HD22      LEU  30  -3.233  -0.957   1.079
  223   HD23  LEU  30          HD23      LEU  30  -2.791  -1.157  -0.637
  224    H    ARG  31           H        ARG  31  -5.551   3.671   2.675
  225    HA   ARG  31           HA       ARG  31  -3.639   4.831   4.394
  226    HB2  ARG  31           HB2      ARG  31  -5.802   5.793   3.127
  227    HB3  ARG  31           HB3      ARG  31  -6.596   5.455   4.663
  228    HG2  ARG  31           HG2      ARG  31  -4.296   7.354   4.101
  229    HG3  ARG  31           HG3      ARG  31  -5.913   7.738   4.720
  230    HD2  ARG  31           HD2      ARG  31  -5.327   6.443   6.808
  231    HD3  ARG  31           HD3      ARG  31  -3.690   6.252   6.163
  232    HE   ARG  31           HE       ARG  31  -3.251   8.528   6.483
  233   HH11  ARG  31          HH11      ARG  31  -6.604   7.779   7.329
  234   HH12  ARG  31          HH12      ARG  31  -6.834   9.284   8.194
  235   HH21  ARG  31          HH21      ARG  31  -3.589  10.472   7.610
  236   HH22  ARG  31          HH22      ARG  31  -5.144  10.808   8.336
  237    H    ARG  32           H        ARG  32  -6.772   3.268   5.183
  238    HA   ARG  32           HA       ARG  32  -6.102   3.316   8.038
  239    HB2  ARG  32           HB2      ARG  32  -8.357   2.354   8.314
  240    HB3  ARG  32           HB3      ARG  32  -8.382   3.740   7.208
  241    HG2  ARG  32           HG2      ARG  32  -7.968   1.738   5.406
  242    HG3  ARG  32           HG3      ARG  32  -8.886   0.847   6.644
  243    HD2  ARG  32           HD2      ARG  32  -9.666   3.472   5.317
  244    HD3  ARG  32           HD3      ARG  32 -10.328   1.875   4.900
  245    HE   ARG  32           HE       ARG  32 -10.753   2.237   7.662
  246   HH11  ARG  32          HH11      ARG  32 -11.788   3.745   4.633
  247   HH12  ARG  32          HH12      ARG  32 -13.307   4.300   5.295
  248   HH21  ARG  32          HH21      ARG  32 -12.753   2.949   8.486
  249   HH22  ARG  32          HH22      ARG  32 -13.853   3.849   7.468
  250    H    VAL  33           H        VAL  33  -5.295   1.225   5.524
  251    HA   VAL  33           HA       VAL  33  -5.115  -1.178   7.242
  252    HB   VAL  33           HB       VAL  33  -4.560  -0.469   4.359
  253   HG11  VAL  33          HG11      VAL  33  -3.714  -3.056   5.736
  254   HG12  VAL  33          HG12      VAL  33  -3.797  -2.814   3.977
  255   HG13  VAL  33          HG13      VAL  33  -2.651  -1.868   4.942
  256   HG21  VAL  33          HG21      VAL  33  -6.173  -2.323   4.009
  257   HG22  VAL  33          HG22      VAL  33  -6.183  -2.654   5.761
  258   HG23  VAL  33          HG23      VAL  33  -6.851  -1.136   5.153
  259    H    PHE  34           H        PHE  34  -3.239   1.622   6.549
  260    HA   PHE  34           HA       PHE  34  -0.787   0.209   7.535
  261    HB2  PHE  34           HB2      PHE  34  -1.237   2.214   5.312
  262    HB3  PHE  34           HB3      PHE  34   0.290   2.209   6.158
  263    HD1  PHE  34           HD1      PHE  34   1.669   0.193   6.294
  264    HD2  PHE  34           HD2      PHE  34  -1.696   0.500   3.668
  265    HE1  PHE  34           HE1      PHE  34   2.550  -1.735   4.957
  266    HE2  PHE  34           HE2      PHE  34  -0.830  -1.368   2.308
  267    HZ   PHE  34           HZ       PHE  34   1.297  -2.529   2.989
  268    H    GLU  35           H        GLU  35  -2.658   3.292   7.563
  269    HA   GLU  35           HA       GLU  35  -0.806   4.469   9.333
  270    HB2  GLU  35           HB2      GLU  35  -2.302   6.295   9.496
  271    HB3  GLU  35           HB3      GLU  35  -2.680   5.569   7.934
  272    HG2  GLU  35           HG2      GLU  35  -4.785   5.954   8.815
  273    HG3  GLU  35           HG3      GLU  35  -4.506   4.251   9.215
  274    H    LYS  36           H        LYS  36  -3.119   2.004   9.747
  275    HA   LYS  36           HA       LYS  36  -4.070   2.442  12.352
  276    HB2  LYS  36           HB2      LYS  36  -4.625   0.067  12.310
  277    HB3  LYS  36           HB3      LYS  36  -4.971   0.795  10.727
  278    HG2  LYS  36           HG2      LYS  36  -2.648  -0.038   9.999
  279    HG3  LYS  36           HG3      LYS  36  -2.617  -0.966  11.508
  280    HD2  LYS  36           HD2      LYS  36  -4.545  -1.246   9.186
  281    HD3  LYS  36           HD3      LYS  36  -3.365  -2.434   9.760
  282    HE2  LYS  36           HE2      LYS  36  -4.665  -2.462  11.959
  283    HE3  LYS  36           HE3      LYS  36  -5.895  -1.474  11.130
  284    HZ1  LYS  36           HZ1      LYS  36  -6.153  -3.220   9.526
  285    HZ2  LYS  36           HZ2      LYS  36  -5.017  -4.147  10.272
  286    HZ3  LYS  36           HZ3      LYS  36  -6.431  -3.810  11.034
  287    H    TYR  37           H        TYR  37  -1.016   1.075  11.168
  288    HA   TYR  37           HA       TYR  37  -0.288   0.030  13.732
  289    HB2  TYR  37           HB2      TYR  37   1.358   0.690  11.252
  290    HB3  TYR  37           HB3      TYR  37   1.979  -0.193  12.654
  291    HD1  TYR  37           HD2      TYR  37   1.146  -2.420  13.231
  292    HD2  TYR  37           HD1      TYR  37  -0.156  -0.386   9.669
  293    HE1  TYR  37           HE2      TYR  37   0.232  -4.554  12.350
  294    HE2  TYR  37           HE1      TYR  37  -1.039  -2.503   8.773
  295    HH   TYR  37           HH       TYR  37  -1.378  -4.742   9.149
  296    H    GLY  38           H        GLY  38  -0.097   3.169  12.208
  297    HA2  GLY  38           HA2      GLY  38   0.501   4.421  14.717
  298    HA3  GLY  38           HA3      GLY  38   1.954   4.402  13.699
  299    H    ARG  39           H        ARG  39   1.408   5.107  11.279
  300    HA   ARG  39           HA       ARG  39  -0.837   6.833  10.845
  301    HB2  ARG  39           HB2      ARG  39   0.951   8.130  12.415
  302    HB3  ARG  39           HB3      ARG  39   1.776   8.357  10.862
  303    HG2  ARG  39           HG2      ARG  39   0.374  10.269  11.403
  304    HG3  ARG  39           HG3      ARG  39  -0.252   9.457   9.954
  305    HD2  ARG  39           HD2      ARG  39  -1.993   8.370  11.253
  306    HD3  ARG  39           HD3      ARG  39  -1.256   8.937  12.767
  307    HE   ARG  39           HE       ARG  39  -1.736  11.291  11.570
  308   HH11  ARG  39          HH11      ARG  39  -3.874   8.445  11.788
  309   HH12  ARG  39          HH12      ARG  39  -5.317   9.416  11.832
  310   HH21  ARG  39          HH21      ARG  39  -3.654  12.495  11.602
  311   HH22  ARG  39          HH22      ARG  39  -5.203  11.684  11.696
  312    H    VAL  40           H        VAL  40  -0.614   8.036   8.778
  313    HA   VAL  40           HA       VAL  40   1.414   6.860   6.942
  314    HB   VAL  40           HB       VAL  40  -1.590   7.112   6.551
  315   HG11  VAL  40          HG11      VAL  40  -0.567   7.989   4.502
  316   HG12  VAL  40          HG12      VAL  40   0.586   6.624   4.482
  317   HG13  VAL  40          HG13      VAL  40  -1.151   6.329   4.228
  318   HG21  VAL  40          HG21      VAL  40  -0.365   4.973   7.480
  319   HG22  VAL  40          HG22      VAL  40  -1.531   4.778   6.131
  320   HG23  VAL  40          HG23      VAL  40   0.212   4.789   5.814
  321    H    GLY  41           H        GLY  41   2.684   8.595   6.859
  322    HA2  GLY  41           HA2      GLY  41   1.925  11.323   6.792
  323    HA3  GLY  41           HA3      GLY  41   3.446  10.636   6.192
  324    H    ASP  42           H        ASP  42   2.016   8.865   4.223
  325    HA   ASP  42           HA       ASP  42   0.762  10.716   2.310
  326    HB2  ASP  42           HB2      ASP  42   3.513   9.471   2.011
  327    HB3  ASP  42           HB3      ASP  42   2.554   9.902   0.602
  328    H    VAL  43           H        VAL  43  -0.521   9.579   0.847
  329    HA   VAL  43           HA       VAL  43  -0.030   6.725   0.445
  330    HB   VAL  43           HB       VAL  43  -1.603   7.296   2.547
  331   HG11  VAL  43          HG11      VAL  43  -3.601   6.931   0.293
  332   HG12  VAL  43          HG12      VAL  43  -3.946   6.928   2.028
  333   HG13  VAL  43          HG13      VAL  43  -3.386   8.420   1.253
  334   HG21  VAL  43          HG21      VAL  43  -0.848   5.134   2.149
  335   HG22  VAL  43          HG22      VAL  43  -2.596   5.040   2.274
  336   HG23  VAL  43          HG23      VAL  43  -1.845   4.972   0.657
  337    H    TYR  44           H        TYR  44   0.020   6.639  -1.711
  338    HA   TYR  44           HA       TYR  44  -2.328   7.586  -3.182
  339    HB2  TYR  44           HB2      TYR  44  -1.361   9.192  -4.493
  340    HB3  TYR  44           HB3      TYR  44  -0.632   9.545  -2.936
  341    HD1  TYR  44           HD2      TYR  44   1.787   8.958  -2.534
  342    HD2  TYR  44           HD1      TYR  44  -0.108   8.368  -6.344
  343    HE1  TYR  44           HE2      TYR  44   4.019   8.844  -3.624
  344    HE2  TYR  44           HE1      TYR  44   2.098   8.202  -7.440
  345    HH   TYR  44           HH       TYR  44   4.390   8.337  -7.156
  346    H    ILE  45           H        ILE  45  -2.091   7.096  -5.571
  347    HA   ILE  45           HA       ILE  45  -0.490   4.604  -5.934
  348    HB   ILE  45           HB       ILE  45  -3.372   5.193  -6.667
  349   HG12  ILE  45          HG12      ILE  45  -3.790   2.981  -5.722
  350   HG13  ILE  45          HG13      ILE  45  -2.071   2.772  -5.353
  351   HG21  ILE  45          HG21      ILE  45  -1.553   2.979  -7.714
  352   HG22  ILE  45          HG22      ILE  45  -3.304   3.104  -8.000
  353   HG23  ILE  45          HG23      ILE  45  -2.206   4.322  -8.678
  354   HD11  ILE  45          HD11      ILE  45  -3.642   5.074  -4.192
  355   HD12  ILE  45          HD12      ILE  45  -3.682   3.449  -3.461
  356   HD13  ILE  45          HD13      ILE  45  -2.144   4.305  -3.576
  357    HA   PRO  46           HA       PRO  46   0.964   7.226  -9.357
  358    HB2  PRO  46           HB2      PRO  46   3.132   5.701 -10.008
  359    HB3  PRO  46           HB3      PRO  46   3.087   6.757  -8.567
  360    HG2  PRO  46           HG2      PRO  46   2.509   3.788  -8.708
  361    HG3  PRO  46           HG3      PRO  46   3.591   4.674  -7.561
  362    HD2  PRO  46           HD2      PRO  46   1.039   3.953  -6.939
  363    HD3  PRO  46           HD3      PRO  46   1.767   5.489  -6.352
  364    H    ARG  47           H        ARG  47  -1.323   5.813  -9.898
  365    HA   ARG  47           HA       ARG  47  -0.981   3.731 -11.843
  366    HB2  ARG  47           HB2      ARG  47  -3.300   3.833 -12.174
  367    HB3  ARG  47           HB3      ARG  47  -3.096   4.272 -10.480
  368    HG2  ARG  47           HG2      ARG  47  -3.330   6.694 -11.161
  369    HG3  ARG  47           HG3      ARG  47  -3.579   6.123 -12.838
  370    HD2  ARG  47           HD2      ARG  47  -5.458   4.659 -11.924
  371    HD3  ARG  47           HD3      ARG  47  -5.342   5.593 -10.429
  372    HE   ARG  47           HE       ARG  47  -6.310   7.432 -11.521
  373   HH11  ARG  47          HH11      ARG  47  -5.490   4.907 -13.879
  374   HH12  ARG  47          HH12      ARG  47  -6.368   5.688 -15.169
  375   HH21  ARG  47          HH21      ARG  47  -7.454   8.405 -13.250
  376   HH22  ARG  47          HH22      ARG  47  -7.465   7.638 -14.817
  377    H    ASP  48           H        ASP  48  -2.127   4.087 -14.101
  378    HA   ASP  48           HA       ASP  48  -0.392   5.661 -15.702
  379    HB2  ASP  48           HB2      ASP  48  -3.094   4.384 -16.247
  380    HB3  ASP  48           HB3      ASP  48  -2.020   5.036 -17.501
  381    H    ARG  49           H        ARG  49  -1.630   7.062 -17.545
  382    HA   ARG  49           HA       ARG  49  -3.138   9.191 -16.116
  383    HB2  ARG  49           HB2      ARG  49  -0.690   9.629 -16.113
  384    HB3  ARG  49           HB3      ARG  49  -0.676   9.546 -17.873
  385    HG2  ARG  49           HG2      ARG  49  -0.610  11.843 -17.049
  386    HG3  ARG  49           HG3      ARG  49  -2.046  11.581 -18.023
  387    HD2  ARG  49           HD2      ARG  49  -2.073  11.379 -14.985
  388    HD3  ARG  49           HD3      ARG  49  -2.293  12.916 -15.835
  389    HE   ARG  49           HE       ARG  49  -4.119  11.205 -17.027
  390   HH11  ARG  49          HH11      ARG  49  -3.505  12.380 -13.746
  391   HH12  ARG  49          HH12      ARG  49  -5.185  12.257 -13.266
  392   HH21  ARG  49          HH21      ARG  49  -6.301  11.057 -16.366
  393   HH22  ARG  49          HH22      ARG  49  -6.753  11.527 -14.747
  394    H    TYR  50           H        TYR  50  -3.276   7.017 -18.573
  395    HA   TYR  50           HA       TYR  50  -5.053   8.751 -20.166
  396    HB2  TYR  50           HB2      TYR  50  -3.977   7.934 -22.261
  397    HB3  TYR  50           HB3      TYR  50  -2.951   8.990 -21.295
  398    HD1  TYR  50           HD1      TYR  50  -1.032   8.099 -20.023
  399    HD2  TYR  50           HD2      TYR  50  -3.358   5.622 -22.661
  400    HE1  TYR  50           HE1      TYR  50   0.787   6.408 -20.033
  401    HE2  TYR  50           HE2      TYR  50  -1.540   3.930 -22.686
  402    HH   TYR  50           HH       TYR  50   1.485   4.372 -20.809
  403    H    THR  51           H        THR  51  -5.059   6.257 -18.268
  404    HA   THR  51           HA       THR  51  -7.014   4.747 -19.905
  405    HB   THR  51           HB       THR  51  -6.072   2.606 -19.162
  406   HG21  THR  51          HG21      THR  51  -3.942   4.287 -20.542
  407   HG22  THR  51          HG22      THR  51  -4.115   2.516 -20.599
  408   HG23  THR  51          HG23      THR  51  -5.345   3.546 -21.355
  409    H    LYS  52           H        LYS  52  -7.984   2.971 -18.348
  410    HA   LYS  52           HA       LYS  52  -8.826   4.426 -15.892
  411    HB2  LYS  52           HB2      LYS  52 -10.176   2.328 -17.630
  412    HB3  LYS  52           HB3      LYS  52 -10.795   2.819 -16.046
  413    HG2  LYS  52           HG2      LYS  52 -12.022   4.018 -17.655
  414    HG3  LYS  52           HG3      LYS  52 -10.955   5.167 -16.841
  415    HD2  LYS  52           HD2      LYS  52  -9.459   5.217 -18.775
  416    HD3  LYS  52           HD3      LYS  52 -10.382   3.899 -19.557
  417    HE2  LYS  52           HE2      LYS  52 -12.383   5.362 -19.599
  418    HE3  LYS  52           HE3      LYS  52 -11.460   6.653 -18.816
  419    HZ1  LYS  52           HZ1      LYS  52 -11.559   6.941 -21.193
  420    HZ2  LYS  52           HZ2      LYS  52 -10.005   6.678 -20.727
  421    HZ3  LYS  52           HZ3      LYS  52 -10.865   5.476 -21.450
  422    H    GLU  53           H        GLU  53  -6.344   2.793 -16.155
  423    HA   GLU  53           HA       GLU  53  -6.902   0.847 -13.980
  424    HB2  GLU  53           HB2      GLU  53  -5.467  -0.814 -15.099
  425    HB3  GLU  53           HB3      GLU  53  -6.896  -0.424 -16.066
  426    HG2  GLU  53           HG2      GLU  53  -5.553   1.102 -17.465
  427    HG3  GLU  53           HG3      GLU  53  -4.113   0.733 -16.501
  428    H    SER  54           H        SER  54  -4.317  -0.138 -13.685
  429    HA   SER  54           HA       SER  54  -2.642   2.264 -13.196
  430    HB2  SER  54           HB2      SER  54  -4.029   1.899 -11.166
  431    HB3  SER  54           HB3      SER  54  -3.429   0.225 -11.077
  432    HG   SER  54           HG       SER  54  -2.258   1.682  -9.748
  433    H    ARG  55           H        ARG  55  -0.481   1.661 -12.355
  434    HA   ARG  55           HA       ARG  55   0.788  -0.225 -14.102
  435    HB2  ARG  55           HB2      ARG  55   1.764   1.391 -11.740
  436    HB3  ARG  55           HB3      ARG  55   2.808   0.414 -12.807
  437    HG2  ARG  55           HG2      ARG  55   1.744   1.666 -14.769
  438    HG3  ARG  55           HG3      ARG  55   1.091   2.809 -13.561
  439    HD2  ARG  55           HD2      ARG  55   3.367   3.309 -12.799
  440    HD3  ARG  55           HD3      ARG  55   4.003   2.022 -13.842
  441    HE   ARG  55           HE       ARG  55   3.857   3.390 -15.695
  442   HH11  ARG  55          HH11      ARG  55   2.140   4.952 -13.009
  443   HH12  ARG  55          HH12      ARG  55   1.956   6.458 -13.863
  444   HH21  ARG  55          HH21      ARG  55   3.600   5.377 -16.767
  445   HH22  ARG  55          HH22      ARG  55   2.782   6.704 -15.977
  446    H    GLY  56           H        GLY  56  -0.738  -0.601 -11.022
  447    HA2  GLY  56           HA2      GLY  56  -1.190  -2.804 -10.220
  448    HA3  GLY  56           HA3      GLY  56   0.350  -3.372 -10.883
  449    H    PHE  57           H        PHE  57   0.536  -0.309  -9.187
  450    HA   PHE  57           HA       PHE  57   1.153  -1.568  -6.591
  451    HB2  PHE  57           HB2      PHE  57   3.391  -0.967  -6.504
  452    HB3  PHE  57           HB3      PHE  57   3.209  -1.723  -8.088
  453    HD1  PHE  57           HD2      PHE  57   2.815   0.025 -10.108
  454    HD2  PHE  57           HD1      PHE  57   4.455   1.035  -6.261
  455    HE1  PHE  57           HE2      PHE  57   3.873   2.042 -11.074
  456    HE2  PHE  57           HE1      PHE  57   5.496   3.063  -7.231
  457    HZ   PHE  57           HZ       PHE  57   5.187   3.582  -9.636
  458    H    ALA  58           H        ALA  58   1.411  -0.075  -4.903
  459    HA   ALA  58           HA       ALA  58   0.190   2.591  -5.442
  460    HB1  ALA  58           HB1      ALA  58  -0.362   2.489  -2.992
  461    HB2  ALA  58           HB2      ALA  58  -1.128   1.214  -3.929
  462    HB3  ALA  58           HB3      ALA  58   0.322   0.847  -2.948
  463    H    PHE  59           H        PHE  59   0.935   3.781  -3.069
  464    HA   PHE  59           HA       PHE  59   3.778   3.574  -2.550
  465    HB2  PHE  59           HB2      PHE  59   3.222   4.937  -4.828
  466    HB3  PHE  59           HB3      PHE  59   2.849   6.221  -3.702
  467    HD1  PHE  59           HD2      PHE  59   5.114   5.633  -1.635
  468    HD2  PHE  59           HD1      PHE  59   5.041   5.702  -5.937
  469    HE1  PHE  59           HE2      PHE  59   7.523   6.187  -1.666
  470    HE2  PHE  59           HE1      PHE  59   7.452   6.225  -5.976
  471    HZ   PHE  59           HZ       PHE  59   8.701   6.493  -3.833
  472    H    VAL  60           H        VAL  60   2.259   2.970  -0.718
  473    HA   VAL  60           HA       VAL  60   1.458   5.447   0.661
  474    HB   VAL  60           HB       VAL  60   0.885   4.347   2.476
  475   HG11  VAL  60          HG11      VAL  60   0.689   2.058   0.488
  476   HG12  VAL  60          HG12      VAL  60  -0.160   2.190   2.051
  477   HG13  VAL  60          HG13      VAL  60  -0.455   3.362   0.746
  478   HG21  VAL  60          HG21      VAL  60   2.880   3.663   3.363
  479   HG22  VAL  60          HG22      VAL  60   1.824   2.268   3.411
  480   HG23  VAL  60          HG23      VAL  60   3.109   2.385   2.157
  481    H    ARG  61           H        ARG  61   2.751   6.632   2.179
  482    HA   ARG  61           HA       ARG  61   5.526   5.692   2.590
  483    HB2  ARG  61           HB2      ARG  61   6.102   6.979   0.801
  484    HB3  ARG  61           HB3      ARG  61   4.746   8.113   0.990
  485    HG2  ARG  61           HG2      ARG  61   5.860   9.122   2.951
  486    HG3  ARG  61           HG3      ARG  61   7.202   7.953   2.789
  487    HD2  ARG  61           HD2      ARG  61   7.491   8.841   0.408
  488    HD3  ARG  61           HD3      ARG  61   6.388  10.156   0.855
  489    HE   ARG  61           HE       ARG  61   9.172   9.789   1.629
  490   HH11  ARG  61          HH11      ARG  61   6.130  11.395   2.564
  491   HH12  ARG  61          HH12      ARG  61   6.943  12.573   3.551
  492   HH21  ARG  61          HH21      ARG  61  10.175  11.366   2.897
  493   HH22  ARG  61          HH22      ARG  61   9.219  12.583   3.710
  494    H    PHE  62           H        PHE  62   6.402   6.038   4.304
  495    HA   PHE  62           HA       PHE  62   4.700   7.377   6.394
  496    HB2  PHE  62           HB2      PHE  62   6.677   5.126   6.589
  497    HB3  PHE  62           HB3      PHE  62   6.104   6.035   7.979
  498    HD1  PHE  62           HD1      PHE  62   3.863   5.152   5.083
  499    HD2  PHE  62           HD2      PHE  62   5.058   4.328   9.142
  500    HE1  PHE  62           HE1      PHE  62   1.842   3.810   5.383
  501    HE2  PHE  62           HE2      PHE  62   3.048   2.913   9.427
  502    HZ   PHE  62           HZ       PHE  62   1.462   2.624   7.592
  503    H    HIS  63           H        HIS  63   5.494   8.804   7.719
  504    HA   HIS  63           HA       HIS  63   7.890  10.317   6.975
  505    HB2  HIS  63           HB2      HIS  63   6.852  11.908   8.662
  506    HB3  HIS  63           HB3      HIS  63   5.794  11.502   7.304
  507    HD2  HIS  63           HD2      HIS  63   3.452  11.791   8.600
  508    HE1  HIS  63           HE1      HIS  63   4.045   8.738  11.500
  509    HE2  HIS  63           HE2      HIS  63   2.363  10.393  10.510
  510    H    ASP  64           H        ASP  64   7.241   7.719   9.011
  511    HA   ASP  64           HA       ASP  64   9.567   8.325  10.715
  512    HB2  ASP  64           HB2      ASP  64   7.546   9.202  11.893
  513    HB3  ASP  64           HB3      ASP  64   6.855   7.573  11.853
  514    H    LYS  65           H        LYS  65  10.813   6.629  10.384
  515    HA   LYS  65           HA       LYS  65  10.096   4.202   9.218
  516    HB2  LYS  65           HB2      LYS  65  12.299   3.474   9.733
  517    HB3  LYS  65           HB3      LYS  65  12.338   5.214   9.375
  518    HG2  LYS  65           HG2      LYS  65  12.168   5.529  11.969
  519    HG3  LYS  65           HG3      LYS  65  12.620   3.816  12.050
  520    HD2  LYS  65           HD2      LYS  65  14.182   6.099  10.773
  521    HD3  LYS  65           HD3      LYS  65  14.626   5.206  12.236
  522    HE2  LYS  65           HE2      LYS  65  14.915   3.147  10.919
  523    HE3  LYS  65           HE3      LYS  65  14.388   3.990   9.451
  524    HZ1  LYS  65           HZ1      LYS  65  16.777   4.648  11.036
  525    HZ2  LYS  65           HZ2      LYS  65  16.761   3.901   9.568
  526    HZ3  LYS  65           HZ3      LYS  65  16.265   5.454   9.691
  527    H    ARG  66           H        ARG  66   9.752   5.134  12.610
  528    HA   ARG  66           HA       ARG  66   9.833   2.438  13.650
  529    HB2  ARG  66           HB2      ARG  66   8.561   4.987  14.754
  530    HB3  ARG  66           HB3      ARG  66   8.848   3.489  15.664
  531    HG2  ARG  66           HG2      ARG  66  10.964   5.301  14.417
  532    HG3  ARG  66           HG3      ARG  66  10.602   5.129  16.138
  533    HD2  ARG  66           HD2      ARG  66  11.254   2.708  15.991
  534    HD3  ARG  66           HD3      ARG  66  11.699   2.980  14.292
  535    HE   ARG  66           HE       ARG  66  12.986   4.778  16.212
  536   HH11  ARG  66          HH11      ARG  66  13.214   1.725  14.432
  537   HH12  ARG  66          HH12      ARG  66  14.953   1.629  14.585
  538   HH21  ARG  66          HH21      ARG  66  15.256   4.626  16.391
  539   HH22  ARG  66          HH22      ARG  66  16.105   3.263  15.696
  540    H    ASP  67           H        ASP  67   7.162   4.662  12.714
  541    HA   ASP  67           HA       ASP  67   5.106   2.706  13.240
  542    HB2  ASP  67           HB2      ASP  67   5.137   5.144  11.412
  543    HB3  ASP  67           HB3      ASP  67   3.694   4.236  11.873
  544    H    ALA  68           H        ALA  68   7.320   3.370  10.571
  545    HA   ALA  68           HA       ALA  68   5.870   1.843   8.595
  546    HB1  ALA  68           HB1      ALA  68   8.733   2.849   8.829
  547    HB2  ALA  68           HB2      ALA  68   8.073   2.115   7.378
  548    HB3  ALA  68           HB3      ALA  68   7.383   3.659   7.987
  549    H    GLU  69           H        GLU  69   8.453   1.177  10.992
  550    HA   GLU  69           HA       GLU  69   9.310  -1.338  10.021
  551    HB2  GLU  69           HB2      GLU  69   9.242   0.078  12.679
  552    HB3  GLU  69           HB3      GLU  69   9.538  -1.661  12.662
  553    HG2  GLU  69           HG2      GLU  69  11.405  -1.302  11.030
  554    HG3  GLU  69           HG3      GLU  69  11.146   0.434  11.112
  555    H    ASP  70           H        ASP  70   6.713  -0.489  12.392
  556    HA   ASP  70           HA       ASP  70   6.043  -3.263  12.807
  557    HB2  ASP  70           HB2      ASP  70   4.392  -0.769  13.326
  558    HB3  ASP  70           HB3      ASP  70   4.102  -2.398  13.978
  559    H    ALA  71           H        ALA  71   4.680  -0.663  10.720
  560    HA   ALA  71           HA       ALA  71   2.436  -2.100   9.810
  561    HB1  ALA  71           HB1      ALA  71   2.396  -0.504   7.982
  562    HB2  ALA  71           HB2      ALA  71   2.867   0.354   9.458
  563    HB3  ALA  71           HB3      ALA  71   4.095  -0.068   8.233
  564    H    MET  72           H        MET  72   5.729  -1.795   8.397
  565    HA   MET  72           HA       MET  72   5.258  -3.502   6.174
  566    HB2  MET  72           HB2      MET  72   7.056  -1.895   6.225
  567    HB3  MET  72           HB3      MET  72   7.712  -2.585   7.719
  568    HG2  MET  72           HG2      MET  72   8.535  -4.498   6.644
  569    HG3  MET  72           HG3      MET  72   7.585  -4.222   5.185
  570    HE1  MET  72           HE1      MET  72   9.270  -1.098   6.905
  571    HE2  MET  72           HE2      MET  72  10.220  -2.464   7.536
  572    HE3  MET  72           HE3      MET  72  10.971  -1.290   6.430
  573    H    ASP  73           H        ASP  73   6.574  -4.163   9.464
  574    HA   ASP  73           HA       ASP  73   7.180  -6.902   8.870
  575    HB2  ASP  73           HB2      ASP  73   8.233  -5.568  10.694
  576    HB3  ASP  73           HB3      ASP  73   6.676  -5.520  11.538
  577    H    ALA  74           H        ALA  74   4.215  -5.303   9.153
  578    HA   ALA  74           HA       ALA  74   2.824  -7.835   9.864
  579    HB1  ALA  74           HB1      ALA  74   2.096  -4.965  10.553
  580    HB2  ALA  74           HB2      ALA  74   1.114  -6.406  10.941
  581    HB3  ALA  74           HB3      ALA  74   2.715  -6.177  11.682
  582    H    MET  75           H        MET  75   3.535  -5.985   7.236
  583    HA   MET  75           HA       MET  75   0.862  -6.502   6.023
  584    HB2  MET  75           HB2      MET  75   2.477  -3.934   5.953
  585    HB3  MET  75           HB3      MET  75   1.266  -4.315   4.741
  586    HG2  MET  75           HG2      MET  75   0.739  -4.138   7.733
  587    HG3  MET  75           HG3      MET  75   0.334  -2.914   6.522
  588    HE1  MET  75           HE1      MET  75  -0.460  -5.233   4.162
  589    HE2  MET  75           HE2      MET  75  -2.219  -4.961   4.270
  590    HE3  MET  75           HE3      MET  75  -1.084  -3.584   4.342
  591    H    ASP  76           H        ASP  76   4.388  -6.582   5.679
  592    HA   ASP  76           HA       ASP  76   4.367  -6.734   2.828
  593    HB2  ASP  76           HB2      ASP  76   6.385  -6.300   4.203
  594    HB3  ASP  76           HB3      ASP  76   6.338  -7.978   4.784
  595    H    GLY  77           H        GLY  77   3.362  -8.217   1.629
  596    HA2  GLY  77           HA2      GLY  77   2.644 -10.217   0.840
  597    HA3  GLY  77           HA3      GLY  77   3.681 -11.049   2.026
  598    H    ALA  78           H        ALA  78   1.223  -8.688   2.938
  599    HA   ALA  78           HA       ALA  78  -0.026 -10.715   4.657
  600    HB1  ALA  78           HB1      ALA  78  -1.184  -8.779   5.659
  601    HB2  ALA  78           HB2      ALA  78   0.577  -8.537   5.579
  602    HB3  ALA  78           HB3      ALA  78  -0.487  -7.714   4.413
  603    H    VAL  79           H        VAL  79  -0.501  -9.901   1.522
  604    HA   VAL  79           HA       VAL  79  -2.324  -9.754   0.109
  605    HB   VAL  79           HB       VAL  79  -1.635 -12.000  -0.021
  606   HG11  VAL  79          HG11      VAL  79  -3.257 -12.580   2.476
  607   HG12  VAL  79          HG12      VAL  79  -2.466 -13.796   1.440
  608   HG13  VAL  79          HG13      VAL  79  -1.481 -12.602   2.304
  609   HG21  VAL  79          HG21      VAL  79  -3.633 -11.473  -1.160
  610   HG22  VAL  79          HG22      VAL  79  -3.501 -13.182  -0.701
  611   HG23  VAL  79          HG23      VAL  79  -4.617 -12.121   0.192
  612    H    LEU  80           H        LEU  80  -3.284  -7.886   1.308
  613    HA   LEU  80           HA       LEU  80  -5.617  -8.406   2.913
  614    HB2  LEU  80           HB2      LEU  80  -6.010  -6.013   2.792
  615    HB3  LEU  80           HB3      LEU  80  -4.324  -6.381   3.170
  616    HG   LEU  80           HG       LEU  80  -3.746  -5.951   0.755
  617   HD11  LEU  80          HD11      LEU  80  -6.616  -4.921   0.703
  618   HD12  LEU  80          HD12      LEU  80  -5.360  -4.442  -0.471
  619   HD13  LEU  80          HD13      LEU  80  -5.890  -6.125  -0.395
  620   HD21  LEU  80          HD21      LEU  80  -5.055  -3.710   2.327
  621   HD22  LEU  80          HD22      LEU  80  -3.374  -4.306   2.509
  622   HD23  LEU  80          HD23      LEU  80  -3.881  -3.497   1.013
  623    H    ASP  81           H        ASP  81  -5.196  -8.940  -0.399
  624    HA   ASP  81           HA       ASP  81  -8.147  -8.792  -0.726
  625    HB2  ASP  81           HB2      ASP  81  -7.276  -6.840  -1.876
  626    HB3  ASP  81           HB3      ASP  81  -6.085  -7.829  -2.723
  627    H    GLY  82           H        GLY  82  -5.067 -10.073  -2.110
  628    HA2  GLY  82           HA2      GLY  82  -5.275 -12.674  -1.933
  629    HA3  GLY  82           HA3      GLY  82  -6.537 -12.441  -3.168
  630    H    ARG  83           H        ARG  83  -3.562 -10.553  -2.870
  631    HA   ARG  83           HA       ARG  83  -2.423 -11.905  -5.278
  632    HB2  ARG  83           HB2      ARG  83  -1.757  -9.583  -6.040
  633    HB3  ARG  83           HB3      ARG  83  -3.505  -9.906  -6.108
  634    HG2  ARG  83           HG2      ARG  83  -3.964  -8.575  -4.223
  635    HG3  ARG  83           HG3      ARG  83  -2.313  -8.698  -3.597
  636    HD2  ARG  83           HD2      ARG  83  -1.530  -7.402  -5.579
  637    HD3  ARG  83           HD3      ARG  83  -3.238  -7.084  -5.976
  638    HE   ARG  83           HE       ARG  83  -1.624  -5.842  -3.907
  639   HH11  ARG  83          HH11      ARG  83  -4.939  -6.823  -4.646
  640   HH12  ARG  83          HH12      ARG  83  -5.635  -5.588  -3.616
  641   HH21  ARG  83          HH21      ARG  83  -2.555  -4.290  -2.570
  642   HH22  ARG  83          HH22      ARG  83  -4.301  -4.188  -2.439
  643    H    GLU  84           H        GLU  84  -1.940 -10.175  -2.280
  644    HA   GLU  84           HA       GLU  84  -0.378 -10.705  -0.713
  645    HB2  GLU  84           HB2      GLU  84   0.565 -12.454  -2.645
  646    HB3  GLU  84           HB3      GLU  84   1.953 -11.389  -2.335
  647    HG2  GLU  84           HG2      GLU  84   1.432 -11.762   0.168
  648    HG3  GLU  84           HG3      GLU  84   0.317 -13.023  -0.356
  649    H    LEU  85           H        LEU  85  -0.551  -8.616  -0.243
  650    HA   LEU  85           HA       LEU  85   0.430  -6.362  -1.468
  651    HB2  LEU  85           HB2      LEU  85  -0.922  -7.013   0.773
  652    HB3  LEU  85           HB3      LEU  85   0.627  -6.677   1.523
  653    HG   LEU  85           HG       LEU  85  -0.972  -4.811   1.599
  654   HD11  LEU  85          HD11      LEU  85   1.284  -3.989  -0.242
  655   HD12  LEU  85          HD12      LEU  85   0.467  -3.038   1.004
  656   HD13  LEU  85          HD13      LEU  85   1.520  -4.389   1.485
  657   HD21  LEU  85          HD21      LEU  85  -0.656  -4.628  -1.421
  658   HD22  LEU  85          HD22      LEU  85  -2.093  -5.287  -0.600
  659   HD23  LEU  85          HD23      LEU  85  -1.626  -3.580  -0.380
  660    H    ARG  86           H        ARG  86   2.298  -4.986  -1.008
  661    HA   ARG  86           HA       ARG  86   4.736  -6.474  -0.140
  662    HB2  ARG  86           HB2      ARG  86   4.324  -4.775  -2.631
  663    HB3  ARG  86           HB3      ARG  86   5.917  -5.278  -2.029
  664    HG2  ARG  86           HG2      ARG  86   3.673  -7.152  -2.892
  665    HG3  ARG  86           HG3      ARG  86   5.091  -6.722  -3.864
  666    HD2  ARG  86           HD2      ARG  86   6.581  -7.636  -2.086
  667    HD3  ARG  86           HD3      ARG  86   5.153  -8.108  -1.151
  668    HE   ARG  86           HE       ARG  86   5.893  -9.231  -3.827
  669   HH11  ARG  86          HH11      ARG  86   4.309  -9.552  -0.683
  670   HH12  ARG  86          HH12      ARG  86   3.996 -11.267  -0.905
  671   HH21  ARG  86          HH21      ARG  86   5.390 -11.439  -4.094
  672   HH22  ARG  86          HH22      ARG  86   4.551 -12.299  -2.815
  673    H    VAL  87           H        VAL  87   6.089  -5.318   1.143
  674    HA   VAL  87           HA       VAL  87   5.712  -2.375   1.264
  675    HB   VAL  87           HB       VAL  87   5.824  -4.099   3.761
  676   HG11  VAL  87          HG11      VAL  87   5.169  -1.183   3.190
  677   HG12  VAL  87          HG12      VAL  87   5.010  -1.960   4.782
  678   HG13  VAL  87          HG13      VAL  87   6.608  -1.809   4.012
  679   HG21  VAL  87          HG21      VAL  87   3.758  -4.726   2.763
  680   HG22  VAL  87          HG22      VAL  87   3.407  -3.537   4.030
  681   HG23  VAL  87          HG23      VAL  87   3.370  -3.069   2.308
  682    H    GLN  88           H        GLN  88   7.527  -1.237   1.678
  683    HA   GLN  88           HA       GLN  88  10.012  -2.367   2.657
  684    HB2  GLN  88           HB2      GLN  88  11.175  -2.013   0.425
  685    HB3  GLN  88           HB3      GLN  88  10.110  -3.425   0.492
  686    HG2  GLN  88           HG2      GLN  88   8.313  -2.189  -0.640
  687    HG3  GLN  88           HG3      GLN  88   9.315  -0.730  -0.684
  688   HE21  GLN  88          HE22      GLN  88   8.174  -1.867  -2.987
  689   HE22  GLN  88          HE21      GLN  88   9.451  -2.521  -3.992
  690    H    MET  89           H        MET  89  11.551  -0.742   3.018
  691    HA   MET  89           HA       MET  89  10.772   1.914   3.368
  692    HB2  MET  89           HB2      MET  89  13.465   0.619   2.873
  693    HB3  MET  89           HB3      MET  89  13.296   2.337   3.292
  694    HG2  MET  89           HG2      MET  89  11.955   0.165   4.924
  695    HG3  MET  89           HG3      MET  89  13.631   0.609   5.215
  696    HE1  MET  89           HE1      MET  89  12.289   0.787   7.673
  697    HE2  MET  89           HE2      MET  89  11.150   2.111   8.054
  698    HE3  MET  89           HE3      MET  89  10.660   0.808   6.944
  699    H    ALA  90           H        ALA  90  10.631   3.696   2.058
  700    HA   ALA  90           HA       ALA  90  10.672   3.331  -0.818
  701    HB1  ALA  90           HB1      ALA  90   9.050   4.813   0.400
  702    HB2  ALA  90           HB2      ALA  90  10.400   5.872   0.835
  703    HB3  ALA  90           HB3      ALA  90   9.957   5.663  -0.876
  704    H    ARG  91           H        ARG  91  13.055   4.202   1.531
  705    HA   ARG  91           HA       ARG  91  15.155   5.048   1.396
  706    HB2  ARG  91           HB2      ARG  91  15.317   2.962   0.078
  707    HB3  ARG  91           HB3      ARG  91  14.971   3.858  -1.402
  708    HG2  ARG  91           HG2      ARG  91  17.208   5.062   0.053
  709    HG3  ARG  91           HG3      ARG  91  17.485   3.336  -0.238
  710    HD2  ARG  91           HD2      ARG  91  16.994   3.596  -2.624
  711    HD3  ARG  91           HD3      ARG  91  16.614   5.301  -2.403
  712    HE   ARG  91           HE       ARG  91  19.267   4.077  -2.535
  713   HH11  ARG  91          HH11      ARG  91  17.426   6.901  -1.475
  714   HH12  ARG  91          HH12      ARG  91  18.820   7.960  -1.488
  715   HH21  ARG  91          HH21      ARG  91  21.064   5.487  -2.550
  716   HH22  ARG  91          HH22      ARG  91  20.867   7.163  -2.099
  717    H    TYR  92           H        TYR  92  12.973   6.911   0.690
  718    HA   TYR  92           HA       TYR  92  14.536   8.796  -1.010
  719    HB2  TYR  92           HB2      TYR  92  11.530   8.408  -0.889
  720    HB3  TYR  92           HB3      TYR  92  12.357   9.676  -1.799
  721    HD1  TYR  92           HD2      TYR  92  14.675   8.065  -2.902
  722    HD2  TYR  92           HD1      TYR  92  10.470   7.207  -2.620
  723    HE1  TYR  92           HE2      TYR  92  14.855   6.555  -4.864
  724    HE2  TYR  92           HE1      TYR  92  10.639   5.689  -4.572
  725    HH   TYR  92           HH       TYR  92  12.023   4.772  -6.159
  726    H    GLY  93           H        GLY  93  14.151   8.312   2.035
  727    HA2  GLY  93           HA2      GLY  93  14.357  11.132   2.677
  728    HA3  GLY  93           HA3      GLY  93  12.880  10.395   3.334
  729    H    ARG  94           H        ARG  94  15.312  11.477   4.678
  730    HA   ARG  94           HA       ARG  94  15.686   9.366   6.630
  731    HB2  ARG  94           HB2      ARG  94  17.257   8.919   4.597
  732    HB3  ARG  94           HB3      ARG  94  18.160  10.336   5.119
  733    HG2  ARG  94           HG2      ARG  94  17.604   7.921   6.892
  734    HG3  ARG  94           HG3      ARG  94  19.014   8.060   5.834
  735    HD2  ARG  94           HD2      ARG  94  19.693  10.145   7.019
  736    HD3  ARG  94           HD3      ARG  94  18.343   9.896   8.154
  737    HE   ARG  94           HE       ARG  94  20.029   7.555   7.931
  738   HH11  ARG  94          HH11      ARG  94  19.803  10.737   9.448
  739   HH12  ARG  94          HH12      ARG  94  20.763  10.273  10.832
  740   HH21  ARG  94          HH21      ARG  94  21.301   6.993   9.682
  741   HH22  ARG  94          HH22      ARG  94  21.651   8.149  10.954
  742    HA   PRO  95           HA       PRO  95  15.920  13.324   8.721
  743    HB2  PRO  95           HB2      PRO  95  16.597  12.474  11.254
  744    HB3  PRO  95           HB3      PRO  95  14.962  12.269  10.537
  745    HG2  PRO  95           HG2      PRO  95  17.230  10.263  10.634
  746    HG3  PRO  95           HG3      PRO  95  15.510  10.016  11.096
  747    HD2  PRO  95           HD2      PRO  95  16.435   9.277   8.652
  748    HD3  PRO  95           HD3      PRO  95  14.820  10.024   8.822
  749    HA   PRO  96           HA       PRO  96  20.135  14.554   8.735
  750    HB2  PRO  96           HB2      PRO  96  20.266  16.532  10.612
  751    HB3  PRO  96           HB3      PRO  96  19.338  16.696   9.088
  752    HG2  PRO  96           HG2      PRO  96  18.306  15.884  11.828
  753    HG3  PRO  96           HG3      PRO  96  17.640  17.137  10.729
  754    HD2  PRO  96           HD2      PRO  96  16.609  14.621  10.797
  755    HD3  PRO  96           HD3      PRO  96  16.764  15.515   9.252
  756    H    ASP  97           H        ASP  97  22.104  14.936  10.221
  757    HA   ASP  97           HA       ASP  97  22.047  13.340  12.705
  758    HB2  ASP  97           HB2      ASP  97  22.495  11.772  10.803
  759    HB3  ASP  97           HB3      ASP  97  23.915  12.731  10.384
  760    H    SER  98           H        SER  98  22.817  16.146  11.231
  761    HA   SER  98           HA       SER  98  24.851  16.835  13.226
  762    HB2  SER  98           HB2      SER  98  26.151  15.885  11.304
  763    HB3  SER  98           HB3      SER  98  25.416  17.106  10.241
  764    HG   SER  98           HG       SER  98  27.463  17.738  11.057
  765    H    HIS  99           H        HIS  99  25.479  19.259  12.798
  766    HA   HIS  99           HA       HIS  99  23.255  20.815  11.645
  767    HB2  HIS  99           HB2      HIS  99  22.668  20.264  14.022
  768    HB3  HIS  99           HB3      HIS  99  24.133  21.108  14.545
  769    HD2  HIS  99           HD2      HIS  99  23.640  23.504  15.348
  770    HE1  HIS  99           HE1      HIS  99  20.324  24.462  12.864
  771    HE2  HIS  99           HE2      HIS  99  21.851  25.305  14.724
  772    H    HIS 100           H        HIS 100  26.402  20.254  11.599
  773    HA   HIS 100           HA       HIS 100  27.137  23.082  11.125
  774    HB2  HIS 100           HB2      HIS 100  28.667  21.184  12.946
  775    HB3  HIS 100           HB3      HIS 100  29.225  22.772  12.425
  776    HD2  HIS 100           HD2      HIS 100  27.046  21.080  15.013
  777    HE1  HIS 100           HE1      HIS 100  26.523  25.249  15.649
  778    HE2  HIS 100           HE2      HIS 100  26.078  22.930  16.599
  779    H    SER 101           H        SER 101  29.499  23.099  10.254
  780    HA   SER 101           HA       SER 101  30.123  20.737   8.580
  781    HB2  SER 101           HB2      SER 101  29.603  23.528   7.472
