*HEADER    RNA BINDING PROTEIN/RNA                 15-JUN-11   2LEB              
*TITLE     SOLUTION STRUCTURE OF HUMAN SRSF2 (SC35) RRM IN COMPLEX WITH 5'-      
*TITLE    2 UCCAGU-3'                                                            
*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;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: RNA (5'-R(*UP*CP*CP*AP*GP*U)-3');                          
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 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;                                    
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES                                                       
*KEYWDS    SR PROTEIN, SPLICING FACTOR, RNA PROTEIN COMPLEX, RNA BINDING         
*KEYWDS   2 PROTEIN-RNA COMPLEX                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.M.DAUBNER, A.CLERY, S.JAYNE, J.STEVENIN, F.H.-T.ALLAIN              
*REVDAT   1   23-NOV-11 2LEB    0                                                


#
# 13 MET QB 63 HIS HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,

      rk2=50, rk3=50, ir6=1, ialtd=0,
 igr1= 180, 181,
 &end
#
# 20 ASN QD2 84 GLU HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 296, 297,
 &end
#
# 20 ASN QD2 84 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 296, 297,
 &end
#
# 34 PHE QD 75 MET QB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 535, 543,
 igr2=1202,1203,
 &end
#
# 34 PHE QD 40 VAL HB 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 535, 543,
 &end
#
# 33 VAL QQG 34 PHE QD 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 40 VAL QQG 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 535, 543,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 30 LEU HA 34 PHE QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 535, 543,
 &end
#
# 31 ARG HA 34 PHE QD 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 40 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 535, 543,
 &end
#
# 34 PHE QD 37 TYR HB2 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 535, 543,
 &end
#
# 34 PHE QD 37 TYR HB3 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 535, 543,
 &end
#
# 34 PHE QD 71 ALA HA 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 535, 543,
 &end
#
# 33 VAL HB 34 PHE QD 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 535, 543,
 &end
#
# 30 LEU HB2 34 PHE QD 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 535, 543,
 &end
#
# 34 PHE QD 60 VAL QQG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 535, 543,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL HA 62 PHE HZ 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1017, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 37 TYR HB2 62 PHE HZ 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1017, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 34 PHE HB3 62 PHE HZ 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,1017, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 34 PHE HB2 62 PHE HZ 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,1017, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 37 TYR HB3 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 PHE HZ 71 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 VAL HB 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 640,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 VAL QQG 62 PHE HZ 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE QD 37 TYR QD 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 535, 543,
 igr2= 592, 601,
 &end
#
# 37 TYR QD 62 PHE HZ 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 592, 601,
 &end
#
# 37 TYR QD 71 ALA HA 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 592, 601,
 &end
#
# 36 LYS QG 37 TYR QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 569, 570,
 igr2= 592, 601,
 &end
#
# 39 ARG QB 62 PHE QD 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 616, 617,
 igr2=1013,1021,
 &end
#
# 61 ARG QB 62 PHE QD 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 985, 986,
 igr2=1013,1021,
 &end
#
# 36 LYS QD 37 TYR QD 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 572, 573,
 igr2= 592, 601,
 &end
#
# 36 LYS HB3 37 TYR QD 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 592, 601,
 &end
#
# 49 ARG QB 50 TYR QD 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 781, 782,
 igr2= 809, 818,
 &end
#
# 16 LEU HA 62 PHE QD 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1013,1021,
 &end
#
# 35 GLU HA 37 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 601,
 &end
#
# 62 PHE HA 62 PHE QD 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1013,1021,
 &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
#
# 39 ARG QG 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= 619, 620,
 igr2=1013,1021,
 &end
#
# 37 TYR QD 75 MET QG 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 592, 601,
 igr2=1205,1206,
 &end
#
# 16 LEU QB 62 PHE QD 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 222, 223,
 igr2=1013,1021,
 &end
#
# 37 TYR QD 71 ALA QB 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 592, 601,
 igr2=1153,1154,1155,
 &end
#
# 36 LYS QG 37 TYR QD 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 569, 570,
 igr2= 592, 601,
 &end
#
# 37 TYR QD 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= 592, 601,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 60 VAL QQG 62 PHE QD 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1013,1021,
 &end
#
# 57 PHE HA 57 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 925, 929,
 &end
#
# 45 ILE HA 57 PHE QE 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 925, 929,
 &end
#
# 59 PHE QE 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= 955, 959,
 igr2= 991, 992,
 &end
#
# 46 PRO QB 57 PHE QE 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= 925, 929,
 &end
#
# 17 LYS HB2 59 PHE QE 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 955, 959,
 &end
#
# 17 LYS QD 59 PHE QE 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 247, 248,
 igr2= 955, 959,
 &end
#
# 46 PRO QD 57 PHE QE 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 728, 729,
 igr2= 925, 929,
 &end
#
# 46 PRO QG 57 PHE QE 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 731, 732,
 igr2= 925, 929,
 &end
#
# 17 LYS QE 59 PHE QE 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 250, 251,
 igr2= 955, 959,
 &end
#
# 3 TYR QD 43 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  40,  49,
 &end
#
# 62 PHE QE 75 MET QE 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1015,1019,
 igr2=1209,1210,1211,
 &end
#
# 46 PRO QB 57 PHE HZ 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 734, 735,
 &end
#
# 34 PHE QD 62 PHE QE 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 535, 543,
 igr2=1015,1019,
 &end
#
# 35 GLU HA 62 PHE QE 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1015,1019,
 &end
#
# 62 PHE HA 62 PHE QE 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1015,1019,
 &end
#
# 40 VAL HA 62 PHE QE 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1015,1019,
 &end
#
# 37 TYR HB2 62 PHE QE 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1015,1019,
 &end
#
# 60 VAL HB 62 PHE QE 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1015,1019,
 &end
#
# 62 PHE QE 71 ALA QB 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1015,1019,
 igr2=1153,1154,1155,
 &end
#
# 16 LEU QQD 62 PHE QE 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1015,1019,
 &end
#
# 91 ARG QB 92 TYR QD 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1444,1445,
 igr2=1472,1481,
 &end
#
# 34 PHE QE 62 PHE HZ 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 537, 541,
 &end
#
# 30 LEU HA 34 PHE QE 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 537, 541,
 &end
#
# 34 PHE HZ 75 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL HB 34 PHE HZ 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 539, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 18 VAL HB 34 PHE QE 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 75 MET QG 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 537, 541,
 igr2=1205,1206,
 &end
#
# 30 LEU HB3 34 PHE QE 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 537, 541,
 &end
#
# 34 PHE QE 60 VAL QQG 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
 igr1= 537, 541,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 44 TYR QD 46 PRO QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 695, 704,
 igr2= 728, 729,
 &end
#
# 88 GLN QB 88 GLN QE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1400,1401,
 igr2=1408,1409,
 &end
#
# 23 TYR QE 24 ARG QG 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 344, 349,
 igr2= 362, 363,
 &end
#
# 22 THR HB 23 TYR QE 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 344, 349,
 &end
#
# 20 ASN QD2 84 GLU HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 296, 297,
 &end
#
# 23 TYR QE 24 ARG QD 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 344, 349,
 igr2= 365, 366,
 &end
#
# 23 TYR QE 24 ARG HB3 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 344, 349,
 &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
#
# 49 ARG QB 50 TYR QE 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 781, 782,
 igr2= 811, 816,
 &end
#
# 3 TYR QE 43 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  42,  47,
 &end
#
# 3 TYR QE 31 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=  42,  47,
 igr2= 473, 474,
 &end
#
# 49 ARG QD 50 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= 787, 788,
 igr2= 811, 816,
 &end
#
# 20 ASN QD2 84 GLU HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 296, 297,
 &end
#
# 3 TYR QE 31 ARG QB 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  42,  47,
 igr2= 467, 468,
 &end
#
# 3 TYR QE 43 VAL QQG 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  42,  47,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 34 PHE QD 37 TYR QE 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 535, 543,
 igr2= 594, 599,
 &end
#
# 37 TYR QE 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 599,
 &end