  782    HB3  SER 101           HB3      SER 101  30.246  22.145   6.561
  783    HG   SER 101           HG       SER 101  27.987  22.368   6.302
  Start of MODEL   16
    1    H    MET   1           H1       MET   1  12.231 -21.596  -4.198
    2    HA   MET   1           HA       MET   1  11.470 -20.156  -1.748
    3    HB2  MET   1           HB2      MET   1  12.134 -23.094  -2.192
    4    HB3  MET   1           HB3      MET   1  11.941 -22.318  -0.609
    5    HG2  MET   1           HG2      MET   1   9.623 -21.693  -1.178
    6    HG3  MET   1           HG3      MET   1   9.808 -22.445  -2.765
    7    HE1  MET   1           HE1      MET   1   9.481 -22.955   1.081
    8    HE2  MET   1           HE2      MET   1   9.658 -24.715   1.280
    9    HE3  MET   1           HE3      MET   1  11.057 -23.731   0.797
   10    H    SER   2           H        SER   2  13.150 -19.922  -0.191
   11    HA   SER   2           HA       SER   2  15.927 -20.514  -1.008
   12    HB2  SER   2           HB2      SER   2  14.856 -17.709  -0.482
   13    HB3  SER   2           HB3      SER   2  16.576 -18.142  -0.570
   14    HG   SER   2           HG       SER   2  14.681 -18.477  -2.653
   15    H    TYR   3           H        TYR   3  17.460 -19.893   0.764
   16    HA   TYR   3           HA       TYR   3  16.517 -20.780   3.325
   17    HB2  TYR   3           HB2      TYR   3  18.834 -20.130   4.032
   18    HB3  TYR   3           HB3      TYR   3  18.762 -21.226   2.656
   19    HD1  TYR   3           HD1      TYR   3  19.201 -17.587   3.528
   20    HD2  TYR   3           HD2      TYR   3  19.826 -20.714   0.629
   21    HE1  TYR   3           HE1      TYR   3  20.595 -16.060   2.180
   22    HE2  TYR   3           HE2      TYR   3  21.228 -19.181  -0.721
   23    HH   TYR   3           HH       TYR   3  21.837 -15.792   0.274
   24    H    GLY   4           H        GLY   4  16.622 -17.661   1.765
   25    HA2  GLY   4           HA2      GLY   4  15.144 -16.085   3.294
   26    HA3  GLY   4           HA3      GLY   4  16.581 -16.178   4.327
   27    H    ARG   5           H        ARG   5  16.547 -13.803   3.912
   28    HA   ARG   5           HA       ARG   5  18.375 -13.191   1.676
   29    HB2  ARG   5           HB2      ARG   5  15.734 -11.779   2.276
   30    HB3  ARG   5           HB3      ARG   5  17.010 -11.024   1.331
   31    HG2  ARG   5           HG2      ARG   5  15.602 -13.624   0.589
   32    HG3  ARG   5           HG3      ARG   5  15.273 -12.027  -0.099
   33    HD2  ARG   5           HD2      ARG   5  17.659 -11.885  -0.849
   34    HD3  ARG   5           HD3      ARG   5  17.904 -13.548  -0.303
   35    HE   ARG   5           HE       ARG   5  16.363 -12.618  -2.646
   36   HH11  ARG   5          HH11      ARG   5  17.210 -15.335  -0.545
   37   HH12  ARG   5          HH12      ARG   5  16.744 -16.536  -1.737
   38   HH21  ARG   5          HH21      ARG   5  15.743 -14.211  -4.150
   39   HH22  ARG   5          HH22      ARG   5  15.899 -15.905  -3.748
   40    HA   PRO   6           HA       PRO   6  20.353 -10.844   4.831
   41    HB2  PRO   6           HB2      PRO   6  21.587  -8.830   3.425
   42    HB3  PRO   6           HB3      PRO   6  22.070 -10.550   3.285
   43    HG2  PRO   6           HG2      PRO   6  20.217  -8.992   1.465
   44    HG3  PRO   6           HG3      PRO   6  21.610 -10.025   1.001
   45    HD2  PRO   6           HD2      PRO   6  19.059 -10.950   0.959
   46    HD3  PRO   6           HD3      PRO   6  20.414 -12.003   1.475
   47    HA   PRO   7           HA       PRO   7  17.760  -7.449   6.029
   48    HB2  PRO   7           HB2      PRO   7  19.417  -5.921   7.573
   49    HB3  PRO   7           HB3      PRO   7  18.899  -7.567   8.061
   50    HG2  PRO   7           HG2      PRO   7  21.476  -6.745   6.686
   51    HG3  PRO   7           HG3      PRO   7  21.286  -7.784   8.142
   52    HD2  PRO   7           HD2      PRO   7  21.590  -8.838   5.652
   53    HD3  PRO   7           HD3      PRO   7  20.499  -9.598   6.850
   54    HA   PRO   8           HA       PRO   8  18.566  -3.947   3.354
   55    HB2  PRO   8           HB2      PRO   8  16.843  -2.103   4.288
   56    HB3  PRO   8           HB3      PRO   8  16.244  -3.708   3.785
   57    HG2  PRO   8           HG2      PRO   8  16.951  -2.825   6.606
   58    HG3  PRO   8           HG3      PRO   8  15.405  -3.546   6.041
   59    HD2  PRO   8           HD2      PRO   8  17.481  -4.991   7.121
   60    HD3  PRO   8           HD3      PRO   8  16.371  -5.672   5.869
   61    H    ASP   9           H        ASP   9  18.246  -1.230   4.781
   62    HA   ASP   9           HA       ASP   9  20.743  -1.110   6.344
   63    HB2  ASP   9           HB2      ASP   9  20.327   0.513   3.802
   64    HB3  ASP   9           HB3      ASP   9  21.670   0.664   4.958
   65    H    VAL  10           H        VAL  10  18.007  -0.771   7.148
   66    HA   VAL  10           HA       VAL  10  17.230   1.959   7.178
   67    HB   VAL  10           HB       VAL  10  15.755   1.335   9.041
   68   HG11  VAL  10          HG11      VAL  10  14.473  -0.417   7.859
   69   HG12  VAL  10          HG12      VAL  10  15.084   0.835   6.749
   70   HG13  VAL  10          HG13      VAL  10  15.876  -0.755   6.829
   71   HG21  VAL  10          HG21      VAL  10  17.297  -0.190  10.252
   72   HG22  VAL  10          HG22      VAL  10  15.743  -0.978   9.912
   73   HG23  VAL  10          HG23      VAL  10  17.170  -1.370   8.926
   74    H    GLU  11           H        GLU  11  19.954   0.712   8.439
   75    HA   GLU  11           HA       GLU  11  20.343   2.038  10.937
   76    HB2  GLU  11           HB2      GLU  11  22.153   1.104   8.679
   77    HB3  GLU  11           HB3      GLU  11  22.796   1.895  10.135
   78    HG2  GLU  11           HG2      GLU  11  22.889  -0.495  10.444
   79    HG3  GLU  11           HG3      GLU  11  21.705   0.228  11.556
   80    H    GLY  12           H        GLY  12  19.972   3.253   7.781
   81    HA2  GLY  12           HA2      GLY  12  20.522   5.994   8.668
   82    HA3  GLY  12           HA3      GLY  12  21.601   5.396   7.397
   83    H    MET  13           H        MET  13  18.184   4.372   7.626
   84    HA   MET  13           HA       MET  13  17.464   6.156   5.367
   85    HB2  MET  13           HB2      MET  13  18.253   4.123   4.341
   86    HB3  MET  13           HB3      MET  13  17.391   3.127   5.537
   87    HG2  MET  13           HG2      MET  13  15.249   3.858   4.689
   88    HG3  MET  13           HG3      MET  13  16.028   4.950   3.541
   89    HE1  MET  13           HE1      MET  13  17.305   1.324   4.494
   90    HE2  MET  13           HE2      MET  13  15.542   1.237   4.665
   91    HE3  MET  13           HE3      MET  13  16.354   0.317   3.376
   92    H    THR  14           H        THR  14  15.266   6.548   5.200
   93    HA   THR  14           HA       THR  14  13.365   5.383   7.127
   94    HB   THR  14           HB       THR  14  13.970   8.367   6.918
   95   HG21  THR  14          HG21      THR  14  11.637   8.272   7.344
   96   HG22  THR  14          HG22      THR  14  11.793   6.843   8.386
   97   HG23  THR  14          HG23      THR  14  12.384   8.427   8.942
   98    H    SER  15           H        SER  15  11.145   6.549   6.593
   99    HA   SER  15           HA       SER  15   9.446   6.967   5.115
  100    HB2  SER  15           HB2      SER  15  11.534   7.239   2.927
  101    HB3  SER  15           HB3      SER  15   9.814   7.649   2.834
  102    HG   SER  15           HG       SER  15  10.146   9.177   4.484
  103    H    LEU  16           H        LEU  16   8.070   5.665   4.449
  104    HA   LEU  16           HA       LEU  16   9.005   2.940   3.634
  105    HB2  LEU  16           HB2      LEU  16   7.503   3.283   5.651
  106    HB3  LEU  16           HB3      LEU  16   6.242   3.841   4.540
  107    HG   LEU  16           HG       LEU  16   6.341   1.622   3.371
  108   HD11  LEU  16          HD11      LEU  16   8.676   1.011   4.002
  109   HD12  LEU  16          HD12      LEU  16   8.181   0.887   5.699
  110   HD13  LEU  16          HD13      LEU  16   7.522  -0.242   4.496
  111   HD21  LEU  16          HD21      LEU  16   5.210   0.368   5.161
  112   HD22  LEU  16          HD22      LEU  16   5.819   1.525   6.363
  113   HD23  LEU  16          HD23      LEU  16   4.675   2.056   5.103
  114    H    LYS  17           H        LYS  17   7.815   1.864   1.948
  115    HA   LYS  17           HA       LYS  17   6.172   3.433   0.046
  116    HB2  LYS  17           HB2      LYS  17   8.180   3.629  -1.076
  117    HB3  LYS  17           HB3      LYS  17   8.809   2.101  -0.433
  118    HG2  LYS  17           HG2      LYS  17   8.446   1.850  -2.771
  119    HG3  LYS  17           HG3      LYS  17   7.261   0.852  -1.918
  120    HD2  LYS  17           HD2      LYS  17   5.578   2.699  -2.259
  121    HD3  LYS  17           HD3      LYS  17   6.798   3.568  -3.222
  122    HE2  LYS  17           HE2      LYS  17   5.734   0.787  -3.832
  123    HE3  LYS  17           HE3      LYS  17   5.230   2.278  -4.639
  124    HZ1  LYS  17           HZ1      LYS  17   7.966   1.192  -4.644
  125    HZ2  LYS  17           HZ2      LYS  17   6.907   1.118  -5.895
  126    HZ3  LYS  17           HZ3      LYS  17   7.484   2.573  -5.394
  127    H    VAL  18           H        VAL  18   4.453   2.222  -0.571
  128    HA   VAL  18           HA       VAL  18   4.557  -0.759  -0.158
  129    HB   VAL  18           HB       VAL  18   2.478   1.300   0.508
  130   HG11  VAL  18          HG11      VAL  18   1.994  -1.668   0.020
  131   HG12  VAL  18          HG12      VAL  18   0.832  -0.574   0.814
  132   HG13  VAL  18          HG13      VAL  18   1.266  -0.336  -0.888
  133   HG21  VAL  18          HG21      VAL  18   4.103   0.523   2.231
  134   HG22  VAL  18          HG22      VAL  18   2.427   0.079   2.634
  135   HG23  VAL  18          HG23      VAL  18   3.556  -1.138   1.965
  136    H    ASP  19           H        ASP  19   3.650  -1.987  -1.660
  137    HA   ASP  19           HA       ASP  19   2.754  -0.856  -4.254
  138    HB2  ASP  19           HB2      ASP  19   4.914  -0.910  -4.868
  139    HB3  ASP  19           HB3      ASP  19   5.391  -1.926  -3.510
  140    H    ASN  20           H        ASN  20   2.401  -2.758  -5.793
  141    HA   ASN  20           HA       ASN  20   1.265  -4.549  -6.455
  142    HB2  ASN  20           HB2      ASN  20   2.758  -5.691  -4.646
  143    HB3  ASN  20           HB3      ASN  20   1.230  -5.817  -3.740
  144   HD21  ASN  20          HD22      ASN  20   0.737  -7.999  -3.940
  145   HD22  ASN  20          HD21      ASN  20   0.584  -8.822  -5.472
  146    H    LEU  21           H        LEU  21  -0.722  -4.039  -7.047
  147    HA   LEU  21           HA       LEU  21  -2.865  -3.826  -4.974
  148    HB2  LEU  21           HB2      LEU  21  -2.678  -2.149  -7.492
  149    HB3  LEU  21           HB3      LEU  21  -3.842  -1.988  -6.175
  150    HG   LEU  21           HG       LEU  21  -0.857  -1.438  -5.985
  151   HD11  LEU  21          HD11      LEU  21  -1.585   0.926  -5.909
  152   HD12  LEU  21          HD12      LEU  21  -2.117   0.149  -7.413
  153   HD13  LEU  21          HD13      LEU  21  -3.278   0.411  -6.090
  154   HD21  LEU  21          HD21      LEU  21  -2.963  -0.632  -3.965
  155   HD22  LEU  21          HD22      LEU  21  -2.117  -2.199  -3.849
  156   HD23  LEU  21          HD23      LEU  21  -1.182  -0.704  -3.800
  157    H    THR  22           H        THR  22  -5.008  -4.265  -5.787
  158    HA   THR  22           HA       THR  22  -4.989  -6.243  -7.975
  159    HB   THR  22           HB       THR  22  -5.978  -6.739  -5.740
  160   HG21  THR  22          HG21      THR  22  -7.019  -4.545  -5.285
  161   HG22  THR  22          HG22      THR  22  -8.183  -4.824  -6.607
  162   HG23  THR  22          HG23      THR  22  -8.188  -5.868  -5.169
  163    H    TYR  23           H        TYR  23  -5.069  -3.085  -8.033
  164    HA   TYR  23           HA       TYR  23  -5.620  -1.606  -9.665
  165    HB2  TYR  23           HB2      TYR  23  -6.197  -2.430 -11.606
  166    HB3  TYR  23           HB3      TYR  23  -6.581  -3.973 -10.867
  167    HD1  TYR  23           HD2      TYR  23  -9.042  -3.996  -9.662
  168    HD2  TYR  23           HD1      TYR  23  -7.802  -1.387 -12.841
  169    HE1  TYR  23           HE2      TYR  23 -11.419  -3.691 -10.334
  170    HE2  TYR  23           HE1      TYR  23 -10.172  -1.067 -13.514
  171    HH   TYR  23           HH       TYR  23 -12.349  -1.612 -13.097
  172    H    ARG  24           H        ARG  24  -7.488  -2.834  -7.288
  173    HA   ARG  24           HA       ARG  24  -9.217  -0.397  -7.226
  174    HB2  ARG  24           HB2      ARG  24 -10.442  -2.283  -8.230
  175    HB3  ARG  24           HB3      ARG  24 -10.122  -3.270  -6.802
  176    HG2  ARG  24           HG2      ARG  24 -11.532  -1.779  -5.434
  177    HG3  ARG  24           HG3      ARG  24 -11.677  -0.632  -6.793
  178    HD2  ARG  24           HD2      ARG  24 -12.823  -2.365  -8.115
  179    HD3  ARG  24           HD3      ARG  24 -12.653  -3.511  -6.768
  180    HE   ARG  24           HE       ARG  24 -13.952  -1.202  -5.771
  181   HH11  ARG  24          HH11      ARG  24 -14.551  -3.823  -8.058
  182   HH12  ARG  24          HH12      ARG  24 -16.284  -3.802  -7.817
  183   HH21  ARG  24          HH21      ARG  24 -16.224  -1.181  -5.481
  184   HH22  ARG  24          HH22      ARG  24 -17.224  -2.289  -6.386
  185    H    THR  25           H        THR  25  -6.819  -2.030  -5.709
  186    HA   THR  25           HA       THR  25  -7.611  -2.280  -3.018
  187    HB   THR  25           HB       THR  25  -4.984  -1.438  -4.281
  188   HG21  THR  25          HG21      THR  25  -4.916  -0.713  -1.990
  189   HG22  THR  25          HG22      THR  25  -5.630  -2.243  -1.419
  190   HG23  THR  25          HG23      THR  25  -3.982  -2.218  -2.100
  191    H    SER  26           H        SER  26  -6.618   0.584  -4.858
  192    HA   SER  26           HA       SER  26  -6.770   2.779  -4.547
  193    HB2  SER  26           HB2      SER  26  -9.038   1.967  -2.701
  194    HB3  SER  26           HB3      SER  26  -8.768   3.607  -3.323
  195    HG   SER  26           HG       SER  26  -9.313   1.249  -4.790
  196    HA   PRO  27           HA       PRO  27  -4.320   4.311  -1.229
  197    HB2  PRO  27           HB2      PRO  27  -5.140   6.944  -1.156
  198    HB3  PRO  27           HB3      PRO  27  -4.023   6.255  -2.368
  199    HG2  PRO  27           HG2      PRO  27  -6.978   6.808  -2.602
  200    HG3  PRO  27           HG3      PRO  27  -5.692   7.068  -3.824
  201    HD2  PRO  27           HD2      PRO  27  -7.392   4.932  -3.871
  202    HD3  PRO  27           HD3      PRO  27  -5.706   4.795  -4.427
  203    H    ASP  28           H        ASP  28  -7.870   4.731  -1.020
  204    HA   ASP  28           HA       ASP  28  -7.819   5.754   1.670
  205    HB2  ASP  28           HB2      ASP  28  -9.706   5.977   0.052
  206    HB3  ASP  28           HB3      ASP  28  -9.988   4.220   0.217
  207    H    THR  29           H        THR  29  -8.249   2.443   0.273
  208    HA   THR  29           HA       THR  29  -8.798   1.215   2.814
  209    HB   THR  29           HB       THR  29  -7.481  -0.057   0.383
  210   HG21  THR  29          HG21      THR  29  -9.246  -1.173   2.596
  211   HG22  THR  29          HG22      THR  29  -8.669  -2.086   1.178
  212   HG23  THR  29          HG23      THR  29  -7.510  -1.480   2.374
  213    H    LEU  30           H        LEU  30  -5.852   1.747   0.846
  214    HA   LEU  30           HA       LEU  30  -4.043   0.384   2.556
  215    HB2  LEU  30           HB2      LEU  30  -3.683   2.801   0.736
  216    HB3  LEU  30           HB3      LEU  30  -2.347   1.873   1.436
  217    HG   LEU  30           HG       LEU  30  -4.480   0.559  -0.280
  218   HD11  LEU  30          HD11      LEU  30  -1.840   1.826  -1.136
  219   HD12  LEU  30          HD12      LEU  30  -2.902   0.836  -2.170
  220   HD13  LEU  30          HD13      LEU  30  -3.476   2.400  -1.551
  221   HD21  LEU  30          HD21      LEU  30  -1.601  -0.150   0.413
  222   HD22  LEU  30          HD22      LEU  30  -3.054  -0.923   1.094
  223   HD23  LEU  30          HD23      LEU  30  -2.675  -1.094  -0.638
  224    H    ARG  31           H        ARG  31  -5.452   3.677   2.671
  225    HA   ARG  31           HA       ARG  31  -3.564   4.789   4.445
  226    HB2  ARG  31           HB2      ARG  31  -5.639   5.809   3.107
  227    HB3  ARG  31           HB3      ARG  31  -6.514   5.483   4.598
  228    HG2  ARG  31           HG2      ARG  31  -4.141   7.314   4.151
  229    HG3  ARG  31           HG3      ARG  31  -5.775   7.747   4.695
  230    HD2  ARG  31           HD2      ARG  31  -5.310   6.415   6.797
  231    HD3  ARG  31           HD3      ARG  31  -3.643   6.222   6.226
  232    HE   ARG  31           HE       ARG  31  -3.229   8.523   6.562
  233   HH11  ARG  31          HH11      ARG  31  -6.568   7.689   7.404
  234   HH12  ARG  31          HH12      ARG  31  -6.831   9.173   8.289
  235   HH21  ARG  31          HH21      ARG  31  -3.602  10.432   7.732
  236   HH22  ARG  31          HH22      ARG  31  -5.164  10.721   8.464
  237    H    ARG  32           H        ARG  32  -6.741   3.289   5.173
  238    HA   ARG  32           HA       ARG  32  -6.125   3.331   8.031
  239    HB2  ARG  32           HB2      ARG  32  -8.413   2.438   8.265
  240    HB3  ARG  32           HB3      ARG  32  -8.388   3.798   7.128
  241    HG2  ARG  32           HG2      ARG  32  -7.954   1.720   5.404
  242    HG3  ARG  32           HG3      ARG  32  -8.972   0.924   6.620
  243    HD2  ARG  32           HD2      ARG  32  -9.589   3.501   5.130
  244    HD3  ARG  32           HD3      ARG  32 -10.282   1.914   4.770
  245    HE   ARG  32           HE       ARG  32 -10.861   2.388   7.463
  246   HH11  ARG  32          HH11      ARG  32 -11.563   3.973   4.361
  247   HH12  ARG  32          HH12      ARG  32 -13.070   4.644   4.926
  248   HH21  ARG  32          HH21      ARG  32 -12.824   3.290   8.153
  249   HH22  ARG  32          HH22      ARG  32 -13.792   4.259   7.059
  250    H    VAL  33           H        VAL  33  -5.269   1.232   5.559
  251    HA   VAL  33           HA       VAL  33  -5.169  -1.172   7.282
  252    HB   VAL  33           HB       VAL  33  -4.551  -0.494   4.406
  253   HG11  VAL  33          HG11      VAL  33  -3.749  -3.057   5.833
  254   HG12  VAL  33          HG12      VAL  33  -3.816  -2.860   4.075
  255   HG13  VAL  33          HG13      VAL  33  -2.667  -1.890   5.031
  256   HG21  VAL  33          HG21      VAL  33  -6.201  -2.660   5.792
  257   HG22  VAL  33          HG22      VAL  33  -6.864  -1.140   5.161
  258   HG23  VAL  33          HG23      VAL  33  -6.172  -2.330   4.034
  259    H    PHE  34           H        PHE  34  -3.251   1.611   6.608
  260    HA   PHE  34           HA       PHE  34  -0.810   0.191   7.622
  261    HB2  PHE  34           HB2      PHE  34  -1.244   2.200   5.402
  262    HB3  PHE  34           HB3      PHE  34   0.279   2.183   6.265
  263    HD1  PHE  34           HD2      PHE  34   1.609   0.089   6.442
  264    HD2  PHE  34           HD1      PHE  34  -1.633   0.573   3.682
  265    HE1  PHE  34           HE2      PHE  34   2.489  -1.810   5.084
  266    HE2  PHE  34           HE1      PHE  34  -0.764  -1.293   2.311
  267    HZ   PHE  34           HZ       PHE  34   1.291  -2.525   3.049
  268    H    GLU  35           H        GLU  35  -2.674   3.282   7.619
  269    HA   GLU  35           HA       GLU  35  -0.837   4.445   9.400
  270    HB2  GLU  35           HB2      GLU  35  -2.345   6.271   9.600
  271    HB3  GLU  35           HB3      GLU  35  -2.665   5.587   8.012
  272    HG2  GLU  35           HG2      GLU  35  -4.799   5.929   8.806
  273    HG3  GLU  35           HG3      GLU  35  -4.521   4.223   9.199
  274    H    LYS  36           H        LYS  36  -3.164   1.986   9.801
  275    HA   LYS  36           HA       LYS  36  -4.155   2.442  12.388
  276    HB2  LYS  36           HB2      LYS  36  -4.733   0.072  12.341
  277    HB3  LYS  36           HB3      LYS  36  -5.038   0.798  10.753
  278    HG2  LYS  36           HG2      LYS  36  -2.731  -0.060  10.050
  279    HG3  LYS  36           HG3      LYS  36  -2.704  -0.974  11.567
  280    HD2  LYS  36           HD2      LYS  36  -4.631  -1.267   9.236
  281    HD3  LYS  36           HD3      LYS  36  -3.463  -2.461   9.851
  282    HE2  LYS  36           HE2      LYS  36  -4.787  -2.471  12.005
  283    HE3  LYS  36           HE3      LYS  36  -5.990  -1.448  11.175
  284    HZ1  LYS  36           HZ1      LYS  36  -6.273  -3.196   9.566
  285    HZ2  LYS  36           HZ2      LYS  36  -5.165  -4.150  10.333
  286    HZ3  LYS  36           HZ3      LYS  36  -6.575  -3.768  11.076
  287    H    TYR  37           H        TYR  37  -1.085   1.033  11.273
  288    HA   TYR  37           HA       TYR  37  -0.416  -0.011  13.861
  289    HB2  TYR  37           HB2      TYR  37   1.276   0.630  11.408
  290    HB3  TYR  37           HB3      TYR  37   1.860  -0.254  12.825
  291    HD1  TYR  37           HD1      TYR  37   1.075  -2.500  13.333
  292    HD2  TYR  37           HD2      TYR  37  -0.244  -0.419   9.807
  293    HE1  TYR  37           HE1      TYR  37   0.205  -4.630  12.410
  294    HE2  TYR  37           HE2      TYR  37  -1.119  -2.527   8.876
  295    HH   TYR  37           HH       TYR  37  -0.905  -5.635  10.676
  296    H    GLY  38           H        GLY  38  -0.226   3.123  12.341
  297    HA2  GLY  38           HA2      GLY  38   0.490   4.387  14.807
  298    HA3  GLY  38           HA3      GLY  38   1.907   4.316  13.738
  299    H    ARG  39           H        ARG  39   1.280   4.967  11.318
  300    HA   ARG  39           HA       ARG  39  -0.842   6.827  10.891
  301    HB2  ARG  39           HB2      ARG  39   1.395   7.856  12.367
  302    HB3  ARG  39           HB3      ARG  39   1.521   8.511  10.731
  303    HG2  ARG  39           HG2      ARG  39  -0.515   9.674  10.922
  304    HG3  ARG  39           HG3      ARG  39  -1.172   8.530  12.111
  305    HD2  ARG  39           HD2      ARG  39  -0.717  10.541  13.303
  306    HD3  ARG  39           HD3      ARG  39   0.469   9.332  13.785
  307    HE   ARG  39           HE       ARG  39   2.174  10.580  12.788
  308   HH11  ARG  39          HH11      ARG  39  -0.974  11.968  11.948
  309   HH12  ARG  39          HH12      ARG  39  -0.284  13.442  11.321
  310   HH21  ARG  39          HH21      ARG  39   3.040  12.513  11.957
  311   HH22  ARG  39          HH22      ARG  39   1.980  13.748  11.320
  312    H    VAL  40           H        VAL  40  -0.626   8.025   8.883
  313    HA   VAL  40           HA       VAL  40   1.370   6.881   6.992
  314    HB   VAL  40           HB       VAL  40  -1.640   7.125   6.712
  315   HG11  VAL  40          HG11      VAL  40   0.405   6.737   4.494
  316   HG12  VAL  40          HG12      VAL  40  -1.348   6.470   4.339
  317   HG13  VAL  40          HG13      VAL  40  -0.722   8.107   4.648
  318   HG21  VAL  40          HG21      VAL  40  -1.556   4.802   6.157
  319   HG22  VAL  40          HG22      VAL  40   0.187   4.872   5.841
  320   HG23  VAL  40          HG23      VAL  40  -0.406   4.974   7.513
  321    H    GLY  41           H        GLY  41   2.653   8.595   6.878
  322    HA2  GLY  41           HA2      GLY  41   1.877  11.333   6.847
  323    HA3  GLY  41           HA3      GLY  41   3.413  10.660   6.237
  324    H    ASP  42           H        ASP  42   1.998   8.883   4.268
  325    HA   ASP  42           HA       ASP  42   0.730  10.735   2.382
  326    HB2  ASP  42           HB2      ASP  42   3.509   9.544   2.037
  327    HB3  ASP  42           HB3      ASP  42   2.519  10.012   0.657
  328    H    VAL  43           H        VAL  43  -0.515   9.606   0.902
  329    HA   VAL  43           HA       VAL  43  -0.008   6.755   0.465
  330    HB   VAL  43           HB       VAL  43  -1.612   7.327   2.553
  331   HG11  VAL  43          HG11      VAL  43  -3.576   6.993   0.268
  332   HG12  VAL  43          HG12      VAL  43  -3.961   6.956   1.992
  333   HG13  VAL  43          HG13      VAL  43  -3.367   8.462   1.269
  334   HG21  VAL  43          HG21      VAL  43  -0.880   5.155   2.189
  335   HG22  VAL  43          HG22      VAL  43  -2.636   5.082   2.244
  336   HG23  VAL  43          HG23      VAL  43  -1.811   4.988   0.665
  337    H    TYR  44           H        TYR  44   0.032   6.660  -1.701
  338    HA   TYR  44           HA       TYR  44  -2.301   7.680  -3.148
  339    HB2  TYR  44           HB2      TYR  44  -1.325   9.287  -4.442
  340    HB3  TYR  44           HB3      TYR  44  -0.569   9.596  -2.884
  341    HD1  TYR  44           HD1      TYR  44   1.857   9.031  -2.560
  342    HD2  TYR  44           HD2      TYR  44  -0.130   8.430  -6.320
  343    HE1  TYR  44           HE1      TYR  44   4.062   8.887  -3.703
  344    HE2  TYR  44           HE2      TYR  44   2.053   8.250  -7.464
  345    HH   TYR  44           HH       TYR  44   5.160   8.597  -5.701
  346    H    ILE  45           H        ILE  45  -2.130   7.167  -5.540
  347    HA   ILE  45           HA       ILE  45  -0.548   4.671  -5.928
  348    HB   ILE  45           HB       ILE  45  -3.436   5.282  -6.597
  349   HG12  ILE  45          HG12      ILE  45  -3.819   3.040  -5.669
  350   HG13  ILE  45          HG13      ILE  45  -2.092   2.864  -5.317
  351   HG21  ILE  45          HG21      ILE  45  -1.645   3.070  -7.713
  352   HG22  ILE  45          HG22      ILE  45  -3.406   3.193  -7.942
  353   HG23  ILE  45          HG23      ILE  45  -2.333   4.416  -8.644
  354   HD11  ILE  45          HD11      ILE  45  -3.705   5.135  -4.138
  355   HD12  ILE  45          HD12      ILE  45  -3.677   3.510  -3.399
  356   HD13  ILE  45          HD13      ILE  45  -2.176   4.426  -3.551
  357    HA   PRO  46           HA       PRO  46   0.859   7.233  -9.432
  358    HB2  PRO  46           HB2      PRO  46   3.017   5.701 -10.061
  359    HB3  PRO  46           HB3      PRO  46   2.988   6.789  -8.642
  360    HG2  PRO  46           HG2      PRO  46   2.423   3.815  -8.715
  361    HG3  PRO  46           HG3      PRO  46   3.516   4.719  -7.599
  362    HD2  PRO  46           HD2      PRO  46   0.971   4.010  -6.941
  363    HD3  PRO  46           HD3      PRO  46   1.709   5.544  -6.367
  364    H    ARG  47           H        ARG  47  -1.426   5.974  -9.949
  365    HA   ARG  47           HA       ARG  47  -1.292   3.679 -11.646
  366    HB2  ARG  47           HB2      ARG  47  -3.608   4.074 -12.104
  367    HB3  ARG  47           HB3      ARG  47  -3.338   4.466 -10.408
  368    HG2  ARG  47           HG2      ARG  47  -3.204   6.886 -11.036
  369    HG3  ARG  47           HG3      ARG  47  -3.529   6.417 -12.730
  370    HD2  ARG  47           HD2      ARG  47  -5.390   5.800 -10.409
  371    HD3  ARG  47           HD3      ARG  47  -5.570   7.191 -11.492
  372    HE   ARG  47           HE       ARG  47  -5.432   5.140 -13.270
  373   HH11  ARG  47          HH11      ARG  47  -7.433   5.664 -10.404
  374   HH12  ARG  47          HH12      ARG  47  -8.741   4.664 -10.996
  375   HH21  ARG  47          HH21      ARG  47  -7.098   3.844 -13.996
  376   HH22  ARG  47          HH22      ARG  47  -8.571   3.660 -13.061
  377    H    ASP  48           H        ASP  48  -2.806   4.244 -13.833
  378    HA   ASP  48           HA       ASP  48  -0.925   4.766 -15.828
  379    HB2  ASP  48           HB2      ASP  48  -2.743   4.480 -17.291
  380    HB3  ASP  48           HB3      ASP  48  -3.197   3.533 -15.864
  381    H    ARG  49           H        ARG  49  -1.629   6.277 -17.728
  382    HA   ARG  49           HA       ARG  49  -2.569   8.933 -16.873
  383    HB2  ARG  49           HB2      ARG  49  -0.084   8.890 -16.671
  384    HB3  ARG  49           HB3      ARG  49   0.036   8.470 -18.384
  385    HG2  ARG  49           HG2      ARG  49   0.451  10.881 -17.926
  386    HG3  ARG  49           HG3      ARG  49  -0.900  10.626 -19.033
  387    HD2  ARG  49           HD2      ARG  49  -1.394  12.366 -17.365
  388    HD3  ARG  49           HD3      ARG  49  -2.502  10.991 -17.209
  389    HE   ARG  49           HE       ARG  49  -0.282  10.586 -15.467
  390   HH11  ARG  49          HH11      ARG  49  -3.088  12.694 -15.828
  391   HH12  ARG  49          HH12      ARG  49  -3.246  12.985 -14.108
  392   HH21  ARG  49          HH21      ARG  49  -0.497  10.986 -13.230
  393   HH22  ARG  49          HH22      ARG  49  -1.775  12.030 -12.644
  394    H    TYR  50           H        TYR  50  -2.950   6.336 -18.839
  395    HA   TYR  50           HA       TYR  50  -4.201   7.883 -20.994
  396    HB2  TYR  50           HB2      TYR  50  -2.896   6.733 -22.734
  397    HB3  TYR  50           HB3      TYR  50  -1.884   7.764 -21.727
  398    HD1  TYR  50           HD2      TYR  50  -0.434   6.691 -19.940
  399    HD2  TYR  50           HD1      TYR  50  -2.474   4.410 -22.952
  400    HE1  TYR  50           HE2      TYR  50   1.055   4.761 -19.472
  401    HE2  TYR  50           HE1      TYR  50  -0.994   2.473 -22.499
  402    HH   TYR  50           HH       TYR  50   0.745   1.655 -21.243
  403    H    THR  51           H        THR  51  -4.804   5.655 -18.822
  404    HA   THR  51           HA       THR  51  -6.367   3.958 -20.676
  405    HB   THR  51           HB       THR  51  -5.707   1.923 -19.564
  406   HG21  THR  51          HG21      THR  51  -4.221   2.730 -21.410
  407   HG22  THR  51          HG22      THR  51  -3.171   3.479 -20.181
  408   HG23  THR  51          HG23      THR  51  -3.382   1.715 -20.214
  409    H    LYS  52           H        LYS  52  -7.367   2.191 -18.791
  410    HA   LYS  52           HA       LYS  52  -8.996   3.953 -17.021
  411    HB2  LYS  52           HB2      LYS  52  -9.827   1.411 -18.488
  412    HB3  LYS  52           HB3      LYS  52 -10.867   2.430 -17.492
  413    HG2  LYS  52           HG2      LYS  52  -9.552   3.159 -20.145
  414    HG3  LYS  52           HG3      LYS  52 -11.264   2.841 -19.863
  415    HD2  LYS  52           HD2      LYS  52  -9.671   5.144 -18.674
  416    HD3  LYS  52           HD3      LYS  52 -10.822   5.253 -20.026
  417    HE2  LYS  52           HE2      LYS  52 -12.644   4.472 -18.538
  418    HE3  LYS  52           HE3      LYS  52 -11.507   4.378 -17.186
  419    HZ1  LYS  52           HZ1      LYS  52 -12.725   6.438 -17.148
  420    HZ2  LYS  52           HZ2      LYS  52 -11.140   6.747 -17.419
  421    HZ3  LYS  52           HZ3      LYS  52 -12.208   6.828 -18.662
  422    H    GLU  53           H        GLU  53  -6.460   2.352 -16.538
  423    HA   GLU  53           HA       GLU  53  -7.418   0.780 -14.213
  424    HB2  GLU  53           HB2      GLU  53  -5.919  -1.071 -14.819
  425    HB3  GLU  53           HB3      GLU  53  -7.180  -0.829 -16.026
  426    HG2  GLU  53           HG2      GLU  53  -5.576   0.409 -17.464
  427    HG3  GLU  53           HG3      GLU  53  -4.312   0.183 -16.247
  428    H    SER  54           H        SER  54  -4.767  -0.190 -13.561
  429    HA   SER  54           HA       SER  54  -3.254   2.359 -13.159
  430    HB2  SER  54           HB2      SER  54  -4.596   1.953 -11.145
  431    HB3  SER  54           HB3      SER  54  -3.949   0.289 -11.047
  432    HG   SER  54           HG       SER  54  -2.838   1.810  -9.706
  433    H    ARG  55           H        ARG  55  -1.031   1.847 -12.259
  434    HA   ARG  55           HA       ARG  55   0.308   0.041 -14.055
  435    HB2  ARG  55           HB2      ARG  55   1.235   1.529 -11.579
  436    HB3  ARG  55           HB3      ARG  55   2.316   0.731 -12.736
  437    HG2  ARG  55           HG2      ARG  55   0.434   3.045 -13.401
  438    HG3  ARG  55           HG3      ARG  55   2.162   3.185 -13.065
  439    HD2  ARG  55           HD2      ARG  55   2.052   3.221 -15.383
  440    HD3  ARG  55           HD3      ARG  55   2.534   1.556 -15.013
  441    HE   ARG  55           HE       ARG  55  -0.237   1.466 -15.168
  442   HH11  ARG  55          HH11      ARG  55   2.334   2.554 -17.339
  443   HH12  ARG  55          HH12      ARG  55   1.405   2.209 -18.782
  444   HH21  ARG  55          HH21      ARG  55  -1.394   0.993 -17.073
  445   HH22  ARG  55          HH22      ARG  55  -0.679   1.326 -18.633
  446    H    GLY  56           H        GLY  56  -1.118  -0.421 -10.912
  447    HA2  GLY  56           HA2      GLY  56  -1.492  -2.659 -10.155
  448    HA3  GLY  56           HA3      GLY  56   0.031  -3.171 -10.901
  449    H    PHE  57           H        PHE  57   0.316  -0.163  -9.175
  450    HA   PHE  57           HA       PHE  57   1.026  -1.458  -6.625
  451    HB2  PHE  57           HB2      PHE  57   3.244  -0.864  -6.611
  452    HB3  PHE  57           HB3      PHE  57   3.021  -1.638  -8.183
  453    HD1  PHE  57           HD1      PHE  57   2.609   0.061 -10.211
  454    HD2  PHE  57           HD2      PHE  57   4.365   1.108  -6.429
  455    HE1  PHE  57           HE1      PHE  57   3.661   2.062 -11.247
  456    HE2  PHE  57           HE2      PHE  57   5.418   3.098  -7.468
  457    HZ   PHE  57           HZ       PHE  57   5.041   3.594  -9.863
  458    H    ALA  58           H        ALA  58   1.352   0.018  -4.943
  459    HA   ALA  58           HA       ALA  58   0.156   2.708  -5.422
  460    HB1  ALA  58           HB1      ALA  58   0.311   0.962  -2.931
  461    HB2  ALA  58           HB2      ALA  58  -0.372   2.604  -2.989
  462    HB3  ALA  58           HB3      ALA  58  -1.146   1.313  -3.902
  463    H    PHE  59           H        PHE  59   0.965   3.845  -3.051
  464    HA   PHE  59           HA       PHE  59   3.824   3.640  -2.583
  465    HB2  PHE  59           HB2      PHE  59   3.168   5.054  -4.830
  466    HB3  PHE  59           HB3      PHE  59   2.903   6.314  -3.645
  467    HD1  PHE  59           HD1      PHE  59   5.226   5.697  -1.731
  468    HD2  PHE  59           HD2      PHE  59   4.975   5.698  -6.030
  469    HE1  PHE  59           HE1      PHE  59   7.639   6.216  -1.884
  470    HE2  PHE  59           HE2      PHE  59   7.385   6.168  -6.183
  471    HZ   PHE  59           HZ       PHE  59   8.730   6.459  -4.101
  472    H    VAL  60           H        VAL  60   2.301   2.995  -0.732
  473    HA   VAL  60           HA       VAL  60   1.502   5.460   0.672
  474    HB   VAL  60           HB       VAL  60   0.863   4.386   2.411
  475   HG11  VAL  60          HG11      VAL  60  -0.431   3.379   0.669
  476   HG12  VAL  60          HG12      VAL  60   0.729   2.067   0.452
  477   HG13  VAL  60          HG13      VAL  60  -0.177   2.206   1.979
  478   HG21  VAL  60          HG21      VAL  60   2.809   3.677   3.405
  479   HG22  VAL  60          HG22      VAL  60   1.710   2.307   3.431
  480   HG23  VAL  60          HG23      VAL  60   3.058   2.364   2.241
  481    H    ARG  61           H        ARG  61   2.794   6.717   1.995
  482    HA   ARG  61           HA       ARG  61   5.547   5.742   2.521
  483    HB2  ARG  61           HB2      ARG  61   6.170   7.083   0.788
  484    HB3  ARG  61           HB3      ARG  61   4.778   8.179   0.959
  485    HG2  ARG  61           HG2      ARG  61   5.808   9.185   2.964
  486    HG3  ARG  61           HG3      ARG  61   7.178   8.060   2.841
  487    HD2  ARG  61           HD2      ARG  61   7.771   8.984   0.654
  488    HD3  ARG  61           HD3      ARG  61   6.366  10.072   0.709
  489    HE   ARG  61           HE       ARG  61   7.389  11.157   2.694
  490   HH11  ARG  61          HH11      ARG  61   9.497   9.368   0.484
  491   HH12  ARG  61          HH12      ARG  61  10.932  10.238   0.985
  492   HH21  ARG  61          HH21      ARG  61   9.276  12.270   3.301
  493   HH22  ARG  61          HH22      ARG  61  10.803  11.866   2.549
  494    H    PHE  62           H        PHE  62   6.371   6.040   4.236
  495    HA   PHE  62           HA       PHE  62   4.651   7.323   6.344
  496    HB2  PHE  62           HB2      PHE  62   6.631   5.057   6.398
  497    HB3  PHE  62           HB3      PHE  62   6.220   5.955   7.859
  498    HD1  PHE  62           HD1      PHE  62   3.867   5.071   5.042
  499    HD2  PHE  62           HD2      PHE  62   5.052   4.405   9.131
  500    HE1  PHE  62           HE1      PHE  62   1.794   3.824   5.418
  501    HE2  PHE  62           HE2      PHE  62   3.002   3.062   9.490
  502    HZ   PHE  62           HZ       PHE  62   1.387   2.760   7.681
  503    H    HIS  63           H        HIS  63   5.463   8.757   7.741
  504    HA   HIS  63           HA       HIS  63   7.820  10.315   6.903
  505    HB2  HIS  63           HB2      HIS  63   6.813  11.914   8.599
  506    HB3  HIS  63           HB3      HIS  63   5.752  11.493   7.241
  507    HD2  HIS  63           HD2      HIS  63   3.400  11.772   8.515
  508    HE1  HIS  63           HE1      HIS  63   4.029   8.778  11.478
  509    HE2  HIS  63           HE2      HIS  63   2.313  10.363  10.421
  510    H    ASP  64           H        ASP  64   7.221   7.722   8.972
  511    HA   ASP  64           HA       ASP  64   9.551   8.377  10.662
  512    HB2  ASP  64           HB2      ASP  64   7.469   9.179  11.833
  513    HB3  ASP  64           HB3      ASP  64   6.878   7.516  11.825
  514    H    LYS  65           H        LYS  65  10.859   6.676  10.472
  515    HA   LYS  65           HA       LYS  65  10.186   4.254   9.224
  516    HB2  LYS  65           HB2      LYS  65  12.394   3.537   9.861
  517    HB3  LYS  65           HB3      LYS  65  12.447   5.261   9.461
  518    HG2  LYS  65           HG2      LYS  65  12.058   5.600  12.052
  519    HG3  LYS  65           HG3      LYS  65  12.604   3.911  12.165
  520    HD2  LYS  65           HD2      LYS  65  14.110   6.278  10.975
  521    HD3  LYS  65           HD3      LYS  65  14.500   5.417  12.478
  522    HE2  LYS  65           HE2      LYS  65  14.926   3.357  11.180
  523    HE3  LYS  65           HE3      LYS  65  14.534   4.222   9.682
  524    HZ1  LYS  65           HZ1      LYS  65  16.366   5.673  10.077
  525    HZ2  LYS  65           HZ2      LYS  65  16.718   4.955  11.515
  526    HZ3  LYS  65           HZ3      LYS  65  16.905   4.118  10.112
  527    H    ARG  66           H        ARG  66   9.782   5.163  12.627
  528    HA   ARG  66           HA       ARG  66   9.831   2.462  13.652
  529    HB2  ARG  66           HB2      ARG  66   8.542   5.000  14.729
  530    HB3  ARG  66           HB3      ARG  66   8.757   3.504  15.650
  531    HG2  ARG  66           HG2      ARG  66  11.019   5.162  14.446
  532    HG3  ARG  66           HG3      ARG  66  10.516   5.204  16.144
  533    HD2  ARG  66           HD2      ARG  66  11.566   2.747  14.667
  534    HD3  ARG  66           HD3      ARG  66  12.495   3.759  15.780
  535    HE   ARG  66           HE       ARG  66  10.671   3.123  17.496
  536   HH11  ARG  66          HH11      ARG  66  11.751   0.946  14.905
  537   HH12  ARG  66          HH12      ARG  66  11.373  -0.492  15.819
  538   HH21  ARG  66          HH21      ARG  66  10.202   1.232  18.635
  539   HH22  ARG  66          HH22      ARG  66  10.496  -0.334  17.915
  540    H    ASP  67           H        ASP  67   7.163   4.695  12.732
  541    HA   ASP  67           HA       ASP  67   5.089   2.762  13.255
  542    HB2  ASP  67           HB2      ASP  67   5.150   5.189  11.411
  543    HB3  ASP  67           HB3      ASP  67   3.698   4.289  11.873
  544    H    ALA  68           H        ALA  68   7.287   3.407  10.554
  545    HA   ALA  68           HA       ALA  68   5.784   1.857   8.636
  546    HB1  ALA  68           HB1      ALA  68   7.304   3.685   7.990
  547    HB2  ALA  68           HB2      ALA  68   8.674   2.832   8.741
  548    HB3  ALA  68           HB3      ALA  68   7.880   2.133   7.314
  549    H    GLU  69           H        GLU  69   8.437   1.204  10.954
  550    HA   GLU  69           HA       GLU  69   9.302  -1.285   9.903
  551    HB2  GLU  69           HB2      GLU  69   9.349   0.096  12.580
  552    HB3  GLU  69           HB3      GLU  69   9.714  -1.631  12.505
  553    HG2  GLU  69           HG2      GLU  69  11.457  -1.171  10.781
  554    HG3  GLU  69           HG3      GLU  69  11.119   0.551  10.875
  555    H    ASP  70           H        ASP  70   6.792  -0.550  12.428
  556    HA   ASP  70           HA       ASP  70   6.295  -3.366  12.813
  557    HB2  ASP  70           HB2      ASP  70   4.503  -1.014  13.513
  558    HB3  ASP  70           HB3      ASP  70   4.441  -2.659  14.177