#
# 37 TYR QE 75 MET HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 594, 599,
 &end
#
# 34 PHE HA 37 TYR QE 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 594, 599,
 &end
#
# 37 TYR HA 37 TYR QE 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 594, 599,
 &end
#
# 37 TYR QE 70 ASP HB3 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 594, 599,
 &end
#
# 37 TYR QE 71 ALA HA 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 594, 599,
 &end
#
# 33 VAL HB 37 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 594, 599,
 &end
#
# 37 TYR QE 75 MET QG 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 594, 599,
 igr2=1205,1206,
 &end
#
# 37 TYR QE 75 MET QG 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 594, 599,
 igr2=1205,1206,
 &end
#
# 37 TYR QE 75 MET QE 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 594, 599,
 igr2=1209,1210,1211,
 &end
#
# 37 TYR QE 74 ALA QB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 594, 599,
 igr2=1192,1193,1194,
 &end
#
# 44 TYR HA 44 TYR QE 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 697, 702,
 &end
#
# 57 PHE QD 58 ALA HA 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 923, 931,
 &end
#
# 19 ASP HA 57 PHE QD 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 923, 931,
 &end
#
# 45 ILE HA 57 PHE QD 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 923, 931,
 &end
#
# 56 GLY QA 57 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= 910, 911,
 igr2= 923, 931,
 &end
#
# 57 PHE QD 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= 923, 931,
 igr2= 939, 940, 941,
 &end
#
# 19 ASP HA 57 PHE HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 917, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 21 LEU HG 57 PHE HA 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 917, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 21 LEU QQD 57 PHE HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 57 PHE HA 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 16 LEU QB 61 ARG HA 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 222, 223,
 &end
#
# 19 ASP HA 57 PHE QB 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 919, 920,
 &end
#
# 18 VAL HB 19 ASP HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 277, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 15 SER HA 16 LEU QB 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 222, 223,
 &end
#
# 15 SER HA 61 ARG QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 985, 986,
 &end
#
# 19 ASP HA 21 LEU HG 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 308, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 19 ASP HA 58 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 939, 940, 941,
 &end
#
# 19 ASP HA 21 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= 310, 311, 312, 314, 315, 316,
 &end
#
# 76 ASP QB 86 ARG HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1219,1220,
 &end
#
# 76 ASP QB 86 ARG HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1219,1220,
 &end
#
# 85 LEU HB2 86 ARG HA 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1358, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 85 LEU QQD 86 ARG HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 44 TYR HA 44 TYR QD 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 695, 704,
 &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 38 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 607, 608,
 &end
#
# 35 GLU HA 35 GLU QG 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 554, 555,
 &end
#
# 18 VAL HB 87 VAL HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,1382, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 34 PHE QE 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= 537, 541,
 &end
#
# 60 VAL QQG 62 PHE HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 39 ARG QG 62 PHE HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 619, 620,
 &end
#
# 41 GLY QA 62 PHE HA 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 654, 655,
 &end
#
# 25 THR QG2 26 SER HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 385, 386, 387,
 &end
#
# 21 LEU QQD 26 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 26 SER HA 30 LEU QQD 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 45 ILE HA 58 ALA HA 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 937, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 46 PRO QD 58 ALA HA 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 728, 729,
 &end
#
# 57 PHE QE 58 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
# 75 MET HA 75 MET QG 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1205,1206,
 &end
#
# 3 TYR HA 3 TYR QE 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=  42,  47,
 &end
#
# 43 VAL HA 43 VAL QQG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 40 VAL QQG 42 ASP HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 43 VAL HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 43 VAL HA 60 VAL HA 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 967, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 41 GLY QA 42 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 654, 655,
 &end
#
# 47 ARG HA 57 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 ALA QB 79 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1238,1239,1240,
 &end
#
# 85 LEU HA 85 LEU QQD 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU HB3 85 LEU HA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1339, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 80 LEU HA 80 LEU HG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1267, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 34 PHE HA 37 TYR HB2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 588, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 34 PHE HA 62 PHE HZ 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,1017, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 34 PHE HA 62 PHE QE 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1015,1019,
 &end
#
# 34 PHE HA 34 PHE QE 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 537, 541,
 &end
#
# 76 ASP HA 86 ARG HA 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1358, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 76 ASP HA 87 VAL QQG 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 51 THR HB 53 GLU QG 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 865, 866,
 &end
#
# 75 MET QB 76 ASP HA 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1202,1203,
 &end
#
# 39 ARG HA 39 ARG QG 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 619, 620,
 &end
#
# 21 LEU HA 21 LEU QQD 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 22 THR HA 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 63 HIS HA 64 ASP HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1044, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 39 ARG HA 39 ARG QG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 619, 620,
 &end
#
# 98 SER HA 100 HIS HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 THR HB 33 VAL HB 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 515, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 25 THR QG2 29 THR HB 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 385, 386, 387,
 &end
#
# 36 LYS QG 37 TYR HA 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 569, 570,
 &end
#
# 37 TYR HA 37 TYR QD 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 592, 601,
 &end
#
# 44 TYR QE 45 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 702,
 &end
#
# 43 VAL QQG 60 VAL HA 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 94 ARG HA 94 ARG QG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1499,1500,
 &end
#
# 24 ARG HA 24 ARG QG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 362, 363,
 &end
#
# 91 ARG HA 91 ARG QG 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1447,1448,
 &end
#
# 37 TYR QD 67 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 601,
 &end
#
# 62 PHE QD 67 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1013,1021,
 &end
#
# 37 TYR QE 74 ALA HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 594, 599,
 &end
#
# 66 ARG HA 69 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1129,1130,
 &end
#
# 32 ARG HA 35 GLU QB 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 551, 552,
 &end
#
# 66 ARG HA 69 GLU QG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1129,1130,
 &end
#
# 32 ARG HA 32 ARG QB 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 491, 492,
 &end
#
# 66 ARG HA 66 ARG QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2=1080,1081,
 &end
#
# 31 ARG QG 32 ARG HA 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 470, 471,
 &end
#
# 25 THR HA 29 THR QG2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 436, 437, 438,
 &end
#
# 30 LEU HA 60 VAL QQG 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 24 ARG HB2 25 THR HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 381, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 30 LEU HA 30 LEU HG 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 30 LEU HA 33 VAL QQG 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 21 LEU QB 25 THR HB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 305, 306,
 &end
#
# 22 THR QG2 25 THR HB 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 326, 327, 328,
 &end
#
# 21 LEU QB 25 THR HB 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 305, 306,
 &end
#
# 21 LEU QQD 25 THR HB 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 27 PRO HA 45 ILE QD1 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 721, 722, 723,
 &end
#
# 3 TYR QD 4 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=  40,  49,
 igr2=  55,  56,
 &end
#
# 15 SER QB 59 PHE QE 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= 955, 959,
 &end
#
# 15 SER QB 16 LEU HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 211, 212,
 &end
#
# 45 ILE QG2 54 SER QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 714, 715, 716,
 igr2= 877, 878,
 &end
#
# 54 SER QB 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= 877, 878,
 &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