  559    H    ALA  71           H        ALA  71   4.637  -0.790  10.931
  560    HA   ALA  71           HA       ALA  71   2.440  -2.357  10.085
  561    HB1  ALA  71           HB1      ALA  71   3.854  -0.103   8.591
  562    HB2  ALA  71           HB2      ALA  71   2.174  -0.654   8.354
  563    HB3  ALA  71           HB3      ALA  71   2.649   0.133   9.870
  564    H    MET  72           H        MET  72   5.666  -1.814   8.563
  565    HA   MET  72           HA       MET  72   5.180  -3.434   6.267
  566    HB2  MET  72           HB2      MET  72   6.970  -1.820   6.326
  567    HB3  MET  72           HB3      MET  72   7.657  -2.536   7.796
  568    HG2  MET  72           HG2      MET  72   8.449  -4.443   6.666
  569    HG3  MET  72           HG3      MET  72   7.458  -4.123   5.235
  570    HE1  MET  72           HE1      MET  72  10.901  -1.250   6.420
  571    HE2  MET  72           HE2      MET  72   9.207  -1.036   6.910
  572    HE3  MET  72           HE3      MET  72  10.142  -2.416   7.538
  573    H    ASP  73           H        ASP  73   6.558  -4.179   9.495
  574    HA   ASP  73           HA       ASP  73   7.187  -6.901   8.840
  575    HB2  ASP  73           HB2      ASP  73   8.241  -5.601  10.681
  576    HB3  ASP  73           HB3      ASP  73   6.693  -5.592  11.542
  577    H    ALA  74           H        ALA  74   4.217  -5.352   9.185
  578    HA   ALA  74           HA       ALA  74   2.853  -7.912   9.851
  579    HB1  ALA  74           HB1      ALA  74   2.101  -5.072  10.631
  580    HB2  ALA  74           HB2      ALA  74   1.141  -6.533  10.988
  581    HB3  ALA  74           HB3      ALA  74   2.740  -6.313  11.725
  582    H    MET  75           H        MET  75   3.514  -6.002   7.272
  583    HA   MET  75           HA       MET  75   0.830  -6.504   6.075
  584    HB2  MET  75           HB2      MET  75   2.436  -3.941   6.024
  585    HB3  MET  75           HB3      MET  75   1.239  -4.303   4.798
  586    HG2  MET  75           HG2      MET  75   0.689  -4.204   7.787
  587    HG3  MET  75           HG3      MET  75   0.275  -2.947   6.616
  588    HE1  MET  75           HE1      MET  75  -0.508  -5.203   4.182
  589    HE2  MET  75           HE2      MET  75  -2.264  -4.920   4.298
  590    HE3  MET  75           HE3      MET  75  -1.117  -3.555   4.420
  591    H    ASP  76           H        ASP  76   4.350  -6.582   5.694
  592    HA   ASP  76           HA       ASP  76   4.332  -6.701   2.846
  593    HB2  ASP  76           HB2      ASP  76   6.352  -6.313   4.229
  594    HB3  ASP  76           HB3      ASP  76   6.279  -7.987   4.806
  595    H    GLY  77           H        GLY  77   3.258  -8.145   1.650
  596    HA2  GLY  77           HA2      GLY  77   2.550 -10.129   0.811
  597    HA3  GLY  77           HA3      GLY  77   3.578 -10.991   1.990
  598    H    ALA  78           H        ALA  78   1.150  -8.611   2.953
  599    HA   ALA  78           HA       ALA  78  -0.128 -10.660   4.617
  600    HB1  ALA  78           HB1      ALA  78  -0.518  -7.654   4.412
  601    HB2  ALA  78           HB2      ALA  78  -1.271  -8.711   5.636
  602    HB3  ALA  78           HB3      ALA  78   0.494  -8.518   5.602
  603    H    VAL  79           H        VAL  79  -0.562  -9.817   1.495
  604    HA   VAL  79           HA       VAL  79  -2.374  -9.624   0.064
  605    HB   VAL  79           HB       VAL  79  -1.797 -11.882  -0.069
  606   HG11  VAL  79          HG11      VAL  79  -1.633 -12.482   2.264
  607   HG12  VAL  79          HG12      VAL  79  -3.404 -12.400   2.464
  608   HG13  VAL  79          HG13      VAL  79  -2.670 -13.639   1.413
  609   HG21  VAL  79          HG21      VAL  79  -3.712 -12.968  -0.738
  610   HG22  VAL  79          HG22      VAL  79  -4.775 -11.918   0.224
  611   HG23  VAL  79          HG23      VAL  79  -3.826 -11.235  -1.135
  612    H    LEU  80           H        LEU  80  -3.248  -7.712   1.258
  613    HA   LEU  80           HA       LEU  80  -5.614  -8.115   2.840
  614    HB2  LEU  80           HB2      LEU  80  -5.937  -5.697   2.639
  615    HB3  LEU  80           HB3      LEU  80  -4.292  -6.128   3.107
  616    HG   LEU  80           HG       LEU  80  -3.581  -5.796   0.723
  617   HD11  LEU  80          HD11      LEU  80  -5.037  -4.284  -0.663
  618   HD12  LEU  80          HD12      LEU  80  -5.667  -5.929  -0.524
  619   HD13  LEU  80          HD13      LEU  80  -6.379  -4.622   0.460
  620   HD21  LEU  80          HD21      LEU  80  -4.861  -3.431   2.146
  621   HD22  LEU  80          HD22      LEU  80  -3.227  -4.099   2.436
  622   HD23  LEU  80          HD23      LEU  80  -3.610  -3.326   0.887
  623    H    ASP  81           H        ASP  81  -5.150  -8.657  -0.481
  624    HA   ASP  81           HA       ASP  81  -8.094  -8.484  -0.788
  625    HB2  ASP  81           HB2      ASP  81  -7.148  -6.583  -2.009
  626    HB3  ASP  81           HB3      ASP  81  -6.042  -7.657  -2.872
  627    H    GLY  82           H        GLY  82  -5.111  -9.824  -2.390
  628    HA2  GLY  82           HA2      GLY  82  -5.442 -12.449  -1.961
  629    HA3  GLY  82           HA3      GLY  82  -6.672 -12.194  -3.232
  630    H    ARG  83           H        ARG  83  -3.585 -10.502  -2.916
  631    HA   ARG  83           HA       ARG  83  -2.452 -12.025  -5.211
  632    HB2  ARG  83           HB2      ARG  83  -1.803  -9.852  -6.231
  633    HB3  ARG  83           HB3      ARG  83  -3.567 -10.106  -6.220
  634    HG2  ARG  83           HG2      ARG  83  -3.880  -8.658  -4.330
  635    HG3  ARG  83           HG3      ARG  83  -2.165  -8.618  -3.963
  636    HD2  ARG  83           HD2      ARG  83  -3.671  -7.203  -6.142
  637    HD3  ARG  83           HD3      ARG  83  -2.552  -6.572  -4.904
  638    HE   ARG  83           HE       ARG  83  -0.714  -7.169  -6.215
  639   HH11  ARG  83          HH11      ARG  83  -3.706  -8.237  -7.786
  640   HH12  ARG  83          HH12      ARG  83  -2.923  -8.486  -9.333
  641   HH21  ARG  83          HH21      ARG  83   0.253  -7.498  -8.219
  642   HH22  ARG  83          HH22      ARG  83  -0.683  -8.090  -9.568
  643    H    GLU  84           H        GLU  84  -2.015 -10.073  -2.348
  644    HA   GLU  84           HA       GLU  84  -0.479 -10.585  -0.737
  645    HB2  GLU  84           HB2      GLU  84   0.531 -12.338  -2.649
  646    HB3  GLU  84           HB3      GLU  84   1.895 -11.254  -2.280
  647    HG2  GLU  84           HG2      GLU  84   1.293 -11.650   0.184
  648    HG3  GLU  84           HG3      GLU  84   0.183 -12.896  -0.373
  649    H    LEU  85           H        LEU  85  -0.654  -8.484  -0.295
  650    HA   LEU  85           HA       LEU  85   0.366  -6.245  -1.526
  651    HB2  LEU  85           HB2      LEU  85  -1.060  -6.820   0.650
  652    HB3  LEU  85           HB3      LEU  85   0.464  -6.590   1.483
  653    HG   LEU  85           HG       LEU  85  -1.003  -4.635   1.525
  654   HD11  LEU  85          HD11      LEU  85   0.552  -2.944   1.040
  655   HD12  LEU  85          HD12      LEU  85   1.521  -4.361   1.505
  656   HD13  LEU  85          HD13      LEU  85   1.356  -3.899  -0.217
  657   HD21  LEU  85          HD21      LEU  85  -1.492  -3.313  -0.446
  658   HD22  LEU  85          HD22      LEU  85  -0.573  -4.426  -1.472
  659   HD23  LEU  85          HD23      LEU  85  -2.082  -4.969  -0.696
  660    H    ARG  86           H        ARG  86   2.284  -4.921  -1.105
  661    HA   ARG  86           HA       ARG  86   4.664  -6.455  -0.140
  662    HB2  ARG  86           HB2      ARG  86   4.426  -4.673  -2.595
  663    HB3  ARG  86           HB3      ARG  86   5.943  -5.343  -1.975
  664    HG2  ARG  86           HG2      ARG  86   3.575  -6.983  -2.971
  665    HG3  ARG  86           HG3      ARG  86   5.044  -6.618  -3.896
  666    HD2  ARG  86           HD2      ARG  86   6.421  -7.740  -2.171
  667    HD3  ARG  86           HD3      ARG  86   4.972  -8.102  -1.231
  668    HE   ARG  86           HE       ARG  86   5.384  -9.152  -4.008
  669   HH11  ARG  86          HH11      ARG  86   4.536  -9.656  -0.617
  670   HH12  ARG  86          HH12      ARG  86   4.171 -11.359  -0.841
  671   HH21  ARG  86          HH21      ARG  86   4.881 -11.376  -4.266
  672   HH22  ARG  86          HH22      ARG  86   4.343 -12.303  -2.879
  673    H    VAL  87           H        VAL  87   6.049  -5.319   1.146
  674    HA   VAL  87           HA       VAL  87   5.685  -2.376   1.307
  675    HB   VAL  87           HB       VAL  87   5.768  -4.180   3.750
  676   HG11  VAL  87          HG11      VAL  87   6.577  -1.972   4.162
  677   HG12  VAL  87          HG12      VAL  87   5.242  -1.226   3.268
  678   HG13  VAL  87          HG13      VAL  87   4.923  -2.033   4.819
  679   HG21  VAL  87          HG21      VAL  87   3.360  -3.619   4.060
  680   HG22  VAL  87          HG22      VAL  87   3.325  -3.001   2.393
  681   HG23  VAL  87          HG23      VAL  87   3.672  -4.710   2.700
  682    H    GLN  88           H        GLN  88   7.476  -1.262   1.688
  683    HA   GLN  88           HA       GLN  88   9.924  -2.341   2.781
  684    HB2  GLN  88           HB2      GLN  88  11.195  -2.094   0.609
  685    HB3  GLN  88           HB3      GLN  88  10.135  -3.515   0.700
  686    HG2  GLN  88           HG2      GLN  88   8.438  -2.426  -0.649
  687    HG3  GLN  88           HG3      GLN  88   9.351  -0.911  -0.658
  688   HE21  GLN  88          HE22      GLN  88   8.450  -2.554  -2.943
  689   HE22  GLN  88          HE21      GLN  88   9.910  -2.983  -3.817
  690    H    MET  89           H        MET  89  11.495  -0.743   3.074
  691    HA   MET  89           HA       MET  89  10.711   1.921   3.370
  692    HB2  MET  89           HB2      MET  89  13.406   0.595   2.977
  693    HB3  MET  89           HB3      MET  89  13.236   2.322   3.370
  694    HG2  MET  89           HG2      MET  89  11.826   0.183   4.990
  695    HG3  MET  89           HG3      MET  89  13.490   0.629   5.334
  696    HE1  MET  89           HE1      MET  89  12.033   0.835   7.739
  697    HE2  MET  89           HE2      MET  89  10.930   2.198   8.058
  698    HE3  MET  89           HE3      MET  89  10.436   0.898   6.944
  699    H    ALA  90           H        ALA  90  10.711   3.711   2.105
  700    HA   ALA  90           HA       ALA  90  10.749   3.401  -0.785
  701    HB1  ALA  90           HB1      ALA  90  10.435   5.826   1.029
  702    HB2  ALA  90           HB2      ALA  90  10.160   5.799  -0.734
  703    HB3  ALA  90           HB3      ALA  90   9.118   4.852   0.339
  704    H    ARG  91           H        ARG  91  13.202   4.016   1.545
  705    HA   ARG  91           HA       ARG  91  15.318   4.820   1.419
  706    HB2  ARG  91           HB2      ARG  91  15.369   2.916  -0.154
  707    HB3  ARG  91           HB3      ARG  91  15.030   4.017  -1.500
  708    HG2  ARG  91           HG2      ARG  91  17.326   4.961   0.048
  709    HG3  ARG  91           HG3      ARG  91  17.556   3.279  -0.473
  710    HD2  ARG  91           HD2      ARG  91  17.044   3.866  -2.783
  711    HD3  ARG  91           HD3      ARG  91  16.701   5.538  -2.331
  712    HE   ARG  91           HE       ARG  91  19.330   4.276  -2.630
  713   HH11  ARG  91          HH11      ARG  91  17.528   7.001  -1.281
  714   HH12  ARG  91          HH12      ARG  91  18.931   8.047  -1.213
  715   HH21  ARG  91          HH21      ARG  91  21.143   5.659  -2.513
  716   HH22  ARG  91          HH22      ARG  91  20.972   7.283  -1.895
  717    H    TYR  92           H        TYR  92  13.117   6.753   0.991
  718    HA   TYR  92           HA       TYR  92  14.634   8.861  -0.460
  719    HB2  TYR  92           HB2      TYR  92  11.638   8.377  -0.456
  720    HB3  TYR  92           HB3      TYR  92  12.451   9.756  -1.197
  721    HD1  TYR  92           HD1      TYR  92  14.807   8.390  -2.474
  722    HD2  TYR  92           HD2      TYR  92  10.648   7.318  -2.298
  723    HE1  TYR  92           HE1      TYR  92  15.052   7.124  -4.597
  724    HE2  TYR  92           HE2      TYR  92  10.899   5.995  -4.389
  725    HH   TYR  92           HH       TYR  92  14.005   5.806  -6.157
  726    H    GLY  93           H        GLY  93  14.744   8.209   2.364
  727    HA2  GLY  93           HA2      GLY  93  14.180  10.885   3.370
  728    HA3  GLY  93           HA3      GLY  93  13.199   9.622   4.121
  729    H    ARG  94           H        ARG  94  14.683  10.886   5.839
  730    HA   ARG  94           HA       ARG  94  16.938   9.087   6.532
  731    HB2  ARG  94           HB2      ARG  94  16.985  12.103   6.146
  732    HB3  ARG  94           HB3      ARG  94  18.142  11.312   7.211
  733    HG2  ARG  94           HG2      ARG  94  17.794  10.494   4.297
  734    HG3  ARG  94           HG3      ARG  94  18.919  11.755   4.825
  735    HD2  ARG  94           HD2      ARG  94  18.957   8.907   5.893
  736    HD3  ARG  94           HD3      ARG  94  19.981   9.501   4.575
  737    HE   ARG  94           HE       ARG  94  20.277  11.261   6.786
  738   HH11  ARG  94          HH11      ARG  94  21.113   7.948   5.877
  739   HH12  ARG  94          HH12      ARG  94  22.562   7.927   6.859
  740   HH21  ARG  94          HH21      ARG  94  22.114  11.195   8.078
  741   HH22  ARG  94          HH22      ARG  94  23.110   9.760   8.135
  742    HA   PRO  95           HA       PRO  95  15.253   9.612  10.604
  743    HB2  PRO  95           HB2      PRO  95  17.449   9.238  12.189
  744    HB3  PRO  95           HB3      PRO  95  16.736   7.921  11.205
  745    HG2  PRO  95           HG2      PRO  95  19.087   9.702  10.503
  746    HG3  PRO  95           HG3      PRO  95  18.998   7.909  10.429
  747    HD2  PRO  95           HD2      PRO  95  18.588   9.466   8.235
  748    HD3  PRO  95           HD3      PRO  95  17.628   7.975   8.504
  749    HA   PRO  96           HA       PRO  96  15.628  13.713  12.160
  750    HB2  PRO  96           HB2      PRO  96  16.471  12.546  14.805
  751    HB3  PRO  96           HB3      PRO  96  15.227  13.796  14.477
  752    HG2  PRO  96           HG2      PRO  96  14.470  11.245  14.961
  753    HG3  PRO  96           HG3      PRO  96  13.718  12.161  13.611
  754    HD2  PRO  96           HD2      PRO  96  15.937  10.111  13.488
  755    HD3  PRO  96           HD3      PRO  96  14.500  10.285  12.437
  756    H    ASP  97           H        ASP  97  18.383  11.587  12.417
  757    HA   ASP  97           HA       ASP  97  20.282  13.479  13.433
  758    HB2  ASP  97           HB2      ASP  97  20.644  10.975  11.755
  759    HB3  ASP  97           HB3      ASP  97  21.938  11.832  12.610
  760    H    SER  98           H        SER  98  18.644  13.396  10.454
  761    HA   SER  98           HA       SER  98  20.592  15.312   9.317
  762    HB2  SER  98           HB2      SER  98  19.487  12.926   7.778
  763    HB3  SER  98           HB3      SER  98  20.529  14.212   7.128
  764    HG   SER  98           HG       SER  98  22.123  13.541   8.652
  765    H    HIS  99           H        HIS  99  17.534  14.804  10.316
  766    HA   HIS  99           HA       HIS  99  15.956  15.724   8.103
  767    HB2  HIS  99           HB2      HIS  99  15.095  14.448  10.037
  768    HB3  HIS  99           HB3      HIS  99  15.464  15.806  11.106
  769    HD2  HIS  99           HD2      HIS  99  13.536  17.488  11.491
  770    HE1  HIS  99           HE1      HIS  99  11.058  16.527   8.172
  771    HE2  HIS  99           HE2      HIS  99  11.258  17.940  10.284
  772    H    HIS 100           H        HIS 100  18.205  17.344  10.113
  773    HA   HIS 100           HA       HIS 100  17.438  19.947   9.014
  774    HB2  HIS 100           HB2      HIS 100  17.307  21.008  11.249
  775    HB3  HIS 100           HB3      HIS 100  16.025  19.819  11.009
  776    HD2  HIS 100           HD2      HIS 100  19.283  20.369  13.003
  777    HE1  HIS 100           HE1      HIS 100  17.343  17.004  14.727
  778    HE2  HIS 100           HE2      HIS 100  19.286  18.631  14.961
  779    H    SER 101           H        SER 101  19.039  21.646   9.955
  780    HA   SER 101           HA       SER 101  21.705  20.532  10.580
  781    HB2  SER 101           HB2      SER 101  21.100  22.284   8.161
  782    HB3  SER 101           HB3      SER 101  22.721  21.839   8.748
  783    HG   SER 101           HG       SER 101  21.988  20.464   7.058
  Start of MODEL   17
    1    H    MET   1           H1       MET   1   4.538 -16.664   1.482
    2    HA   MET   1           HA       MET   1   5.016 -14.544  -0.482
    3    HB2  MET   1           HB2      MET   1   5.861 -13.210   1.340
    4    HB3  MET   1           HB3      MET   1   4.197 -13.710   1.696
    5    HG2  MET   1           HG2      MET   1   5.106 -15.566   3.106
    6    HG3  MET   1           HG3      MET   1   6.738 -14.953   2.817
    7    HE1  MET   1           HE1      MET   1   6.656 -11.479   4.666
    8    HE2  MET   1           HE2      MET   1   7.637 -12.616   3.713
    9    HE3  MET   1           HE3      MET   1   6.276 -11.747   2.956
   10    H    SER   2           H        SER   2   7.320 -13.840  -0.520
   11    HA   SER   2           HA       SER   2   9.326 -15.834   0.259
   12    HB2  SER   2           HB2      SER   2  10.167 -15.988  -2.106
   13    HB3  SER   2           HB3      SER   2   8.598 -16.790  -1.854
   14    HG   SER   2           HG       SER   2   8.632 -15.460  -3.727
   15    H    TYR   3           H        TYR   3  11.516 -15.112  -0.748
   16    HA   TYR   3           HA       TYR   3  11.742 -12.221  -1.209
   17    HB2  TYR   3           HB2      TYR   3  13.393 -11.929   0.564
   18    HB3  TYR   3           HB3      TYR   3  11.849 -12.440   1.245
   19    HD1  TYR   3           HD2      TYR   3  11.573 -14.794   2.075
   20    HD2  TYR   3           HD1      TYR   3  15.375 -13.249   0.778
   21    HE1  TYR   3           HE2      TYR   3  12.723 -16.670   3.217
   22    HE2  TYR   3           HE1      TYR   3  16.531 -15.115   1.929
   23    HH   TYR   3           HH       TYR   3  16.294 -17.018   3.175
   24    H    GLY   4           H        GLY   4  14.012 -11.689  -1.766
   25    HA2  GLY   4           HA2      GLY   4  15.505 -13.998  -2.976
   26    HA3  GLY   4           HA3      GLY   4  15.195 -12.478  -3.857
   27    H    ARG   5           H        ARG   5  15.560 -11.081  -1.161
   28    HA   ARG   5           HA       ARG   5  18.518 -11.212  -0.868
   29    HB2  ARG   5           HB2      ARG   5  16.833  -8.799  -1.620
   30    HB3  ARG   5           HB3      ARG   5  18.485  -8.670  -0.986
   31    HG2  ARG   5           HG2      ARG   5  19.318 -10.053  -2.871
   32    HG3  ARG   5           HG3      ARG   5  17.658 -10.164  -3.519
   33    HD2  ARG   5           HD2      ARG   5  17.546  -7.726  -3.679
   34    HD3  ARG   5           HD3      ARG   5  19.193  -7.592  -3.030
   35    HE   ARG   5           HE       ARG   5  19.254  -9.301  -5.308
   36   HH11  ARG   5          HH11      ARG   5  18.733  -5.907  -4.512
   37   HH12  ARG   5          HH12      ARG   5  19.306  -5.324  -6.058
   38   HH21  ARG   5          HH21      ARG   5  20.010  -8.535  -7.312
   39   HH22  ARG   5          HH22      ARG   5  20.028  -6.818  -7.643
   40    HA   PRO   6           HA       PRO   6  17.442 -10.604   3.384
   41    HB2  PRO   6           HB2      PRO   6  19.709  -9.465   4.407
   42    HB3  PRO   6           HB3      PRO   6  19.669 -11.147   3.789
   43    HG2  PRO   6           HG2      PRO   6  20.568  -8.640   2.317
   44    HG3  PRO   6           HG3      PRO   6  21.442 -10.196   2.476
   45    HD2  PRO   6           HD2      PRO   6  19.927  -9.596   0.295
   46    HD3  PRO   6           HD3      PRO   6  19.989 -11.263   0.946
   47    HA   PRO   7           HA       PRO   7  15.839  -6.568   4.269
   48    HB2  PRO   7           HB2      PRO   7  17.434  -6.654   6.817
   49    HB3  PRO   7           HB3      PRO   7  15.699  -6.255   6.588
   50    HG2  PRO   7           HG2      PRO   7  16.402  -8.694   7.524
   51    HG3  PRO   7           HG3      PRO   7  15.134  -8.544   6.259
   52    HD2  PRO   7           HD2      PRO   7  18.043  -9.282   5.908
   53    HD3  PRO   7           HD3      PRO   7  16.583 -10.011   5.162
   54    HA   PRO   8           HA       PRO   8  19.079  -3.562   3.503
   55    HB2  PRO   8           HB2      PRO   8  17.793  -1.236   3.876
   56    HB3  PRO   8           HB3      PRO   8  17.154  -2.432   2.709
   57    HG2  PRO   8           HG2      PRO   8  16.282  -2.016   5.585
   58    HG3  PRO   8           HG3      PRO   8  15.250  -2.076   4.120
   59    HD2  PRO   8           HD2      PRO   8  15.807  -4.222   5.766
   60    HD3  PRO   8           HD3      PRO   8  15.406  -4.404   4.013
   61    H    ASP   9           H        ASP   9  19.058  -1.079   5.043
   62    HA   ASP   9           HA       ASP   9  19.956  -1.956   7.747
   63    HB2  ASP   9           HB2      ASP   9  21.652  -0.397   5.767
   64    HB3  ASP   9           HB3      ASP   9  22.066  -0.662   7.457
   65    H    VAL  10           H        VAL  10  18.502   0.403   5.686
   66    HA   VAL  10           HA       VAL  10  17.787   2.514   5.927
   67    HB   VAL  10           HB       VAL  10  16.190   2.781   7.739
   68   HG11  VAL  10          HG11      VAL  10  16.278  -0.044   6.607
   69   HG12  VAL  10          HG12      VAL  10  14.846   0.800   7.222
   70   HG13  VAL  10          HG13      VAL  10  15.679   1.398   5.762
   71   HG21  VAL  10          HG21      VAL  10  15.906   1.095   9.475
   72   HG22  VAL  10          HG22      VAL  10  17.277   0.159   8.859
   73   HG23  VAL  10          HG23      VAL  10  17.556   1.755   9.588
   74    H    GLU  11           H        GLU  11  20.582   2.271   6.774
   75    HA   GLU  11           HA       GLU  11  20.985   3.820   9.156
   76    HB2  GLU  11           HB2      GLU  11  23.351   3.718   8.494
   77    HB3  GLU  11           HB3      GLU  11  22.571   2.136   8.329
   78    HG2  GLU  11           HG2      GLU  11  22.320   2.493   5.898
   79    HG3  GLU  11           HG3      GLU  11  23.046   4.099   6.046
   80    H    GLY  12           H        GLY  12  19.672   4.920   6.350
   81    HA2  GLY  12           HA2      GLY  12  20.470   7.670   6.894
   82    HA3  GLY  12           HA3      GLY  12  21.099   7.037   5.364
   83    H    MET  13           H        MET  13  18.029   5.745   6.445
   84    HA   MET  13           HA       MET  13  16.506   7.648   4.756
   85    HB2  MET  13           HB2      MET  13  16.358   4.625   4.418
   86    HB3  MET  13           HB3      MET  13  15.425   5.846   3.553
   87    HG2  MET  13           HG2      MET  13  17.074   5.330   2.012
   88    HG3  MET  13           HG3      MET  13  17.694   6.793   2.766
   89    HE1  MET  13           HE1      MET  13  19.256   2.462   3.346
   90    HE2  MET  13           HE2      MET  13  17.616   2.963   3.827
   91    HE3  MET  13           HE3      MET  13  18.089   2.984   2.112
   92    H    THR  14           H        THR  14  14.107   7.248   5.009
   93    HA   THR  14           HA       THR  14  13.407   5.982   7.597
   94    HB   THR  14           HB       THR  14  12.881   8.909   6.939
   95   HG21  THR  14          HG21      THR  14  12.240   7.286   9.439
   96   HG22  THR  14          HG22      THR  14  11.974   9.033   9.232
   97   HG23  THR  14          HG23      THR  14  11.046   7.874   8.256
   98    H    SER  15           H        SER  15  12.423   7.407   4.483
   99    HA   SER  15           HA       SER  15   9.591   7.127   4.821
  100    HB2  SER  15           HB2      SER  15  11.333   7.162   2.334
  101    HB3  SER  15           HB3      SER  15   9.566   7.383   2.368
  102    HG   SER  15           HG       SER  15  10.694   9.384   2.373
  103    H    LEU  16           H        LEU  16   8.193   5.582   4.480
  104    HA   LEU  16           HA       LEU  16   9.156   2.885   3.638
  105    HB2  LEU  16           HB2      LEU  16   7.717   3.219   5.700
  106    HB3  LEU  16           HB3      LEU  16   6.425   3.793   4.627
  107    HG   LEU  16           HG       LEU  16   6.484   1.574   3.439
  108   HD11  LEU  16          HD11      LEU  16   8.803   0.922   4.074
  109   HD12  LEU  16          HD12      LEU  16   8.281   0.760   5.767
  110   HD13  LEU  16          HD13      LEU  16   7.608  -0.307   4.523
  111   HD21  LEU  16          HD21      LEU  16   5.327   0.350   5.220
  112   HD22  LEU  16          HD22      LEU  16   5.944   1.502   6.424
  113   HD23  LEU  16          HD23      LEU  16   4.819   2.050   5.154
  114    H    LYS  17           H        LYS  17   7.885   1.779   2.002
  115    HA   LYS  17           HA       LYS  17   6.213   3.346   0.121
  116    HB2  LYS  17           HB2      LYS  17   8.197   3.551  -1.038
  117    HB3  LYS  17           HB3      LYS  17   8.836   2.014  -0.407
  118    HG2  LYS  17           HG2      LYS  17   8.458   1.783  -2.743
  119    HG3  LYS  17           HG3      LYS  17   7.282   0.777  -1.885
  120    HD2  LYS  17           HD2      LYS  17   5.594   2.629  -2.192
  121    HD3  LYS  17           HD3      LYS  17   6.798   3.494  -3.176
  122    HE2  LYS  17           HE2      LYS  17   5.720   0.715  -3.759
  123    HE3  LYS  17           HE3      LYS  17   5.214   2.211  -4.569
  124    HZ1  LYS  17           HZ1      LYS  17   6.868   1.039  -5.848
  125    HZ2  LYS  17           HZ2      LYS  17   7.461   2.486  -5.346
  126    HZ3  LYS  17           HZ3      LYS  17   7.938   1.096  -4.604
  127    H    VAL  18           H        VAL  18   4.491   2.136  -0.531
  128    HA   VAL  18           HA       VAL  18   4.583  -0.836  -0.102
  129    HB   VAL  18           HB       VAL  18   2.502   1.220   0.580
  130   HG11  VAL  18          HG11      VAL  18   2.023  -1.760   0.111
  131   HG12  VAL  18          HG12      VAL  18   0.869  -0.649   0.899
  132   HG13  VAL  18          HG13      VAL  18   1.300  -0.431  -0.801
  133   HG21  VAL  18          HG21      VAL  18   4.137   0.463   2.285
  134   HG22  VAL  18          HG22      VAL  18   2.470  -0.005   2.714
  135   HG23  VAL  18          HG23      VAL  18   3.603  -1.208   2.031
  136    H    ASP  19           H        ASP  19   3.650  -2.065  -1.596
  137    HA   ASP  19           HA       ASP  19   2.747  -0.961  -4.193
  138    HB2  ASP  19           HB2      ASP  19   4.928  -1.010  -4.804
  139    HB3  ASP  19           HB3      ASP  19   5.393  -2.038  -3.456
  140    H    ASN  20           H        ASN  20   2.385  -2.843  -5.712
  141    HA   ASN  20           HA       ASN  20   1.250  -4.646  -6.351
  142    HB2  ASN  20           HB2      ASN  20   2.661  -5.848  -4.604
  143    HB3  ASN  20           HB3      ASN  20   1.202  -5.828  -3.602
  144   HD21  ASN  20          HD22      ASN  20   1.089  -8.169  -3.781
  145   HD22  ASN  20          HD21      ASN  20   0.490  -8.922  -5.247
  146    H    LEU  21           H        LEU  21  -0.694  -4.116  -6.993
  147    HA   LEU  21           HA       LEU  21  -2.918  -3.900  -5.017
  148    HB2  LEU  21           HB2      LEU  21  -2.637  -2.180  -7.499
  149    HB3  LEU  21           HB3      LEU  21  -3.834  -2.015  -6.211
  150    HG   LEU  21           HG       LEU  21  -0.846  -1.491  -5.931
  151   HD11  LEU  21          HD11      LEU  21  -1.566   0.871  -5.883
  152   HD12  LEU  21          HD12      LEU  21  -2.074   0.106  -7.402
  153   HD13  LEU  21          HD13      LEU  21  -3.257   0.375  -6.100
  154   HD21  LEU  21          HD21      LEU  21  -2.209  -2.242  -3.844
  155   HD22  LEU  21          HD22      LEU  21  -1.230  -0.768  -3.760
  156   HD23  LEU  21          HD23      LEU  21  -2.998  -0.649  -3.989
  157    H    THR  22           H        THR  22  -5.060  -4.083  -6.168
  158    HA   THR  22           HA       THR  22  -4.843  -5.984  -8.452
  159    HB   THR  22           HB       THR  22  -5.664  -6.876  -6.257
  160   HG21  THR  22          HG21      THR  22  -6.992  -4.886  -5.549
  161   HG22  THR  22          HG22      THR  22  -8.135  -5.193  -6.879
  162   HG23  THR  22          HG23      THR  22  -7.959  -6.373  -5.569
  163    H    TYR  23           H        TYR  23  -5.231  -2.883  -8.147
  164    HA   TYR  23           HA       TYR  23  -5.979  -1.332  -9.623
  165    HB2  TYR  23           HB2      TYR  23  -6.591  -2.024 -11.589
  166    HB3  TYR  23           HB3      TYR  23  -6.797  -3.656 -10.986
  167    HD1  TYR  23           HD2      TYR  23  -9.186  -4.009  -9.686
  168    HD2  TYR  23           HD1      TYR  23  -8.338  -1.016 -12.653
  169    HE1  TYR  23           HE2      TYR  23 -11.602  -3.851 -10.214
  170    HE2  TYR  23           HE1      TYR  23 -10.754  -0.838 -13.180
  171    HH   TYR  23           HH       TYR  23 -12.864  -1.613 -12.721
  172    H    ARG  24           H        ARG  24  -7.638  -2.906  -7.265
  173    HA   ARG  24           HA       ARG  24  -9.600  -0.661  -7.008
  174    HB2  ARG  24           HB2      ARG  24 -10.644  -2.650  -7.999
  175    HB3  ARG  24           HB3      ARG  24 -10.111  -3.632  -6.629
  176    HG2  ARG  24           HG2      ARG  24 -11.610  -2.395  -5.125
  177    HG3  ARG  24           HG3      ARG  24 -11.976  -1.218  -6.420
  178    HD2  ARG  24           HD2      ARG  24 -12.983  -3.017  -7.758
  179    HD3  ARG  24           HD3      ARG  24 -12.596  -4.193  -6.484
  180    HE   ARG  24           HE       ARG  24 -14.103  -2.103  -5.308
  181   HH11  ARG  24          HH11      ARG  24 -14.534  -4.688  -7.690
  182   HH12  ARG  24          HH12      ARG  24 -16.248  -4.847  -7.376
  183   HH21  ARG  24          HH21      ARG  24 -16.342  -2.354  -4.909
  184   HH22  ARG  24          HH22      ARG  24 -17.266  -3.530  -5.807
  185    H    THR  25           H        THR  25  -6.962  -2.072  -5.629
  186    HA   THR  25           HA       THR  25  -7.694  -2.361  -2.887
  187    HB   THR  25           HB       THR  25  -5.086  -1.602  -4.251
  188   HG21  THR  25          HG21      THR  25  -5.665  -2.339  -1.357
  189   HG22  THR  25          HG22      THR  25  -4.044  -2.388  -2.095
  190   HG23  THR  25          HG23      THR  25  -4.929  -0.845  -1.976
  191    H    SER  26           H        SER  26  -6.677   0.464  -4.800
  192    HA   SER  26           HA       SER  26  -6.739   2.648  -4.510
  193    HB2  SER  26           HB2      SER  26  -9.061   1.896  -2.712
  194    HB3  SER  26           HB3      SER  26  -8.737   3.546  -3.282
  195    HG   SER  26           HG       SER  26 -10.189   2.393  -4.634
  196    HA   PRO  27           HA       PRO  27  -4.308   4.200  -1.189
  197    HB2  PRO  27           HB2      PRO  27  -5.111   6.842  -1.147
  198    HB3  PRO  27           HB3      PRO  27  -3.990   6.130  -2.349
  199    HG2  PRO  27           HG2      PRO  27  -6.935   6.712  -2.608
  200    HG3  PRO  27           HG3      PRO  27  -5.637   6.943  -3.831
  201    HD2  PRO  27           HD2      PRO  27  -7.341   4.822  -3.873
  202    HD3  PRO  27           HD3      PRO  27  -5.654   4.672  -4.398
  203    H    ASP  28           H        ASP  28  -7.846   4.654  -1.012
  204    HA   ASP  28           HA       ASP  28  -7.856   5.696   1.664
  205    HB2  ASP  28           HB2      ASP  28  -9.732   5.864   0.052
  206    HB3  ASP  28           HB3      ASP  28  -9.921   4.084   0.141
  207    H    THR  29           H        THR  29  -8.214   2.361   0.310
  208    HA   THR  29           HA       THR  29  -8.783   1.171   2.868
  209    HB   THR  29           HB       THR  29  -7.465  -0.139   0.467
  210   HG21  THR  29          HG21      THR  29  -8.663  -2.154   1.346
  211   HG22  THR  29          HG22      THR  29  -7.479  -1.501   2.499
  212   HG23  THR  29          HG23      THR  29  -9.209  -1.184   2.743
  213    H    LEU  30           H        LEU  30  -5.841   1.676   0.909
  214    HA   LEU  30           HA       LEU  30  -4.024   0.362   2.652
  215    HB2  LEU  30           HB2      LEU  30  -3.643   2.750   0.794
  216    HB3  LEU  30           HB3      LEU  30  -2.329   1.799   1.496
  217    HG   LEU  30           HG       LEU  30  -4.482   0.540  -0.241
  218   HD11  LEU  30          HD11      LEU  30  -1.771   1.672  -1.049
  219   HD12  LEU  30          HD12      LEU  30  -2.867   0.733  -2.099
  220   HD13  LEU  30          HD13      LEU  30  -3.365   2.326  -1.499
  221   HD21  LEU  30          HD21      LEU  30  -3.169  -0.992   1.177
  222   HD22  LEU  30          HD22      LEU  30  -2.733  -1.186  -0.542
  223   HD23  LEU  30          HD23      LEU  30  -1.658  -0.292   0.546
  224    H    ARG  31           H        ARG  31  -5.478   3.635   2.726
  225    HA   ARG  31           HA       ARG  31  -3.577   4.791   4.458
  226    HB2  ARG  31           HB2      ARG  31  -5.700   5.767   3.133
  227    HB3  ARG  31           HB3      ARG  31  -6.523   5.478   4.660
  228    HG2  ARG  31           HG2      ARG  31  -4.166   7.308   4.106
  229    HG3  ARG  31           HG3      ARG  31  -5.784   7.742   4.679
  230    HD2  ARG  31           HD2      ARG  31  -5.279   6.480   6.809
  231    HD3  ARG  31           HD3      ARG  31  -3.631   6.240   6.193
  232    HE   ARG  31           HE       ARG  31  -3.140   8.512   6.490
  233   HH11  ARG  31          HH11      ARG  31  -6.513   7.840   7.310
  234   HH12  ARG  31          HH12      ARG  31  -6.740   9.374   8.118
  235   HH21  ARG  31          HH21      ARG  31  -3.467  10.497   7.543
  236   HH22  ARG  31          HH22      ARG  31  -5.014  10.862   8.264
  237    H    ARG  32           H        ARG  32  -6.770   3.347   5.268
  238    HA   ARG  32           HA       ARG  32  -6.135   3.410   8.116
  239    HB2  ARG  32           HB2      ARG  32  -8.385   2.347   8.327
  240    HB3  ARG  32           HB3      ARG  32  -8.400   3.793   7.308
  241    HG2  ARG  32           HG2      ARG  32  -7.944   1.898   5.392
  242    HG3  ARG  32           HG3      ARG  32  -8.862   0.933   6.569
  243    HD2  ARG  32           HD2      ARG  32 -10.636   2.674   6.556
  244    HD3  ARG  32           HD3      ARG  32  -9.627   3.662   5.473
  245    HE   ARG  32           HE       ARG  32 -10.397   2.476   3.683
  246   HH11  ARG  32          HH11      ARG  32 -10.986   0.527   6.584
  247   HH12  ARG  32          HH12      ARG  32 -11.816  -0.730   5.701
  248   HH21  ARG  32          HH21      ARG  32 -11.501   0.847   2.575
  249   HH22  ARG  32          HH22      ARG  32 -12.126  -0.541   3.443
  250    H    VAL  33           H        VAL  33  -5.455   1.185   5.605
  251    HA   VAL  33           HA       VAL  33  -5.177  -1.136   7.391
  252    HB   VAL  33           HB       VAL  33  -4.558  -0.491   4.503
  253   HG11  VAL  33          HG11      VAL  33  -3.777  -3.033   5.977
  254   HG12  VAL  33          HG12      VAL  33  -3.795  -2.836   4.206
  255   HG13  VAL  33          HG13      VAL  33  -2.678  -1.878   5.182
  256   HG21  VAL  33          HG21      VAL  33  -6.189  -2.315   4.145
  257   HG22  VAL  33          HG22      VAL  33  -6.212  -2.650   5.902
  258   HG23  VAL  33          HG23      VAL  33  -6.883  -1.136   5.282
  259    H    PHE  34           H        PHE  34  -3.251   1.652   6.639
  260    HA   PHE  34           HA       PHE  34  -0.834   0.209   7.683
  261    HB2  PHE  34           HB2      PHE  34  -1.225   2.191   5.439
  262    HB3  PHE  34           HB3      PHE  34   0.294   2.167   6.313
  263    HD1  PHE  34           HD1      PHE  34   1.644   0.102   6.475
  264    HD2  PHE  34           HD2      PHE  34  -1.668   0.504   3.785
  265    HE1  PHE  34           HE1      PHE  34   2.515  -1.809   5.131
  266    HE2  PHE  34           HE2      PHE  34  -0.800  -1.367   2.416
  267    HZ   PHE  34           HZ       PHE  34   1.287  -2.557   3.115
  268    H    GLU  35           H        GLU  35  -2.673   3.299   7.667
  269    HA   GLU  35           HA       GLU  35  -0.817   4.478   9.416
  270    HB2  GLU  35           HB2      GLU  35  -2.303   6.326   9.587
  271    HB3  GLU  35           HB3      GLU  35  -2.643   5.607   8.014
  272    HG2  GLU  35           HG2      GLU  35  -4.765   6.016   8.847
  273    HG3  GLU  35           HG3      GLU  35  -4.520   4.305   9.234
  274    H    LYS  36           H        LYS  36  -3.166   2.055   9.864
  275    HA   LYS  36           HA       LYS  36  -4.138   2.534  12.456
  276    HB2  LYS  36           HB2      LYS  36  -4.713   0.157  12.444
  277    HB3  LYS  36           HB3      LYS  36  -5.036   0.885  10.851
  278    HG2  LYS  36           HG2      LYS  36  -2.748  -0.006  10.125
  279    HG3  LYS  36           HG3      LYS  36  -2.709  -0.910  11.651
  280    HD2  LYS  36           HD2      LYS  36  -4.647  -1.219   9.341
  281    HD3  LYS  36           HD3      LYS  36  -3.491  -2.412   9.977
  282    HE2  LYS  36           HE2      LYS  36  -4.821  -2.324  12.148
  283    HE3  LYS  36           HE3      LYS  36  -6.031  -1.360  11.254
  284    HZ1  LYS  36           HZ1      LYS  36  -6.264  -3.186   9.725
  285    HZ2  LYS  36           HZ2      LYS  36  -5.175  -4.089  10.574
  286    HZ3  LYS  36           HZ3      LYS  36  -6.604  -3.665  11.260
  287    H    TYR  37           H        TYR  37  -1.082   1.105  11.331
  288    HA   TYR  37           HA       TYR  37  -0.402   0.094  13.925
  289    HB2  TYR  37           HB2      TYR  37   1.287   0.685  11.460
  290    HB3  TYR  37           HB3      TYR  37   1.878  -0.175  12.884
  291    HD1  TYR  37           HD2      TYR  37   1.028  -2.422  13.449
  292    HD2  TYR  37           HD1      TYR  37  -0.221  -0.374   9.884
  293    HE1  TYR  37           HE2      TYR  37   0.128  -4.552  12.549
  294    HE2  TYR  37           HE1      TYR  37  -1.116  -2.501   8.966
  295    HH   TYR  37           HH       TYR  37  -1.482  -4.737   9.348
  296    H    GLY  38           H        GLY  38  -0.176   3.201  12.356
  297    HA2  GLY  38           HA2      GLY  38   0.564   4.503  14.804
  298    HA3  GLY  38           HA3      GLY  38   1.961   4.419  13.716
  299    H    ARG  39           H        ARG  39   1.431   5.123  11.353
  300    HA   ARG  39           HA       ARG  39  -0.811   6.843  10.885
  301    HB2  ARG  39           HB2      ARG  39   0.963   8.152  12.445
  302    HB3  ARG  39           HB3      ARG  39   1.798   8.364  10.897
  303    HG2  ARG  39           HG2      ARG  39   0.380  10.281  11.408
  304    HG3  ARG  39           HG3      ARG  39  -0.226   9.457   9.962
  305    HD2  ARG  39           HD2      ARG  39  -1.978   8.375  11.250
  306    HD3  ARG  39           HD3      ARG  39  -1.265   8.951  12.768
  307    HE   ARG  39           HE       ARG  39  -1.725  11.300  11.560
  308   HH11  ARG  39          HH11      ARG  39  -3.858   8.466  11.758
  309   HH12  ARG  39          HH12      ARG  39  -5.306   9.434  11.754
  310   HH21  ARG  39          HH21      ARG  39  -3.654  12.513  11.511
  311   HH22  ARG  39          HH22      ARG  39  -5.193  11.694  11.594
  312    H    VAL  40           H        VAL  40  -0.569   8.026   8.794
  313    HA   VAL  40           HA       VAL  40   1.467   6.817   6.994
  314    HB   VAL  40           HB       VAL  40  -1.528   7.110   6.566
  315   HG11  VAL  40          HG11      VAL  40   0.670   6.546   4.534
  316   HG12  VAL  40          HG12      VAL  40  -1.070   6.267   4.265
  317   HG13  VAL  40          HG13      VAL  40  -0.471   7.924   4.515
  318   HG21  VAL  40          HG21      VAL  40  -0.381   4.975   7.563
  319   HG22  VAL  40          HG22      VAL  40  -1.515   4.777   6.185
  320   HG23  VAL  40          HG23      VAL  40   0.230   4.739   5.915
  321    H    GLY  41           H        GLY  41   2.755   8.545   6.905
  322    HA2  GLY  41           HA2      GLY  41   2.026  11.275   6.821
  323    HA3  GLY  41           HA3      GLY  41   3.539  10.571   6.212
  324    H    ASP  42           H        ASP  42   2.071   8.816   4.254
  325    HA   ASP  42           HA       ASP  42   0.784  10.671   2.381
  326    HB2  ASP  42           HB2      ASP  42   3.569   9.517   2.046
  327    HB3  ASP  42           HB3      ASP  42   2.557   9.851   0.638
  328    H    VAL  43           H        VAL  43  -0.527   9.523   0.965
  329    HA   VAL  43           HA       VAL  43   0.013   6.676   0.503
  330    HB   VAL  43           HB       VAL  43  -1.617   7.237   2.598
  331   HG11  VAL  43          HG11      VAL  43  -3.540   6.858   0.282
  332   HG12  VAL  43          HG12      VAL  43  -3.936   6.825   2.006
  333   HG13  VAL  43          HG13      VAL  43  -3.364   8.337   1.276
  334   HG21  VAL  43          HG21      VAL  43  -1.770   4.915   0.688
  335   HG22  VAL  43          HG22      VAL  43  -0.802   5.089   2.198
  336   HG23  VAL  43          HG23      VAL  43  -2.551   4.960   2.289
  337    H    TYR  44           H        TYR  44   0.032   6.572  -1.654
  338    HA   TYR  44           HA       TYR  44  -2.314   7.559  -3.087
  339    HB2  TYR  44           HB2      TYR  44  -1.343   9.162  -4.428
  340    HB3  TYR  44           HB3      TYR  44  -0.639   9.516  -2.854
  341    HD1  TYR  44           HD2      TYR  44   1.776   8.903  -2.427
  342    HD2  TYR  44           HD1      TYR  44  -0.073   8.382  -6.269
  343    HE1  TYR  44           HE2      TYR  44   4.020   8.782  -3.487
  344    HE2  TYR  44           HE1      TYR  44   2.144   8.209  -7.332
  345    HH   TYR  44           HH       TYR  44   4.435   8.319  -7.018
  346    H    ILE  45           H        ILE  45  -2.083   7.100  -5.510
  347    HA   ILE  45           HA       ILE  45  -0.514   4.597  -5.900
  348    HB   ILE  45           HB       ILE  45  -3.384   5.236  -6.604
  349   HG12  ILE  45          HG12      ILE  45  -3.784   2.976  -5.745
  350   HG13  ILE  45          HG13      ILE  45  -2.061   2.785  -5.374
  351   HG21  ILE  45          HG21      ILE  45  -2.256   4.429  -8.656
  352   HG22  ILE  45          HG22      ILE  45  -1.565   3.067  -7.743
  353   HG23  ILE  45          HG23      ILE  45  -3.329   3.175  -8.002
  354   HD11  ILE  45          HD11      ILE  45  -3.669   5.038  -4.159
  355   HD12  ILE  45          HD12      ILE  45  -3.691   3.386  -3.474
  356   HD13  ILE  45          HD13      ILE  45  -2.165   4.277  -3.568
  357    HA   PRO  46           HA       PRO  46   0.996   7.236  -9.305
  358    HB2  PRO  46           HB2      PRO  46   3.194   5.732  -9.888
  359    HB3  PRO  46           HB3      PRO  46   3.100   6.775  -8.436
  360    HG2  PRO  46           HG2      PRO  46   2.529   3.808  -8.637
  361    HG3  PRO  46           HG3      PRO  46   3.592   4.664  -7.450
  362    HD2  PRO  46           HD2      PRO  46   1.039   3.950  -6.887
  363    HD3  PRO  46           HD3      PRO  46   1.759   5.469  -6.261
  364    H    ARG  47           H        ARG  47  -1.260   5.932  -9.918
  365    HA   ARG  47           HA       ARG  47  -1.003   3.734 -11.724
  366    HB2  ARG  47           HB2      ARG  47  -3.311   4.050 -12.203
  367    HB3  ARG  47           HB3      ARG  47  -3.098   4.422 -10.491
  368    HG2  ARG  47           HG2      ARG  47  -3.056   6.862 -11.099
  369    HG3  ARG  47           HG3      ARG  47  -3.364   6.380 -12.794
  370    HD2  ARG  47           HD2      ARG  47  -5.439   5.228 -12.072
  371    HD3  ARG  47           HD3      ARG  47  -5.165   5.790 -10.414
  372    HE   ARG  47           HE       ARG  47  -5.823   7.940 -11.023
  373   HH11  ARG  47          HH11      ARG  47  -5.520   5.916 -13.938
  374   HH12  ARG  47          HH12      ARG  47  -6.294   7.090 -14.961
  375   HH21  ARG  47          HH21      ARG  47  -6.832   9.445 -12.419
  376   HH22  ARG  47          HH22      ARG  47  -7.033   9.069 -14.111
  377    H    ASP  48           H        ASP  48  -2.433   4.351 -13.967
  378    HA   ASP  48           HA       ASP  48  -0.518   5.250 -15.805
  379    HB2  ASP  48           HB2      ASP  48  -2.274   5.045 -17.417
  380    HB3  ASP  48           HB3      ASP  48  -2.537   3.785 -16.201
  381    H    ARG  49           H        ARG  49  -1.412   6.973 -17.570
  382    HA   ARG  49           HA       ARG  49  -2.298   9.442 -16.205
  383    HB2  ARG  49           HB2      ARG  49   0.225   9.297 -16.280
  384    HB3  ARG  49           HB3      ARG  49   0.136   9.286 -18.038
  385    HG2  ARG  49           HG2      ARG  49   0.660  11.518 -17.105
  386    HG3  ARG  49           HG3      ARG  49  -0.832  11.525 -18.049
  387    HD2  ARG  49           HD2      ARG  49  -1.056  12.825 -15.946
  388    HD3  ARG  49           HD3      ARG  49  -2.182  11.468 -16.010
  389    HE   ARG  49           HE       ARG  49  -1.020  10.392 -14.277
  390   HH11  ARG  49          HH11      ARG  49   0.716  13.306 -15.289
  391   HH12  ARG  49          HH12      ARG  49   1.775  13.288 -13.900
  392   HH21  ARG  49          HH21      ARG  49   0.345  10.415 -12.477
  393   HH22  ARG  49          HH22      ARG  49   1.561  11.664 -12.310
  394    H    TYR  50           H        TYR  50  -2.955   7.263 -18.539
  395    HA   TYR  50           HA       TYR  50  -4.397   9.237 -20.172
  396    HB2  TYR  50           HB2      TYR  50  -3.449   8.304 -22.264
  397    HB3  TYR  50           HB3      TYR  50  -2.277   9.182 -21.290
  398    HD1  TYR  50           HD1      TYR  50  -0.550   7.916 -19.969
  399    HD2  TYR  50           HD2      TYR  50  -3.142   5.997 -22.814
  400    HE1  TYR  50           HE1      TYR  50   0.992   5.968 -20.053
  401    HE2  TYR  50           HE2      TYR  50  -1.615   4.041 -22.892
  402    HH   TYR  50           HH       TYR  50   1.384   3.896 -20.934
  403    H    THR  51           H        THR  51  -4.743   6.642 -18.354
  404    HA   THR  51           HA       THR  51  -6.865   5.497 -20.069
  405    HB   THR  51           HB       THR  51  -6.226   3.211 -19.408
  406   HG21  THR  51          HG21      THR  51  -5.483   4.182 -21.590
  407   HG22  THR  51          HG22      THR  51  -3.968   4.691 -20.807
  408   HG23  THR  51          HG23      THR  51  -4.353   2.961 -20.950
  409    H    LYS  52           H        LYS  52  -7.513   3.408 -18.185
  410    HA   LYS  52           HA       LYS  52  -8.450   5.005 -15.862
  411    HB2  LYS  52           HB2      LYS  52 -10.182   3.237 -17.643
  412    HB3  LYS  52           HB3      LYS  52 -10.667   3.933 -16.094
  413    HG2  LYS  52           HG2      LYS  52 -11.589   5.445 -17.546
  414    HG3  LYS  52           HG3      LYS  52 -10.054   6.233 -17.162
  415    HD2  LYS  52           HD2      LYS  52  -9.115   5.387 -19.316
  416    HD3  LYS  52           HD3      LYS  52 -10.635   4.523 -19.629
  417    HE2  LYS  52           HE2      LYS  52 -11.856   6.687 -19.584
  418    HE3  LYS  52           HE3      LYS  52 -10.328   7.530 -19.280
  419    HZ1  LYS  52           HZ1      LYS  52 -10.928   7.569 -21.611
  420    HZ2  LYS  52           HZ2      LYS  52  -9.536   6.727 -21.394
  421    HZ3  LYS  52           HZ3      LYS  52 -10.949   5.926 -21.670
  422    H    GLU  53           H        GLU  53  -6.255   3.265 -15.815
  423    HA   GLU  53           HA       GLU  53  -7.260   1.113 -14.042
  424    HB2  GLU  53           HB2      GLU  53  -5.740  -0.505 -15.118
  425    HB3  GLU  53           HB3      GLU  53  -6.994   0.065 -16.217
  426    HG2  GLU  53           HG2      GLU  53  -5.394   1.654 -17.240
  427    HG3  GLU  53           HG3      GLU  53  -4.125   1.100 -16.142
  428    H    SER  54           H        SER  54  -4.455   0.050 -13.875
  429    HA   SER  54           HA       SER  54  -2.855   2.354 -13.059
  430    HB2  SER  54           HB2      SER  54  -4.243   1.944 -11.050
  431    HB3  SER  54           HB3      SER  54  -3.682   0.245 -11.022
  432    HG   SER  54           HG       SER  54  -2.478   1.650  -9.642
  433    H    ARG  55           H        ARG  55  -0.710   1.617 -12.211
  434    HA   ARG  55           HA       ARG  55   0.435  -0.357 -14.017
  435    HB2  ARG  55           HB2      ARG  55   1.518   1.483 -11.878
  436    HB3  ARG  55           HB3      ARG  55   2.536   0.345 -12.822
  437    HG2  ARG  55           HG2      ARG  55   1.431   1.272 -14.903
  438    HG3  ARG  55           HG3      ARG  55   0.792   2.591 -13.899
  439    HD2  ARG  55           HD2      ARG  55   3.736   1.864 -14.038
  440    HD3  ARG  55           HD3      ARG  55   2.979   2.996 -15.180
  441    HE   ARG  55           HE       ARG  55   2.321   3.848 -12.555
  442   HH11  ARG  55          HH11      ARG  55   5.159   3.576 -14.648
  443   HH12  ARG  55          HH12      ARG  55   5.958   4.953 -13.924
  444   HH21  ARG  55          HH21      ARG  55   3.360   5.642 -11.667
  445   HH22  ARG  55          HH22      ARG  55   4.950   6.116 -12.228
  446    H    GLY  56           H        GLY  56  -1.072  -0.612 -10.984
  447    HA2  GLY  56           HA2      GLY  56  -1.494  -2.722 -10.012
  448    HA3  GLY  56           HA3      GLY  56  -0.010  -3.365 -10.746
  449    H    PHE  57           H        PHE  57   0.313  -0.264  -9.122
  450    HA   PHE  57           HA       PHE  57   1.044  -1.500  -6.550
  451    HB2  PHE  57           HB2      PHE  57   3.259  -0.926  -6.569
  452    HB3  PHE  57           HB3      PHE  57   3.020  -1.693  -8.142
  453    HD1  PHE  57           HD1      PHE  57   2.527   0.122 -10.148
  454    HD2  PHE  57           HD2      PHE  57   4.430   0.981  -6.383
  455    HE1  PHE  57           HE1      PHE  57   3.635   2.096 -11.148
  456    HE2  PHE  57           HE2      PHE  57   5.519   2.972  -7.391
  457    HZ   PHE  57           HZ       PHE  57   5.107   3.537  -9.765
  458    H    ALA  58           H        ALA  58   1.406  -0.017  -4.898
  459    HA   ALA  58           HA       ALA  58   0.201   2.663  -5.384
  460    HB1  ALA  58           HB1      ALA  58   0.327   0.911  -2.893
  461    HB2  ALA  58           HB2      ALA  58  -0.354   2.542  -2.951
  462    HB3  ALA  58           HB3      ALA  58  -1.125   1.251  -3.878
  463    H    PHE  59           H        PHE  59   0.977   3.755  -2.973
  464    HA   PHE  59           HA       PHE  59   3.829   3.553  -2.480
  465    HB2  PHE  59           HB2      PHE  59   3.197   4.984  -4.724
  466    HB3  PHE  59           HB3      PHE  59   2.933   6.236  -3.532
  467    HD1  PHE  59           HD2      PHE  59   5.232   5.641  -1.600
  468    HD2  PHE  59           HD1      PHE  59   5.039   5.566  -5.900
  469    HE1  PHE  59           HE2      PHE  59   7.651   6.131  -1.724
  470    HE2  PHE  59           HE1      PHE  59   7.444   6.034  -6.030
  471    HZ   PHE  59           HZ       PHE  59   8.777   6.327  -3.928
  472    H    VAL  60           H        VAL  60   2.326   2.910  -0.637
  473    HA   VAL  60           HA       VAL  60   1.540   5.384   0.778
  474    HB   VAL  60           HB       VAL  60   0.921   4.294   2.540
  475   HG11  VAL  60          HG11      VAL  60  -0.146   2.147   2.104
  476   HG12  VAL  60          HG12      VAL  60  -0.384   3.310   0.780
  477   HG13  VAL  60          HG13      VAL  60   0.761   1.988   0.574
  478   HG21  VAL  60          HG21      VAL  60   3.116   2.279   2.307
  479   HG22  VAL  60          HG22      VAL  60   2.886   3.591   3.470
  480   HG23  VAL  60          HG23      VAL  60   1.796   2.212   3.523
  481    H    ARG  61           H        ARG  61   2.877   6.650   2.068
  482    HA   ARG  61           HA       ARG  61   5.618   5.641   2.536
  483    HB2  ARG  61           HB2      ARG  61   6.140   6.957   0.754
  484    HB3  ARG  61           HB3      ARG  61   4.760   8.056   0.988
  485    HG2  ARG  61           HG2      ARG  61   5.913   9.087   2.919
  486    HG3  ARG  61           HG3      ARG  61   7.255   7.936   2.736
  487    HD2  ARG  61           HD2      ARG  61   7.932   9.965   1.658
  488    HD3  ARG  61           HD3      ARG  61   7.551   8.785   0.385
  489    HE   ARG  61           HE       ARG  61   5.662  10.947   1.267
  490   HH11  ARG  61          HH11      ARG  61   7.159   9.042  -1.330
  491   HH12  ARG  61          HH12      ARG  61   6.281   9.885  -2.584
  492   HH21  ARG  61          HH21      ARG  61   4.563  12.003  -0.383
  493   HH22  ARG  61          HH22      ARG  61   4.794  11.536  -2.054
  494    H    PHE  62           H        PHE  62   6.488   5.968   4.268
  495    HA   PHE  62           HA       PHE  62   4.756   7.223   6.390
  496    HB2  PHE  62           HB2      PHE  62   6.704   4.941   6.425
  497    HB3  PHE  62           HB3      PHE  62   6.293   5.827   7.890
  498    HD1  PHE  62           HD1      PHE  62   3.931   5.005   5.070
  499    HD2  PHE  62           HD2      PHE  62   5.130   4.279   9.145
  500    HE1  PHE  62           HE1      PHE  62   1.855   3.766   5.441
  501    HE2  PHE  62           HE2      PHE  62   3.073   2.951   9.502
  502    HZ   PHE  62           HZ       PHE  62   1.444   2.689   7.698
  503    H    HIS  63           H        HIS  63   5.406   8.836   7.500
  504    HA   HIS  63           HA       HIS  63   7.827  10.294   6.901
  505    HB2  HIS  63           HB2      HIS  63   6.817  11.856   8.612
  506    HB3  HIS  63           HB3      HIS  63   5.721  11.445   7.288
  507    HD2  HIS  63           HD2      HIS  63   3.455  11.823   8.711
  508    HE1  HIS  63           HE1      HIS  63   4.076   8.704  11.530
  509    HE2  HIS  63           HE2      HIS  63   2.406  10.429  10.648
  510    H    ASP  64           H        ASP  64   7.209   7.665   8.935
  511    HA   ASP  64           HA       ASP  64   9.576   8.267  10.589
  512    HB2  ASP  64           HB2      ASP  64   7.552   9.114  11.805
  513    HB3  ASP  64           HB3      ASP  64   6.902   7.462  11.789
  514    H    LYS  65           H        LYS  65  10.833   6.586  10.263
  515    HA   LYS  65           HA       LYS  65  10.099   4.153   9.090
  516    HB2  LYS  65           HB2      LYS  65  12.359   3.464   9.569
  517    HB3  LYS  65           HB3      LYS  65  12.353   5.197   9.180
  518    HG2  LYS  65           HG2      LYS  65  12.163   5.503  11.791
  519    HG3  LYS  65           HG3      LYS  65  12.756   3.830  11.845
  520    HD2  LYS  65           HD2      LYS  65  14.101   6.214  10.518
  521    HD3  LYS  65           HD3      LYS  65  14.624   5.423  12.019
  522    HE2  LYS  65           HE2      LYS  65  15.106   3.355  10.777
  523    HE3  LYS  65           HE3      LYS  65  14.498   4.084   9.286
  524    HZ1  LYS  65           HZ1      LYS  65  16.805   5.080  10.828
  525    HZ2  LYS  65           HZ2      LYS  65  16.906   4.221   9.437
  526    HZ3  LYS  65           HZ3      LYS  65  16.229   5.710   9.410
  527    H    ARG  66           H        ARG  66   9.829   5.090  12.477
  528    HA   ARG  66           HA       ARG  66   9.960   2.382  13.523
  529    HB2  ARG  66           HB2      ARG  66   8.727   4.918  14.680
  530    HB3  ARG  66           HB3      ARG  66   9.066   3.428  15.587
  531    HG2  ARG  66           HG2      ARG  66  11.102   5.282  14.284
  532    HG3  ARG  66           HG3      ARG  66  10.816   5.051  16.019
  533    HD2  ARG  66           HD2      ARG  66  11.485   2.645  15.756
  534    HD3  ARG  66           HD3      ARG  66  11.873   2.974  14.057
  535    HE   ARG  66           HE       ARG  66  13.215   4.767  15.914
  536   HH11  ARG  66          HH11      ARG  66  13.377   1.640  14.281
  537   HH12  ARG  66          HH12      ARG  66  15.117   1.524  14.416
  538   HH21  ARG  66          HH21      ARG  66  15.487   4.603  16.056
  539   HH22  ARG  66          HH22      ARG  66  16.301   3.192  15.412
  540    H    ASP  67           H        ASP  67   7.248   4.639  12.757
  541    HA   ASP  67           HA       ASP  67   5.205   2.717  13.365
  542    HB2  ASP  67           HB2      ASP  67   5.184   5.111  11.476
  543    HB3  ASP  67           HB3      ASP  67   3.754   4.225  12.010
  544    H    ALA  68           H        ALA  68   7.322   3.283  10.627
  545    HA   ALA  68           HA       ALA  68   5.788   1.705   8.739
  546    HB1  ALA  68           HB1      ALA  68   7.289   3.541   8.043
  547    HB2  ALA  68           HB2      ALA  68   8.676   2.689   8.764
  548    HB3  ALA  68           HB3      ALA  68   7.841   1.981   7.372
  549    H    GLU  69           H        GLU  69   8.458   1.094  11.059
  550    HA   GLU  69           HA       GLU  69   9.320  -1.403  10.054
  551    HB2  GLU  69           HB2      GLU  69   9.320  -0.024  12.737
  552    HB3  GLU  69           HB3      GLU  69   9.651  -1.753  12.682
  553    HG2  GLU  69           HG2      GLU  69  11.446  -1.317  10.977
  554    HG3  GLU  69           HG3      GLU  69  11.148   0.407  11.120
  555    H    ASP  70           H        ASP  70   6.773  -0.625  12.516
  556    HA   ASP  70           HA       ASP  70   6.207  -3.436  12.895
  557    HB2  ASP  70           HB2      ASP  70   4.484  -1.033  13.582
  558    HB3  ASP  70           HB3      ASP  70   4.339  -2.679  14.219
  559    H    ALA  71           H        ALA  71   4.626  -0.810  10.993
  560    HA   ALA  71           HA       ALA  71   2.398  -2.331  10.153
  561    HB1  ALA  71           HB1      ALA  71   2.167  -0.638   8.414
  562    HB2  ALA  71           HB2      ALA  71   2.659   0.153   9.921
  563    HB3  ALA  71           HB3      ALA  71   3.858  -0.127   8.635
  564    H    MET  72           H        MET  72   5.642  -1.871   8.628
  565    HA   MET  72           HA       MET  72   5.138  -3.495   6.340
  566    HB2  MET  72           HB2      MET  72   6.962  -1.914   6.408
  567    HB3  MET  72           HB3      MET  72   7.632  -2.658   7.873
  568    HG2  MET  72           HG2      MET  72   8.395  -4.553   6.753
  569    HG3  MET  72           HG3      MET  72   7.397  -4.253   5.326
  570    HE1  MET  72           HE1      MET  72  10.867  -1.373   6.407
  571    HE2  MET  72           HE2      MET  72   9.184  -1.129   6.898
  572    HE3  MET  72           HE3      MET  72  10.103  -2.496   7.569
  573    H    ASP  73           H        ASP  73   6.515  -4.246   9.572
  574    HA   ASP  73           HA       ASP  73   7.033  -6.992   8.940
  575    HB2  ASP  73           HB2      ASP  73   8.161  -5.717  10.752
  576    HB3  ASP  73           HB3      ASP  73   6.620  -5.633  11.633
  577    H    ALA  74           H        ALA  74   4.109  -5.367   9.226
  578    HA   ALA  74           HA       ALA  74   2.691  -7.886   9.924
  579    HB1  ALA  74           HB1      ALA  74   1.990  -5.024  10.696
  580    HB2  ALA  74           HB2      ALA  74   1.006  -6.467  11.062
  581    HB3  ALA  74           HB3      ALA  74   2.610  -6.274  11.790
  582    H    MET  75           H        MET  75   3.408  -6.010   7.350
  583    HA   MET  75           HA       MET  75   0.733  -6.484   6.129
  584    HB2  MET  75           HB2      MET  75   2.345  -3.923   6.086
  585    HB3  MET  75           HB3      MET  75   1.181  -4.303   4.834
  586    HG2  MET  75           HG2      MET  75   0.557  -4.155   7.809
  587    HG3  MET  75           HG3      MET  75   0.176  -2.926   6.606
  588    HE1  MET  75           HE1      MET  75  -0.524  -5.244   4.194
  589    HE2  MET  75           HE2      MET  75  -2.283  -4.974   4.238
  590    HE3  MET  75           HE3      MET  75  -1.161  -3.594   4.344
  591    H    ASP  76           H        ASP  76   4.245  -6.635   5.802
  592    HA   ASP  76           HA       ASP  76   4.260  -6.784   2.943
  593    HB2  ASP  76           HB2      ASP  76   6.286  -6.404   4.355
  594    HB3  ASP  76           HB3      ASP  76   6.162  -8.073   4.944
  595    H    GLY  77           H        GLY  77   3.344  -8.273   1.689
  596    HA2  GLY  77           HA2      GLY  77   2.574 -10.247   0.894
  597    HA3  GLY  77           HA3      GLY  77   3.567 -11.098   2.110
  598    H    ALA  78           H        ALA  78   1.140  -8.678   2.960
  599    HA   ALA  78           HA       ALA  78  -0.211 -10.647   4.670
  600    HB1  ALA  78           HB1      ALA  78  -0.612  -7.658   4.298
  601    HB2  ALA  78           HB2      ALA  78  -1.361  -8.662   5.558
  602    HB3  ALA  78           HB3      ALA  78   0.402  -8.442   5.544
  603    H    VAL  79           H        VAL  79  -0.503 -10.035   1.504
  604    HA   VAL  79           HA       VAL  79  -2.222  -9.880  -0.021
  605    HB   VAL  79           HB       VAL  79  -1.707 -12.163   0.043
  606   HG11  VAL  79          HG11      VAL  79  -3.516 -12.456   2.461
  607   HG12  VAL  79          HG12      VAL  79  -2.753 -13.787   1.561
  608   HG13  VAL  79          HG13      VAL  79  -1.733 -12.610   2.408
  609   HG21  VAL  79          HG21      VAL  79  -3.581 -11.525  -1.239
  610   HG22  VAL  79          HG22      VAL  79  -3.649 -13.215  -0.690
  611   HG23  VAL  79          HG23      VAL  79  -4.699 -12.000   0.080
  612    H    LEU  80           H        LEU  80  -3.055  -7.894   0.858
  613    HA   LEU  80           HA       LEU  80  -5.353  -7.726   2.477
  614    HB2  LEU  80           HB2      LEU  80  -3.973  -5.869   2.188
  615    HB3  LEU  80           HB3      LEU  80  -3.899  -6.036   0.443
  616    HG   LEU  80           HG       LEU  80  -6.498  -5.266   1.794
  617   HD11  LEU  80          HD11      LEU  80  -4.162  -3.506   0.950
  618   HD12  LEU  80          HD12      LEU  80  -5.774  -2.903   1.416
  619   HD13  LEU  80          HD13      LEU  80  -4.763  -3.753   2.609
  620   HD21  LEU  80          HD21      LEU  80  -6.796  -4.107  -0.412
  621   HD22  LEU  80          HD22      LEU  80  -5.188  -4.701  -0.922
  622   HD23  LEU  80          HD23      LEU  80  -6.518  -5.841  -0.665
  623    H    ASP  81           H        ASP  81  -5.063  -8.910  -0.801
  624    HA   ASP  81           HA       ASP  81  -8.033  -8.870  -0.992
  625    HB2  ASP  81           HB2      ASP  81  -7.260  -6.941  -2.308
  626    HB3  ASP  81           HB3      ASP  81  -6.102  -7.961  -3.158
  627    H    GLY  82           H        GLY  82  -4.984 -10.122  -2.469
  628    HA2  GLY  82           HA2      GLY  82  -5.230 -12.744  -2.063
  629    HA3  GLY  82           HA3      GLY  82  -6.425 -12.553  -3.378
  630    H    ARG  83           H        ARG  83  -3.451 -10.663  -3.055
  631    HA   ARG  83           HA       ARG  83  -2.163 -12.224  -5.234
  632    HB2  ARG  83           HB2      ARG  83  -1.530  -9.959  -6.234
  633    HB3  ARG  83           HB3      ARG  83  -3.236 -10.429  -6.397
  634    HG2  ARG  83           HG2      ARG  83  -3.950  -8.968  -4.677
  635    HG3  ARG  83           HG3      ARG  83  -2.299  -8.708  -4.075
  636    HD2  ARG  83           HD2      ARG  83  -3.183  -6.812  -5.428
  637    HD3  ARG  83           HD3      ARG  83  -1.673  -7.509  -6.038
  638    HE   ARG  83           HE       ARG  83  -4.394  -8.041  -7.189
  639   HH11  ARG  83          HH11      ARG  83  -0.889  -7.737  -7.624
  640   HH12  ARG  83          HH12      ARG  83  -0.971  -8.094  -9.333
  641   HH21  ARG  83          HH21      ARG  83  -4.452  -8.455  -9.408
  642   HH22  ARG  83          HH22      ARG  83  -2.980  -8.453 -10.349
  643    H    GLU  84           H        GLU  84  -1.908 -10.218  -2.402
  644    HA   GLU  84           HA       GLU  84  -0.451 -10.706  -0.708
  645    HB2  GLU  84           HB2      GLU  84   0.644 -12.475  -2.556
  646    HB3  GLU  84           HB3      GLU  84   1.993 -11.394  -2.130
  647    HG2  GLU  84           HG2      GLU  84   1.241 -11.781   0.322
  648    HG3  GLU  84           HG3      GLU  84   0.196 -13.042  -0.303
  649    H    LEU  85           H        LEU  85  -0.620  -8.607  -0.260
  650    HA   LEU  85           HA       LEU  85   0.396  -6.353  -1.437
  651    HB2  LEU  85           HB2      LEU  85  -0.999  -7.001   0.761
  652    HB3  LEU  85           HB3      LEU  85   0.542  -6.726   1.550
  653    HG   LEU  85           HG       LEU  85  -0.962  -4.805   1.655
  654   HD11  LEU  85          HD11      LEU  85   1.305  -4.022  -0.185
  655   HD12  LEU  85          HD12      LEU  85   0.519  -3.069   1.077
  656   HD13  LEU  85          HD13      LEU  85   1.540  -4.449   1.540
  657   HD21  LEU  85          HD21      LEU  85  -2.112  -5.209  -0.526
  658   HD22  LEU  85          HD22      LEU  85  -1.596  -3.524  -0.305
  659   HD23  LEU  85          HD23      LEU  85  -0.664  -4.594  -1.367
  660    H    ARG  86           H        ARG  86   2.310  -5.025  -1.042
  661    HA   ARG  86           HA       ARG  86   4.699  -6.552  -0.098
  662    HB2  ARG  86           HB2      ARG  86   4.438  -4.759  -2.543
  663    HB3  ARG  86           HB3      ARG  86   5.959  -5.432  -1.938
  664    HG2  ARG  86           HG2      ARG  86   3.580  -7.075  -2.898
  665    HG3  ARG  86           HG3      ARG  86   5.034  -6.724  -3.850
  666    HD2  ARG  86           HD2      ARG  86   6.438  -7.847  -2.167
  667    HD3  ARG  86           HD3      ARG  86   5.010  -8.185  -1.177
  668    HE   ARG  86           HE       ARG  86   5.325  -9.272  -3.951
  669   HH11  ARG  86          HH11      ARG  86   4.555  -9.716  -0.529
  670   HH12  ARG  86          HH12      ARG  86   4.129 -11.413  -0.743
  671   HH21  ARG  86          HH21      ARG  86   4.729 -11.487  -4.168
  672   HH22  ARG  86          HH22      ARG  86   4.209 -12.374  -2.750
  673    H    VAL  87           H        VAL  87   6.013  -5.426   1.260
  674    HA   VAL  87           HA       VAL  87   5.681  -2.478   1.378
  675    HB   VAL  87           HB       VAL  87   5.744  -4.252   3.849
  676   HG11  VAL  87          HG11      VAL  87   5.257  -1.294   3.317
  677   HG12  VAL  87          HG12      VAL  87   4.938  -2.076   4.879
  678   HG13  VAL  87          HG13      VAL  87   6.588  -2.043   4.212
  679   HG21  VAL  87          HG21      VAL  87   3.652  -4.776   2.808
  680   HG22  VAL  87          HG22      VAL  87   3.343  -3.639   4.130
  681   HG23  VAL  87          HG23      VAL  87   3.320  -3.076   2.444
  682    H    GLN  88           H        GLN  88   7.490  -1.374   1.755
  683    HA   GLN  88           HA       GLN  88   9.945  -2.483   2.803
  684    HB2  GLN  88           HB2      GLN  88  11.176  -2.245   0.623
  685    HB3  GLN  88           HB3      GLN  88  10.100  -3.650   0.702
  686    HG2  GLN  88           HG2      GLN  88   8.392  -2.506  -0.598
  687    HG3  GLN  88           HG3      GLN  88   9.337  -1.013  -0.607
  688   HE21  GLN  88          HE22      GLN  88   8.356  -2.690  -2.877
  689   HE22  GLN  88          HE21      GLN  88   9.793  -3.108  -3.792
  690    H    MET  89           H        MET  89  11.514  -0.898   3.091
  691    HA   MET  89           HA       MET  89  10.799   1.783   3.363
  692    HB2  MET  89           HB2      MET  89  13.444   0.377   2.921
  693    HB3  MET  89           HB3      MET  89  13.330   2.119   3.281
  694    HG2  MET  89           HG2      MET  89  11.918   0.040   4.969
  695    HG3  MET  89           HG3      MET  89  13.598   0.467   5.278
  696    HE1  MET  89           HE1      MET  89  11.101   2.127   8.016
  697    HE2  MET  89           HE2      MET  89  10.668   0.748   6.979
  698    HE3  MET  89           HE3      MET  89  12.284   0.827   7.742
  699    H    ALA  90           H        ALA  90  10.750   3.533   2.080
  700    HA   ALA  90           HA       ALA  90  10.834   3.247  -0.822
  701    HB1  ALA  90           HB1      ALA  90  10.136   5.582  -0.775
  702    HB2  ALA  90           HB2      ALA  90   9.185   4.662   0.397
  703    HB3  ALA  90           HB3      ALA  90  10.506   5.693   0.968
  704    H    ARG  91           H        ARG  91  13.306   3.363   1.343
  705    HA   ARG  91           HA       ARG  91  15.338   4.294   1.514
  706    HB2  ARG  91           HB2      ARG  91  16.770   4.009  -0.469
  707    HB3  ARG  91           HB3      ARG  91  15.876   2.590   0.085
  708    HG2  ARG  91           HG2      ARG  91  15.813   2.484  -2.240
  709    HG3  ARG  91           HG3      ARG  91  14.200   3.026  -1.758
  710    HD2  ARG  91           HD2      ARG  91  14.745   5.325  -2.442
  711    HD3  ARG  91           HD3      ARG  91  16.439   4.890  -2.674
  712    HE   ARG  91           HE       ARG  91  15.951   4.050  -4.743
  713   HH11  ARG  91          HH11      ARG  91  12.930   4.397  -2.946
  714   HH12  ARG  91          HH12      ARG  91  11.930   3.897  -4.289
  715   HH21  ARG  91          HH21      ARG  91  14.629   3.418  -6.489
  716   HH22  ARG  91          HH22      ARG  91  12.893   3.387  -6.309
  717    H    TYR  92           H        TYR  92  13.605   6.272   1.606
  718    HA   TYR  92           HA       TYR  92  15.120   8.516   0.374
  719    HB2  TYR  92           HB2      TYR  92  12.142   8.026   0.486
  720    HB3  TYR  92           HB3      TYR  92  12.836   9.611   0.084
  721    HD1  TYR  92           HD1      TYR  92  15.069   8.722  -1.760
  722    HD2  TYR  92           HD2      TYR  92  10.982   7.426  -1.377
  723    HE1  TYR  92           HE1      TYR  92  15.059   8.051  -4.149
  724    HE2  TYR  92           HE2      TYR  92  11.000   6.635  -3.729
  725    HH   TYR  92           HH       TYR  92  13.863   7.095  -5.851
  726    H    GLY  93           H        GLY  93  14.365  10.640   1.519
  727    HA2  GLY  93           HA2      GLY  93  13.198  10.605   4.094
  728    HA3  GLY  93           HA3      GLY  93  14.948  10.426   4.290
  729    H    ARG  94           H        ARG  94  14.143  12.591   5.444
  730    HA   ARG  94           HA       ARG  94  15.080  14.786   3.748
  731    HB2  ARG  94           HB2      ARG  94  12.564  14.625   3.454
  732    HB3  ARG  94           HB3      ARG  94  12.392  14.903   5.194
  733    HG2  ARG  94           HG2      ARG  94  12.048  17.004   4.104
  734    HG3  ARG  94           HG3      ARG  94  13.634  17.094   4.875
  735    HD2  ARG  94           HD2      ARG  94  14.696  16.523   2.675
  736    HD3  ARG  94           HD3      ARG  94  13.086  16.468   1.941
  737    HE   ARG  94           HE       ARG  94  13.381  18.985   3.227
  738   HH11  ARG  94          HH11      ARG  94  14.730  17.210   0.496
  739   HH12  ARG  94          HH12      ARG  94  15.112  18.660  -0.413
  740   HH21  ARG  94          HH21      ARG  94  13.875  20.860   2.021
  741   HH22  ARG  94          HH22      ARG  94  14.626  20.709   0.449
  742    HA   PRO  95           HA       PRO  95  17.093  15.669   7.645
  743    HB2  PRO  95           HB2      PRO  95  16.768  18.494   6.627
  744    HB3  PRO  95           HB3      PRO  95  18.215  17.728   7.360
  745    HG2  PRO  95           HG2      PRO  95  18.059  18.019   4.681
  746    HG3  PRO  95           HG3      PRO  95  18.647  16.472   5.384
  747    HD2  PRO  95           HD2      PRO  95  15.902  17.107   4.282
  748    HD3  PRO  95           HD3      PRO  95  16.903  15.636   4.073
  749    HA   PRO  96           HA       PRO  96  13.823  16.948  10.336
  750    HB2  PRO  96           HB2      PRO  96  15.164  17.697  12.591
  751    HB3  PRO  96           HB3      PRO  96  15.177  16.009  11.994
  752    HG2  PRO  96           HG2      PRO  96  17.257  18.165  11.495
  753    HG3  PRO  96           HG3      PRO  96  17.522  16.489  12.097
  754    HD2  PRO  96           HD2      PRO  96  17.807  17.142   9.464
  755    HD3  PRO  96           HD3      PRO  96  17.107  15.567   9.958
  756    H    ASP  97           H        ASP  97  15.885  19.186   8.878
  757    HA   ASP  97           HA       ASP  97  16.005  21.416   8.702
  758    HB2  ASP  97           HB2      ASP  97  13.759  20.854   7.762
  759    HB3  ASP  97           HB3      ASP  97  13.030  21.291   9.311
  760    H    SER  98           H        SER  98  16.354  20.291  11.481
  761    HA   SER  98           HA       SER  98  16.449  22.872  12.863
  762    HB2  SER  98           HB2      SER  98  14.159  21.991  13.369
  763    HB3  SER  98           HB3      SER  98  14.906  20.520  14.036
  764    HG   SER  98           HG       SER  98  14.448  22.090  15.638
  765    H    HIS  99           H        HIS  99  17.480  22.471  15.119
  766    HA   HIS  99           HA       HIS  99  19.324  20.160  15.139
  767    HB2  HIS  99           HB2      HIS  99  20.219  23.073  15.210
  768    HB3  HIS  99           HB3      HIS  99  21.264  21.662  15.439
  769    HD2  HIS  99           HD2      HIS  99  21.554  19.997  13.210
  770    HE1  HIS  99           HE1      HIS  99  20.503  23.006  10.391
  771    HE2  HIS  99           HE2      HIS  99  21.552  20.701  10.686
  772    H    HIS 100           H        HIS 100  17.012  21.665  16.748
  773    HA   HIS 100           HA       HIS 100  18.167  21.080  19.386
  774    HB2  HIS 100           HB2      HIS 100  17.551  23.280  20.284
  775    HB3  HIS 100           HB3      HIS 100  18.780  23.435  19.025
  776    HD2  HIS 100           HD2      HIS 100  15.154  24.353  19.814
  777    HE1  HIS 100           HE1      HIS 100  16.033  26.114  16.042
  778    HE2  HIS 100           HE2      HIS 100  14.328  25.983  17.930
  779    H    SER 101           H        SER 101  16.388  21.574  21.099
  780    HA   SER 101           HA       SER 101  13.643  21.113  20.087
  781    HB2  SER 101           HB2      SER 101  15.105  19.239  21.987
  782    HB3  SER 101           HB3      SER 101  13.368  19.182  21.613
  783    HG   SER 101           HG       SER 101  14.594  17.736  20.321
  Start of MODEL   18
    1    H    MET   1           H1       MET   1   8.061 -22.126  -2.535
    2    HA   MET   1           HA       MET   1   6.331 -22.671  -0.234
    3    HB2  MET   1           HB2      MET   1   7.441 -24.684  -1.174
    4    HB3  MET   1           HB3      MET   1   9.017 -23.893  -0.990
    5    HG2  MET   1           HG2      MET   1   8.630 -23.689   1.444
    6    HG3  MET   1           HG3      MET   1   7.056 -24.474   1.263
    7    HE1  MET   1           HE1      MET   1   7.972 -28.142   0.344
    8    HE2  MET   1           HE2      MET   1   6.677 -26.981   0.716
    9    HE3  MET   1           HE3      MET   1   7.606 -26.827  -0.796
   10    H    SER   2           H        SER   2   6.627 -21.345   1.443
   11    HA   SER   2           HA       SER   2   9.237 -20.034   1.884
   12    HB2  SER   2           HB2      SER   2   6.626 -18.498   1.586
   13    HB3  SER   2           HB3      SER   2   8.199 -17.817   2.057
   14    HG   SER   2           HG       SER   2   7.779 -17.533  -0.167
   15    H    TYR   3           H        TYR   3   8.888 -18.503   3.938
   16    HA   TYR   3           HA       TYR   3   7.077 -19.736   5.920
   17    HB2  TYR   3           HB2      TYR   3   9.028 -20.164   7.434
   18    HB3  TYR   3           HB3      TYR   3   9.013 -21.192   6.000
   19    HD1  TYR   3           HD2      TYR   3  10.704 -18.289   7.616
   20    HD2  TYR   3           HD1      TYR   3  10.692 -21.018   4.283
   21    HE1  TYR   3           HE2      TYR   3  13.001 -17.591   7.042
   22    HE2  TYR   3           HE1      TYR   3  13.000 -20.318   3.703
   23    HH   TYR   3           HH       TYR   3  14.777 -18.975   4.250
   24    H    GLY   4           H        GLY   4   9.056 -17.097   4.764
   25    HA2  GLY   4           HA2      GLY   4   8.066 -14.925   5.816
   26    HA3  GLY   4           HA3      GLY   4   8.769 -15.589   7.305
   27    H    ARG   5           H        ARG   5   9.972 -13.435   7.086
   28    HA   ARG   5           HA       ARG   5  12.620 -14.110   6.064
   29    HB2  ARG   5           HB2      ARG   5  12.898 -12.263   4.598
   30    HB3  ARG   5           HB3      ARG   5  11.365 -12.994   4.132
   31    HG2  ARG   5           HG2      ARG   5  11.725 -10.512   5.861
   32    HG3  ARG   5           HG3      ARG   5  11.272 -10.537   4.155
   33    HD2  ARG   5           HD2      ARG   5   9.188 -11.751   4.729
   34    HD3  ARG   5           HD3      ARG   5   9.627 -11.687   6.446
   35    HE   ARG   5           HE       ARG   5   8.718  -9.452   4.754
   36   HH11  ARG   5          HH11      ARG   5  10.035 -10.492   7.886
   37   HH12  ARG   5          HH12      ARG   5   9.489  -9.053   8.710
   38   HH21  ARG   5          HH21      ARG   5   8.127  -7.558   5.853
   39   HH22  ARG   5          HH22      ARG   5   8.493  -7.373   7.561
   40    HA   PRO   6           HA       PRO   6  13.724 -11.784   9.663
   41    HB2  PRO   6           HB2      PRO   6  16.290 -11.013   9.092
   42    HB3  PRO   6           HB3      PRO   6  15.836 -12.732   9.355
   43    HG2  PRO   6           HG2      PRO   6  16.120 -11.258   6.722
   44    HG3  PRO   6           HG3      PRO   6  16.852 -12.829   7.189
   45    HD2  PRO   6           HD2      PRO   6  14.547 -12.694   5.758
   46    HD3  PRO   6           HD3      PRO   6  14.767 -13.941   7.023
   47    HA   PRO   7           HA       PRO   7  13.048  -7.467   8.929
   48    HB2  PRO   7           HB2      PRO   7  14.430  -6.243  10.954
   49    HB3  PRO   7           HB3      PRO   7  12.978  -7.255  11.245
   50    HG2  PRO   7           HG2      PRO   7  15.890  -8.078  11.446
   51    HG3  PRO   7           HG3      PRO   7  14.577  -8.337  12.646
   52    HD2  PRO   7           HD2      PRO   7  15.302 -10.274  10.882
   53    HD3  PRO   7           HD3      PRO   7  13.583 -10.031  11.314
   54    HA   PRO   8           HA       PRO   8  16.535  -5.747   6.729
   55    HB2  PRO   8           HB2      PRO   8  15.781  -3.200   6.362
   56    HB3  PRO   8           HB3      PRO   8  14.725  -4.527   5.824
   57    HG2  PRO   8           HG2      PRO   8  14.545  -3.012   8.452
   58    HG3  PRO   8           HG3      PRO   8  13.239  -3.260   7.239
   59    HD2  PRO   8           HD2      PRO   8  13.647  -4.866   9.433
   60    HD3  PRO   8           HD3      PRO   8  12.965  -5.496   7.890
   61    H    ASP   9           H        ASP   9  17.061  -2.803   7.397
   62    HA   ASP   9           HA       ASP   9  18.436  -3.046  10.014
   63    HB2  ASP   9           HB2      ASP   9  20.573  -2.377   9.039
   64    HB3  ASP   9           HB3      ASP   9  20.013  -3.916   8.335
   65    H    VAL  10           H        VAL  10  17.288  -1.084   7.315
   66    HA   VAL  10           HA       VAL  10  17.014   1.084   6.983
   67    HB   VAL  10           HB       VAL  10  15.525   2.164   8.571
   68   HG11  VAL  10          HG11      VAL  10  15.023  -0.832   8.369
   69   HG12  VAL  10          HG12      VAL  10  13.803   0.420   8.675
   70   HG13  VAL  10          HG13      VAL  10  14.670   0.371   7.112
   71   HG21  VAL  10          HG21      VAL  10  16.699   1.516  10.697
   72   HG22  VAL  10          HG22      VAL  10  14.953   1.179  10.718
   73   HG23  VAL  10          HG23      VAL  10  16.099  -0.145  10.478
   74    H    GLU  11           H        GLU  11  19.732   0.534   8.036
   75    HA   GLU  11           HA       GLU  11  20.475   2.616   9.840
   76    HB2  GLU  11           HB2      GLU  11  22.021   0.899   7.865
   77    HB3  GLU  11           HB3      GLU  11  22.813   2.036   8.967
   78    HG2  GLU  11           HG2      GLU  11  20.996  -0.226   9.878
   79    HG3  GLU  11           HG3      GLU  11  22.762  -0.316   9.810
   80    H    GLY  12           H        GLY  12  19.233   3.075   6.815
   81    HA2  GLY  12           HA2      GLY  12  20.493   5.696   6.549
   82    HA3  GLY  12           HA3      GLY  12  20.912   4.557   5.255
   83    H    MET  13           H        MET  13  17.730   4.387   6.807
   84    HA   MET  13           HA       MET  13  16.457   5.946   4.642
   85    HB2  MET  13           HB2      MET  13  15.848   3.022   5.233
   86    HB3  MET  13           HB3      MET  13  14.940   4.062   4.122
   87    HG2  MET  13           HG2      MET  13  16.999   4.352   2.752
   88    HG3  MET  13           HG3      MET  13  17.866   3.263   3.841
   89    HE1  MET  13           HE1      MET  13  15.802   0.966   4.507
   90    HE2  MET  13           HE2      MET  13  16.249  -0.194   3.247
   91    HE3  MET  13           HE3      MET  13  17.515   0.749   4.070
   92    H    THR  14           H        THR  14  14.140   6.322   5.099
   93    HA   THR  14           HA       THR  14  13.201   5.509   7.763
   94    HB   THR  14           HB       THR  14  13.411   8.424   6.901
   95   HG21  THR  14          HG21      THR  14  12.231   7.241   9.456
   96   HG22  THR  14          HG22      THR  14  12.413   8.968   9.073
   97   HG23  THR  14          HG23      THR  14  11.290   7.965   8.143
   98    H    SER  15           H        SER  15  12.527   7.166   4.645
   99    HA   SER  15           HA       SER  15   9.648   7.079   4.924
  100    HB2  SER  15           HB2      SER  15  11.434   7.175   2.459
  101    HB3  SER  15           HB3      SER  15   9.685   7.499   2.496
  102    HG   SER  15           HG       SER  15  10.912   9.424   2.613
  103    H    LEU  16           H        LEU  16   8.194   5.654   4.415
  104    HA   LEU  16           HA       LEU  16   9.141   2.935   3.635
  105    HB2  LEU  16           HB2      LEU  16   7.648   3.283   5.659
  106    HB3  LEU  16           HB3      LEU  16   6.385   3.846   4.551
  107    HG   LEU  16           HG       LEU  16   6.458   1.610   3.409
  108   HD11  LEU  16          HD11      LEU  16   8.331   0.914   5.719
  109   HD12  LEU  16          HD12      LEU  16   7.619  -0.236   4.560
  110   HD13  LEU  16          HD13      LEU  16   8.781   0.977   4.003
  111   HD21  LEU  16          HD21      LEU  16   4.816   2.091   5.168