#
# 28 ASP QB 29 THR HA 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 422, 423,
 &end
#
# 32 ARG QG 33 VAL HA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 494, 495,
 &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 HA 37 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 601,
 &end
#
# 33 VAL HA 37 TYR QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 594, 599,
 &end
#
# 65 LYS HA 69 GLU QG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1129,1130,
 &end
#
# 49 ARG HA 50 TYR QD 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 809, 818,
 &end
#
# 65 LYS HA 65 LYS QG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1061,1062,
 &end
#
# 49 ARG HA 49 ARG QD 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 787, 788,
 &end
#
# 54 SER QB 57 PHE QE 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 877, 878,
 igr2= 925, 929,
 &end
#
# 77 GLY HA2 78 ALA QB 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1238,1239,1240,
 &end
#
# 62 PHE HB3 64 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 MET HA 87 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 THR QG2 15 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 199, 200, 201,
 igr2= 211, 212,
 &end
#
# 39 ARG QG 41 GLY QA 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 619, 620,
 igr2= 654, 655,
 &end
#
# 63 HIS QB 64 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1029,1030,
 &end
#
# 86 ARG QD 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=1366,1367,
 &end
#
# 46 PRO QD 59 PHE QD 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 728, 729,
 igr2= 953, 961,
 &end
#
# 24 ARG HA 24 ARG QD 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 365, 366,
 &end
#
# 33 VAL QQG 34 PHE HB2 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 83 ARG QD 85 LEU QQD 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1308,1309,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 55 ARG QB 55 ARG QD 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 888, 889,
 igr2= 894, 895,
 &end
#
# 52 LYS QG 52 LYS QE 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 843, 844,
 igr2= 849, 850,
 &end
#
# 37 TYR QD 70 ASP HB3 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 592, 601,
 &end
#
# 36 LYS QE 37 TYR QD 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 575, 576,
 igr2= 592, 601,
 &end
#
# 42 ASP QB 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= 663, 664,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 15 SER HA 61 ARG QD 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 991, 992,
 &end
#
# 21 LEU QQD 57 PHE QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 919, 920,
 &end
#
# 19 ASP QB 57 PHE QD 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 279, 280,
 igr2= 923, 931,
 &end
#
# 57 PHE QD 59 PHE QB 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 923, 931,
 igr2= 949, 950,
 &end
#
# 73 ASP HB2 74 ALA QB 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1192,1193,1194,
 &end
#
# 16 LEU QQD 89 MET QG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1420,1421,
 &end
#
# 32 ARG HA 35 GLU QG 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 554, 555,
 &end
#
# 19 ASP QB 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 48 ASP QB 51 THR QG2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 769, 770,
 igr2= 828, 829, 830,
 &end
#
# 69 GLU HA 69 GLU QG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1129,1130,
 &end
#
# 88 GLN QB 88 GLN QG 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr1=1400,1401,
 igr2=1403,1404,
 &end
#
# 46 PRO QB 47 ARG QB 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= 745, 746,
 &end
#
# 44 TYR QE 46 PRO QB 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 697, 702,
 igr2= 734, 735,
 &end
#
# 32 ARG HA 35 GLU QB 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 551, 552,
 &end
#
# 16 LEU QQD 72 MET HG2 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 69 GLU QB 69 GLU QG 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
 igr1=1126,1127,
 igr2=1129,1130,
 &end
#
# 69 GLU HA 72 MET QE 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
 igr2=1170,1171,1172,
 &end
#
# 34 PHE QE 75 MET QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 537, 541,
 igr2=1202,1203,
 &end
#
# 34 PHE HZ 75 MET QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1202,1203,
 &end
#
# 84 GLU HB2 84 GLU HG3 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 43 VAL HB 60 VAL QQG 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL HB 60 VAL QQG 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 72 MET HA 75 MET QG 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1205,1206,
 &end
#
# 32 ARG HA 32 ARG QG 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 494, 495,
 &end
#
# 86 ARG HB3 86 ARG QD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1366,1367,
 &end
#
# 86 ARG HB3 88 GLN QE2 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1408,1409,
 &end
#
# 34 PHE QE 75 MET QG 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 537, 541,
 igr2=1205,1206,
 &end