  112   HD22  LEU  16          HD22      LEU  16   5.332   0.396   5.219
  113   HD23  LEU  16          HD23      LEU  16   5.968   1.555   6.408
  114    H    LYS  17           H        LYS  17   7.934   1.814   1.969
  115    HA   LYS  17           HA       LYS  17   6.255   3.364   0.079
  116    HB2  LYS  17           HB2      LYS  17   8.236   3.546  -1.096
  117    HB3  LYS  17           HB3      LYS  17   8.890   2.038  -0.441
  118    HG2  LYS  17           HG2      LYS  17   8.485   1.713  -2.752
  119    HG3  LYS  17           HG3      LYS  17   7.285   0.755  -1.869
  120    HD2  LYS  17           HD2      LYS  17   5.644   2.647  -2.242
  121    HD3  LYS  17           HD3      LYS  17   6.882   3.443  -3.241
  122    HE2  LYS  17           HE2      LYS  17   5.735   0.680  -3.752
  123    HE3  LYS  17           HE3      LYS  17   5.268   2.166  -4.610
  124    HZ1  LYS  17           HZ1      LYS  17   7.969   1.004  -4.612
  125    HZ2  LYS  17           HZ2      LYS  17   6.886   0.929  -5.846
  126    HZ3  LYS  17           HZ3      LYS  17   7.503   2.378  -5.388
  127    H    VAL  18           H        VAL  18   4.553   2.156  -0.585
  128    HA   VAL  18           HA       VAL  18   4.645  -0.810  -0.107
  129    HB   VAL  18           HB       VAL  18   2.574   1.254   0.528
  130   HG11  VAL  18          HG11      VAL  18   2.069  -1.711   0.018
  131   HG12  VAL  18          HG12      VAL  18   0.904  -0.609   0.809
  132   HG13  VAL  18          HG13      VAL  18   1.360  -0.367  -0.884
  133   HG21  VAL  18          HG21      VAL  18   4.166   0.462   2.263
  134   HG22  VAL  18          HG22      VAL  18   2.484   0.038   2.653
  135   HG23  VAL  18          HG23      VAL  18   3.597  -1.196   1.991
  136    H    ASP  19           H        ASP  19   3.742  -2.056  -1.619
  137    HA   ASP  19           HA       ASP  19   2.890  -0.963  -4.235
  138    HB2  ASP  19           HB2      ASP  19   5.048  -1.012  -4.823
  139    HB3  ASP  19           HB3      ASP  19   5.515  -2.019  -3.450
  140    H    ASN  20           H        ASN  20   2.598  -2.892  -5.750
  141    HA   ASN  20           HA       ASN  20   1.411  -4.640  -6.417
  142    HB2  ASN  20           HB2      ASN  20   2.808  -5.843  -4.603
  143    HB3  ASN  20           HB3      ASN  20   1.299  -5.871  -3.681
  144   HD21  ASN  20          HD22      ASN  20   0.911  -8.111  -3.862
  145   HD22  ASN  20          HD21      ASN  20   0.530  -8.879  -5.390
  146    H    LEU  21           H        LEU  21  -0.571  -4.263  -7.041
  147    HA   LEU  21           HA       LEU  21  -2.757  -3.895  -5.045
  148    HB2  LEU  21           HB2      LEU  21  -2.419  -2.277  -7.589
  149    HB3  LEU  21           HB3      LEU  21  -3.688  -2.092  -6.369
  150    HG   LEU  21           HG       LEU  21  -0.731  -1.531  -5.964
  151   HD11  LEU  21          HD11      LEU  21  -1.951   0.030  -7.484
  152   HD12  LEU  21          HD12      LEU  21  -3.178   0.283  -6.221
  153   HD13  LEU  21          HD13      LEU  21  -1.505   0.826  -5.959
  154   HD21  LEU  21          HD21      LEU  21  -2.187  -2.287  -3.921
  155   HD22  LEU  21          HD22      LEU  21  -1.175  -0.843  -3.809
  156   HD23  LEU  21          HD23      LEU  21  -2.942  -0.687  -4.083
  157    H    THR  22           H        THR  22  -4.920  -3.887  -6.252
  158    HA   THR  22           HA       THR  22  -4.903  -5.692  -8.613
  159    HB   THR  22           HB       THR  22  -5.657  -6.930  -6.642
  160   HG21  THR  22          HG21      THR  22  -7.847  -6.340  -5.579
  161   HG22  THR  22          HG22      THR  22  -6.544  -5.212  -5.197
  162   HG23  THR  22          HG23      THR  22  -7.792  -4.765  -6.391
  163    H    TYR  23           H        TYR  23  -4.803  -2.789  -8.503
  164    HA   TYR  23           HA       TYR  23  -5.693  -1.028  -9.586
  165    HB2  TYR  23           HB2      TYR  23  -6.129  -1.798 -11.619
  166    HB3  TYR  23           HB3      TYR  23  -6.565  -3.379 -10.980
  167    HD1  TYR  23           HD2      TYR  23  -8.985  -3.757 -10.155
  168    HD2  TYR  23           HD1      TYR  23  -7.775  -0.425 -12.596
  169    HE1  TYR  23           HE2      TYR  23 -11.336  -3.412 -10.837
  170    HE2  TYR  23           HE1      TYR  23 -10.134  -0.071 -13.287
  171    HH   TYR  23           HH       TYR  23 -12.297  -0.789 -13.090
  172    H    ARG  24           H        ARG  24  -7.468  -2.686  -7.349
  173    HA   ARG  24           HA       ARG  24  -9.490  -0.492  -7.189
  174    HB2  ARG  24           HB2      ARG  24 -10.440  -2.452  -8.292
  175    HB3  ARG  24           HB3      ARG  24  -9.952  -3.485  -6.948
  176    HG2  ARG  24           HG2      ARG  24 -11.529  -2.335  -5.457
  177    HG3  ARG  24           HG3      ARG  24 -11.879  -1.124  -6.717
  178    HD2  ARG  24           HD2      ARG  24 -12.778  -2.909  -8.167
  179    HD3  ARG  24           HD3      ARG  24 -12.435  -4.118  -6.921
  180    HE   ARG  24           HE       ARG  24 -14.602  -2.127  -6.942
  181   HH11  ARG  24          HH11      ARG  24 -12.773  -4.480  -5.041
  182   HH12  ARG  24          HH12      ARG  24 -14.017  -4.627  -3.816
  183   HH21  ARG  24          HH21      ARG  24 -16.213  -2.358  -5.330
  184   HH22  ARG  24          HH22      ARG  24 -15.946  -3.433  -3.979
  185    H    THR  25           H        THR  25  -6.986  -2.123  -5.641
  186    HA   THR  25           HA       THR  25  -7.884  -2.245  -2.963
  187    HB   THR  25           HB       THR  25  -5.159  -1.582  -4.140
  188   HG21  THR  25          HG21      THR  25  -4.289  -2.277  -1.914
  189   HG22  THR  25          HG22      THR  25  -5.249  -0.788  -1.833
  190   HG23  THR  25          HG23      THR  25  -5.957  -2.335  -1.293
  191    H    SER  26           H        SER  26  -6.634   0.497  -4.866
  192    HA   SER  26           HA       SER  26  -6.702   2.713  -4.613
  193    HB2  SER  26           HB2      SER  26  -9.063   2.021  -2.836
  194    HB3  SER  26           HB3      SER  26  -8.701   3.653  -3.410
  195    HG   SER  26           HG       SER  26 -10.154   2.540  -4.789
  196    HA   PRO  27           HA       PRO  27  -4.255   4.180  -1.255
  197    HB2  PRO  27           HB2      PRO  27  -4.981   6.836  -1.200
  198    HB3  PRO  27           HB3      PRO  27  -3.880   6.104  -2.399
  199    HG2  PRO  27           HG2      PRO  27  -6.811   6.777  -2.644
  200    HG3  PRO  27           HG3      PRO  27  -5.516   6.976  -3.873
  201    HD2  PRO  27           HD2      PRO  27  -7.317   4.914  -3.879
  202    HD3  PRO  27           HD3      PRO  27  -5.647   4.716  -4.477
  203    H    ASP  28           H        ASP  28  -7.754   4.644  -1.170
  204    HA   ASP  28           HA       ASP  28  -7.957   5.711   1.474
  205    HB2  ASP  28           HB2      ASP  28  -9.801   4.080  -0.292
  206    HB3  ASP  28           HB3      ASP  28 -10.313   4.838   1.237
  207    H    THR  29           H        THR  29  -8.234   2.333   0.211
  208    HA   THR  29           HA       THR  29  -8.775   1.186   2.790
  209    HB   THR  29           HB       THR  29  -7.467  -0.118   0.377
  210   HG21  THR  29          HG21      THR  29  -8.603  -2.151   1.228
  211   HG22  THR  29          HG22      THR  29  -7.450  -1.495   2.404
  212   HG23  THR  29          HG23      THR  29  -9.192  -1.230   2.635
  213    H    LEU  30           H        LEU  30  -5.830   1.688   0.817
  214    HA   LEU  30           HA       LEU  30  -4.019   0.336   2.549
  215    HB2  LEU  30           HB2      LEU  30  -3.625   2.730   0.718
  216    HB3  LEU  30           HB3      LEU  30  -2.319   1.768   1.427
  217    HG   LEU  30           HG       LEU  30  -4.475   0.534  -0.332
  218   HD11  LEU  30          HD11      LEU  30  -1.753   1.657  -1.127
  219   HD12  LEU  30          HD12      LEU  30  -2.846   0.712  -2.177
  220   HD13  LEU  30          HD13      LEU  30  -3.345   2.308  -1.572
  221   HD21  LEU  30          HD21      LEU  30  -3.182  -1.025   1.076
  222   HD22  LEU  30          HD22      LEU  30  -2.741  -1.211  -0.633
  223   HD23  LEU  30          HD23      LEU  30  -1.657  -0.327   0.465
  224    H    ARG  31           H        ARG  31  -5.494   3.584   2.670
  225    HA   ARG  31           HA       ARG  31  -3.589   4.764   4.381
  226    HB2  ARG  31           HB2      ARG  31  -5.746   5.708   3.088
  227    HB3  ARG  31           HB3      ARG  31  -6.548   5.384   4.620
  228    HG2  ARG  31           HG2      ARG  31  -4.231   7.267   4.044
  229    HG3  ARG  31           HG3      ARG  31  -5.847   7.679   4.653
  230    HD2  ARG  31           HD2      ARG  31  -5.284   6.428   6.762
  231    HD3  ARG  31           HD3      ARG  31  -3.646   6.192   6.127
  232    HE   ARG  31           HE       ARG  31  -3.184   8.492   6.365
  233   HH11  ARG  31          HH11      ARG  31  -6.487   7.735   7.382
  234   HH12  ARG  31          HH12      ARG  31  -6.697   9.246   8.228
  235   HH21  ARG  31          HH21      ARG  31  -3.473  10.446   7.483
  236   HH22  ARG  31          HH22      ARG  31  -4.985  10.784   8.283
  237    H    ARG  32           H        ARG  32  -6.725   3.226   5.179
  238    HA   ARG  32           HA       ARG  32  -6.097   3.306   8.038
  239    HB2  ARG  32           HB2      ARG  32  -8.362   2.354   8.288
  240    HB3  ARG  32           HB3      ARG  32  -8.357   3.717   7.160
  241    HG2  ARG  32           HG2      ARG  32  -7.923   1.720   5.381
  242    HG3  ARG  32           HG3      ARG  32  -8.830   0.814   6.611
  243    HD2  ARG  32           HD2      ARG  32  -9.663   3.422   5.278
  244    HD3  ARG  32           HD3      ARG  32 -10.275   1.810   4.867
  245    HE   ARG  32           HE       ARG  32 -10.758   2.085   7.596
  246   HH11  ARG  32          HH11      ARG  32 -11.673   3.844   4.674
  247   HH12  ARG  32          HH12      ARG  32 -13.202   4.382   5.335
  248   HH21  ARG  32          HH21      ARG  32 -12.746   2.810   8.438
  249   HH22  ARG  32          HH22      ARG  32 -13.805   3.805   7.462
  250    H    VAL  33           H        VAL  33  -5.267   1.186   5.557
  251    HA   VAL  33           HA       VAL  33  -5.109  -1.210   7.278
  252    HB   VAL  33           HB       VAL  33  -4.517  -0.517   4.411
  253   HG11  VAL  33          HG11      VAL  33  -3.678  -3.088   5.810
  254   HG12  VAL  33          HG12      VAL  33  -3.744  -2.852   4.043
  255   HG13  VAL  33          HG13      VAL  33  -2.613  -1.900   5.030
  256   HG21  VAL  33          HG21      VAL  33  -6.823  -1.185   5.201
  257   HG22  VAL  33          HG22      VAL  33  -6.144  -2.341   4.031
  258   HG23  VAL  33          HG23      VAL  33  -6.146  -2.710   5.784
  259    H    PHE  34           H        PHE  34  -3.207   1.579   6.595
  260    HA   PHE  34           HA       PHE  34  -0.763   0.176   7.613
  261    HB2  PHE  34           HB2      PHE  34  -1.205   2.148   5.380
  262    HB3  PHE  34           HB3      PHE  34   0.318   2.168   6.241
  263    HD1  PHE  34           HD2      PHE  34   1.653   0.054   6.477
  264    HD2  PHE  34           HD1      PHE  34  -1.542   0.532   3.669
  265    HE1  PHE  34           HE2      PHE  34   2.560  -1.847   5.130
  266    HE2  PHE  34           HE1      PHE  34  -0.662  -1.345   2.312
  267    HZ   PHE  34           HZ       PHE  34   1.401  -2.554   3.067
  268    H    GLU  35           H        GLU  35  -2.630   3.255   7.584
  269    HA   GLU  35           HA       GLU  35  -0.809   4.445   9.365
  270    HB2  GLU  35           HB2      GLU  35  -2.303   6.277   9.497
  271    HB3  GLU  35           HB3      GLU  35  -2.662   5.549   7.937
  272    HG2  GLU  35           HG2      GLU  35  -4.771   5.947   8.784
  273    HG3  GLU  35           HG3      GLU  35  -4.510   4.243   9.196
  274    H    LYS  36           H        LYS  36  -3.146   1.988   9.776
  275    HA   LYS  36           HA       LYS  36  -4.139   2.461  12.353
  276    HB2  LYS  36           HB2      LYS  36  -4.674   0.077  12.352
  277    HB3  LYS  36           HB3      LYS  36  -5.012   0.787  10.763
  278    HG2  LYS  36           HG2      LYS  36  -2.683  -0.047  10.046
  279    HG3  LYS  36           HG3      LYS  36  -2.652  -0.954  11.572
  280    HD2  LYS  36           HD2      LYS  36  -4.564  -1.277   9.233
  281    HD3  LYS  36           HD3      LYS  36  -3.383  -2.454   9.849
  282    HE2  LYS  36           HE2      LYS  36  -4.710  -2.445  12.018
  283    HE3  LYS  36           HE3      LYS  36  -5.933  -1.480  11.163
  284    HZ1  LYS  36           HZ1      LYS  36  -6.160  -3.274   9.589
  285    HZ2  LYS  36           HZ2      LYS  36  -5.023  -4.168  10.369
  286    HZ3  LYS  36           HZ3      LYS  36  -6.449  -3.827  11.107
  287    H    TYR  37           H        TYR  37  -1.053   1.092  11.259
  288    HA   TYR  37           HA       TYR  37  -0.368   0.088  13.854
  289    HB2  TYR  37           HB2      TYR  37   1.304   0.711  11.392
  290    HB3  TYR  37           HB3      TYR  37   1.909  -0.152  12.817
  291    HD1  TYR  37           HD2      TYR  37   1.116  -2.402  13.375
  292    HD2  TYR  37           HD1      TYR  37  -0.194  -0.386   9.807
  293    HE1  TYR  37           HE2      TYR  37   0.273  -4.550  12.472
  294    HE2  TYR  37           HE1      TYR  37  -1.039  -2.511   8.901
  295    HH   TYR  37           HH       TYR  37  -1.295  -4.784   9.260
  296    H    GLY  38           H        GLY  38  -0.189   3.204  12.281
  297    HA2  GLY  38           HA2      GLY  38   0.518   4.526  14.725
  298    HA3  GLY  38           HA3      GLY  38   1.922   4.453  13.642
  299    H    ARG  39           H        ARG  39   1.405   5.152  11.275
  300    HA   ARG  39           HA       ARG  39  -0.848   6.860  10.797
  301    HB2  ARG  39           HB2      ARG  39   0.915   8.183  12.369
  302    HB3  ARG  39           HB3      ARG  39   1.750   8.395  10.820
  303    HG2  ARG  39           HG2      ARG  39   0.340  10.300  11.308
  304    HG3  ARG  39           HG3      ARG  39  -0.280   9.463   9.872
  305    HD2  ARG  39           HD2      ARG  39  -2.019   8.386  11.204
  306    HD3  ARG  39           HD3      ARG  39  -1.291   8.997  12.703
  307    HE   ARG  39           HE       ARG  39  -1.788  11.318  11.440
  308   HH11  ARG  39          HH11      ARG  39  -3.899   8.468  11.719
  309   HH12  ARG  39          HH12      ARG  39  -5.356   9.419  11.718
  310   HH21  ARG  39          HH21      ARG  39  -3.723  12.508  11.405
  311   HH22  ARG  39          HH22      ARG  39  -5.262  11.692  11.508
  312    H    VAL  40           H        VAL  40  -0.611   8.020   8.702
  313    HA   VAL  40           HA       VAL  40   1.462   6.837   6.924
  314    HB   VAL  40           HB       VAL  40  -1.532   7.100   6.434
  315   HG11  VAL  40          HG11      VAL  40  -0.425   7.879   4.402
  316   HG12  VAL  40          HG12      VAL  40   0.745   6.529   4.494
  317   HG13  VAL  40          HG13      VAL  40  -0.960   6.197   4.156
  318   HG21  VAL  40          HG21      VAL  40  -0.409   4.985   7.506
  319   HG22  VAL  40          HG22      VAL  40  -1.510   4.759   6.114
  320   HG23  VAL  40          HG23      VAL  40   0.244   4.716   5.879
  321    H    GLY  41           H        GLY  41   2.724   8.591   6.842
  322    HA2  GLY  41           HA2      GLY  41   1.938  11.299   6.743
  323    HA3  GLY  41           HA3      GLY  41   3.476  10.628   6.154
  324    H    ASP  42           H        ASP  42   2.041   8.836   4.194
  325    HA   ASP  42           HA       ASP  42   0.781  10.659   2.275
  326    HB2  ASP  42           HB2      ASP  42   3.574   9.496   1.971
  327    HB3  ASP  42           HB3      ASP  42   2.577   9.862   0.562
  328    H    VAL  43           H        VAL  43  -0.520   9.498   0.878
  329    HA   VAL  43           HA       VAL  43   0.031   6.651   0.442
  330    HB   VAL  43           HB       VAL  43  -1.585   7.214   2.538
  331   HG11  VAL  43          HG11      VAL  43  -3.528   6.864   0.246
  332   HG12  VAL  43          HG12      VAL  43  -3.911   6.832   1.973
  333   HG13  VAL  43          HG13      VAL  43  -3.333   8.343   1.243
  334   HG21  VAL  43          HG21      VAL  43  -1.757   4.897   0.624
  335   HG22  VAL  43          HG22      VAL  43  -0.813   5.050   2.142
  336   HG23  VAL  43          HG23      VAL  43  -2.567   4.960   2.216
  337    H    TYR  44           H        TYR  44   0.051   6.531  -1.720
  338    HA   TYR  44           HA       TYR  44  -2.289   7.531  -3.173
  339    HB2  TYR  44           HB2      TYR  44  -1.290   9.125  -4.492
  340    HB3  TYR  44           HB3      TYR  44  -0.573   9.471  -2.923
  341    HD1  TYR  44           HD2      TYR  44   1.826   8.907  -2.514
  342    HD2  TYR  44           HD1      TYR  44  -0.039   8.262  -6.331
  343    HE1  TYR  44           HE2      TYR  44   4.067   8.776  -3.592
  344    HE2  TYR  44           HE1      TYR  44   2.178   8.082  -7.405
  345    HH   TYR  44           HH       TYR  44   4.464   8.217  -7.107
  346    H    ILE  45           H        ILE  45  -2.126   7.027  -5.533
  347    HA   ILE  45           HA       ILE  45  -0.472   4.587  -6.010
  348    HB   ILE  45           HB       ILE  45  -3.385   5.147  -6.688
  349   HG12  ILE  45          HG12      ILE  45  -3.761   2.920  -5.770
  350   HG13  ILE  45          HG13      ILE  45  -2.036   2.728  -5.421
  351   HG21  ILE  45          HG21      ILE  45  -3.289   3.072  -8.053
  352   HG22  ILE  45          HG22      ILE  45  -2.213   4.315  -8.711
  353   HG23  ILE  45          HG23      ILE  45  -1.535   2.970  -7.770
  354   HD11  ILE  45          HD11      ILE  45  -3.622   4.993  -4.208
  355   HD12  ILE  45          HD12      ILE  45  -3.640   3.357  -3.494
  356   HD13  ILE  45          HD13      ILE  45  -2.114   4.234  -3.622
  357    HA   PRO  46           HA       PRO  46   0.910   7.345  -9.329
  358    HB2  PRO  46           HB2      PRO  46   2.929   5.743 -10.248
  359    HB3  PRO  46           HB3      PRO  46   3.020   6.697  -8.737
  360    HG2  PRO  46           HG2      PRO  46   2.295   3.774  -9.041
  361    HG3  PRO  46           HG3      PRO  46   3.463   4.535  -7.884
  362    HD2  PRO  46           HD2      PRO  46   0.914   3.872  -7.211
  363    HD3  PRO  46           HD3      PRO  46   1.749   5.313  -6.528
  364    H    ARG  47           H        ARG  47  -1.488   5.958  -9.762
  365    HA   ARG  47           HA       ARG  47  -1.449   4.048 -11.857
  366    HB2  ARG  47           HB2      ARG  47  -3.796   4.470 -12.092
  367    HB3  ARG  47           HB3      ARG  47  -3.409   4.527 -10.368
  368    HG2  ARG  47           HG2      ARG  47  -3.415   7.000 -10.458
  369    HG3  ARG  47           HG3      ARG  47  -3.712   6.929 -12.216
  370    HD2  ARG  47           HD2      ARG  47  -5.562   5.739 -10.124
  371    HD3  ARG  47           HD3      ARG  47  -5.777   7.343 -10.867
  372    HE   ARG  47           HE       ARG  47  -5.516   5.497 -12.975
  373   HH11  ARG  47          HH11      ARG  47  -7.764   6.156 -10.331
  374   HH12  ARG  47          HH12      ARG  47  -9.145   5.509 -11.185
  375   HH21  ARG  47          HH21      ARG  47  -7.302   4.657 -14.061
  376   HH22  ARG  47          HH22      ARG  47  -8.883   4.661 -13.313
  377    H    ASP  48           H        ASP  48  -2.771   4.559 -14.003
  378    HA   ASP  48           HA       ASP  48  -0.990   6.091 -15.603
  379    HB2  ASP  48           HB2      ASP  48  -3.774   5.034 -16.203
  380    HB3  ASP  48           HB3      ASP  48  -2.599   5.600 -17.403
  381    H    ARG  49           H        ARG  49  -1.726   7.815 -17.122
  382    HA   ARG  49           HA       ARG  49  -3.832   9.603 -16.126
  383    HB2  ARG  49           HB2      ARG  49  -2.233  11.545 -16.111
  384    HB3  ARG  49           HB3      ARG  49  -2.106  10.441 -14.753
  385    HG2  ARG  49           HG2      ARG  49  -0.234  10.253 -17.141
  386    HG3  ARG  49           HG3      ARG  49   0.054  11.330 -15.773
  387    HD2  ARG  49           HD2      ARG  49  -0.122   9.357 -14.224
  388    HD3  ARG  49           HD3      ARG  49  -0.160   8.294 -15.646
  389    HE   ARG  49           HE       ARG  49   2.087   9.930 -15.966
  390   HH11  ARG  49          HH11      ARG  49   0.907   7.520 -13.659
  391   HH12  ARG  49          HH12      ARG  49   2.506   6.966 -13.232
  392   HH21  ARG  49          HH21      ARG  49   4.167   9.190 -15.388
  393   HH22  ARG  49          HH22      ARG  49   4.348   7.914 -14.200
  394    H    TYR  50           H        TYR  50  -3.048   7.929 -18.521
  395    HA   TYR  50           HA       TYR  50  -3.843   9.908 -20.548
  396    HB2  TYR  50           HB2      TYR  50  -2.060   8.972 -22.091
  397    HB3  TYR  50           HB3      TYR  50  -1.493  10.033 -20.804
  398    HD1  TYR  50           HD2      TYR  50  -0.278   9.195 -18.885
  399    HD2  TYR  50           HD1      TYR  50  -1.382   6.614 -22.132
  400    HE1  TYR  50           HE2      TYR  50   1.288   7.478 -18.024
  401    HE2  TYR  50           HE1      TYR  50   0.209   4.893 -21.302
  402    HH   TYR  50           HH       TYR  50   1.742   4.335 -19.708
  403    H    THR  51           H        THR  51  -4.707   7.349 -18.960
  404    HA   THR  51           HA       THR  51  -6.009   6.039 -21.262
  405    HB   THR  51           HB       THR  51  -5.491   3.804 -20.400
  406   HG21  THR  51          HG21      THR  51  -2.917   5.390 -20.742
  407   HG22  THR  51          HG22      THR  51  -3.149   3.647 -21.003
  408   HG23  THR  51          HG23      THR  51  -3.934   4.811 -22.085
  409    H    LYS  52           H        LYS  52  -7.201   3.974 -19.742
  410    HA   LYS  52           HA       LYS  52  -8.844   5.507 -17.781
  411    HB2  LYS  52           HB2      LYS  52  -9.806   3.502 -19.868
  412    HB3  LYS  52           HB3      LYS  52 -10.784   4.197 -18.568
  413    HG2  LYS  52           HG2      LYS  52 -11.381   5.523 -20.329
  414    HG3  LYS  52           HG3      LYS  52 -10.135   6.515 -19.564
  415    HD2  LYS  52           HD2      LYS  52  -8.495   5.737 -21.269
  416    HD3  LYS  52           HD3      LYS  52  -9.740   4.674 -21.968
  417    HE2  LYS  52           HE2      LYS  52 -11.149   6.663 -22.446
  418    HE3  LYS  52           HE3      LYS  52  -9.897   7.708 -21.755
  419    HZ1  LYS  52           HZ1      LYS  52  -8.395   6.941 -23.458
  420    HZ2  LYS  52           HZ2      LYS  52  -9.549   5.957 -24.099
  421    HZ3  LYS  52           HZ3      LYS  52  -9.742   7.586 -24.146
  422    H    GLU  53           H        GLU  53  -6.525   3.864 -17.201
  423    HA   GLU  53           HA       GLU  53  -7.811   1.831 -15.476
  424    HB2  GLU  53           HB2      GLU  53  -6.163   0.139 -16.149
  425    HB3  GLU  53           HB3      GLU  53  -7.194   0.625 -17.496
  426    HG2  GLU  53           HG2      GLU  53  -5.404   2.121 -18.331
  427    HG3  GLU  53           HG3      GLU  53  -4.360   1.628 -16.984
  428    H    SER  54           H        SER  54  -5.446   0.740 -14.434
  429    HA   SER  54           HA       SER  54  -3.919   3.053 -13.401
  430    HB2  SER  54           HB2      SER  54  -4.350   2.306 -11.063
  431    HB3  SER  54           HB3      SER  54  -5.831   2.853 -11.886
  432    HG   SER  54           HG       SER  54  -6.163   0.903 -10.791
  433    H    ARG  55           H        ARG  55  -2.069   2.361 -12.070
  434    HA   ARG  55           HA       ARG  55  -0.673   0.123 -13.296
  435    HB2  ARG  55           HB2      ARG  55   0.053   1.986 -11.006
  436    HB3  ARG  55           HB3      ARG  55   1.141   0.789 -11.724
  437    HG2  ARG  55           HG2      ARG  55  -0.082   3.162 -13.205
  438    HG3  ARG  55           HG3      ARG  55   1.582   3.022 -12.617
  439    HD2  ARG  55           HD2      ARG  55   1.776   2.494 -14.866
  440    HD3  ARG  55           HD3      ARG  55   1.723   0.903 -14.099
  441    HE   ARG  55           HE       ARG  55  -0.810   2.124 -15.094
  442   HH11  ARG  55          HH11      ARG  55   1.710  -0.312 -15.579
  443   HH12  ARG  55          HH12      ARG  55   0.763  -1.213 -16.742
  444   HH21  ARG  55          HH21      ARG  55  -1.990   0.971 -16.563
  445   HH22  ARG  55          HH22      ARG  55  -1.363  -0.491 -17.296
  446    H    GLY  56           H        GLY  56   0.664  -1.297 -11.676
  447    HA2  GLY  56           HA2      GLY  56  -1.383  -2.776 -10.110
  448    HA3  GLY  56           HA3      GLY  56   0.090  -3.445 -10.829
  449    H    PHE  57           H        PHE  57   0.422  -0.371  -9.152
  450    HA   PHE  57           HA       PHE  57   1.133  -1.633  -6.590
  451    HB2  PHE  57           HB2      PHE  57   3.354  -0.965  -6.581
  452    HB3  PHE  57           HB3      PHE  57   3.142  -1.797  -8.125
  453    HD1  PHE  57           HD1      PHE  57   2.566  -0.145 -10.173
  454    HD2  PHE  57           HD2      PHE  57   4.455   1.021  -6.495
  455    HE1  PHE  57           HE1      PHE  57   3.498   1.871 -11.289
  456    HE2  PHE  57           HE2      PHE  57   5.402   3.029  -7.614
  457    HZ   PHE  57           HZ       PHE  57   4.882   3.481  -9.997
  458    H    ALA  58           H        ALA  58   1.494  -0.101  -4.928
  459    HA   ALA  58           HA       ALA  58   0.242   2.555  -5.445
  460    HB1  ALA  58           HB1      ALA  58   0.391   0.826  -2.943
  461    HB2  ALA  58           HB2      ALA  58  -0.318   2.452  -3.016
  462    HB3  ALA  58           HB3      ALA  58  -1.064   1.142  -3.933
  463    H    PHE  59           H        PHE  59   1.020   3.700  -3.042
  464    HA   PHE  59           HA       PHE  59   3.883   3.543  -2.577
  465    HB2  PHE  59           HB2      PHE  59   3.181   4.927  -4.845
  466    HB3  PHE  59           HB3      PHE  59   2.968   6.197  -3.664
  467    HD1  PHE  59           HD2      PHE  59   5.311   5.645  -1.803
  468    HD2  PHE  59           HD1      PHE  59   4.992   5.404  -6.085
  469    HE1  PHE  59           HE2      PHE  59   7.730   6.119  -2.012
  470    HE2  PHE  59           HE1      PHE  59   7.411   5.848  -6.299
  471    HZ   PHE  59           HZ       PHE  59   8.791   6.231  -4.262
  472    H    VAL  60           H        VAL  60   2.411   2.913  -0.707
  473    HA   VAL  60           HA       VAL  60   1.615   5.407   0.669
  474    HB   VAL  60           HB       VAL  60   0.960   4.345   2.417
  475   HG11  VAL  60          HG11      VAL  60  -0.325   3.328   0.665
  476   HG12  VAL  60          HG12      VAL  60   0.813   1.990   0.515
  477   HG13  VAL  60          HG13      VAL  60  -0.116   2.202   2.018
  478   HG21  VAL  60          HG21      VAL  60   2.919   3.640   3.403
  479   HG22  VAL  60          HG22      VAL  60   1.809   2.278   3.463
  480   HG23  VAL  60          HG23      VAL  60   3.150   2.304   2.265
  481    H    ARG  61           H        ARG  61   2.932   6.702   1.922
  482    HA   ARG  61           HA       ARG  61   5.674   5.703   2.476
  483    HB2  ARG  61           HB2      ARG  61   6.254   7.026   0.735
  484    HB3  ARG  61           HB3      ARG  61   4.847   8.108   0.899
  485    HG2  ARG  61           HG2      ARG  61   5.888   9.160   2.885
  486    HG3  ARG  61           HG3      ARG  61   7.274   8.043   2.745
  487    HD2  ARG  61           HD2      ARG  61   7.908  10.115   1.718
  488    HD3  ARG  61           HD3      ARG  61   7.653   8.923   0.430
  489    HE   ARG  61           HE       ARG  61   5.626  10.991   1.215
  490   HH11  ARG  61          HH11      ARG  61   7.329   9.149  -1.283
  491   HH12  ARG  61          HH12      ARG  61   6.466   9.916  -2.594
  492   HH21  ARG  61          HH21      ARG  61   4.529  11.973  -0.516
  493   HH22  ARG  61          HH22      ARG  61   4.876  11.493  -2.160
  494    H    PHE  62           H        PHE  62   6.480   5.989   4.216
  495    HA   PHE  62           HA       PHE  62   4.738   7.270   6.301
  496    HB2  PHE  62           HB2      PHE  62   6.717   5.008   6.396
  497    HB3  PHE  62           HB3      PHE  62   6.272   5.914   7.838
  498    HD1  PHE  62           HD2      PHE  62   3.944   5.036   5.014
  499    HD2  PHE  62           HD1      PHE  62   5.130   4.353   9.095
  500    HE1  PHE  62           HE2      PHE  62   1.881   3.762   5.379
  501    HE2  PHE  62           HE1      PHE  62   3.094   2.992   9.450
  502    HZ   PHE  62           HZ       PHE  62   1.477   2.695   7.639
  503    H    HIS  63           H        HIS  63   5.476   8.750   7.642
  504    HA   HIS  63           HA       HIS  63   7.850  10.293   6.888
  505    HB2  HIS  63           HB2      HIS  63   6.794  11.893   8.526
  506    HB3  HIS  63           HB3      HIS  63   5.728  11.423   7.195
  507    HD2  HIS  63           HD2      HIS  63   3.431  11.802   8.562
  508    HE1  HIS  63           HE1      HIS  63   4.036   8.767  11.480
  509    HE2  HIS  63           HE2      HIS  63   2.362  10.445  10.516
  510    H    ASP  64           H        ASP  64   7.197   7.732   8.993
  511    HA   ASP  64           HA       ASP  64   9.538   8.375  10.663
  512    HB2  ASP  64           HB2      ASP  64   7.532   9.269  11.835
  513    HB3  ASP  64           HB3      ASP  64   6.842   7.636  11.860
  514    H    LYS  65           H        LYS  65  10.800   6.672  10.408
  515    HA   LYS  65           HA       LYS  65  10.090   4.222   9.292
  516    HB2  LYS  65           HB2      LYS  65  12.303   3.503   9.902
  517    HB3  LYS  65           HB3      LYS  65  12.339   5.211   9.426
  518    HG2  LYS  65           HG2      LYS  65  12.092   5.700  11.986
  519    HG3  LYS  65           HG3      LYS  65  12.591   4.005  12.194
  520    HD2  LYS  65           HD2      LYS  65  14.119   6.212  10.750
  521    HD3  LYS  65           HD3      LYS  65  14.533   5.509  12.322
  522    HE2  LYS  65           HE2      LYS  65  14.935   3.326  11.266
  523    HE3  LYS  65           HE3      LYS  65  14.407   3.969   9.701
  524    HZ1  LYS  65           HZ1      LYS  65  16.238   5.483   9.748
  525    HZ2  LYS  65           HZ2      LYS  65  16.733   4.946  11.227
  526    HZ3  LYS  65           HZ3      LYS  65  16.804   3.957   9.912
  527    H    ARG  66           H        ARG  66   9.752   5.227  12.680
  528    HA   ARG  66           HA       ARG  66   9.804   2.561  13.785
  529    HB2  ARG  66           HB2      ARG  66   8.470   5.128  14.737
  530    HB3  ARG  66           HB3      ARG  66   8.658   3.675  15.724
  531    HG2  ARG  66           HG2      ARG  66  10.929   5.321  14.539
  532    HG3  ARG  66           HG3      ARG  66  10.403   5.355  16.229
  533    HD2  ARG  66           HD2      ARG  66  11.543   2.930  14.764
  534    HD3  ARG  66           HD3      ARG  66  12.422   3.942  15.910
  535    HE   ARG  66           HE       ARG  66  10.394   1.921  16.525
  536   HH11  ARG  66          HH11      ARG  66  12.213   4.712  17.724
  537   HH12  ARG  66          HH12      ARG  66  11.979   4.292  19.404
  538   HH21  ARG  66          HH21      ARG  66  10.100   1.401  18.721
  539   HH22  ARG  66          HH22      ARG  66  10.795   2.417  19.965
  540    H    ASP  67           H        ASP  67   7.114   4.747  12.790
  541    HA   ASP  67           HA       ASP  67   5.076   2.789  13.285
  542    HB2  ASP  67           HB2      ASP  67   5.117   5.184  11.402
  543    HB3  ASP  67           HB3      ASP  67   3.674   4.279  11.882
  544    H    ALA  68           H        ALA  68   7.315   3.396  10.612
  545    HA   ALA  68           HA       ALA  68   5.835   1.806   8.690
  546    HB1  ALA  68           HB1      ALA  68   7.337   3.666   8.051
  547    HB2  ALA  68           HB2      ALA  68   8.716   2.799   8.770
  548    HB3  ALA  68           HB3      ALA  68   7.902   2.126   7.351
  549    H    GLU  69           H        GLU  69   8.494   1.226  11.037
  550    HA   GLU  69           HA       GLU  69   9.404  -1.262  10.048
  551    HB2  GLU  69           HB2      GLU  69   9.384   0.167  12.702
  552    HB3  GLU  69           HB3      GLU  69   9.764  -1.550  12.676
  553    HG2  GLU  69           HG2      GLU  69  11.544  -1.120  10.988
  554    HG3  GLU  69           HG3      GLU  69  11.168   0.597  11.012
  555    H    ASP  70           H        ASP  70   6.853  -0.521  12.516
  556    HA   ASP  70           HA       ASP  70   6.338  -3.342  12.895
  557    HB2  ASP  70           HB2      ASP  70   4.562  -0.974  13.576
  558    HB3  ASP  70           HB3      ASP  70   4.455  -2.631  14.212
  559    H    ALA  71           H        ALA  71   4.711  -0.750  10.985
  560    HA   ALA  71           HA       ALA  71   2.523  -2.331  10.142
  561    HB1  ALA  71           HB1      ALA  71   3.931  -0.085   8.636
  562    HB2  ALA  71           HB2      ALA  71   2.259  -0.655   8.386
  563    HB3  ALA  71           HB3      ALA  71   2.700   0.154   9.894
  564    H    MET  72           H        MET  72   5.745  -1.776   8.605
  565    HA   MET  72           HA       MET  72   5.261  -3.379   6.304
  566    HB2  MET  72           HB2      MET  72   7.036  -1.760   6.361
  567    HB3  MET  72           HB3      MET  72   7.756  -2.498   7.806
  568    HG2  MET  72           HG2      MET  72   8.527  -4.381   6.647
  569    HG3  MET  72           HG3      MET  72   7.539  -4.046   5.223
  570    HE1  MET  72           HE1      MET  72   9.279  -1.033   6.992
  571    HE2  MET  72           HE2      MET  72  10.288  -2.395   7.538
  572    HE3  MET  72           HE3      MET  72  10.961  -1.161   6.440
  573    H    ASP  73           H        ASP  73   6.668  -4.194   9.522
  574    HA   ASP  73           HA       ASP  73   7.197  -6.917   8.724
  575    HB2  ASP  73           HB2      ASP  73   8.399  -5.587  10.509
  576    HB3  ASP  73           HB3      ASP  73   6.982  -5.821  11.547
  577    H    ALA  74           H        ALA  74   4.304  -5.331   9.230
  578    HA   ALA  74           HA       ALA  74   2.954  -7.887   9.958
  579    HB1  ALA  74           HB1      ALA  74   1.262  -6.508  11.118
  580    HB2  ALA  74           HB2      ALA  74   2.877  -6.267  11.816
  581    HB3  ALA  74           HB3      ALA  74   2.187  -5.042  10.730
  582    H    MET  75           H        MET  75   3.592  -6.018   7.376
  583    HA   MET  75           HA       MET  75   0.899  -6.505   6.194
  584    HB2  MET  75           HB2      MET  75   2.538  -3.952   6.095
  585    HB3  MET  75           HB3      MET  75   1.315  -4.327   4.899
  586    HG2  MET  75           HG2      MET  75   0.828  -4.146   7.898
  587    HG3  MET  75           HG3      MET  75   0.403  -2.919   6.700
  588    HE1  MET  75           HE1      MET  75  -0.460  -5.206   4.328
  589    HE2  MET  75           HE2      MET  75  -2.205  -4.912   4.488
  590    HE3  MET  75           HE3      MET  75  -1.058  -3.546   4.541
  591    H    ASP  76           H        ASP  76   4.413  -6.606   5.799
  592    HA   ASP  76           HA       ASP  76   4.425  -6.782   2.958
  593    HB2  ASP  76           HB2      ASP  76   6.440  -6.435   4.337
  594    HB3  ASP  76           HB3      ASP  76   6.253  -8.055   5.028
  595    H    GLY  77           H        GLY  77   3.465  -8.265   1.700
  596    HA2  GLY  77           HA2      GLY  77   2.607 -10.202   0.921
  597    HA3  GLY  77           HA3      GLY  77   3.631 -11.080   2.084
  598    H    ALA  78           H        ALA  78   1.226  -8.662   3.045
  599    HA   ALA  78           HA       ALA  78  -0.041 -10.663   4.768
  600    HB1  ALA  78           HB1      ALA  78  -0.494  -7.669   4.470
  601    HB2  ALA  78           HB2      ALA  78  -1.188  -8.706   5.740
  602    HB3  ALA  78           HB3      ALA  78   0.566  -8.474   5.657
  603    H    VAL  79           H        VAL  79  -0.508  -9.924   1.613
  604    HA   VAL  79           HA       VAL  79  -2.328  -9.791   0.203
  605    HB   VAL  79           HB       VAL  79  -1.608 -12.029   0.121
  606   HG11  VAL  79          HG11      VAL  79  -3.296 -12.589   2.580
  607   HG12  VAL  79          HG12      VAL  79  -2.475 -13.815   1.584
  608   HG13  VAL  79          HG13      VAL  79  -1.511 -12.611   2.458
  609   HG21  VAL  79          HG21      VAL  79  -3.549 -11.535  -1.086
  610   HG22  VAL  79          HG22      VAL  79  -3.485 -13.233  -0.575
  611   HG23  VAL  79          HG23      VAL  79  -4.595 -12.123   0.251
  612    H    LEU  80           H        LEU  80  -3.309  -7.925   1.373
  613    HA   LEU  80           HA       LEU  80  -5.674  -8.462   2.936
  614    HB2  LEU  80           HB2      LEU  80  -6.064  -6.062   2.815
  615    HB3  LEU  80           HB3      LEU  80  -4.413  -6.454   3.278
  616    HG   LEU  80           HG       LEU  80  -3.713  -6.023   0.878
  617   HD11  LEU  80          HD11      LEU  80  -5.224  -4.453  -0.392
  618   HD12  LEU  80          HD12      LEU  80  -5.815  -6.118  -0.336
  619   HD13  LEU  80          HD13      LEU  80  -6.540  -4.893   0.731
  620   HD21  LEU  80          HD21      LEU  80  -3.347  -4.414   2.674
  621   HD22  LEU  80          HD22      LEU  80  -3.779  -3.567   1.173
  622   HD23  LEU  80          HD23      LEU  80  -5.001  -3.775   2.457
  623    H    ASP  81           H        ASP  81  -5.176  -8.987  -0.353
  624    HA   ASP  81           HA       ASP  81  -8.111  -8.770  -0.781
  625    HB2  ASP  81           HB2      ASP  81  -7.159  -6.792  -1.843
  626    HB3  ASP  81           HB3      ASP  81  -5.963  -7.775  -2.690
  627    H    GLY  82           H        GLY  82  -4.994 -10.238  -1.761
  628    HA2  GLY  82           HA2      GLY  82  -5.220 -12.751  -1.851
  629    HA3  GLY  82           HA3      GLY  82  -6.515 -12.491  -3.048
  630    H    ARG  83           H        ARG  83  -3.556 -10.582  -2.793
  631    HA   ARG  83           HA       ARG  83  -2.376 -11.918  -5.188
  632    HB2  ARG  83           HB2      ARG  83  -1.811  -9.509  -5.929
  633    HB3  ARG  83           HB3      ARG  83  -3.485 -10.047  -6.154
  634    HG2  ARG  83           HG2      ARG  83  -4.279  -8.820  -4.294
  635    HG3  ARG  83           HG3      ARG  83  -2.650  -8.660  -3.592
  636    HD2  ARG  83           HD2      ARG  83  -1.986  -7.172  -5.389
  637    HD3  ARG  83           HD3      ARG  83  -3.587  -7.342  -6.153
  638    HE   ARG  83           HE       ARG  83  -4.462  -5.850  -4.613
  639   HH11  ARG  83          HH11      ARG  83  -1.388  -7.076  -3.402
  640   HH12  ARG  83          HH12      ARG  83  -1.337  -5.953  -2.055
  641   HH21  ARG  83          HH21      ARG  83  -4.359  -4.385  -2.877
  642   HH22  ARG  83          HH22      ARG  83  -3.019  -4.428  -1.762
  643    H    GLU  84           H        GLU  84  -1.979 -10.105  -2.220
  644    HA   GLU  84           HA       GLU  84  -0.419 -10.617  -0.632
  645    HB2  GLU  84           HB2      GLU  84   0.568 -12.347  -2.589
  646    HB3  GLU  84           HB3      GLU  84   1.934 -11.271  -2.202
  647    HG2  GLU  84           HG2      GLU  84   1.356 -11.730   0.265
  648    HG3  GLU  84           HG3      GLU  84   0.230 -12.949  -0.315
  649    H    LEU  85           H        LEU  85  -0.528  -8.547  -0.091
  650    HA   LEU  85           HA       LEU  85   0.442  -6.275  -1.317
  651    HB2  LEU  85           HB2      LEU  85  -0.868  -6.920   0.945
  652    HB3  LEU  85           HB3      LEU  85   0.709  -6.667   1.660
  653    HG   LEU  85           HG       LEU  85  -0.740  -4.714   1.854
  654   HD11  LEU  85          HD11      LEU  85   1.370  -4.002  -0.200
  655   HD12  LEU  85          HD12      LEU  85   0.710  -3.000   1.098
  656   HD13  LEU  85          HD13      LEU  85   1.749  -4.391   1.506
  657   HD21  LEU  85          HD21      LEU  85  -0.686  -4.505  -1.181
  658   HD22  LEU  85          HD22      LEU  85  -2.065  -5.113  -0.226
  659   HD23  LEU  85          HD23      LEU  85  -1.513  -3.435  -0.028
  660    H    ARG  86           H        ARG  86   2.396  -4.992  -0.988
  661    HA   ARG  86           HA       ARG  86   4.786  -6.525  -0.072
  662    HB2  ARG  86           HB2      ARG  86   4.483  -4.771  -2.533
  663    HB3  ARG  86           HB3      ARG  86   6.019  -5.423  -1.935
  664    HG2  ARG  86           HG2      ARG  86   3.636  -7.093  -2.848
  665    HG3  ARG  86           HG3      ARG  86   5.076  -6.742  -3.813
  666    HD2  ARG  86           HD2      ARG  86   6.502  -7.843  -2.119
  667    HD3  ARG  86           HD3      ARG  86   5.071  -8.194  -1.132
  668    HE   ARG  86           HE       ARG  86   5.414  -9.292  -3.903
  669   HH11  ARG  86          HH11      ARG  86   4.630  -9.735  -0.480
  670   HH12  ARG  86          HH12      ARG  86   4.212 -11.427  -0.698
  671   HH21  ARG  86          HH21      ARG  86   4.862 -11.497  -4.116
  672   HH22  ARG  86          HH22      ARG  86   4.325 -12.395  -2.712
  673    H    VAL  87           H        VAL  87   6.137  -5.378   1.242
  674    HA   VAL  87           HA       VAL  87   5.784  -2.431   1.360
  675    HB   VAL  87           HB       VAL  87   5.883  -4.190   3.839
  676   HG11  VAL  87          HG11      VAL  87   6.674  -1.959   4.170
  677   HG12  VAL  87          HG12      VAL  87   5.328  -1.249   3.264
  678   HG13  VAL  87          HG13      VAL  87   5.018  -2.011   4.835
  679   HG21  VAL  87          HG21      VAL  87   3.799  -4.768   2.794
  680   HG22  VAL  87          HG22      VAL  87   3.462  -3.645   4.119
  681   HG23  VAL  87          HG23      VAL  87   3.430  -3.075   2.434
  682    H    GLN  88           H        GLN  88   7.581  -1.322   1.708
  683    HA   GLN  88           HA       GLN  88  10.054  -2.379   2.776
  684    HB2  GLN  88           HB2      GLN  88  11.282  -2.164   0.586
  685    HB3  GLN  88           HB3      GLN  88  10.232  -3.591   0.703
  686    HG2  GLN  88           HG2      GLN  88   8.502  -2.507  -0.617
  687    HG3  GLN  88           HG3      GLN  88   9.427  -1.003  -0.666
  688   HE21  GLN  88          HE22      GLN  88   8.459  -2.642  -2.914
  689   HE22  GLN  88          HE21      GLN  88   9.881  -3.117  -3.822
  690    H    MET  89           H        MET  89  11.593  -0.769   3.049
  691    HA   MET  89           HA       MET  89  10.796   1.890   3.292
  692    HB2  MET  89           HB2      MET  89  13.501   0.577   2.949
  693    HB3  MET  89           HB3      MET  89  13.311   2.316   3.292
  694    HG2  MET  89           HG2      MET  89  11.902   0.212   4.949
  695    HG3  MET  89           HG3      MET  89  13.564   0.678   5.300
  696    HE1  MET  89           HE1      MET  89  11.993   0.920   7.675
  697    HE2  MET  89           HE2      MET  89  10.895   2.300   7.943
  698    HE3  MET  89           HE3      MET  89  10.418   0.984   6.851
  699    H    ALA  90           H        ALA  90  10.769   3.656   2.019
  700    HA   ALA  90           HA       ALA  90  10.784   3.319  -0.863
  701    HB1  ALA  90           HB1      ALA  90   9.168   4.800   0.251
  702    HB2  ALA  90           HB2      ALA  90  10.497   5.762   0.939
  703    HB3  ALA  90           HB3      ALA  90  10.212   5.745  -0.820
  704    H    ARG  91           H        ARG  91  13.251   4.006   1.445
  705    HA   ARG  91           HA       ARG  91  15.378   4.783   1.270
  706    HB2  ARG  91           HB2      ARG  91  15.402   2.805  -0.213
  707    HB3  ARG  91           HB3      ARG  91  15.044   3.818  -1.600
  708    HG2  ARG  91           HG2      ARG  91  17.389   4.821  -0.138
  709    HG3  ARG  91           HG3      ARG  91  17.581   3.117  -0.600
  710    HD2  ARG  91           HD2      ARG  91  17.021   3.615  -2.923
  711    HD3  ARG  91           HD3      ARG  91  16.709   5.306  -2.530
  712    HE   ARG  91           HE       ARG  91  19.314   3.988  -2.836
  713   HH11  ARG  91          HH11      ARG  91  17.596   6.815  -1.588
  714   HH12  ARG  91          HH12      ARG  91  19.018   7.838  -1.626
  715   HH21  ARG  91          HH21      ARG  91  21.159   5.347  -2.850
  716   HH22  ARG  91          HH22      ARG  91  21.019   7.006  -2.329
  717    H    TYR  92           H        TYR  92  13.156   6.717   0.697
  718    HA   TYR  92           HA       TYR  92  14.739   8.722  -0.836
  719    HB2  TYR  92           HB2      TYR  92  11.728   8.330  -0.812
  720    HB3  TYR  92           HB3      TYR  92  12.587   9.629  -1.634
  721    HD1  TYR  92           HD2      TYR  92  14.906   8.108  -2.800
  722    HD2  TYR  92           HD1      TYR  92  10.714   7.181  -2.587
  723    HE1  TYR  92           HE2      TYR  92  15.124   6.681  -4.822
  724    HE2  TYR  92           HE1      TYR  92  10.931   5.724  -4.582
  725    HH   TYR  92           HH       TYR  92  12.342   4.882  -6.181
  726    H    GLY  93           H        GLY  93  14.637   8.122   2.079
  727    HA2  GLY  93           HA2      GLY  93  14.376  10.891   2.934
  728    HA3  GLY  93           HA3      GLY  93  13.172   9.827   3.664
  729    H    ARG  94           H        ARG  94  14.901  11.067   5.336
  730    HA   ARG  94           HA       ARG  94  16.626   8.904   6.371
  731    HB2  ARG  94           HB2      ARG  94  17.501  11.753   5.709
  732    HB3  ARG  94           HB3      ARG  94  18.437  10.670   6.728
  733    HG2  ARG  94           HG2      ARG  94  17.705  10.088   3.828
  734    HG3  ARG  94           HG3      ARG  94  19.235  10.789   4.365
  735    HD2  ARG  94           HD2      ARG  94  18.190   8.083   5.287
  736    HD3  ARG  94           HD3      ARG  94  19.347   8.317   3.975
  737    HE   ARG  94           HE       ARG  94  19.868   8.534   6.849
  738   HH11  ARG  94          HH11      ARG  94  20.997   9.405   3.611
  739   HH12  ARG  94          HH12      ARG  94  22.648   9.658   4.150
  740   HH21  ARG  94          HH21      ARG  94  22.045   8.860   7.487
  741   HH22  ARG  94          HH22      ARG  94  23.226   9.356   6.292
  742    HA   PRO  95           HA       PRO  95  15.281  10.277  10.383
  743    HB2  PRO  95           HB2      PRO  95  18.211  10.421  11.046
  744    HB3  PRO  95           HB3      PRO  95  16.902   9.618  11.955
  745    HG2  PRO  95           HG2      PRO  95  18.611   8.160  10.429
  746    HG3  PRO  95           HG3      PRO  95  16.856   7.778  10.434
  747    HD2  PRO  95           HD2      PRO  95  18.439   9.308   8.363
  748    HD3  PRO  95           HD3      PRO  95  17.136   8.100   8.152
  749    HA   PRO  96           HA       PRO  96  15.707  14.658  10.505
  750    HB2  PRO  96           HB2      PRO  96  15.435  15.325  13.147
  751    HB3  PRO  96           HB3      PRO  96  14.107  14.604  12.189
  752    HG2  PRO  96           HG2      PRO  96  16.050  13.173  14.012
  753    HG3  PRO  96           HG3      PRO  96  14.260  13.052  14.002
  754    HD2  PRO  96           HD2      PRO  96  15.828  11.235  12.722
  755    HD3  PRO  96           HD3      PRO  96  14.280  11.777  11.999
  756    H    ASP  97           H        ASP  97  18.168  12.700  11.773
  757    HA   ASP  97           HA       ASP  97  20.091  14.939  11.699
  758    HB2  ASP  97           HB2      ASP  97  19.747  13.047  14.062
  759    HB3  ASP  97           HB3      ASP  97  21.153  14.091  13.798
  760    H    SER  98           H        SER  98  22.382  14.033  11.727
  761    HA   SER  98           HA       SER  98  22.708  11.207  11.121
  762    HB2  SER  98           HB2      SER  98  21.816  12.107   8.985
  763    HB3  SER  98           HB3      SER  98  23.163  13.260   8.923
  764    HG   SER  98           HG       SER  98  23.531  11.293   7.738
  765    H    HIS  99           H        HIS  99  25.034  10.821  10.401
  766    HA   HIS  99           HA       HIS  99  26.976  12.823  11.382
  767    HB2  HIS  99           HB2      HIS  99  26.774   9.967  12.418
  768    HB3  HIS  99           HB3      HIS  99  28.062  11.111  12.804
  769    HD2  HIS  99           HD2      HIS  99  27.353  13.315  14.311
  770    HE1  HIS  99           HE1      HIS  99  23.793  11.588  15.867
  771    HE2  HIS  99           HE2      HIS  99  25.466  13.493  16.118
  772    H    HIS 100           H        HIS 100  26.004  11.115   8.866
  773    HA   HIS 100           HA       HIS 100  28.742  10.625   7.877
  774    HB2  HIS 100           HB2      HIS 100  27.885   8.496   8.906
  775    HB3  HIS 100           HB3      HIS 100  26.542   8.527   7.766
  776    HD2  HIS 100           HD2      HIS 100  26.938   7.074   5.676
  777    HE1  HIS 100           HE1      HIS 100  31.184   7.138   5.502
  778    HE2  HIS 100           HE2      HIS 100  29.073   6.211   4.427
  779    H    SER 101           H        SER 101  25.927  12.196   7.453
  780    HA   SER 101           HA       SER 101  26.254  12.302   4.517
  781    HB2  SER 101           HB2      SER 101  23.559  11.899   5.880
  782    HB3  SER 101           HB3      SER 101  23.855  12.099   4.142
  783    HG   SER 101           HG       SER 101  25.164  10.175   4.295
  Start of MODEL   19
    1    H    MET   1           H1       MET   1  -2.317  -9.620   9.896
    2    HA   MET   1           HA       MET   1  -0.150  -8.909   9.237
    3    HB2  MET   1           HB2      MET   1  -0.229  -9.957  12.100
    4    HB3  MET   1           HB3      MET   1   0.878  -8.721  11.468
    5    HG2  MET   1           HG2      MET   1  -1.093  -7.308  10.877
    6    HG3  MET   1           HG3      MET   1  -2.154  -8.521  11.606
    7    HE1  MET   1           HE1      MET   1  -3.314  -6.748  13.114
    8    HE2  MET   1           HE2      MET   1  -2.439  -5.591  14.138
    9    HE3  MET   1           HE3      MET   1  -2.297  -5.483  12.371
   10    H    SER   2           H        SER   2   1.587  -9.669   8.148
   11    HA   SER   2           HA       SER   2   3.109 -11.940   9.202
   12    HB2  SER   2           HB2      SER   2   2.914 -13.209   7.054
   13    HB3  SER   2           HB3      SER   2   1.399 -13.151   7.980
   14    HG   SER   2           HG       SER   2   1.137 -12.687   5.738
   15    H    TYR   3           H        TYR   3   4.768 -12.579   7.387
   16    HA   TYR   3           HA       TYR   3   5.657 -10.374   5.666
   17    HB2  TYR   3           HB2      TYR   3   7.913 -10.415   6.562
   18    HB3  TYR   3           HB3      TYR   3   6.779  -9.940   7.822
   19    HD1  TYR   3           HD1      TYR   3   6.232 -11.510   9.682
   20    HD2  TYR   3           HD2      TYR   3   9.183 -12.460   6.698
   21    HE1  TYR   3           HE1      TYR   3   7.113 -13.316  11.131
   22    HE2  TYR   3           HE2      TYR   3  10.079 -14.257   8.141
   23    HH   TYR   3           HH       TYR   3   8.667 -15.000  11.356
   24    H    GLY   4           H        GLY   4   7.576 -11.229   4.330
   25    HA2  GLY   4           HA2      GLY   4   7.529 -14.177   4.037
   26    HA3  GLY   4           HA3      GLY   4   7.071 -13.168   2.631
   27    H    ARG   5           H        ARG   5   9.311 -11.599   4.506
   28    HA   ARG   5           HA       ARG   5  11.770 -12.854   3.553
   29    HB2  ARG   5           HB2      ARG   5  12.519 -10.833   2.271
   30    HB3  ARG   5           HB3      ARG   5  11.153 -11.670   1.545
   31    HG2  ARG   5           HG2      ARG   5  10.513  -9.470   1.323
   32    HG3  ARG   5           HG3      ARG   5   9.658  -9.934   2.796
   33    HD2  ARG   5           HD2      ARG   5  11.632  -8.960   4.102
   34    HD3  ARG   5           HD3      ARG   5  12.253  -8.353   2.561
   35    HE   ARG   5           HE       ARG   5  10.465  -6.795   2.470
   36   HH11  ARG   5          HH11      ARG   5  10.238  -8.887   5.327
   37   HH12  ARG   5          HH12      ARG   5   9.046  -7.877   6.106
   38   HH21  ARG   5          HH21      ARG   5   8.884  -5.529   3.506
   39   HH22  ARG   5          HH22      ARG   5   8.283  -5.998   5.080
   40    HA   PRO   6           HA       PRO   6  13.126 -11.040   7.283
   41    HB2  PRO   6           HB2      PRO   6  15.809 -10.593   6.884
   42    HB3  PRO   6           HB3      PRO   6  15.094 -12.233   7.018
   43    HG2  PRO   6           HG2      PRO   6  15.739 -10.662   4.503
   44    HG3  PRO   6           HG3      PRO   6  16.176 -12.362   4.884
   45    HD2  PRO   6           HD2      PRO   6  14.009 -11.751   3.363
   46    HD3  PRO   6           HD3      PRO   6  13.946 -13.092   4.550
   47    HA   PRO   7           HA       PRO   7  12.882  -6.654   6.858
   48    HB2  PRO   7           HB2      PRO   7  13.771  -5.802   9.299
   49    HB3  PRO   7           HB3      PRO   7  12.242  -6.718   9.093
   50    HG2  PRO   7           HG2      PRO   7  14.972  -7.791   9.870
   51    HG3  PRO   7           HG3      PRO   7  13.402  -8.090  10.689
   52    HD2  PRO   7           HD2      PRO   7  14.441  -9.846   8.880
   53    HD3  PRO   7           HD3      PRO   7  12.679  -9.533   8.956
   54    HA   PRO   8           HA       PRO   8  16.954  -5.023   5.912
   55    HB2  PRO   8           HB2      PRO   8  16.465  -2.386   5.708
   56    HB3  PRO   8           HB3      PRO   8  15.550  -3.549   4.705
   57    HG2  PRO   8           HG2      PRO   8  14.686  -2.311   7.336
   58    HG3  PRO   8           HG3      PRO   8  13.787  -2.345   5.783
   59    HD2  PRO   8           HD2      PRO   8  13.488  -4.194   7.813
   60    HD3  PRO   8           HD3      PRO   8  13.215  -4.593   6.070
   61    H    ASP   9           H        ASP   9  17.532  -2.309   7.064
   62    HA   ASP   9           HA       ASP   9  18.018  -2.979   9.928
   63    HB2  ASP   9           HB2      ASP   9  20.195  -2.206   7.951
   64    HB3  ASP   9           HB3      ASP   9  20.401  -2.374   9.700
   65    H    VAL  10           H        VAL  10  17.615  -0.605   7.388
   66    HA   VAL  10           HA       VAL  10  17.463   1.622   7.342
   67    HB   VAL  10           HB       VAL  10  15.735   2.530   8.791
   68   HG11  VAL  10          HG11      VAL  10  15.176  -0.362   8.040
   69   HG12  VAL  10          HG12      VAL  10  13.977   0.923   8.274
   70   HG13  VAL  10          HG13      VAL  10  15.129   1.030   6.923
   71   HG21  VAL  10          HG21      VAL  10  16.479   1.509  10.947
   72   HG22  VAL  10          HG22      VAL  10  14.750   1.269  10.615
   73   HG23  VAL  10          HG23      VAL  10  15.894  -0.067  10.373
   74    H    GLU  11           H        GLU  11  19.923   0.768   8.778
   75    HA   GLU  11           HA       GLU  11  20.396   2.454  11.006
   76    HB2  GLU  11           HB2      GLU  11  22.211   1.141   8.956
   77    HB3  GLU  11           HB3      GLU  11  22.844   2.040  10.347
   78    HG2  GLU  11           HG2      GLU  11  20.964  -0.334  10.564
   79    HG3  GLU  11           HG3      GLU  11  22.722  -0.419  10.717
   80    H    GLY  12           H        GLY  12  19.749   3.457   7.874
   81    HA2  GLY  12           HA2      GLY  12  20.663   6.151   8.404
   82    HA3  GLY  12           HA3      GLY  12  21.646   5.339   7.163
   83    H    MET  13           H        MET  13  18.224   4.479   7.508
   84    HA   MET  13           HA       MET  13  17.496   6.168   5.186
   85    HB2  MET  13           HB2      MET  13  18.248   4.119   4.189
   86    HB3  MET  13           HB3      MET  13  17.474   3.146   5.457
   87    HG2  MET  13           HG2      MET  13  15.271   3.786   4.669
   88    HG3  MET  13           HG3      MET  13  15.989   4.842   3.436
   89    HE1  MET  13           HE1      MET  13  17.295   1.263   4.541
   90    HE2  MET  13           HE2      MET  13  15.530   1.177   4.725
   91    HE3  MET  13           HE3      MET  13  16.340   0.214   3.464
   92    H    THR  14           H        THR  14  15.258   6.497   4.993
   93    HA   THR  14           HA       THR  14  13.416   5.447   7.037
   94    HB   THR  14           HB       THR  14  14.000   8.408   6.680
   95   HG21  THR  14          HG21      THR  14  12.462   8.502   8.784
   96   HG22  THR  14          HG22      THR  14  11.700   8.386   7.198
   97   HG23  THR  14          HG23      THR  14  11.839   6.938   8.223
   98    H    SER  15           H        SER  15  11.198   6.769   6.484
   99    HA   SER  15           HA       SER  15   9.447   7.001   5.041
  100    HB2  SER  15           HB2      SER  15  11.500   7.188   2.811
  101    HB3  SER  15           HB3      SER  15   9.765   7.546   2.705
  102    HG   SER  15           HG       SER  15  10.118   9.132   4.359
  103    H    LEU  16           H        LEU  16   8.055   5.704   4.419
  104    HA   LEU  16           HA       LEU  16   8.912   2.902   3.811
  105    HB2  LEU  16           HB2      LEU  16   7.593   3.623   5.841
  106    HB3  LEU  16           HB3      LEU  16   6.217   3.951   4.779
  107    HG   LEU  16           HG       LEU  16   6.436   1.764   6.203
  108   HD11  LEU  16          HD11      LEU  16   4.619   2.287   4.641
  109   HD12  LEU  16          HD12      LEU  16   5.549   1.492   3.338
  110   HD13  LEU  16          HD13      LEU  16   5.000   0.571   4.776
  111   HD21  LEU  16          HD21      LEU  16   8.686   1.148   5.290
  112   HD22  LEU  16          HD22      LEU  16   7.463  -0.120   5.105
  113   HD23  LEU  16          HD23      LEU  16   7.913   0.873   3.704
  114    H    LYS  17           H        LYS  17   7.666   1.743   2.196
  115    HA   LYS  17           HA       LYS  17   6.067   3.281   0.234
  116    HB2  LYS  17           HB2      LYS  17   8.080   3.517  -0.866
  117    HB3  LYS  17           HB3      LYS  17   8.728   2.000  -0.232
  118    HG2  LYS  17           HG2      LYS  17   8.388   1.737  -2.561
  119    HG3  LYS  17           HG3      LYS  17   7.184   0.737  -1.726
  120    HD2  LYS  17           HD2      LYS  17   5.518   2.598  -2.103
  121    HD3  LYS  17           HD3      LYS  17   6.761   3.458  -3.036
  122    HE2  LYS  17           HE2      LYS  17   5.706   0.672  -3.664
  123    HE3  LYS  17           HE3      LYS  17   5.205   2.162  -4.477
  124    HZ1  LYS  17           HZ1      LYS  17   7.486   2.478  -5.187
  125    HZ2  LYS  17           HZ2      LYS  17   7.949   1.079  -4.461
  126    HZ3  LYS  17           HZ3      LYS  17   6.911   1.043  -5.729
  127    H    VAL  18           H        VAL  18   4.399   2.091  -0.432
  128    HA   VAL  18           HA       VAL  18   4.452  -0.894  -0.041
  129    HB   VAL  18           HB       VAL  18   2.322   1.165   0.465
  130   HG11  VAL  18          HG11      VAL  18   1.939  -1.847   0.177
  131   HG12  VAL  18          HG12      VAL  18   0.713  -0.712   0.809
  132   HG13  VAL  18          HG13      VAL  18   1.247  -0.597  -0.876
  133   HG21  VAL  18          HG21      VAL  18   3.924   0.484   2.294
  134   HG22  VAL  18          HG22      VAL  18   2.209   0.213   2.671
  135   HG23  VAL  18          HG23      VAL  18   3.248  -1.154   2.189
  136    H    ASP  19           H        ASP  19   3.653  -2.082  -1.618
  137    HA   ASP  19           HA       ASP  19   2.780  -0.932  -4.197
  138    HB2  ASP  19           HB2      ASP  19   4.946  -0.934  -4.813
  139    HB3  ASP  19           HB3      ASP  19   5.440  -1.916  -3.433
  140    H    ASN  20           H        ASN  20   2.420  -2.785  -5.779
  141    HA   ASN  20           HA       ASN  20   1.365  -4.624  -6.455
  142    HB2  ASN  20           HB2      ASN  20   2.809  -5.758  -4.589
  143    HB3  ASN  20           HB3      ASN  20   1.256  -5.907  -3.750
  144   HD21  ASN  20          HD22      ASN  20   0.788  -8.110  -4.008
  145   HD22  ASN  20          HD21      ASN  20   0.704  -8.898  -5.565
  146    H    LEU  21           H        LEU  21  -0.614  -4.116  -7.089
  147    HA   LEU  21           HA       LEU  21  -2.821  -3.956  -5.080
  148    HB2  LEU  21           HB2      LEU  21  -2.557  -2.191  -7.538
  149    HB3  LEU  21           HB3      LEU  21  -3.775  -2.074  -6.262
  150    HG   LEU  21           HG       LEU  21  -0.803  -1.506  -5.958
  151   HD11  LEU  21          HD11      LEU  21  -3.258   0.304  -6.122
  152   HD12  LEU  21          HD12      LEU  21  -1.574   0.847  -5.891
  153   HD13  LEU  21          HD13      LEU  21  -2.056   0.082  -7.413
  154   HD21  LEU  21          HD21      LEU  21  -2.150  -2.324  -3.894
  155   HD22  LEU  21          HD22      LEU  21  -1.210  -0.832  -3.772
  156   HD23  LEU  21          HD23      LEU  21  -2.986  -0.758  -4.004
  157    H    THR  22           H        THR  22  -4.981  -4.033  -6.200
  158    HA   THR  22           HA       THR  22  -4.871  -5.944  -8.488
  159    HB   THR  22           HB       THR  22  -5.755  -6.815  -6.314
  160   HG21  THR  22          HG21      THR  22  -8.001  -6.127  -5.583
  161   HG22  THR  22          HG22      THR  22  -6.878  -4.765  -5.501
  162   HG23  THR  22          HG23      THR  22  -8.048  -4.872  -6.837
  163    H    TYR  23           H        TYR  23  -5.137  -2.819  -8.108
  164    HA   TYR  23           HA       TYR  23  -5.799  -1.188  -9.532
  165    HB2  TYR  23           HB2      TYR  23  -6.357  -1.795 -11.555
  166    HB3  TYR  23           HB3      TYR  23  -6.635  -3.437 -11.000
  167    HD1  TYR  23           HD2      TYR  23  -9.074  -3.751  -9.793
  168    HD2  TYR  23           HD1      TYR  23  -8.044  -0.717 -12.658
  169    HE1  TYR  23           HE2      TYR  23 -11.469  -3.509 -10.389
  170    HE2  TYR  23           HE1      TYR  23 -10.445  -0.449 -13.247
  171    HH   TYR  23           HH       TYR  23 -12.593  -1.160 -12.849
  172    H    ARG  24           H        ARG  24  -7.597  -2.790  -7.298
  173    HA   ARG  24           HA       ARG  24  -9.500  -0.496  -7.047
  174    HB2  ARG  24           HB2      ARG  24 -10.558  -2.445  -8.116
  175    HB3  ARG  24           HB3      ARG  24 -10.095  -3.457  -6.747
  176    HG2  ARG  24           HG2      ARG  24 -11.595  -2.197  -5.272
  177    HG3  ARG  24           HG3      ARG  24 -11.903  -0.999  -6.556
  178    HD2  ARG  24           HD2      ARG  24 -12.938  -2.738  -7.943
  179    HD3  ARG  24           HD3      ARG  24 -12.601  -3.960  -6.697
  180    HE   ARG  24           HE       ARG  24 -14.050  -1.894  -5.450
  181   HH11  ARG  24          HH11      ARG  24 -14.557  -4.307  -7.985
  182   HH12  ARG  24          HH12      ARG  24 -16.277  -4.415  -7.700
  183   HH21  ARG  24          HH21      ARG  24 -16.292  -2.045  -5.110
  184   HH22  ARG  24          HH22      ARG  24 -17.258  -3.144  -6.077
  185    H    THR  25           H        THR  25  -6.923  -1.982  -5.643
  186    HA   THR  25           HA       THR  25  -7.715  -2.289  -2.924
  187    HB   THR  25           HB       THR  25  -5.067  -1.513  -4.189
  188   HG21  THR  25          HG21      THR  25  -5.748  -2.285  -1.321
  189   HG22  THR  25          HG22      THR  25  -4.099  -2.273  -2.001
  190   HG23  THR  25          HG23      THR  25  -5.030  -0.764  -1.893
  191    H    SER  26           H        SER  26  -6.682   0.546  -4.798
  192    HA   SER  26           HA       SER  26  -6.765   2.744  -4.496
  193    HB2  SER  26           HB2      SER  26  -9.066   1.981  -2.680
  194    HB3  SER  26           HB3      SER  26  -8.757   3.626  -3.267
  195    HG   SER  26           HG       SER  26 -10.222   2.468  -4.609
  196    HA   PRO  27           HA       PRO  27  -4.288   4.285  -1.212
  197    HB2  PRO  27           HB2      PRO  27  -5.073   6.926  -1.180
  198    HB3  PRO  27           HB3      PRO  27  -3.961   6.193  -2.376
  199    HG2  PRO  27           HG2      PRO  27  -6.901   6.800  -2.632
  200    HG3  PRO  27           HG3      PRO  27  -5.612   7.010  -3.857
  201    HD2  PRO  27           HD2      PRO  27  -7.341   4.899  -3.869
  202    HD3  PRO  27           HD3      PRO  27  -5.655   4.724  -4.410
  203    H    ASP  28           H        ASP  28  -7.837   4.772  -0.988
  204    HA   ASP  28           HA       ASP  28  -7.740   5.817   1.696
  205    HB2  ASP  28           HB2      ASP  28  -9.623   6.078   0.085
  206    HB3  ASP  28           HB3      ASP  28  -9.944   4.334   0.245
  207    H    THR  29           H        THR  29  -8.257   2.514   0.325
  208    HA   THR  29           HA       THR  29  -8.837   1.307   2.866
  209    HB   THR  29           HB       THR  29  -7.516  -0.009   0.473
  210   HG21  THR  29          HG21      THR  29  -8.791  -1.993   1.240
  211   HG22  THR  29          HG22      THR  29  -7.692  -1.395   2.503
  212   HG23  THR  29          HG23      THR  29  -9.432  -1.044   2.608
  213    H    LEU  30           H        LEU  30  -5.876   1.790   0.919
  214    HA   LEU  30           HA       LEU  30  -4.090   0.417   2.649
  215    HB2  LEU  30           HB2      LEU  30  -3.686   2.811   0.800
  216    HB3  LEU  30           HB3      LEU  30  -2.373   1.874   1.514
  217    HG   LEU  30           HG       LEU  30  -4.517   0.581  -0.204
  218   HD11  LEU  30          HD11      LEU  30  -2.924   0.806  -2.084
  219   HD12  LEU  30          HD12      LEU  30  -3.453   2.386  -1.469
  220   HD13  LEU  30          HD13      LEU  30  -1.840   1.775  -1.048
  221   HD21  LEU  30          HD21      LEU  30  -1.675  -0.179   0.568
  222   HD22  LEU  30          HD22      LEU  30  -3.166  -0.937   1.186
  223   HD23  LEU  30          HD23      LEU  30  -2.718  -1.111  -0.532
  224    H    ARG  31           H        ARG  31  -5.464   3.723   2.731
  225    HA   ARG  31           HA       ARG  31  -3.568   4.846   4.479
  226    HB2  ARG  31           HB2      ARG  31  -5.661   5.852   3.160
  227    HB3  ARG  31           HB3      ARG  31  -6.503   5.567   4.681
  228    HG2  ARG  31           HG2      ARG  31  -4.109   7.356   4.158
  229    HG3  ARG  31           HG3      ARG  31  -5.733   7.816   4.707
  230    HD2  ARG  31           HD2      ARG  31  -5.279   6.535   6.834
  231    HD3  ARG  31           HD3      ARG  31  -3.629   6.266   6.248
  232    HE   ARG  31           HE       ARG  31  -3.120   8.551   6.535
  233   HH11  ARG  31          HH11      ARG  31  -6.476   7.854   7.422
  234   HH12  ARG  31          HH12      ARG  31  -6.686   9.366   8.272
  235   HH21  ARG  31          HH21      ARG  31  -3.427  10.515   7.652
  236   HH22  ARG  31          HH22      ARG  31  -4.972  10.868   8.392
  237    H    ARG  32           H        ARG  32  -6.771   3.417   5.273
  238    HA   ARG  32           HA       ARG  32  -6.123   3.447   8.124
  239    HB2  ARG  32           HB2      ARG  32  -8.409   2.547   8.377
  240    HB3  ARG  32           HB3      ARG  32  -8.383   3.906   7.233
  241    HG2  ARG  32           HG2      ARG  32  -7.960   1.779   5.528
  242    HG3  ARG  32           HG3      ARG  32  -8.996   1.030   6.748
  243    HD2  ARG  32           HD2      ARG  32  -9.563   3.596   5.213
  244    HD3  ARG  32           HD3      ARG  32 -10.274   2.006   4.866
  245    HE   ARG  32           HE       ARG  32 -10.882   2.497   7.540
  246   HH11  ARG  32          HH11      ARG  32 -11.524   4.059   4.426
  247   HH12  ARG  32          HH12      ARG  32 -13.047   4.733   4.945
  248   HH21  ARG  32          HH21      ARG  32 -12.867   3.393   8.186
  249   HH22  ARG  32          HH22      ARG  32 -13.806   4.369   7.073
  250    H    VAL  33           H        VAL  33  -5.241   1.352   5.665
  251    HA   VAL  33           HA       VAL  33  -5.163  -1.054   7.390
  252    HB   VAL  33           HB       VAL  33  -4.618  -0.396   4.507
  253   HG11  VAL  33          HG11      VAL  33  -3.832  -3.000   5.878
  254   HG12  VAL  33          HG12      VAL  33  -3.878  -2.716   4.116
  255   HG13  VAL  33          HG13      VAL  33  -2.732  -1.822   5.123
  256   HG21  VAL  33          HG21      VAL  33  -6.919  -1.020   5.381
  257   HG22  VAL  33          HG22      VAL  33  -6.303  -2.170   4.171
  258   HG23  VAL  33          HG23      VAL  33  -6.247  -2.571   5.913
  259    H    PHE  34           H        PHE  34  -3.229   1.700   6.634
  260    HA   PHE  34           HA       PHE  34  -0.789   0.258   7.605
  261    HB2  PHE  34           HB2      PHE  34  -1.248   2.252   5.380
  262    HB3  PHE  34           HB3      PHE  34   0.292   2.248   6.209
  263    HD1  PHE  34           HD2      PHE  34   1.704   0.252   6.302
  264    HD2  PHE  34           HD1      PHE  34  -1.729   0.516   3.762
  265    HE1  PHE  34           HE2      PHE  34   2.543  -1.707   4.977
  266    HE2  PHE  34           HE1      PHE  34  -0.880  -1.371   2.390
  267    HZ   PHE  34           HZ       PHE  34   1.249  -2.523   3.041
  268    H    GLU  35           H        GLU  35  -2.660   3.330   7.645
  269    HA   GLU  35           HA       GLU  35  -0.775   4.522   9.357
  270    HB2  GLU  35           HB2      GLU  35  -2.268   6.348   9.560
  271    HB3  GLU  35           HB3      GLU  35  -2.646   5.626   7.996
  272    HG2  GLU  35           HG2      GLU  35  -4.753   6.010   8.871
  273    HG3  GLU  35           HG3      GLU  35  -4.481   4.314   9.266
  274    H    LYS  36           H        LYS  36  -3.097   2.075   9.824
  275    HA   LYS  36           HA       LYS  36  -4.018   2.525  12.438
  276    HB2  LYS  36           HB2      LYS  36  -4.605   0.165  12.400
  277    HB3  LYS  36           HB3      LYS  36  -4.957   0.913  10.820
  278    HG2  LYS  36           HG2      LYS  36  -2.692   0.032  10.038
  279    HG3  LYS  36           HG3      LYS  36  -2.616  -0.887  11.555
  280    HD2  LYS  36           HD2      LYS  36  -4.611  -1.165   9.294
  281    HD3  LYS  36           HD3      LYS  36  -3.446  -2.373   9.884
  282    HE2  LYS  36           HE2      LYS  36  -4.701  -2.343  12.083
  283    HE3  LYS  36           HE3      LYS  36  -5.920  -1.322  11.290
  284    HZ1  LYS  36           HZ1      LYS  36  -6.531  -3.634  11.229
  285    HZ2  LYS  36           HZ2      LYS  36  -6.273  -3.076   9.702
  286    HZ3  LYS  36           HZ3      LYS  36  -5.147  -4.029  10.440
  287    H    TYR  37           H        TYR  37  -0.975   1.138  11.226
  288    HA   TYR  37           HA       TYR  37  -0.256   0.090  13.790
  289    HB2  TYR  37           HB2      TYR  37   1.404   0.719  11.310
  290    HB3  TYR  37           HB3      TYR  37   2.015  -0.162  12.716
  291    HD1  TYR  37           HD1      TYR  37   1.181  -2.405  13.264
  292    HD2  TYR  37           HD2      TYR  37  -0.148  -0.318   9.745
  293    HE1  TYR  37           HE1      TYR  37   0.253  -4.521  12.364
  294    HE2  TYR  37           HE2      TYR  37  -1.049  -2.423   8.826
  295    HH   TYR  37           HH       TYR  37  -0.852  -5.518  10.612
  296    H    GLY  38           H        GLY  38  -0.064   3.226  12.275
  297    HA2  GLY  38           HA2      GLY  38   0.596   4.465  14.775
  298    HA3  GLY  38           HA3      GLY  38   2.026   4.449  13.715
  299    H    ARG  39           H        ARG  39   1.464   5.155  11.330
  300    HA   ARG  39           HA       ARG  39  -0.794   6.861  10.904
  301    HB2  ARG  39           HB2      ARG  39   1.008   8.171  12.455
  302    HB3  ARG  39           HB3      ARG  39   1.807   8.400  10.897
  303    HG2  ARG  39           HG2      ARG  39   0.402  10.305  11.461
  304    HG3  ARG  39           HG3      ARG  39  -0.237   9.505  10.015
  305    HD2  ARG  39           HD2      ARG  39  -1.953   8.399  11.310
  306    HD3  ARG  39           HD3      ARG  39  -1.235   8.948  12.834
  307    HE   ARG  39           HE       ARG  39  -1.713  11.318  11.683
  308   HH11  ARG  39          HH11      ARG  39  -3.826   8.469  11.849
  309   HH12  ARG  39          HH12      ARG  39  -5.282   9.426  11.895
  310   HH21  ARG  39          HH21      ARG  39  -3.636  12.517  11.702
  311   HH22  ARG  39          HH22      ARG  39  -5.180  11.706  11.791
  312    H    VAL  40           H        VAL  40  -0.579   8.093   8.864
  313    HA   VAL  40           HA       VAL  40   1.385   6.897   6.981
  314    HB   VAL  40           HB       VAL  40  -1.630   7.137   6.740
  315   HG11  VAL  40          HG11      VAL  40  -0.768   8.133   4.652
  316   HG12  VAL  40          HG12      VAL  40   0.358   6.767   4.478
  317   HG13  VAL  40          HG13      VAL  40  -1.396   6.492   4.367
  318   HG21  VAL  40          HG21      VAL  40  -0.332   4.993   7.487
  319   HG22  VAL  40          HG22      VAL  40  -1.537   4.822   6.171
  320   HG23  VAL  40          HG23      VAL  40   0.196   4.908   5.801
  321    H    GLY  41           H        GLY  41   2.676   8.605   6.867
  322    HA2  GLY  41           HA2      GLY  41   1.953  11.351   6.829
  323    HA3  GLY  41           HA3      GLY  41   3.457  10.640   6.199
  324    H    ASP  42           H        ASP  42   2.013   8.898   4.247
  325    HA   ASP  42           HA       ASP  42   0.772  10.768   2.344
  326    HB2  ASP  42           HB2      ASP  42   3.494   9.453   2.015
  327    HB3  ASP  42           HB3      ASP  42   2.532   9.968   0.624
  328    H    VAL  43           H        VAL  43  -0.520   9.618   0.861
  329    HA   VAL  43           HA       VAL  43  -0.025   6.762   0.476
  330    HB   VAL  43           HB       VAL  43  -1.609   7.341   2.561
  331   HG11  VAL  43          HG11      VAL  43  -3.600   7.018   0.292
  332   HG12  VAL  43          HG12      VAL  43  -3.964   7.012   2.024
  333   HG13  VAL  43          HG13      VAL  43  -3.366   8.499   1.262
  334   HG21  VAL  43          HG21      VAL  43  -1.846   5.022   0.672
  335   HG22  VAL  43          HG22      VAL  43  -0.900   5.171   2.191
  336   HG23  VAL  43          HG23      VAL  43  -2.655   5.109   2.263
  337    H    TYR  44           H        TYR  44   0.019   6.639  -1.686
  338    HA   TYR  44           HA       TYR  44  -2.306   7.628  -3.160
  339    HB2  TYR  44           HB2      TYR  44  -1.317   9.212  -4.481
  340    HB3  TYR  44           HB3      TYR  44  -0.589   9.559  -2.926
  341    HD1  TYR  44           HD2      TYR  44   1.821   8.953  -2.522
  342    HD2  TYR  44           HD1      TYR  44  -0.073   8.348  -6.331
  343    HE1  TYR  44           HE2      TYR  44   4.048   8.813  -3.603
  344    HE2  TYR  44           HE1      TYR  44   2.136   8.157  -7.417
  345    HH   TYR  44           HH       TYR  44   4.413   8.261  -7.135
  346    H    ILE  45           H        ILE  45  -2.102   7.089  -5.546
  347    HA   ILE  45           HA       ILE  45  -0.512   4.588  -5.903
  348    HB   ILE  45           HB       ILE  45  -3.393   5.186  -6.618
  349   HG12  ILE  45          HG12      ILE  45  -3.792   2.957  -5.688
  350   HG13  ILE  45          HG13      ILE  45  -2.070   2.770  -5.323
  351   HG21  ILE  45          HG21      ILE  45  -2.282   4.329  -8.658
  352   HG22  ILE  45          HG22      ILE  45  -1.554   3.012  -7.712
  353   HG23  ILE  45          HG23      ILE  45  -3.319   3.080  -7.955
  354   HD11  ILE  45          HD11      ILE  45  -3.658   5.056  -4.159
  355   HD12  ILE  45          HD12      ILE  45  -3.691   3.431  -3.430
  356   HD13  ILE  45          HD13      ILE  45  -2.155   4.305  -3.553
  357    HA   PRO  46           HA       PRO  46   0.923   7.144  -9.396
  358    HB2  PRO  46           HB2      PRO  46   3.057   5.593 -10.046
  359    HB3  PRO  46           HB3      PRO  46   3.046   6.687  -8.632
  360    HG2  PRO  46           HG2      PRO  46   2.460   3.716  -8.680
  361    HG3  PRO  46           HG3      PRO  46   3.564   4.621  -7.574
  362    HD2  PRO  46           HD2      PRO  46   1.025   3.928  -6.881
  363    HD3  PRO  46           HD3      PRO  46   1.770   5.466  -6.345
  364    H    ARG  47           H        ARG  47  -1.368   6.021  -9.980
  365    HA   ARG  47           HA       ARG  47  -1.325   3.660 -11.566
  366    HB2  ARG  47           HB2      ARG  47  -3.600   4.064 -11.984
  367    HB3  ARG  47           HB3      ARG  47  -3.340   4.780 -10.397
  368    HG2  ARG  47           HG2      ARG  47  -3.184   7.029 -11.452
  369    HG3  ARG  47           HG3      ARG  47  -3.400   6.277 -13.051
  370    HD2  ARG  47           HD2      ARG  47  -5.554   5.241 -12.129
  371    HD3  ARG  47           HD3      ARG  47  -5.407   6.398 -10.790
  372    HE   ARG  47           HE       ARG  47  -5.932   8.150 -12.257
  373   HH11  ARG  47          HH11      ARG  47  -5.448   5.136 -14.061
  374   HH12  ARG  47          HH12      ARG  47  -6.097   5.784 -15.544
  375   HH21  ARG  47          HH21      ARG  47  -6.778   8.961 -14.202
  376   HH22  ARG  47          HH22      ARG  47  -6.837   7.952 -15.632
  377    H    ASP  48           H        ASP  48  -2.508   3.941 -13.896
  378    HA   ASP  48           HA       ASP  48  -0.445   4.701 -15.666
  379    HB2  ASP  48           HB2      ASP  48  -2.436   3.011 -15.824
  380    HB3  ASP  48           HB3      ASP  48  -3.339   4.393 -16.467
  381    H    ARG  49           H        ARG  49  -1.356   6.075 -17.774
  382    HA   ARG  49           HA       ARG  49  -2.312   8.695 -16.745
  383    HB2  ARG  49           HB2      ARG  49   0.142   8.611 -16.678
  384    HB3  ARG  49           HB3      ARG  49   0.189   8.312 -18.423
  385    HG2  ARG  49           HG2      ARG  49  -0.693  10.477 -18.917
  386    HG3  ARG  49           HG3      ARG  49  -1.254  10.709 -17.246
  387    HD2  ARG  49           HD2      ARG  49   0.740  12.030 -17.580
  388    HD3  ARG  49           HD3      ARG  49   1.059  10.705 -16.443
  389    HE   ARG  49           HE       ARG  49   1.732   9.863 -19.089
  390   HH11  ARG  49          HH11      ARG  49   2.869  12.050 -16.558
  391   HH12  ARG  49          HH12      ARG  49   4.545  11.935 -17.056
  392   HH21  ARG  49          HH21      ARG  49   3.922   9.756 -19.728
  393   HH22  ARG  49          HH22      ARG  49   5.132  10.661 -18.852
  394    H    TYR  50           H        TYR  50  -2.724   6.222 -18.985
  395    HA   TYR  50           HA       TYR  50  -4.299   8.021 -20.693
  396    HB2  TYR  50           HB2      TYR  50  -3.376   6.928 -22.734
  397    HB3  TYR  50           HB3      TYR  50  -2.241   7.974 -21.881
  398    HD1  TYR  50           HD2      TYR  50  -0.293   7.069 -20.737
  399    HD2  TYR  50           HD1      TYR  50  -3.028   4.507 -22.840
  400    HE1  TYR  50           HE2      TYR  50   1.379   5.239 -20.658
  401    HE2  TYR  50           HE1      TYR  50  -1.357   2.661 -22.769
  402    HH   TYR  50           HH       TYR  50   0.739   2.017 -22.105
  403    H    THR  51           H        THR  51  -4.570   5.652 -18.633
  404    HA   THR  51           HA       THR  51  -6.706   4.310 -20.195
  405    HB   THR  51           HB       THR  51  -6.104   2.135 -19.325
  406   HG21  THR  51          HG21      THR  51  -4.075   1.676 -20.582
  407   HG22  THR  51          HG22      THR  51  -5.045   2.864 -21.486
  408   HG23  THR  51          HG23      THR  51  -3.621   3.394 -20.561
  409    H    LYS  52           H        LYS  52  -7.959   2.828 -18.547
  410    HA   LYS  52           HA       LYS  52  -8.717   4.611 -16.304
  411    HB2  LYS  52           HB2      LYS  52 -10.148   2.419 -17.853
  412    HB3  LYS  52           HB3      LYS  52 -10.778   3.072 -16.337
  413    HG2  LYS  52           HG2      LYS  52 -11.880   4.185 -18.127
  414    HG3  LYS  52           HG3      LYS  52 -10.835   5.351 -17.308
  415    HD2  LYS  52           HD2      LYS  52  -9.182   5.213 -19.106
  416    HD3  LYS  52           HD3      LYS  52 -10.111   3.919 -19.895
  417    HE2  LYS  52           HE2      LYS  52 -11.106   6.748 -19.371
  418    HE3  LYS  52           HE3      LYS  52 -10.449   6.191 -20.916
  419    HZ1  LYS  52           HZ1      LYS  52 -12.833   6.098 -20.905
  420    HZ2  LYS  52           HZ2      LYS  52 -12.229   4.577 -21.015
  421    HZ3  LYS  52           HZ3      LYS  52 -12.850   5.112 -19.591
  422    H    GLU  53           H        GLU  53  -6.367   2.719 -16.272
  423    HA   GLU  53           HA       GLU  53  -7.153   1.222 -13.835
  424    HB2  GLU  53           HB2      GLU  53  -5.901  -0.744 -14.613
  425    HB3  GLU  53           HB3      GLU  53  -7.271  -0.372 -15.676
  426    HG2  GLU  53           HG2      GLU  53  -5.750   0.718 -17.280
  427    HG3  GLU  53           HG3      GLU  53  -4.367   0.358 -16.218
  428    H    SER  54           H        SER  54  -4.588  -0.003 -13.473
  429    HA   SER  54           HA       SER  54  -2.866   2.391 -13.065
  430    HB2  SER  54           HB2      SER  54  -2.497   1.756 -10.749
  431    HB3  SER  54           HB3      SER  54  -4.241   1.934 -11.024
  432    HG   SER  54           HG       SER  54  -4.353  -0.331 -11.252
  433    H    ARG  55           H        ARG  55  -0.671   1.773 -12.262
  434    HA   ARG  55           HA       ARG  55   0.547  -0.081 -14.089
  435    HB2  ARG  55           HB2      ARG  55   1.576   1.392 -11.639
  436    HB3  ARG  55           HB3      ARG  55   2.610   0.508 -12.766
  437    HG2  ARG  55           HG2      ARG  55   0.832   2.836 -13.601
  438    HG3  ARG  55           HG3      ARG  55   2.513   2.994 -13.076
  439    HD2  ARG  55           HD2      ARG  55   2.725   2.955 -15.370
  440    HD3  ARG  55           HD3      ARG  55   3.084   1.283 -14.924
  441    HE   ARG  55           HE       ARG  55   0.481   2.270 -16.062
  442   HH11  ARG  55          HH11      ARG  55   2.848  -0.342 -15.662
  443   HH12  ARG  55          HH12      ARG  55   2.018  -1.397 -16.773
  444   HH21  ARG  55          HH21      ARG  55  -0.516   0.920 -17.531
  445   HH22  ARG  55          HH22      ARG  55   0.083  -0.703 -17.802
  446    H    GLY  56           H        GLY  56  -0.879  -0.501 -10.957
  447    HA2  GLY  56           HA2      GLY  56  -1.340  -2.733 -10.221
  448    HA3  GLY  56           HA3      GLY  56   0.193  -3.284 -10.920
  449    H    PHE  57           H        PHE  57   0.378  -0.274  -9.138
  450    HA   PHE  57           HA       PHE  57   1.046  -1.579  -6.592
  451    HB2  PHE  57           HB2      PHE  57   3.273  -0.986  -6.522
  452    HB3  PHE  57           HB3      PHE  57   3.079  -1.750  -8.103
  453    HD1  PHE  57           HD2      PHE  57   2.686  -0.017 -10.121
  454    HD2  PHE  57           HD1      PHE  57   4.396   0.988  -6.311
  455    HE1  PHE  57           HE2      PHE  57   3.773   1.986 -11.127
  456    HE2  PHE  57           HE1      PHE  57   5.464   2.989  -7.313
  457    HZ   PHE  57           HZ       PHE  57   5.127   3.506  -9.714
  458    H    ALA  58           H        ALA  58   1.362  -0.101  -4.888
  459    HA   ALA  58           HA       ALA  58   0.159   2.581  -5.385
  460    HB1  ALA  58           HB1      ALA  58  -1.150   1.182  -3.871
  461    HB2  ALA  58           HB2      ALA  58   0.301   0.851  -2.874
  462    HB3  ALA  58           HB3      ALA  58  -0.397   2.483  -2.954
  463    H    PHE  59           H        PHE  59   0.937   3.759  -3.047
  464    HA   PHE  59           HA       PHE  59   3.791   3.552  -2.535
  465    HB2  PHE  59           HB2      PHE  59   3.206   4.880  -4.828
  466    HB3  PHE  59           HB3      PHE  59   2.875   6.184  -3.710
  467    HD1  PHE  59           HD1      PHE  59   5.160   5.576  -1.675
  468    HD2  PHE  59           HD2      PHE  59   5.032   5.608  -5.977
  469    HE1  PHE  59           HE1      PHE  59   7.576   6.114  -1.748
  470    HE2  PHE  59           HE2      PHE  59   7.448   6.107  -6.053
  471    HZ   PHE  59           HZ       PHE  59   8.731   6.377  -3.924
  472    H    VAL  60           H        VAL  60   2.214   2.968  -0.714
  473    HA   VAL  60           HA       VAL  60   1.424   5.446   0.659
  474    HB   VAL  60           HB       VAL  60   0.828   4.357   2.445
  475   HG11  VAL  60          HG11      VAL  60   0.670   2.104   0.418
  476   HG12  VAL  60          HG12      VAL  60  -0.155   2.143   2.006
  477   HG13  VAL  60          HG13      VAL  60  -0.514   3.355   0.759
  478   HG21  VAL  60          HG21      VAL  60   2.818   3.699   3.353
  479   HG22  VAL  60          HG22      VAL  60   1.741   2.317   3.434
  480   HG23  VAL  60          HG23      VAL  60   3.045   2.372   2.191
  481    H    ARG  61           H        ARG  61   2.716   6.692   2.076
  482    HA   ARG  61           HA       ARG  61   5.462   5.698   2.573
  483    HB2  ARG  61           HB2      ARG  61   6.094   6.977   0.797
  484    HB3  ARG  61           HB3      ARG  61   4.755   8.139   0.964
  485    HG2  ARG  61           HG2      ARG  61   5.856   9.120   2.943
  486    HG3  ARG  61           HG3      ARG  61   7.161   7.913   2.825
  487    HD2  ARG  61           HD2      ARG  61   7.557   8.787   0.459
  488    HD3  ARG  61           HD3      ARG  61   6.507  10.149   0.876
  489    HE   ARG  61           HE       ARG  61   9.239   9.645   1.775
  490   HH11  ARG  61          HH11      ARG  61   6.238  11.419   2.552
  491   HH12  ARG  61          HH12      ARG  61   7.086  12.586   3.521
  492   HH21  ARG  61          HH21      ARG  61  10.262  11.184   3.055
  493   HH22  ARG  61          HH22      ARG  61   9.341  12.460   3.813
  494    H    PHE  62           H        PHE  62   6.327   6.035   4.289
  495    HA   PHE  62           HA       PHE  62   4.631   7.407   6.359
  496    HB2  PHE  62           HB2      PHE  62   6.636   5.183   6.560
  497    HB3  PHE  62           HB3      PHE  62   6.073   6.110   7.945
  498    HD1  PHE  62           HD1      PHE  62   3.794   5.188   5.090
  499    HD2  PHE  62           HD2      PHE  62   5.074   4.382   9.130
  500    HE1  PHE  62           HE1      PHE  62   1.796   3.837   5.424
  501    HE2  PHE  62           HE2      PHE  62   3.080   2.948   9.451
  502    HZ   PHE  62           HZ       PHE  62   1.475   2.632   7.633
  503    H    HIS  63           H        HIS  63   5.482   8.806   7.756
  504    HA   HIS  63           HA       HIS  63   7.821  10.360   6.896
  505    HB2  HIS  63           HB2      HIS  63   6.828  11.929   8.629
  506    HB3  HIS  63           HB3      HIS  63   5.736  11.527   7.288
  507    HD2  HIS  63           HD2      HIS  63   3.443  11.863   8.686
  508    HE1  HIS  63           HE1      HIS  63   4.084   8.749  11.503
  509    HE2  HIS  63           HE2      HIS  63   2.400  10.456  10.613
  510    H    ASP  64           H        ASP  64   7.281   7.744   8.938
  511    HA   ASP  64           HA       ASP  64   9.597   8.425  10.642
  512    HB2  ASP  64           HB2      ASP  64   7.506   9.176  11.801
  513    HB3  ASP  64           HB3      ASP  64   6.943   7.497  11.782
  514    H    LYS  65           H        LYS  65  10.940   6.785  10.400
  515    HA   LYS  65           HA       LYS  65  10.402   4.346   9.149
  516    HB2  LYS  65           HB2      LYS  65  12.657   3.753   9.852
  517    HB3  LYS  65           HB3      LYS  65  12.597   5.457   9.384
  518    HG2  LYS  65           HG2      LYS  65  12.161   5.918  11.931
  519    HG3  LYS  65           HG3      LYS  65  12.771   4.272  12.170
  520    HD2  LYS  65           HD2      LYS  65  14.215   6.624  10.883
  521    HD3  LYS  65           HD3      LYS  65  14.600   5.846  12.428
  522    HE2  LYS  65           HE2      LYS  65  15.124   3.738  11.213
  523    HE3  LYS  65           HE3      LYS  65  14.764   4.542   9.676
  524    HZ1  LYS  65           HZ1      LYS  65  16.875   5.369  11.559
  525    HZ2  LYS  65           HZ2      LYS  65  17.107   4.549  10.160
  526    HZ3  LYS  65           HZ3      LYS  65  16.530   6.089  10.118
  527    H    ARG  66           H        ARG  66   9.890   5.213  12.530
  528    HA   ARG  66           HA       ARG  66  10.030   2.473  13.507
  529    HB2  ARG  66           HB2      ARG  66   8.781   4.988  14.691
  530    HB3  ARG  66           HB3      ARG  66   9.034   3.469  15.563
  531    HG2  ARG  66           HG2      ARG  66  11.204   5.237  14.369
  532    HG3  ARG  66           HG3      ARG  66  10.802   5.098  16.086
  533    HD2  ARG  66           HD2      ARG  66  11.886   2.868  14.310
  534    HD3  ARG  66           HD3      ARG  66  12.804   3.771  15.518
  535    HE   ARG  66           HE       ARG  66  10.831   1.639  15.991
  536   HH11  ARG  66          HH11      ARG  66  12.702   4.280  17.432
  537   HH12  ARG  66          HH12      ARG  66  12.553   3.647  19.055
  538   HH21  ARG  66          HH21      ARG  66  10.662   0.846  18.112
  539   HH22  ARG  66          HH22      ARG  66  11.390   1.722  19.439
  540    H    ASP  67           H        ASP  67   7.352   4.755  12.724
  541    HA   ASP  67           HA       ASP  67   5.281   2.826  13.225
  542    HB2  ASP  67           HB2      ASP  67   5.328   5.291  11.425
  543    HB3  ASP  67           HB3      ASP  67   3.877   4.393  11.863
  544    H    ALA  68           H        ALA  68   7.471   3.459  10.552
  545    HA   ALA  68           HA       ALA  68   5.936   2.021   8.550
  546    HB1  ALA  68           HB1      ALA  68   8.150   2.259   7.330
  547    HB2  ALA  68           HB2      ALA  68   7.461   3.804   7.937
  548    HB3  ALA  68           HB3      ALA  68   8.805   3.010   8.790
  549    H    GLU  69           H        GLU  69   8.531   1.270  10.884
  550    HA   GLU  69           HA       GLU  69   9.360  -1.229   9.825
  551    HB2  GLU  69           HB2      GLU  69   9.360   0.175  12.486
  552    HB3  GLU  69           HB3      GLU  69   9.715  -1.549  12.474
  553    HG2  GLU  69           HG2      GLU  69  11.121   0.334  10.562
  554    HG3  GLU  69           HG3      GLU  69  11.668   0.177  12.236
  555    H    ASP  70           H        ASP  70   6.808  -0.434  12.279
  556    HA   ASP  70           HA       ASP  70   6.228  -3.228  12.677
  557    HB2  ASP  70           HB2      ASP  70   4.499  -0.802  13.288
  558    HB3  ASP  70           HB3      ASP  70   4.328  -2.442  13.945
  559    H    ALA  71           H        ALA  71   4.674  -0.630  10.721
  560    HA   ALA  71           HA       ALA  71   2.460  -2.123   9.856
  561    HB1  ALA  71           HB1      ALA  71   2.876   0.359   9.521
  562    HB2  ALA  71           HB2      ALA  71   4.003  -0.061   8.201
  563    HB3  ALA  71           HB3      ALA  71   2.290  -0.499   8.080
  564    H    MET  72           H        MET  72   5.718  -1.780   8.411
  565    HA   MET  72           HA       MET  72   5.247  -3.450   6.146
  566    HB2  MET  72           HB2      MET  72   7.034  -1.823   6.197
  567    HB3  MET  72           HB3      MET  72   7.681  -2.490   7.706
  568    HG2  MET  72           HG2      MET  72   8.505  -4.427   6.661
  569    HG3  MET  72           HG3      MET  72   7.601  -4.121   5.177
  570    HE1  MET  72           HE1      MET  72  10.999  -1.264   6.550
  571    HE2  MET  72           HE2      MET  72   9.292  -1.019   6.947
  572    HE3  MET  72           HE3      MET  72  10.172  -2.409   7.631
  573    H    ASP  73           H        ASP  73   6.500  -4.139   9.447
  574    HA   ASP  73           HA       ASP  73   7.161  -6.869   8.800
  575    HB2  ASP  73           HB2      ASP  73   8.242  -5.536  10.603
  576    HB3  ASP  73           HB3      ASP  73   6.713  -5.502  11.484
  577    H    ALA  74           H        ALA  74   4.194  -5.316   9.026
  578    HA   ALA  74           HA       ALA  74   2.818  -7.820   9.857
  579    HB1  ALA  74           HB1      ALA  74   2.104  -4.934  10.508
  580    HB2  ALA  74           HB2      ALA  74   1.150  -6.371  10.960
  581    HB3  ALA  74           HB3      ALA  74   2.772  -6.120  11.640
  582    H    MET  75           H        MET  75   3.470  -5.972   7.204
  583    HA   MET  75           HA       MET  75   0.762  -6.486   6.060
  584    HB2  MET  75           HB2      MET  75   2.384  -3.932   5.959
  585    HB3  MET  75           HB3      MET  75   1.196  -4.318   4.727
  586    HG2  MET  75           HG2      MET  75   0.596  -4.179   7.712
  587    HG3  MET  75           HG3      MET  75   0.247  -2.915   6.529
  588    HE1  MET  75           HE1      MET  75  -1.087  -3.476   4.295
  589    HE2  MET  75           HE2      MET  75  -0.513  -5.136   4.055
  590    HE3  MET  75           HE3      MET  75  -2.263  -4.815   4.125
  591    H    ASP  76           H        ASP  76   4.267  -6.662   5.631
  592    HA   ASP  76           HA       ASP  76   4.190  -6.749   2.774
  593    HB2  ASP  76           HB2      ASP  76   6.244  -6.381   4.072
  594    HB3  ASP  76           HB3      ASP  76   6.133  -8.020   4.742
  595    H    GLY  77           H        GLY  77   3.266  -8.271   1.491
  596    HA2  GLY  77           HA2      GLY  77   2.542 -10.278   0.727
  597    HA3  GLY  77           HA3      GLY  77   3.585 -11.084   1.932
  598    H    ALA  78           H        ALA  78   1.154  -8.729   2.856
  599    HA   ALA  78           HA       ALA  78  -0.141 -10.725   4.565
  600    HB1  ALA  78           HB1      ALA  78  -0.594  -7.733   4.244
  601    HB2  ALA  78           HB2      ALA  78  -1.299  -8.754   5.513
  602    HB3  ALA  78           HB3      ALA  78   0.461  -8.515   5.450
  603    H    VAL  79           H        VAL  79  -0.514 -10.088   1.419
  604    HA   VAL  79           HA       VAL  79  -2.279  -9.899  -0.065
  605    HB   VAL  79           HB       VAL  79  -1.723 -12.174  -0.093
  606   HG11  VAL  79          HG11      VAL  79  -3.456 -12.565   2.372
  607   HG12  VAL  79          HG12      VAL  79  -2.721 -13.862   1.399
  608   HG13  VAL  79          HG13      VAL  79  -1.677 -12.714   2.250
  609   HG21  VAL  79          HG21      VAL  79  -4.712 -12.065   0.035
  610   HG22  VAL  79          HG22      VAL  79  -3.649 -11.537  -1.306
  611   HG23  VAL  79          HG23      VAL  79  -3.664 -13.241  -0.797
  612    H    LEU  80           H        LEU  80  -3.118  -7.971   0.913
  613    HA   LEU  80           HA       LEU  80  -5.434  -7.993   2.580
  614    HB2  LEU  80           HB2      LEU  80  -4.176  -6.077   2.629
  615    HB3  LEU  80           HB3      LEU  80  -3.878  -6.065   0.898
  616    HG   LEU  80           HG       LEU  80  -6.640  -5.442   1.981
  617   HD11  LEU  80          HD11      LEU  80  -4.256  -3.603   1.609
  618   HD12  LEU  80          HD12      LEU  80  -5.933  -3.056   1.847
  619   HD13  LEU  80          HD13      LEU  80  -5.114  -3.987   3.127
  620   HD21  LEU  80          HD21      LEU  80  -6.325  -5.830  -0.518
  621   HD22  LEU  80          HD22      LEU  80  -6.724  -4.139  -0.151
  622   HD23  LEU  80          HD23      LEU  80  -5.040  -4.617  -0.506
  623    H    ASP  81           H        ASP  81  -5.085  -8.823  -0.775
  624    HA   ASP  81           HA       ASP  81  -8.056  -8.739  -0.991
  625    HB2  ASP  81           HB2      ASP  81  -7.190  -6.795  -2.226
  626    HB3  ASP  81           HB3      ASP  81  -6.067  -7.835  -3.109
  627    H    GLY  82           H        GLY  82  -5.031 -10.012  -2.537
  628    HA2  GLY  82           HA2      GLY  82  -5.331 -12.635  -2.120
  629    HA3  GLY  82           HA3      GLY  82  -6.529 -12.417  -3.418
  630    H    ARG  83           H        ARG  83  -3.511 -10.596  -3.127
  631    HA   ARG  83           HA       ARG  83  -2.296 -12.175  -5.345
  632    HB2  ARG  83           HB2      ARG  83  -1.635  -9.984  -6.361
  633    HB3  ARG  83           HB3      ARG  83  -3.393 -10.275  -6.408
  634    HG2  ARG  83           HG2      ARG  83  -3.804  -8.825  -4.549
  635    HG3  ARG  83           HG3      ARG  83  -2.107  -8.762  -4.103
  636    HD2  ARG  83           HD2      ARG  83  -3.531  -7.367  -6.356
  637    HD3  ARG  83           HD3      ARG  83  -2.481  -6.719  -5.067
  638    HE   ARG  83           HE       ARG  83  -0.567  -7.336  -6.279
  639   HH11  ARG  83          HH11      ARG  83  -3.501  -8.322  -8.009
  640   HH12  ARG  83          HH12      ARG  83  -2.650  -8.576  -9.514
  641   HH21  ARG  83          HH21      ARG  83   0.488  -7.649  -8.246
  642   HH22  ARG  83          HH22      ARG  83  -0.401  -8.203  -9.649
  643    H    GLU  84           H        GLU  84  -1.951 -10.193  -2.505
  644    HA   GLU  84           HA       GLU  84  -0.486 -10.714  -0.830
  645    HB2  GLU  84           HB2      GLU  84   0.612 -12.452  -2.713
  646    HB3  GLU  84           HB3      GLU  84   1.953 -11.359  -2.290
  647    HG2  GLU  84           HG2      GLU  84   1.228 -11.759   0.158
  648    HG3  GLU  84           HG3      GLU  84   0.206 -13.050  -0.458
  649    H    LEU  85           H        LEU  85  -0.489  -8.644  -0.220
  650    HA   LEU  85           HA       LEU  85   0.489  -6.406  -1.536
  651    HB2  LEU  85           HB2      LEU  85  -0.581  -7.148   1.003
  652    HB3  LEU  85           HB3      LEU  85   0.899  -6.261   1.350
  653    HG   LEU  85           HG       LEU  85  -1.124  -4.867   1.333
  654   HD11  LEU  85          HD11      LEU  85   1.087  -3.909   0.778
  655   HD12  LEU  85          HD12      LEU  85   0.756  -4.180  -0.952
  656   HD13  LEU  85          HD13      LEU  85  -0.244  -3.043  -0.032
  657   HD21  LEU  85          HD21      LEU  85  -2.310  -6.143  -0.508
  658   HD22  LEU  85          HD22      LEU  85  -2.340  -4.370  -0.686
  659   HD23  LEU  85          HD23      LEU  85  -1.243  -5.351  -1.678
  660    H    ARG  86           H        ARG  86   2.351  -4.995  -0.911
  661    HA   ARG  86           HA       ARG  86   4.788  -6.498  -0.104
  662    HB2  ARG  86           HB2      ARG  86   4.462  -4.732  -2.566
  663    HB3  ARG  86           HB3      ARG  86   6.008  -5.330  -1.947
  664    HG2  ARG  86           HG2      ARG  86   3.704  -7.081  -2.918
  665    HG3  ARG  86           HG3      ARG  86   5.144  -6.657  -3.856
  666    HD2  ARG  86           HD2      ARG  86   6.581  -7.701  -2.110
  667    HD3  ARG  86           HD3      ARG  86   5.140  -8.154  -1.193
  668    HE   ARG  86           HE       ARG  86   5.789  -9.185  -3.934
  669   HH11  ARG  86          HH11      ARG  86   4.361  -9.623  -0.724
  670   HH12  ARG  86          HH12      ARG  86   4.046 -11.328  -0.979
  671   HH21  ARG  86          HH21      ARG  86   5.268 -11.387  -4.259
  672   HH22  ARG  86          HH22      ARG  86   4.505 -12.297  -2.977
  673    H    VAL  87           H        VAL  87   6.146  -5.313   1.172
  674    HA   VAL  87           HA       VAL  87   5.764  -2.379   1.281
  675    HB   VAL  87           HB       VAL  87   5.795  -4.079   3.805
  676   HG11  VAL  87          HG11      VAL  87   5.150  -1.178   3.150
  677   HG12  VAL  87          HG12      VAL  87   4.930  -1.919   4.753
  678   HG13  VAL  87          HG13      VAL  87   6.556  -1.793   4.043
  679   HG21  VAL  87          HG21      VAL  87   3.367  -3.081   2.277
  680   HG22  VAL  87          HG22      VAL  87   3.757  -4.733   2.743
  681   HG23  VAL  87          HG23      VAL  87   3.368  -3.544   4.004
  682    H    GLN  88           H        GLN  88   7.558  -1.271   1.628
  683    HA   GLN  88           HA       GLN  88   9.967  -2.335   2.850
  684    HB2  GLN  88           HB2      GLN  88  11.298  -2.084   0.720
  685    HB3  GLN  88           HB3      GLN  88  10.243  -3.510   0.779
  686    HG2  GLN  88           HG2      GLN  88   8.580  -2.414  -0.630
  687    HG3  GLN  88           HG3      GLN  88   9.485  -0.893  -0.590
  688   HE21  GLN  88          HE22      GLN  88   8.663  -2.514  -2.925
  689   HE22  GLN  88          HE21      GLN  88  10.146  -2.915  -3.768
  690    H    MET  89           H        MET  89  11.505  -0.699   3.184
  691    HA   MET  89           HA       MET  89  10.655   1.941   3.458
  692    HB2  MET  89           HB2      MET  89  13.400   0.696   3.122
  693    HB3  MET  89           HB3      MET  89  13.157   2.415   3.528
  694    HG2  MET  89           HG2      MET  89  11.792   0.217   5.094
  695    HG3  MET  89           HG3      MET  89  13.439   0.704   5.488
  696    HE1  MET  89           HE1      MET  89  10.780   2.152   8.186
  697    HE2  MET  89           HE2      MET  89  10.270   0.912   7.011
  698    HE3  MET  89           HE3      MET  89  11.849   0.779   7.823
  699    H    ALA  90           H        ALA  90  10.560   3.705   2.134
  700    HA   ALA  90           HA       ALA  90  10.646   3.337  -0.724
  701    HB1  ALA  90           HB1      ALA  90   9.048   4.863   0.416
  702    HB2  ALA  90           HB2      ALA  90  10.410   5.866   0.960
  703    HB3  ALA  90           HB3      ALA  90  10.052   5.713  -0.778
  704    H    ARG  91           H        ARG  91  13.077   4.131   1.616
  705    HA   ARG  91           HA       ARG  91  15.197   4.888   1.454
  706    HB2  ARG  91           HB2      ARG  91  15.260   2.841   0.076
  707    HB3  ARG  91           HB3      ARG  91  14.948   3.788  -1.375
  708    HG2  ARG  91           HG2      ARG  91  17.237   4.875   0.096
  709    HG3  ARG  91           HG3      ARG  91  17.453   3.149  -0.237
  710    HD2  ARG  91           HD2      ARG  91  16.967   3.491  -2.607
  711    HD3  ARG  91           HD3      ARG  91  16.627   5.200  -2.339
  712    HE   ARG  91           HE       ARG  91  19.244   3.898  -2.510
  713   HH11  ARG  91          HH11      ARG  91  17.485   6.751  -1.387
  714   HH12  ARG  91          HH12      ARG  91  18.898   7.780  -1.399
  715   HH21  ARG  91          HH21      ARG  91  21.081   5.259  -2.509
  716   HH22  ARG  91          HH22      ARG  91  20.935   6.930  -2.020
  717    H    TYR  92           H        TYR  92  13.033   6.819   0.786
  718    HA   TYR  92           HA       TYR  92  14.623   8.706  -0.879
  719    HB2  TYR  92           HB2      TYR  92  11.609   8.317  -0.829
  720    HB3  TYR  92           HB3      TYR  92  12.465   9.591  -1.707
  721    HD1  TYR  92           HD2      TYR  92  14.783   7.996  -2.797
  722    HD2  TYR  92           HD1      TYR  92  10.575   7.120  -2.576
  723    HE1  TYR  92           HE2      TYR  92  14.999   6.489  -4.760
  724    HE2  TYR  92           HE1      TYR  92  10.787   5.609  -4.531
  725    HH   TYR  92           HH       TYR  92  12.197   4.703  -6.091
  726    H    GLY  93           H        GLY  93  14.421   8.279   2.110
  727    HA2  GLY  93           HA2      GLY  93  14.316  11.123   2.710
  728    HA3  GLY  93           HA3      GLY  93  13.014  10.211   3.481
  729    H    ARG  94           H        ARG  94  15.049  11.623   4.849
  730    HA   ARG  94           HA       ARG  94  16.017   9.573   6.657
  731    HB2  ARG  94           HB2      ARG  94  17.654   9.745   4.652
  732    HB3  ARG  94           HB3      ARG  94  18.107  11.317   5.285
  733    HG2  ARG  94           HG2      ARG  94  18.266   8.713   6.865
  734    HG3  ARG  94           HG3      ARG  94  19.597   9.394   5.915
  735    HD2  ARG  94           HD2      ARG  94  19.460  11.478   7.307
  736    HD3  ARG  94           HD3      ARG  94  18.299  10.631   8.356
  737    HE   ARG  94           HE       ARG  94  20.704   9.084   7.963
  738   HH11  ARG  94          HH11      ARG  94  19.350  11.810   9.772
  739   HH12  ARG  94          HH12      ARG  94  20.490  11.641  11.083
  740   HH21  ARG  94          HH21      ARG  94  22.199   8.922   9.698
  741   HH22  ARG  94          HH22      ARG  94  22.102  10.058  11.024
  742    HA   PRO  95           HA       PRO  95  14.951  13.264   8.950
  743    HB2  PRO  95           HB2      PRO  95  15.610  12.438  11.485
  744    HB3  PRO  95           HB3      PRO  95  14.171  11.852  10.585
  745    HG2  PRO  95           HG2      PRO  95  16.895  10.537  10.817
  746    HG3  PRO  95           HG3      PRO  95  15.286   9.784  11.084
  747    HD2  PRO  95           HD2      PRO  95  16.569   9.530   8.712
  748    HD3  PRO  95           HD3      PRO  95  14.801   9.799   8.765
  749    HA   PRO  96           HA       PRO  96  18.477  15.844   9.627
  750    HB2  PRO  96           HB2      PRO  96  17.514  16.172  12.463
  751    HB3  PRO  96           HB3      PRO  96  18.031  17.437  11.306
  752    HG2  PRO  96           HG2      PRO  96  15.399  17.008  11.742
  753    HG3  PRO  96           HG3      PRO  96  16.004  17.228  10.063
  754    HD2  PRO  96           HD2      PRO  96  15.315  14.655  11.495
  755    HD3  PRO  96           HD3      PRO  96  14.932  15.160   9.817
  756    H    ASP  97           H        ASP  97  20.509  16.111  10.902
  757    HA   ASP  97           HA       ASP  97  21.151  13.810  12.652
  758    HB2  ASP  97           HB2      ASP  97  21.653  13.376  10.149
  759    HB3  ASP  97           HB3      ASP  97  22.926  14.590  10.316
  760    H    SER  98           H        SER  98  21.046  17.050  12.351
  761    HA   SER  98           HA       SER  98  23.176  17.494  14.314
  762    HB2  SER  98           HB2      SER  98  24.256  19.257  13.008
  763    HB3  SER  98           HB3      SER  98  24.352  17.717  12.137
  764    HG   SER  98           HG       SER  98  23.660  19.586  10.878
  765    H    HIS  99           H        HIS  99  23.183  19.980  14.839
  766    HA   HIS  99           HA       HIS  99  20.548  21.245  14.441
  767    HB2  HIS  99           HB2      HIS  99  20.389  19.760  16.453
  768    HB3  HIS  99           HB3      HIS  99  21.696  20.681  17.203
  769    HD2  HIS  99           HD2      HIS  99  20.764  22.362  18.912
  770    HE1  HIS  99           HE1      HIS  99  17.114  23.439  17.016
  771    HE2  HIS  99           HE2      HIS  99  18.591  23.817  19.053
  772    H    HIS 100           H        HIS 100  23.769  21.543  14.178
  773    HA   HIS 100           HA       HIS 100  23.684  24.454  14.609
  774    HB2  HIS 100           HB2      HIS 100  24.436  23.388  16.757
  775    HB3  HIS 100           HB3      HIS 100  25.808  22.695  15.891
  776    HD2  HIS 100           HD2      HIS 100  27.953  24.084  16.194
  777    HE1  HIS 100           HE1      HIS 100  26.289  27.963  16.693
  778    HE2  HIS 100           HE2      HIS 100  28.452  26.614  16.635
  779    H    SER 101           H        SER 101  24.300  21.980  12.551
  780    HA   SER 101           HA       SER 101  26.165  23.599  10.964
  781    HB2  SER 101           HB2      SER 101  27.653  22.221  12.401
  782    HB3  SER 101           HB3      SER 101  26.839  20.753  11.824
  783    HG   SER 101           HG       SER 101  28.747  21.244  10.636
  Start of MODEL   20
    1    H    MET   1           H1       MET   1   4.680  -8.831  14.832
    2    HA   MET   1           HA       MET   1   6.090  -6.400  13.993
    3    HB2  MET   1           HB2      MET   1   4.011  -6.803  16.176
    4    HB3  MET   1           HB3      MET   1   4.983  -5.333  15.931
    5    HG2  MET   1           HG2      MET   1   4.072  -5.118  13.641
    6    HG3  MET   1           HG3      MET   1   3.064  -6.545  13.914
    7    HE1  MET   1           HE1      MET   1   0.481  -5.350  16.556
    8    HE2  MET   1           HE2      MET   1   1.017  -6.670  15.496
    9    HE3  MET   1           HE3      MET   1   2.008  -6.181  16.897
   10    H    SER   2           H        SER   2   8.073  -7.660  14.280
   11    HA   SER   2           HA       SER   2   9.042  -7.420  17.028
   12    HB2  SER   2           HB2      SER   2   9.890  -9.764  17.055
   13    HB3  SER   2           HB3      SER   2   8.115  -9.659  17.164
   14    HG   SER   2           HG       SER   2   8.822 -11.232  15.651
   15    H    TYR   3           H        TYR   3  11.400  -8.206  17.105
   16    HA   TYR   3           HA       TYR   3  12.815  -8.223  14.554
   17    HB2  TYR   3           HB2      TYR   3  14.216  -6.319  15.108
   18    HB3  TYR   3           HB3      TYR   3  12.532  -5.808  15.021
   19    HD1  TYR   3           HD1      TYR   3  11.239  -5.412  17.167
   20    HD2  TYR   3           HD2      TYR   3  15.496  -6.063  17.096
   21    HE1  TYR   3           HE1      TYR   3  11.422  -4.432  19.438
   22    HE2  TYR   3           HE2      TYR   3  15.685  -5.081  19.367
   23    HH   TYR   3           HH       TYR   3  12.824  -3.869  21.154
   24    H    GLY   4           H        GLY   4  15.112  -8.643  14.914
   25    HA2  GLY   4           HA2      GLY   4  15.757  -9.900  17.560
   26    HA3  GLY   4           HA3      GLY   4  16.158 -10.652  15.990
   27    H    ARG   5           H        ARG   5  16.632  -7.779  15.031
   28    HA   ARG   5           HA       ARG   5  19.192  -7.060  16.328
   29    HB2  ARG   5           HB2      ARG   5  18.809  -7.928  13.430
   30    HB3  ARG   5           HB3      ARG   5  20.200  -6.977  13.955
   31    HG2  ARG   5           HG2      ARG   5  19.475  -9.761  14.965
   32    HG3  ARG   5           HG3      ARG   5  20.742  -9.362  13.798
   33    HD2  ARG   5           HD2      ARG   5  21.832  -7.917  15.546
   34    HD3  ARG   5           HD3      ARG   5  20.644  -8.499  16.720
   35    HE   ARG   5           HE       ARG   5  22.916  -9.967  15.581
   36   HH11  ARG   5          HH11      ARG   5  19.867 -10.228  17.364
   37   HH12  ARG   5          HH12      ARG   5  20.283 -11.777  18.061
   38   HH21  ARG   5          HH21      ARG   5  23.414 -11.982  16.499
   39   HH22  ARG   5          HH22      ARG   5  22.278 -12.764  17.573
   40    HA   PRO   6           HA       PRO   6  17.671  -3.047  15.266
   41    HB2  PRO   6           HB2      PRO   6  19.958  -1.572  14.935
   42    HB3  PRO   6           HB3      PRO   6  19.441  -2.205  16.530
   43    HG2  PRO   6           HG2      PRO   6  21.440  -3.422  14.598
   44    HG3  PRO   6           HG3      PRO   6  21.632  -3.146  16.364
   45    HD2  PRO   6           HD2      PRO   6  20.903  -5.559  15.358
   46    HD3  PRO   6           HD3      PRO   6  20.204  -4.948  16.886
   47    HA   PRO   7           HA       PRO   7  17.369  -2.449  10.905
   48    HB2  PRO   7           HB2      PRO   7  18.194   0.404  11.410
   49    HB3  PRO   7           HB3      PRO   7  16.822  -0.208  10.427
   50    HG2  PRO   7           HG2      PRO   7  16.375   0.759  12.913
   51    HG3  PRO   7           HG3      PRO   7  15.580  -0.764  12.388
   52    HD2  PRO   7           HD2      PRO   7  18.046  -0.423  14.108
   53    HD3  PRO   7           HD3      PRO   7  16.656  -1.533  14.329
   54    HA   PRO   8           HA       PRO   8  21.465  -2.734   9.259
   55    HB2  PRO   8           HB2      PRO   8  21.060  -2.201   6.593
   56    HB3  PRO   8           HB3      PRO   8  20.501  -3.701   7.396
   57    HG2  PRO   8           HG2      PRO   8  18.886  -1.216   6.777
   58    HG3  PRO   8           HG3      PRO   8  18.439  -2.934   6.523
   59    HD2  PRO   8           HD2      PRO   8  17.607  -1.502   8.695
   60    HD3  PRO   8           HD3      PRO   8  17.982  -3.248   8.803
   61    H    ASP   9           H        ASP   9  20.167  -0.197   7.148
   62    HA   ASP   9           HA       ASP   9  21.755   1.869   8.470
   63    HB2  ASP   9           HB2      ASP   9  23.018   2.478   6.553
   64    HB3  ASP   9           HB3      ASP   9  23.345   0.775   6.946
   65    H    VAL  10           H        VAL  10  19.006   1.623   8.294
   66    HA   VAL  10           HA       VAL  10  17.796   3.191   6.248
   67    HB   VAL  10           HB       VAL  10  15.929   3.388   7.875
   68   HG11  VAL  10          HG11      VAL  10  17.210   0.624   7.729
   69   HG12  VAL  10          HG12      VAL  10  15.496   0.972   8.041
   70   HG13  VAL  10          HG13      VAL  10  16.204   1.379   6.462
   71   HG21  VAL  10          HG21      VAL  10  17.284   3.614   9.950
   72   HG22  VAL  10          HG22      VAL  10  16.129   2.271  10.070
   73   HG23  VAL  10          HG23      VAL  10  17.853   1.946   9.759
   74    H    GLU  11           H        GLU  11  20.298   4.322   7.638
   75    HA   GLU  11           HA       GLU  11  19.692   6.490   9.299
   76    HB2  GLU  11           HB2      GLU  11  21.992   7.070   8.977
   77    HB3  GLU  11           HB3      GLU  11  21.889   5.300   8.904
   78    HG2  GLU  11           HG2      GLU  11  21.924   5.387   6.434
   79    HG3  GLU  11           HG3      GLU  11  22.017   7.151   6.488
   80    H    GLY  12           H        GLY  12  18.776   6.237   6.090
   81    HA2  GLY  12           HA2      GLY  12  18.179   9.078   5.902
   82    HA3  GLY  12           HA3      GLY  12  19.387   8.514   4.725
   83    H    MET  13           H        MET  13  16.818   6.427   5.953
   84    HA   MET  13           HA       MET  13  15.364   6.586   3.369
   85    HB2  MET  13           HB2      MET  13  16.424   4.049   4.674
   86    HB3  MET  13           HB3      MET  13  15.381   4.113   3.243
   87    HG2  MET  13           HG2      MET  13  17.145   5.560   2.143
   88    HG3  MET  13           HG3      MET  13  18.198   5.215   3.522
   89    HE1  MET  13           HE1      MET  13  19.084   2.813   4.152
   90    HE2  MET  13           HE2      MET  13  17.444   2.124   4.127
   91    HE3  MET  13           HE3      MET  13  18.748   1.336   3.214
   92    H    THR  14           H        THR  14  14.789   7.554   6.069
   93    HA   THR  14           HA       THR  14  13.228   5.932   7.682
   94    HB   THR  14           HB       THR  14  12.991   8.900   7.056
   95   HG21  THR  14          HG21      THR  14  11.935   7.366   9.470
   96   HG22  THR  14          HG22      THR  14  11.969   9.134   9.278
   97   HG23  THR  14          HG23      THR  14  10.946   8.145   8.217
   98    H    SER  15           H        SER  15  12.279   7.270   4.543
   99    HA   SER  15           HA       SER  15   9.441   7.083   5.043
  100    HB2  SER  15           HB2      SER  15  11.060   7.168   2.459
  101    HB3  SER  15           HB3      SER  15   9.294   7.352   2.562
  102    HG   SER  15           HG       SER  15  11.261   9.008   3.770
  103    H    LEU  16           H        LEU  16   7.945   5.564   4.279
  104    HA   LEU  16           HA       LEU  16   9.135   2.883   3.619
  105    HB2  LEU  16           HB2      LEU  16   8.526   3.107   5.965
  106    HB3  LEU  16           HB3      LEU  16   6.859   3.530   5.525
  107    HG   LEU  16           HG       LEU  16   7.351   1.144   6.348
  108   HD11  LEU  16          HD11      LEU  16   5.239   1.966   5.304
  109   HD12  LEU  16          HD12      LEU  16   5.834   1.337   3.739
  110   HD13  LEU  16          HD13      LEU  16   5.561   0.251   5.128
  111   HD21  LEU  16          HD21      LEU  16   9.333   0.842   4.812
  112   HD22  LEU  16          HD22      LEU  16   8.138  -0.465   4.795
  113   HD23  LEU  16          HD23      LEU  16   8.162   0.714   3.466
  114    H    LYS  17           H        LYS  17   8.505   2.043   1.805
  115    HA   LYS  17           HA       LYS  17   6.195   3.250   0.379
  116    HB2  LYS  17           HB2      LYS  17   8.042   3.627  -0.905
  117    HB3  LYS  17           HB3      LYS  17   8.857   2.147  -0.382
  118    HG2  LYS  17           HG2      LYS  17   8.377   1.870  -2.656
  119    HG3  LYS  17           HG3      LYS  17   7.215   0.841  -1.801
  120    HD2  LYS  17           HD2      LYS  17   5.531   2.713  -2.021
  121    HD3  LYS  17           HD3      LYS  17   6.737   3.597  -3.006
  122    HE2  LYS  17           HE2      LYS  17   5.516   0.912  -3.650
  123    HE3  LYS  17           HE3      LYS  17   5.138   2.450  -4.437
  124    HZ1  LYS  17           HZ1      LYS  17   7.791   1.185  -4.434
  125    HZ2  LYS  17           HZ2      LYS  17   6.717   1.103  -5.661
  126    HZ3  LYS  17           HZ3      LYS  17   7.373   2.568  -5.237
  127    H    VAL  18           H        VAL  18   4.616   2.073  -0.504
  128    HA   VAL  18           HA       VAL  18   4.642  -0.895  -0.042
  129    HB   VAL  18           HB       VAL  18   2.562   1.217   0.446
  130   HG11  VAL  18          HG11      VAL  18   2.096  -1.770   0.107
  131   HG12  VAL  18          HG12      VAL  18   0.897  -0.635   0.797
  132   HG13  VAL  18          HG13      VAL  18   1.398  -0.476  -0.886
  133   HG21  VAL  18          HG21      VAL  18   4.117   0.511   2.297
  134   HG22  VAL  18          HG22      VAL  18   2.404   0.206   2.646
  135   HG23  VAL  18          HG23      VAL  18   3.464  -1.134   2.148
  136    H    ASP  19           H        ASP  19   3.847  -2.099  -1.590
  137    HA   ASP  19           HA       ASP  19   3.027  -0.977  -4.229
  138    HB2  ASP  19           HB2      ASP  19   5.094  -3.128  -3.571
  139    HB3  ASP  19           HB3      ASP  19   4.523  -2.748  -5.200
  140    H    ASN  20           H        ASN  20   2.507  -2.951  -5.684
  141    HA   ASN  20           HA       ASN  20   1.286  -4.697  -6.305
  142    HB2  ASN  20           HB2      ASN  20   2.692  -5.821  -4.462
  143    HB3  ASN  20           HB3      ASN  20   1.186  -5.844  -3.527
  144   HD21  ASN  20          HD22      ASN  20   0.234  -7.889  -3.715
  145   HD22  ASN  20          HD21      ASN  20   0.177  -8.798  -5.202
  146    H    LEU  21           H        LEU  21  -0.679  -4.335  -6.971
  147    HA   LEU  21           HA       LEU  21  -2.880  -3.932  -5.009
  148    HB2  LEU  21           HB2      LEU  21  -2.528  -2.411  -7.619
  149    HB3  LEU  21           HB3      LEU  21  -3.791  -2.147  -6.408
  150    HG   LEU  21           HG       LEU  21  -0.822  -1.633  -6.054
  151   HD11  LEU  21          HD11      LEU  21  -1.992  -0.055  -7.572
  152   HD12  LEU  21          HD12      LEU  21  -3.217   0.234  -6.321
  153   HD13  LEU  21          HD13      LEU  21  -1.534   0.740  -6.054
  154   HD21  LEU  21          HD21      LEU  21  -1.201  -0.935  -3.891
  155   HD22  LEU  21          HD22      LEU  21  -2.948  -0.648  -4.157
  156   HD23  LEU  21          HD23      LEU  21  -2.315  -2.295  -3.960
  157    H    THR  22           H        THR  22  -5.052  -3.952  -6.259
  158    HA   THR  22           HA       THR  22  -5.017  -6.081  -8.342
  159    HB   THR  22           HB       THR  22  -5.932  -6.795  -6.134
  160   HG21  THR  22          HG21      THR  22  -8.172  -4.817  -6.728
  161   HG22  THR  22          HG22      THR  22  -8.118  -5.985  -5.397
  162   HG23  THR  22          HG23      THR  22  -6.966  -4.644  -5.427
  163    H    TYR  23           H        TYR  23  -5.145  -2.935  -8.243
  164    HA   TYR  23           HA       TYR  23  -5.834  -1.388  -9.754
  165    HB2  TYR  23           HB2      TYR  23  -6.397  -2.161 -11.710
  166    HB3  TYR  23           HB3      TYR  23  -6.741  -3.743 -11.032
  167    HD1  TYR  23           HD1      TYR  23  -9.186  -3.939  -9.870
  168    HD2  TYR  23           HD2      TYR  23  -8.046  -1.039 -12.838
  169    HE1  TYR  23           HE1      TYR  23 -11.560  -3.662 -10.504
  170    HE2  TYR  23           HE2      TYR  23 -10.431  -0.723 -13.455
  171    HH   TYR  23           HH       TYR  23 -13.060  -2.558 -11.856
  172    H    ARG  24           H        ARG  24  -7.650  -2.789  -7.387
  173    HA   ARG  24           HA       ARG  24  -9.495  -0.440  -7.280
  174    HB2  ARG  24           HB2      ARG  24 -10.585  -2.426  -8.280
  175    HB3  ARG  24           HB3      ARG  24 -10.196  -3.361  -6.837
  176    HG2  ARG  24           HG2      ARG  24 -11.708  -1.967  -5.486
  177    HG3  ARG  24           HG3      ARG  24 -11.936  -0.844  -6.854
  178    HD2  ARG  24           HD2      ARG  24 -12.951  -2.673  -8.167
  179    HD3  ARG  24           HD3      ARG  24 -12.730  -3.782  -6.809
  180    HE   ARG  24           HE       ARG  24 -14.743  -1.656  -7.077
  181   HH11  ARG  24          HH11      ARG  24 -13.101  -3.865  -4.860
  182   HH12  ARG  24          HH12      ARG  24 -14.370  -3.780  -3.657
  183   HH21  ARG  24          HH21      ARG  24 -16.384  -1.582  -5.504
  184   HH22  ARG  24          HH22      ARG  24 -16.226  -2.514  -4.034
  185    H    THR  25           H        THR  25  -6.975  -1.877  -5.812
  186    HA   THR  25           HA       THR  25  -7.697  -2.209  -3.100
  187    HB   THR  25           HB       THR  25  -5.133  -1.093  -4.315
  188   HG21  THR  25          HG21      THR  25  -5.728  -2.440  -1.656
  189   HG22  THR  25          HG22      THR  25  -4.087  -2.115  -2.284
  190   HG23  THR  25          HG23      THR  25  -5.187  -0.767  -1.922
  191    H    SER  26           H        SER  26  -6.650   0.662  -4.917
  192    HA   SER  26           HA       SER  26  -6.689   2.848  -4.569
  193    HB2  SER  26           HB2      SER  26  -9.089   2.055  -2.910
  194    HB3  SER  26           HB3      SER  26  -8.679   3.742  -3.272
  195    HG   SER  26           HG       SER  26 -10.110   2.844  -4.819
  196    HA   PRO  27           HA       PRO  27  -4.256   4.136  -1.122
  197    HB2  PRO  27           HB2      PRO  27  -4.860   6.813  -1.022
  198    HB3  PRO  27           HB3      PRO  27  -3.800   6.043  -2.244
  199    HG2  PRO  27           HG2      PRO  27  -6.694   6.869  -2.466
  200    HG3  PRO  27           HG3      PRO  27  -5.398   7.049  -3.683
  201    HD2  PRO  27           HD2      PRO  27  -7.278   5.054  -3.741
  202    HD3  PRO  27           HD3      PRO  27  -5.631   4.818  -4.368
  203    H    ASP  28           H        ASP  28  -7.733   4.600  -1.088
  204    HA   ASP  28           HA       ASP  28  -7.977   5.611   1.595
  205    HB2  ASP  28           HB2      ASP  28  -9.817   4.065  -0.255
  206    HB3  ASP  28           HB3      ASP  28 -10.341   4.769   1.290
  207    H    THR  29           H        THR  29  -8.249   2.276   0.198
  208    HA   THR  29           HA       THR  29  -8.829   1.051   2.729
  209    HB   THR  29           HB       THR  29  -7.456  -0.195   0.322
  210   HG21  THR  29          HG21      THR  29  -9.249  -1.337   2.512
  211   HG22  THR  29          HG22      THR  29  -8.639  -2.244   1.110
  212   HG23  THR  29          HG23      THR  29  -7.505  -1.623   2.324
  213    H    LEU  30           H        LEU  30  -5.851   1.601   0.805
  214    HA   LEU  30           HA       LEU  30  -4.044   0.307   2.594
  215    HB2  LEU  30           HB2      LEU  30  -3.660   2.674   0.721
  216    HB3  LEU  30           HB3      LEU  30  -2.345   1.740   1.457
  217    HG   LEU  30           HG       LEU  30  -4.473   0.429  -0.267
  218   HD11  LEU  30          HD11      LEU  30  -1.805   1.627  -1.129
  219   HD12  LEU  30          HD12      LEU  30  -2.885   0.643  -2.150
  220   HD13  LEU  30          HD13      LEU  30  -3.430   2.227  -1.565
  221   HD21  LEU  30          HD21      LEU  30  -2.694  -1.266  -0.566
  222   HD22  LEU  30          HD22      LEU  30  -1.599  -0.292   0.444
  223   HD23  LEU  30          HD23      LEU  30  -3.056  -1.032   1.156
  224    H    ARG  31           H        ARG  31  -5.718   3.410   2.744
  225    HA   ARG  31           HA       ARG  31  -3.864   4.777   4.391
  226    HB2  ARG  31           HB2      ARG  31  -6.183   5.490   3.168
  227    HB3  ARG  31           HB3      ARG  31  -6.848   5.141   4.756
  228    HG2  ARG  31           HG2      ARG  31  -4.971   7.318   3.882
  229    HG3  ARG  31           HG3      ARG  31  -6.449   7.431   4.824
  230    HD2  ARG  31           HD2      ARG  31  -5.268   6.404   6.764
  231    HD3  ARG  31           HD3      ARG  31  -3.769   6.371   5.810
  232    HE   ARG  31           HE       ARG  31  -5.028   8.679   7.058
  233   HH11  ARG  31          HH11      ARG  31  -2.870   7.675   4.443
  234   HH12  ARG  31          HH12      ARG  31  -2.011   9.202   4.422
  235   HH21  ARG  31          HH21      ARG  31  -3.893  10.655   6.986
  236   HH22  ARG  31          HH22      ARG  31  -2.605  10.883   5.824
  237    H    ARG  32           H        ARG  32  -6.859   3.032   5.263
  238    HA   ARG  32           HA       ARG  32  -6.149   3.142   8.109
  239    HB2  ARG  32           HB2      ARG  32  -8.362   2.145   8.422
  240    HB3  ARG  32           HB3      ARG  32  -8.447   3.486   7.261
  241    HG2  ARG  32           HG2      ARG  32  -8.015   1.496   5.501
  242    HG3  ARG  32           HG3      ARG  32  -8.780   0.538   6.782
  243    HD2  ARG  32           HD2      ARG  32  -9.872   3.071   5.493
  244    HD3  ARG  32           HD3      ARG  32 -10.408   1.421   5.118
  245    HE   ARG  32           HE       ARG  32 -10.699   1.746   7.895
  246   HH11  ARG  32          HH11      ARG  32 -12.050   3.137   4.937
  247   HH12  ARG  32          HH12      ARG  32 -13.592   3.511   5.675
  248   HH21  ARG  32          HH21      ARG  32 -12.715   2.252   8.835
  249   HH22  ARG  32          HH22      ARG  32 -13.968   3.004   7.878
  250    H    VAL  33           H        VAL  33  -5.351   1.051   5.573
  251    HA   VAL  33           HA       VAL  33  -5.104  -1.355   7.265
  252    HB   VAL  33           HB       VAL  33  -4.525  -0.605   4.399
  253   HG11  VAL  33          HG11      VAL  33  -3.706  -3.177   5.813
  254   HG12  VAL  33          HG12      VAL  33  -3.789  -2.989   4.049
  255   HG13  VAL  33          HG13      VAL  33  -2.638  -2.015   4.979
  256   HG21  VAL  33          HG21      VAL  33  -6.169  -2.819   5.729
  257   HG22  VAL  33          HG22      VAL  33  -6.837  -1.276   5.174
  258   HG23  VAL  33          HG23      VAL  33  -6.150  -2.414   3.987
  259    H    PHE  34           H        PHE  34  -3.223   1.470   6.519
  260    HA   PHE  34           HA       PHE  34  -0.773   0.071   7.544
  261    HB2  PHE  34           HB2      PHE  34  -1.251   2.064   5.324
  262    HB3  PHE  34           HB3      PHE  34   0.257   2.134   6.198
  263    HD1  PHE  34           HD2      PHE  34   1.703   0.074   6.367
  264    HD2  PHE  34           HD1      PHE  34  -1.562   0.445   3.618
  265    HE1  PHE  34           HE2      PHE  34   2.648  -1.799   5.007
  266    HE2  PHE  34           HE1      PHE  34  -0.605  -1.365   2.223
  267    HZ   PHE  34           HZ       PHE  34   1.497  -2.524   2.953
  268    H    GLU  35           H        GLU  35  -2.643   3.162   7.528
  269    HA   GLU  35           HA       GLU  35  -0.848   4.334   9.331
  270    HB2  GLU  35           HB2      GLU  35  -2.347   6.150   9.471
  271    HB3  GLU  35           HB3      GLU  35  -2.710   5.418   7.909
  272    HG2  GLU  35           HG2      GLU  35  -4.822   5.794   8.777
  273    HG3  GLU  35           HG3      GLU  35  -4.545   4.098   9.202
  274    H    LYS  36           H        LYS  36  -3.129   1.827   9.749
  275    HA   LYS  36           HA       LYS  36  -4.095   2.274  12.344
  276    HB2  LYS  36           HB2      LYS  36  -4.596  -0.118  12.330
  277    HB3  LYS  36           HB3      LYS  36  -4.969   0.598  10.746
  278    HG2  LYS  36           HG2      LYS  36  -2.643  -0.202   9.999
  279    HG3  LYS  36           HG3      LYS  36  -2.582  -1.127  11.516
  280    HD2  LYS  36           HD2      LYS  36  -4.509  -1.452   9.200
  281    HD3  LYS  36           HD3      LYS  36  -3.318  -2.619   9.806
  282    HE2  LYS  36           HE2      LYS  36  -4.638  -2.618  11.997
  283    HE3  LYS  36           HE3      LYS  36  -5.881  -1.678  11.132
  284    HZ1  LYS  36           HZ1      LYS  36  -6.359  -4.021  11.090
  285    HZ2  LYS  36           HZ2      LYS  36  -6.068  -3.480   9.569
  286    HZ3  LYS  36           HZ3      LYS  36  -4.921  -4.350  10.369
  287    H    TYR  37           H        TYR  37  -1.013   0.939  11.181
  288    HA   TYR  37           HA       TYR  37  -0.268  -0.085  13.754
  289    HB2  TYR  37           HB2      TYR  37   1.366   0.586  11.276
  290    HB3  TYR  37           HB3      TYR  37   1.992  -0.284  12.685
  291    HD1  TYR  37           HD2      TYR  37   1.200  -2.538  13.238
  292    HD2  TYR  37           HD1      TYR  37  -0.129  -0.500   9.695
  293    HE1  TYR  37           HE2      TYR  37   0.329  -4.682  12.338
  294    HE2  TYR  37           HE1      TYR  37  -0.984  -2.622   8.782
  295    HH   TYR  37           HH       TYR  37  -1.278  -4.880   9.138
  296    H    GLY  38           H        GLY  38  -0.183   3.051  12.239
  297    HA2  GLY  38           HA2      GLY  38   0.356   4.341  14.725
  298    HA3  GLY  38           HA3      GLY  38   1.840   4.338  13.753
  299    H    ARG  39           H        ARG  39   1.303   4.945  11.278
  300    HA   ARG  39           HA       ARG  39  -0.894   6.720  10.789
  301    HB2  ARG  39           HB2      ARG  39   0.906   7.984  12.361
  302    HB3  ARG  39           HB3      ARG  39   1.749   8.165  10.814
  303    HG2  ARG  39           HG2      ARG  39   0.373  10.129  11.313
  304    HG3  ARG  39           HG3      ARG  39  -0.242   9.315   9.866
  305    HD2  ARG  39           HD2      ARG  39  -2.013   8.256  11.164
  306    HD3  ARG  39           HD3      ARG  39  -1.302   8.864  12.678
  307    HE   ARG  39           HE       ARG  39  -1.740  11.181  11.428
  308   HH11  ARG  39          HH11      ARG  39  -3.900   8.354  11.584
  309   HH12  ARG  39          HH12      ARG  39  -5.341   9.337  11.543
  310   HH21  ARG  39          HH21      ARG  39  -3.668  12.397  11.343
  311   HH22  ARG  39          HH22      ARG  39  -5.217  11.590  11.383
  312    H    VAL  40           H        VAL  40  -0.654   7.832   8.659
  313    HA   VAL  40           HA       VAL  40   1.524   6.710   6.988
  314    HB   VAL  40           HB       VAL  40  -1.430   6.905   6.281
  315   HG11  VAL  40          HG11      VAL  40   1.043   6.304   4.601
  316   HG12  VAL  40          HG12      VAL  40  -0.602   5.899   4.102
  317   HG13  VAL  40          HG13      VAL  40  -0.148   7.611   4.342
  318   HG21  VAL  40          HG21      VAL  40  -0.413   4.835   7.526
  319   HG22  VAL  40          HG22      VAL  40  -1.390   4.563   6.049
  320   HG23  VAL  40          HG23      VAL  40   0.386   4.511   5.979
  321    H    GLY  41           H        GLY  41   2.720   8.546   6.922
  322    HA2  GLY  41           HA2      GLY  41   1.835  11.211   6.829
  323    HA3  GLY  41           HA3      GLY  41   3.398  10.612   6.231
  324    H    ASP  42           H        ASP  42   2.029   8.812   4.228
  325    HA   ASP  42           HA       ASP  42   0.682  10.627   2.348
  326    HB2  ASP  42           HB2      ASP  42   3.514   9.560   2.033
  327    HB3  ASP  42           HB3      ASP  42   2.507   9.862   0.618
  328    H    VAL  43           H        VAL  43  -0.650   9.421   1.012
  329    HA   VAL  43           HA       VAL  43   0.003   6.591   0.549
  330    HB   VAL  43           HB       VAL  43  -1.457   7.015   2.714
  331   HG11  VAL  43          HG11      VAL  43  -3.639   6.839   0.635
  332   HG12  VAL  43          HG12      VAL  43  -3.815   6.723   2.391
  333   HG13  VAL  43          HG13      VAL  43  -3.284   8.259   1.678
  334   HG21  VAL  43          HG21      VAL  43  -1.872   4.800   0.728
  335   HG22  VAL  43          HG22      VAL  43  -0.810   4.856   2.184
  336   HG23  VAL  43          HG23      VAL  43  -2.546   4.808   2.377
  337    H    TYR  44           H        TYR  44   0.033   6.553  -1.602
  338    HA   TYR  44           HA       TYR  44  -2.363   7.467  -3.046
  339    HB2  TYR  44           HB2      TYR  44  -1.383   9.070  -4.363
  340    HB3  TYR  44           HB3      TYR  44  -0.689   9.425  -2.792
  341    HD1  TYR  44           HD2      TYR  44   1.731   8.874  -2.354
  342    HD2  TYR  44           HD1      TYR  44  -0.104   8.241  -6.190
  343    HE1  TYR  44           HE2      TYR  44   3.976   8.779  -3.418
  344    HE2  TYR  44           HE1      TYR  44   2.127   8.102  -7.255
  345    HH   TYR  44           HH       TYR  44   4.403   8.250  -6.934
  346    H    ILE  45           H        ILE  45  -2.126   6.984  -5.448
  347    HA   ILE  45           HA       ILE  45  -0.533   4.488  -5.847
  348    HB   ILE  45           HB       ILE  45  -3.400   5.134  -6.586
  349   HG12  ILE  45          HG12      ILE  45  -3.880   2.938  -5.702
  350   HG13  ILE  45          HG13      ILE  45  -2.162   2.629  -5.375
  351   HG21  ILE  45          HG21      ILE  45  -1.549   2.994  -7.727
  352   HG22  ILE  45          HG22      ILE  45  -3.312   3.043  -7.959
  353   HG23  ILE  45          HG23      ILE  45  -2.288   4.325  -8.633
  354   HD11  ILE  45          HD11      ILE  45  -3.620   4.941  -4.088
  355   HD12  ILE  45          HD12      ILE  45  -3.690   3.287  -3.418
  356   HD13  ILE  45          HD13      ILE  45  -2.131   4.104  -3.551
  357    HA   PRO  46           HA       PRO  46   0.892   7.090  -9.327
  358    HB2  PRO  46           HB2      PRO  46   3.049   5.554  -9.973
  359    HB3  PRO  46           HB3      PRO  46   3.036   6.652  -8.560
  360    HG2  PRO  46           HG2      PRO  46   2.463   3.678  -8.610
  361    HG3  PRO  46           HG3      PRO  46   3.565   4.591  -7.506
  362    HD2  PRO  46           HD2      PRO  46   1.038   3.879  -6.813
  363    HD3  PRO  46           HD3      PRO  46   1.768   5.420  -6.266
  364    H    ARG  47           H        ARG  47  -1.329   6.140 -10.036
  365    HA   ARG  47           HA       ARG  47  -1.525   3.755 -11.533
  366    HB2  ARG  47           HB2      ARG  47  -3.102   6.168 -10.962
  367    HB3  ARG  47           HB3      ARG  47  -3.325   5.625 -12.632
  368    HG2  ARG  47           HG2      ARG  47  -3.895   3.394 -11.906
  369    HG3  ARG  47           HG3      ARG  47  -3.723   3.874 -10.188
  370    HD2  ARG  47           HD2      ARG  47  -6.076   4.020 -10.794
  371    HD3  ARG  47           HD3      ARG  47  -5.421   5.671 -10.615
  372    HE   ARG  47           HE       ARG  47  -5.177   4.800 -13.338
  373   HH11  ARG  47          HH11      ARG  47  -7.655   5.861 -11.054
  374   HH12  ARG  47          HH12      ARG  47  -8.682   6.511 -12.315
  375   HH21  ARG  47          HH21      ARG  47  -6.468   5.648 -14.910
  376   HH22  ARG  47          HH22      ARG  47  -8.013   6.381 -14.528
  377    H    ASP  48           H        ASP  48  -2.621   4.218 -13.853
  378    HA   ASP  48           HA       ASP  48  -0.552   4.306 -15.714
  379    HB2  ASP  48           HB2      ASP  48  -2.308   4.086 -17.319
  380    HB3  ASP  48           HB3      ASP  48  -2.876   3.254 -15.862
  381    H    ARG  49           H        ARG  49  -1.071   5.718 -17.853
  382    HA   ARG  49           HA       ARG  49  -1.606   8.539 -17.172
  383    HB2  ARG  49           HB2      ARG  49   0.831   8.209 -16.946
  384    HB3  ARG  49           HB3      ARG  49   0.910   7.517 -18.564
  385    HG2  ARG  49           HG2      ARG  49   1.685   9.867 -18.456
  386    HG3  ARG  49           HG3      ARG  49   0.345   9.649 -19.580
  387    HD2  ARG  49           HD2      ARG  49  -1.240  10.480 -17.841
  388    HD3  ARG  49           HD3      ARG  49   0.125  10.720 -16.734
  389    HE   ARG  49           HE       ARG  49   0.704  12.641 -17.871
  390   HH11  ARG  49          HH11      ARG  49  -1.566  10.786 -19.858
  391   HH12  ARG  49          HH12      ARG  49  -1.810  12.092 -20.996
  392   HH21  ARG  49          HH21      ARG  49   0.372  14.308 -19.396
  393   HH22  ARG  49          HH22      ARG  49  -0.712  14.057 -20.747
  394    H    TYR  50           H        TYR  50  -2.211   5.878 -19.143
  395    HA   TYR  50           HA       TYR  50  -3.462   7.545 -21.190
  396    HB2  TYR  50           HB2      TYR  50  -2.268   6.438 -23.020
  397    HB3  TYR  50           HB3      TYR  50  -1.159   7.362 -22.009
  398    HD1  TYR  50           HD1      TYR  50   0.330   6.144 -20.366
  399    HD2  TYR  50           HD2      TYR  50  -1.984   4.102 -23.356
  400    HE1  TYR  50           HE1      TYR  50   1.767   4.138 -20.096
  401    HE2  TYR  50           HE2      TYR  50  -0.551   2.089 -23.097
  402    HH   TYR  50           HH       TYR  50   2.178   1.986 -20.784
  403    H    THR  51           H        THR  51  -4.149   5.333 -19.072
  404    HA   THR  51           HA       THR  51  -5.725   3.668 -20.952
  405    HB   THR  51           HB       THR  51  -5.152   1.637 -19.776
  406   HG21  THR  51          HG21      THR  51  -3.649   2.335 -21.651
  407   HG22  THR  51          HG22      THR  51  -2.576   3.116 -20.467
  408   HG23  THR  51          HG23      THR  51  -2.824   1.357 -20.420
  409    H    LYS  52           H        LYS  52  -6.748   1.950 -18.951
  410    HA   LYS  52           HA       LYS  52  -8.317   3.803 -17.230
  411    HB2  LYS  52           HB2      LYS  52  -9.386   1.479 -18.899
  412    HB3  LYS  52           HB3      LYS  52 -10.289   2.366 -17.672
  413    HG2  LYS  52           HG2      LYS  52 -11.014   3.422 -19.570
  414    HG3  LYS  52           HG3      LYS  52  -9.726   4.497 -19.030
  415    HD2  LYS  52           HD2      LYS  52  -9.635   4.171 -21.455
  416    HD3  LYS  52           HD3      LYS  52  -8.195   3.445 -20.728
  417    HE2  LYS  52           HE2      LYS  52  -9.246   1.212 -20.837
  418    HE3  LYS  52           HE3      LYS  52 -10.720   1.934 -21.505
  419    HZ1  LYS  52           HZ1      LYS  52  -9.319   1.012 -23.206
  420    HZ2  LYS  52           HZ2      LYS  52  -9.436   2.645 -23.396
  421    HZ3  LYS  52           HZ3      LYS  52  -8.064   1.978 -22.775
  422    H    GLU  53           H        GLU  53  -5.951   2.156 -16.682
  423    HA   GLU  53           HA       GLU  53  -7.037   0.514 -14.467
  424    HB2  GLU  53           HB2      GLU  53  -5.487  -1.324 -15.026
  425    HB3  GLU  53           HB3      GLU  53  -6.684  -1.055 -16.293
  426    HG2  GLU  53           HG2      GLU  53  -5.035   0.221 -17.612
  427    HG3  GLU  53           HG3      GLU  53  -3.812  -0.041 -16.353
  428    H    SER  54           H        SER  54  -4.344  -0.472 -13.771
  429    HA   SER  54           HA       SER  54  -2.978   2.100 -13.108
  430    HB2  SER  54           HB2      SER  54  -2.748   1.397 -10.809
  431    HB3  SER  54           HB3      SER  54  -4.475   1.355 -11.233
  432    HG   SER  54           HG       SER  54  -3.776  -0.522 -10.129
  433    H    ARG  55           H        ARG  55  -0.783   1.637 -12.133
  434    HA   ARG  55           HA       ARG  55   0.740  -0.070 -13.877
  435    HB2  ARG  55           HB2      ARG  55   1.356   1.456 -11.312
  436    HB3  ARG  55           HB3      ARG  55   2.592   0.596 -12.258
  437    HG2  ARG  55           HG2      ARG  55   0.808   2.734 -13.460
  438    HG3  ARG  55           HG3      ARG  55   2.357   3.116 -12.680
  439    HD2  ARG  55           HD2      ARG  55   2.025   1.153 -14.974
  440    HD3  ARG  55           HD3      ARG  55   2.559   2.839 -15.154
  441    HE   ARG  55           HE       ARG  55   4.106   0.570 -14.178
  442   HH11  ARG  55          HH11      ARG  55   3.833   4.093 -14.220
  443   HH12  ARG  55          HH12      ARG  55   5.527   4.351 -13.872
  444   HH21  ARG  55          HH21      ARG  55   6.306   0.922 -13.692
  445   HH22  ARG  55          HH22      ARG  55   6.925   2.550 -13.564
  446    H    GLY  56           H        GLY  56  -0.933  -0.665 -10.913
  447    HA2  GLY  56           HA2      GLY  56  -1.297  -2.872 -10.130
  448    HA3  GLY  56           HA3      GLY  56   0.241  -3.390 -10.827
  449    H    PHE  57           H        PHE  57   0.571  -0.387  -9.135
  450    HA   PHE  57           HA       PHE  57   1.146  -1.683  -6.549
  451    HB2  PHE  57           HB2      PHE  57   3.398  -1.064  -6.462
  452    HB3  PHE  57           HB3      PHE  57   3.215  -1.844  -8.030
  453    HD1  PHE  57           HD2      PHE  57   2.785  -0.152 -10.075
  454    HD2  PHE  57           HD1      PHE  57   4.468   0.983  -6.278
  455    HE1  PHE  57           HE2      PHE  57   3.761   1.898 -11.097
  456    HE2  PHE  57           HE1      PHE  57   5.463   2.990  -7.317
  457    HZ   PHE  57           HZ       PHE  57   5.089   3.461  -9.726
  458    H    ALA  58           H        ALA  58   1.230  -0.285  -4.826
  459    HA   ALA  58           HA       ALA  58   0.091   2.412  -5.323
  460    HB1  ALA  58           HB1      ALA  58  -1.114   1.040  -3.728
  461    HB2  ALA  58           HB2      ALA  58   0.389   0.685  -2.830
  462    HB3  ALA  58           HB3      ALA  58  -0.300   2.328  -2.837
  463    H    PHE  59           H        PHE  59   0.948   3.681  -3.065
  464    HA   PHE  59           HA       PHE  59   3.808   3.481  -2.627
  465    HB2  PHE  59           HB2      PHE  59   3.244   4.764  -4.928
  466    HB3  PHE  59           HB3      PHE  59   2.841   6.082  -3.844
  467    HD1  PHE  59           HD1      PHE  59   5.092   5.669  -1.757
  468    HD2  PHE  59           HD2      PHE  59   5.074   5.502  -6.062
  469    HE1  PHE  59           HE1      PHE  59   7.494   6.249  -1.800
  470    HE2  PHE  59           HE2      PHE  59   7.465   6.076  -6.101
  471    HZ   PHE  59           HZ       PHE  59   8.693   6.462  -3.951
  472    H    VAL  60           H        VAL  60   2.377   2.932  -0.736
  473    HA   VAL  60           HA       VAL  60   1.585   5.434   0.605
  474    HB   VAL  60           HB       VAL  60   1.091   4.384   2.463
  475   HG11  VAL  60          HG11      VAL  60   0.841   1.991   0.613
  476   HG12  VAL  60          HG12      VAL  60  -0.048   2.310   2.124
  477   HG13  VAL  60          HG13      VAL  60  -0.255   3.365   0.708
  478   HG21  VAL  60          HG21      VAL  60   3.089   3.672   3.314
  479   HG22  VAL  60          HG22      VAL  60   2.030   2.274   3.358
  480   HG23  VAL  60          HG23      VAL  60   3.298   2.414   2.077
  481    H    ARG  61           H        ARG  61   2.874   6.477   2.316
  482    HA   ARG  61           HA       ARG  61   5.736   5.782   2.507
  483    HB2  ARG  61           HB2      ARG  61   6.164   7.103   0.795
  484    HB3  ARG  61           HB3      ARG  61   4.757   8.169   1.025
  485    HG2  ARG  61           HG2      ARG  61   5.857   9.228   2.958
  486    HG3  ARG  61           HG3      ARG  61   7.192   8.059   2.855
  487    HD2  ARG  61           HD2      ARG  61   7.657   8.944   0.530
  488    HD3  ARG  61           HD3      ARG  61   6.483  10.232   0.849
  489    HE   ARG  61           HE       ARG  61   9.153   9.859   2.076
  490   HH11  ARG  61          HH11      ARG  61   6.115  11.726   2.126
  491   HH12  ARG  61          HH12      ARG  61   6.844  13.052   2.978
  492   HH21  ARG  61          HH21      ARG  61  10.028  11.595   3.183
  493   HH22  ARG  61          HH22      ARG  61   9.040  12.984   3.590
  494    H    PHE  62           H        PHE  62   5.906   5.499   4.553
  495    HA   PHE  62           HA       PHE  62   4.422   7.131   6.491
  496    HB2  PHE  62           HB2      PHE  62   6.534   5.000   6.748
  497    HB3  PHE  62           HB3      PHE  62   5.868   5.893   8.111
  498    HD1  PHE  62           HD1      PHE  62   3.798   4.786   5.159
  499    HD2  PHE  62           HD2      PHE  62   4.864   4.165   9.290
  500    HE1  PHE  62           HE1      PHE  62   1.873   3.324   5.405
  501    HE2  PHE  62           HE2      PHE  62   2.942   2.632   9.534
  502    HZ   PHE  62           HZ       PHE  62   1.504   2.123   7.620
  503    H    HIS  63           H        HIS  63   5.306   8.575   7.864
  504    HA   HIS  63           HA       HIS  63   7.633  10.112   6.912
  505    HB2  HIS  63           HB2      HIS  63   6.649  11.769   8.565
  506    HB3  HIS  63           HB3      HIS  63   5.556  11.297   7.252
  507    HD2  HIS  63           HD2      HIS  63   3.264  11.707   8.632
  508    HE1  HIS  63           HE1      HIS  63   3.901   8.743  11.607
  509    HE2  HIS  63           HE2      HIS  63   2.216  10.395  10.623
  510    H    ASP  64           H        ASP  64   7.070   7.592   9.070
  511    HA   ASP  64           HA       ASP  64   9.391   8.317  10.743
  512    HB2  ASP  64           HB2      ASP  64   7.311   9.101  11.896
  513    HB3  ASP  64           HB3      ASP  64   6.733   7.423  11.911
  514    H    LYS  65           H        LYS  65  10.725   6.693  10.490
  515    HA   LYS  65           HA       LYS  65  10.165   4.251   9.267
  516    HB2  LYS  65           HB2      LYS  65  12.414   3.641   9.832
  517    HB3  LYS  65           HB3      LYS  65  12.340   5.358   9.446
  518    HG2  LYS  65           HG2      LYS  65  11.945   5.423  12.173
  519    HG3  LYS  65           HG3      LYS  65  12.971   3.984  12.017
  520    HD2  LYS  65           HD2      LYS  65  13.543   6.812  11.036
  521    HD3  LYS  65           HD3      LYS  65  14.360   5.988  12.370
  522    HE2  LYS  65           HE2      LYS  65  15.374   4.398  10.842
  523    HE3  LYS  65           HE3      LYS  65  14.401   5.001   9.489
  524    HZ1  LYS  65           HZ1      LYS  65  16.431   6.563  10.950
  525    HZ2  LYS  65           HZ2      LYS  65  16.598   5.920   9.442
  526    HZ3  LYS  65           HZ3      LYS  65  15.511   7.117   9.701
  527    H    ARG  66           H        ARG  66   9.695   5.128  12.647
  528    HA   ARG  66           HA       ARG  66   9.886   2.410  13.666
  529    HB2  ARG  66           HB2      ARG  66   8.553   4.898  14.815
  530    HB3  ARG  66           HB3      ARG  66   8.894   3.401  15.704
  531    HG2  ARG  66           HG2      ARG  66  10.932   5.319  14.498
  532    HG3  ARG  66           HG3      ARG  66  10.599   5.052  16.221
  533    HD2  ARG  66           HD2      ARG  66  11.341   2.673  15.946
  534    HD3  ARG  66           HD3      ARG  66  11.764   3.035  14.259
  535    HE   ARG  66           HE       ARG  66  13.011   4.848  16.145
  536   HH11  ARG  66          HH11      ARG  66  13.263   1.655  14.628
  537   HH12  ARG  66          HH12      ARG  66  14.991   1.554  14.862
  538   HH21  ARG  66          HH21      ARG  66  15.271   4.696  16.404
  539   HH22  ARG  66          HH22      ARG  66  16.129   3.279  15.840
  540    H    ASP  67           H        ASP  67   7.115   4.593  12.881
  541    HA   ASP  67           HA       ASP  67   5.128   2.580  13.394
  542    HB2  ASP  67           HB2      ASP  67   5.063   5.009  11.550
  543    HB3  ASP  67           HB3      ASP  67   3.657   4.065  12.044
  544    H    ALA  68           H        ALA  68   7.306   3.275  10.758
  545    HA   ALA  68           HA       ALA  68   5.923   1.731   8.729
  546    HB1  ALA  68           HB1      ALA  68   8.331   2.094   7.726
  547    HB2  ALA  68           HB2      ALA  68   7.264   3.522   7.982
  548    HB3  ALA  68           HB3      ALA  68   8.563   3.140   9.129
  549    H    GLU  69           H        GLU  69   8.535   1.146  11.139
  550    HA   GLU  69           HA       GLU  69   9.491  -1.307  10.098
  551    HB2  GLU  69           HB2      GLU  69   9.351  -0.008  12.817
  552    HB3  GLU  69           HB3      GLU  69   9.720  -1.730  12.719
  553    HG2  GLU  69           HG2      GLU  69  11.584  -1.198  11.120
  554    HG3  GLU  69           HG3      GLU  69  11.252   0.516  11.319
  555    H    ASP  70           H        ASP  70   6.804  -0.636  12.441
  556    HA   ASP  70           HA       ASP  70   6.276  -3.469  12.724
  557    HB2  ASP  70           HB2      ASP  70   4.564  -1.063  13.445
  558    HB3  ASP  70           HB3      ASP  70   4.326  -2.741  13.979
  559    H    ALA  71           H        ALA  71   4.741  -0.806  10.816
  560    HA   ALA  71           HA       ALA  71   2.543  -2.314   9.890
  561    HB1  ALA  71           HB1      ALA  71   4.057  -0.132   8.368
  562    HB2  ALA  71           HB2      ALA  71   2.375  -0.637   8.137
  563    HB3  ALA  71           HB3      ALA  71   2.846   0.183   9.633
  564    H    MET  72           H        MET  72   5.794  -1.829   8.429
  565    HA   MET  72           HA       MET  72   5.346  -3.467   6.141
  566    HB2  MET  72           HB2      MET  72   7.129  -1.851   6.224
  567    HB3  MET  72           HB3      MET  72   7.785  -2.547   7.709
  568    HG2  MET  72           HG2      MET  72   8.619  -4.449   6.628
  569    HG3  MET  72           HG3      MET  72   7.691  -4.155   5.154
  570    HE1  MET  72           HE1      MET  72  10.281  -2.412   7.555
  571    HE2  MET  72           HE2      MET  72  11.050  -1.233   6.460
  572    HE3  MET  72           HE3      MET  72   9.348  -1.044   6.908
  573    H    ASP  73           H        ASP  73   6.658  -4.218   9.414
  574    HA   ASP  73           HA       ASP  73   7.265  -6.944   8.735
  575    HB2  ASP  73           HB2      ASP  73   8.400  -5.656  10.528
  576    HB3  ASP  73           HB3      ASP  73   6.890  -5.617  11.446
  577    H    ALA  74           H        ALA  74   4.304  -5.405   9.020
  578    HA   ALA  74           HA       ALA  74   2.965  -7.946   9.799
  579    HB1  ALA  74           HB1      ALA  74   2.197  -5.103  10.545
  580    HB2  ALA  74           HB2      ALA  74   1.274  -6.575  10.960
  581    HB3  ALA  74           HB3      ALA  74   2.901  -6.312  11.639
  582    H    MET  75           H        MET  75   3.610  -6.076   7.209
  583    HA   MET  75           HA       MET  75   0.912  -6.575   6.046
  584    HB2  MET  75           HB2      MET  75   2.571  -4.046   5.916
  585    HB3  MET  75           HB3      MET  75   1.396  -4.448   4.674
  586    HG2  MET  75           HG2      MET  75   0.794  -4.194   7.645
  587    HG3  MET  75           HG3      MET  75   0.426  -2.993   6.403
  588    HE1  MET  75           HE1      MET  75  -0.333  -5.398   4.075
  589    HE2  MET  75           HE2      MET  75  -2.077  -5.084   4.111
  590    HE3  MET  75           HE3      MET  75  -0.916  -3.720   4.177
  591    H    ASP  76           H        ASP  76   4.436  -6.769   5.580
  592    HA   ASP  76           HA       ASP  76   4.309  -6.862   2.749
  593    HB2  ASP  76           HB2      ASP  76   6.389  -6.624   4.098
  594    HB3  ASP  76           HB3      ASP  76   6.235  -8.319   4.599
  595    H    GLY  77           H        GLY  77   3.488  -8.361   1.391
  596    HA2  GLY  77           HA2      GLY  77   2.463 -10.239   0.607
  597    HA3  GLY  77           HA3      GLY  77   3.529 -11.166   1.691
  598    H    ALA  78           H        ALA  78   1.090  -8.760   2.650
  599    HA   ALA  78           HA       ALA  78  -0.124 -10.779   4.427
  600    HB1  ALA  78           HB1      ALA  78  -0.486  -7.769   4.246
  601    HB2  ALA  78           HB2      ALA  78  -1.125  -8.817   5.534
  602    HB3  ALA  78           HB3      ALA  78   0.629  -8.628   5.341
  603    H    VAL  79           H        VAL  79  -0.706  -9.980   1.320
  604    HA   VAL  79           HA       VAL  79  -2.557  -9.695  -0.003
  605    HB   VAL  79           HB       VAL  79  -2.393 -11.893  -0.335
  606   HG11  VAL  79          HG11      VAL  79  -3.175 -12.477   2.537
  607   HG12  VAL  79          HG12      VAL  79  -2.829 -13.690   1.275
  608   HG13  VAL  79          HG13      VAL  79  -1.546 -12.593   1.804
  609   HG21  VAL  79          HG21      VAL  79  -4.716 -11.123  -0.604
  610   HG22  VAL  79          HG22      VAL  79  -4.434 -12.878  -0.526
  611   HG23  VAL  79          HG23      VAL  79  -5.118 -12.037   0.884
  612    H    LEU  80           H        LEU  80  -3.097  -7.734   0.939
  613    HA   LEU  80           HA       LEU  80  -5.130  -7.263   2.800
  614    HB2  LEU  80           HB2      LEU  80  -3.522  -5.678   1.975
  615    HB3  LEU  80           HB3      LEU  80  -4.098  -5.860   0.319
  616    HG   LEU  80           HG       LEU  80  -5.785  -4.623   2.537
  617   HD11  LEU  80          HD11      LEU  80  -4.099  -3.363   0.342
  618   HD12  LEU  80          HD12      LEU  80  -5.039  -2.503   1.597
  619   HD13  LEU  80          HD13      LEU  80  -3.597  -3.464   2.033
  620   HD21  LEU  80          HD21      LEU  80  -7.226  -5.251   0.693
  621   HD22  LEU  80          HD22      LEU  80  -6.805  -3.564   0.382
  622   HD23  LEU  80          HD23      LEU  80  -5.966  -4.866  -0.499
  623    H    ASP  81           H        ASP  81  -5.378  -8.133  -0.691
  624    HA   ASP  81           HA       ASP  81  -8.355  -7.908  -0.404
  625    HB2  ASP  81           HB2      ASP  81  -7.417  -6.095  -1.788
  626    HB3  ASP  81           HB3      ASP  81  -6.648  -7.291  -2.833
  627    H    GLY  82           H        GLY  82  -5.655  -9.681  -1.929
  628    HA2  GLY  82           HA2      GLY  82  -6.321 -12.193  -1.550
  629    HA3  GLY  82           HA3      GLY  82  -7.507 -11.824  -2.842
  630    H    ARG  83           H        ARG  83  -4.220 -10.587  -2.425
  631    HA   ARG  83           HA       ARG  83  -3.189 -12.194  -4.730
  632    HB2  ARG  83           HB2      ARG  83  -1.996  -9.856  -5.228
  633    HB3  ARG  83           HB3      ARG  83  -3.568 -10.251  -5.935
  634    HG2  ARG  83           HG2      ARG  83  -4.765  -8.954  -4.312
  635    HG3  ARG  83           HG3      ARG  83  -3.332  -8.758  -3.295
  636    HD2  ARG  83           HD2      ARG  83  -2.307  -7.319  -4.980
  637    HD3  ARG  83           HD3      ARG  83  -3.690  -7.576  -6.061
  638    HE   ARG  83           HE       ARG  83  -5.009  -6.165  -4.732
  639   HH11  ARG  83          HH11      ARG  83  -1.934  -6.830  -3.110
  640   HH12  ARG  83          HH12      ARG  83  -2.204  -5.622  -1.882
  641   HH21  ARG  83          HH21      ARG  83  -5.366  -4.693  -3.018
  642   HH22  ARG  83          HH22      ARG  83  -4.127  -4.467  -1.799
  643    H    GLU  84           H        GLU  84  -2.313  -9.758  -2.314
  644    HA   GLU  84           HA       GLU  84  -0.696 -10.645  -0.525
  645    HB2  GLU  84           HB2      GLU  84   0.637 -11.317  -3.085
  646    HB3  GLU  84           HB3      GLU  84   1.641 -10.400  -1.956
  647    HG2  GLU  84           HG2      GLU  84   1.298 -11.971  -0.184
  648    HG3  GLU  84           HG3      GLU  84   0.027 -12.808  -1.054
  649    H    LEU  85           H        LEU  85   0.983  -8.975   0.137
  650    HA   LEU  85           HA       LEU  85   0.573  -6.378  -1.275
  651    HB2  LEU  85           HB2      LEU  85  -0.425  -7.090   1.195
  652    HB3  LEU  85           HB3      LEU  85   1.161  -6.462   1.645
  653    HG   LEU  85           HG       LEU  85  -0.652  -4.812   1.841
  654   HD11  LEU  85          HD11      LEU  85   1.230  -4.005  -0.390
  655   HD12  LEU  85          HD12      LEU  85   0.423  -2.969   0.803
  656   HD13  LEU  85          HD13      LEU  85   1.698  -4.098   1.332
  657   HD21  LEU  85          HD21      LEU  85  -1.983  -5.650  -0.104
  658   HD22  LEU  85          HD22      LEU  85  -1.765  -3.885  -0.068
  659   HD23  LEU  85          HD23      LEU  85  -0.800  -4.858  -1.195
  660    H    ARG  86           H        ARG  86   2.509  -4.896  -0.803
  661    HA   ARG  86           HA       ARG  86   4.989  -6.425  -0.186
  662    HB2  ARG  86           HB2      ARG  86   4.387  -4.768  -2.667
  663    HB3  ARG  86           HB3      ARG  86   6.033  -5.188  -2.165
  664    HG2  ARG  86           HG2      ARG  86   3.831  -7.158  -2.897
  665    HG3  ARG  86           HG3      ARG  86   5.223  -6.698  -3.902
  666    HD2  ARG  86           HD2      ARG  86   6.737  -7.515  -2.067
  667    HD3  ARG  86           HD3      ARG  86   5.303  -8.106  -1.202
  668    HE   ARG  86           HE       ARG  86   6.403  -9.160  -3.771
  669   HH11  ARG  86          HH11      ARG  86   4.095  -9.440  -1.095
  670   HH12  ARG  86          HH12      ARG  86   3.713 -11.109  -1.476
  671   HH21  ARG  86          HH21      ARG  86   5.816 -11.334  -4.237
  672   HH22  ARG  86          HH22      ARG  86   4.629 -12.137  -3.224
  673    H    VAL  87           H        VAL  87   6.289  -5.302   1.145
  674    HA   VAL  87           HA       VAL  87   5.950  -2.356   1.221
  675    HB   VAL  87           HB       VAL  87   6.043  -4.053   3.744
  676   HG11  VAL  87          HG11      VAL  87   5.419  -1.150   3.060
  677   HG12  VAL  87          HG12      VAL  87   5.211  -1.868   4.682
  678   HG13  VAL  87          HG13      VAL  87   6.825  -1.751   3.933
  679   HG21  VAL  87          HG21      VAL  87   3.993  -4.707   2.754
  680   HG22  VAL  87          HG22      VAL  87   3.610  -3.472   3.960
  681   HG23  VAL  87          HG23      VAL  87   3.622  -3.059   2.222
  682    H    GLN  88           H        GLN  88   7.744  -1.230   1.637
  683    HA   GLN  88           HA       GLN  88  10.254  -2.346   2.574
  684    HB2  GLN  88           HB2      GLN  88  11.388  -2.022   0.327
  685    HB3  GLN  88           HB3      GLN  88  10.307  -3.425   0.404
  686    HG2  GLN  88           HG2      GLN  88   8.507  -2.141  -0.690
  687    HG3  GLN  88           HG3      GLN  88   9.550  -0.717  -0.763
  688   HE21  GLN  88          HE22      GLN  88   8.354  -1.791  -3.055
  689   HE22  GLN  88          HE21      GLN  88   9.597  -2.488  -4.073
  690    H    MET  89           H        MET  89  11.718  -0.711   3.008
  691    HA   MET  89           HA       MET  89  10.913   1.914   3.379
  692    HB2  MET  89           HB2      MET  89  13.621   0.648   2.898
  693    HB3  MET  89           HB3      MET  89  13.441   2.360   3.351
  694    HG2  MET  89           HG2      MET  89  12.091   0.143   4.916
  695    HG3  MET  89           HG3      MET  89  13.750   0.621   5.258
  696    HE1  MET  89           HE1      MET  89  12.387   0.765   7.693
  697    HE2  MET  89           HE2      MET  89  11.237   2.075   8.080
  698    HE3  MET  89           HE3      MET  89  10.755   0.768   6.967
  699    H    ALA  90           H        ALA  90  10.705   3.696   2.129
  700    HA   ALA  90           HA       ALA  90  10.713   3.425  -0.764
  701    HB1  ALA  90           HB1      ALA  90   9.032   4.720   0.613
  702    HB2  ALA  90           HB2      ALA  90  10.304   5.922   0.912
  703    HB3  ALA  90           HB3      ALA  90   9.745   5.602  -0.749
  704    H    ARG  91           H        ARG  91  13.289   3.774   1.243
  705    HA   ARG  91           HA       ARG  91  15.247   4.857   1.275
  706    HB2  ARG  91           HB2      ARG  91  16.565   4.771  -0.789
  707    HB3  ARG  91           HB3      ARG  91  15.809   3.260  -0.264
  708    HG2  ARG  91           HG2      ARG  91  15.646   3.276  -2.578
  709    HG3  ARG  91           HG3      ARG  91  14.016   3.629  -1.991
  710    HD2  ARG  91           HD2      ARG  91  14.291   5.995  -2.576
  711    HD3  ARG  91           HD3      ARG  91  16.008   5.745  -2.917
  712    HE   ARG  91           HE       ARG  91  15.468   4.987  -5.018
  713   HH11  ARG  91          HH11      ARG  91  12.562   4.806  -3.027
  714   HH12  ARG  91          HH12      ARG  91  11.553   4.247  -4.348
  715   HH21  ARG  91          HH21      ARG  91  14.151   4.288  -6.715
  716   HH22  ARG  91          HH22      ARG  91  12.447   4.004  -6.441
  717    H    TYR  92           H        TYR  92  13.360   6.671   1.603
  718    HA   TYR  92           HA       TYR  92  14.627   9.070   0.405
  719    HB2  TYR  92           HB2      TYR  92  11.699   8.351   0.590
  720    HB3  TYR  92           HB3      TYR  92  12.265  10.005   0.247
  721    HD1  TYR  92           HD2      TYR  92  14.377   9.625  -1.725
  722    HD2  TYR  92           HD1      TYR  92  10.671   7.518  -1.249
  723    HE1  TYR  92           HE2      TYR  92  14.394   9.051  -4.145
  724    HE2  TYR  92           HE1      TYR  92  10.718   6.843  -3.622
  725    HH   TYR  92           HH       TYR  92  11.819   7.070  -5.654
  726    H    GLY  93           H        GLY  93  13.945  11.065   1.696
  727    HA2  GLY  93           HA2      GLY  93  12.787  10.865   4.285
  728    HA3  GLY  93           HA3      GLY  93  14.544  10.721   4.428
  729    H    ARG  94           H        ARG  94  13.784  12.787   5.707
  730    HA   ARG  94           HA       ARG  94  13.112  15.207   4.496
  731    HB2  ARG  94           HB2      ARG  94  13.210  14.719   6.928
  732    HB3  ARG  94           HB3      ARG  94  14.972  14.676   6.841
  733    HG2  ARG  94           HG2      ARG  94  14.327  16.819   7.710
  734    HG3  ARG  94           HG3      ARG  94  14.938  17.082   6.072
  735    HD2  ARG  94           HD2      ARG  94  12.628  17.214   5.211
  736    HD3  ARG  94           HD3      ARG  94  11.990  16.810   6.810
  737    HE   ARG  94           HE       ARG  94  13.177  19.377   5.948
  738   HH11  ARG  94          HH11      ARG  94  11.805  17.433   8.571
  739   HH12  ARG  94          HH12      ARG  94  11.570  18.809   9.622
  740   HH21  ARG  94          HH21      ARG  94  12.906  21.139   7.368
  741   HH22  ARG  94          HH22      ARG  94  12.144  20.897   8.923
  742    HA   PRO  95           HA       PRO  95  16.912  15.666   2.086
  743    HB2  PRO  95           HB2      PRO  95  16.114  17.695   0.467
  744    HB3  PRO  95           HB3      PRO  95  15.441  16.041   0.307
  745    HG2  PRO  95           HG2      PRO  95  14.239  18.399   1.790
  746    HG3  PRO  95           HG3      PRO  95  13.440  17.334   0.588
  747    HD2  PRO  95           HD2      PRO  95  13.213  16.936   3.282
  748    HD3  PRO  95           HD3      PRO  95  13.277  15.563   2.128
  749    HA   PRO  96           HA       PRO  96  18.840  19.084   4.179
  750    HB2  PRO  96           HB2      PRO  96  20.888  19.749   2.497
  751    HB3  PRO  96           HB3      PRO  96  20.822  18.161   3.334
  752    HG2  PRO  96           HG2      PRO  96  19.907  18.819   0.518
  753    HG3  PRO  96           HG3      PRO  96  21.002  17.493   1.030
  754    HD2  PRO  96           HD2      PRO  96  18.338  17.091   0.638
  755    HD3  PRO  96           HD3      PRO  96  19.211  16.266   1.965
  756    H    ASP  97           H        ASP  97  17.139  19.459   1.232
  757    HA   ASP  97           HA       ASP  97  17.635  22.273   0.787
  758    HB2  ASP  97           HB2      ASP  97  15.387  20.438  -0.127
  759    HB3  ASP  97           HB3      ASP  97  15.698  22.066  -0.744
  760    H    SER  98           H        SER  98  16.091  20.745   3.333
  761    HA   SER  98           HA       SER  98  14.623  23.203   4.004
  762    HB2  SER  98           HB2      SER  98  12.543  22.019   4.477
  763    HB3  SER  98           HB3      SER  98  12.983  21.799   2.774
  764    HG   SER  98           HG       SER  98  12.383  19.834   3.711
  765    H    HIS  99           H        HIS  99  16.946  21.215   4.919
  766    HA   HIS  99           HA       HIS  99  16.360  21.512   7.784
  767    HB2  HIS  99           HB2      HIS  99  15.379  19.318   7.114
  768    HB3  HIS  99           HB3      HIS  99  16.962  18.825   6.494
  769    HD2  HIS  99           HD2      HIS  99  17.873  17.067   8.149
  770    HE1  HIS  99           HE1      HIS  99  16.967  18.985  11.839
  771    HE2  HIS  99           HE2      HIS  99  18.069  16.953  10.757
  772    H    HIS 100           H        HIS 100  18.315  20.938   9.104
  773    HA   HIS 100           HA       HIS 100  20.879  20.765   7.698
  774    HB2  HIS 100           HB2      HIS 100  20.293  23.195   7.589
  775    HB3  HIS 100           HB3      HIS 100  20.126  23.212   9.345
  776    HD2  HIS 100           HD2      HIS 100  22.186  24.434  10.319
  777    HE1  HIS 100           HE1      HIS 100  25.246  22.787   7.872
  778    HE2  HIS 100           HE2      HIS 100  24.754  24.342   9.832
  779    H    SER 101           H        SER 101  22.698  20.645   9.308
  780    HA   SER 101           HA       SER 101  21.978  20.084  12.089
  781    HB2  SER 101           HB2      SER 101  22.886  17.775  12.009
  782    HB3  SER 101           HB3      SER 101  21.422  17.955  11.024
  783    HG   SER 101           HG       SER 101  23.110  16.838   9.915