#
# 37 TYR QD 75 MET QG 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 592, 601,
 igr2=1205,1206,
 &end
#
# 86 ARG QG 86 ARG QD 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=1363,1364,
 igr2=1366,1367,
 &end
#
# 24 ARG HB2 24 ARG QD 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 365, 366,
 &end
#
# 39 ARG QB 39 ARG QG 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1= 616, 617,
 igr2= 619, 620,
 &end
#
# 75 MET QB 75 MET QG 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1202,1203,
 igr2=1205,1206,
 &end
#
# 45 ILE HB 45 ILE QD1 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 721, 722, 723,
 &end
#
# 86 ARG QG 88 GLN QE2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1363,1364,
 igr2=1408,1409,
 &end
#
# 30 LEU HG 60 VAL QQG 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 52 LYS QG 52 LYS QD 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr1= 843, 844,
 igr2= 846, 847,
 &end
#
# 47 ARG QG 52 LYS HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 748, 749,
 &end
#
# 75 MET HA 75 MET QE 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1209,1210,1211,
 &end
#
# 36 LYS QG 36 LYS QD 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 569, 570,
 igr2= 572, 573,
 &end
#
# 36 LYS QG 36 LYS QD 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 569, 570,
 igr2= 572, 573,
 &end
#
# 21 LEU HG 25 THR HB 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 383, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 78 ALA QB 85 LEU QQD 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1238,1239,1240,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 31 ARG HA 31 ARG QG 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 470, 471,
 &end
#
# 80 LEU HG 81 ASP QB 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1283,1284,
 &end
#
# 81 ASP QB 83 ARG HG2 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1283,1284,
 &end
#
# 65 LYS HA 65 LYS QG 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1061,1062,
 &end
#
# 22 THR QG2 81 ASP QB 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 326, 327, 328,
 igr2=1283,1284,
 &end
#
# 21 LEU QB 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 305, 306,
 &end
#
# 21 LEU QB 21 LEU QQD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 305, 306,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 37 TYR QE 71 ALA QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 594, 599,
 igr2=1153,1154,1155,
 &end
#
# 16 LEU HA 68 ALA QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1116,1117,1118,
 &end
#
# 61 ARG QG 62 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 988, 989,
 &end
#
# 62 PHE HA 68 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1116,1117,1118,
 &end
#
# 62 PHE HB3 68 ALA QB 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1116,1117,1118,
 &end
#
# 26 SER QB 29 THR QG2 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 397, 398,
 igr2= 436, 437, 438,
 &end
#
# 24 ARG HA 24 ARG QG 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 362, 363,
 &end
#
# 44 TYR HA 45 ILE QG1 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 718, 719,
 &end
#
# 21 LEU QB 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 305, 306,
 &end
#
# 45 ILE QG1 57 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 718, 719,
 &end
#
# 45 ILE QG1 58 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= 718, 719,
 igr2= 939, 940, 941,
 &end
#
# 14 THR HA 14 THR QG2 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 199, 200, 201,
 &end
#
# 14 THR QG2 65 LYS HA 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 62 PHE HB3 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 199, 200, 201,
 &end
#
# 16 LEU QB 62 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 223,
 &end
#
# 14 THR QG2 65 LYS QB 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 199, 200, 201,
 igr2=1058,1059,
 &end
#
# 16 LEU QB 62 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= 222, 223,
 igr2=1013,1021,
 &end
#
# 21 LEU QQD 25 THR QG2 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 385, 386, 387,
 &end
#
# 34 PHE HA 36 LYS QG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 569, 570,
 &end
#
# 25 THR QG2 34 PHE QE 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 385, 386, 387,
 igr2= 537, 541,
 &end
#
# 33 VAL QQG 34 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 537, 541,
 &end
#
# 37 TYR QD 74 ALA QB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 592, 601,
 igr2=1192,1193,1194,
 &end
#
# 34 PHE QE 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= 537, 541,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE HZ 87 VAL QQG 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 87 VAL HA 87 VAL QQG 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 74 ALA QB 75 MET HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1192,1193,1194,
 &end
#
# 76 ASP QB 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=1219,1220,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 36 LYS QG 37 TYR QE 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 569, 570,
 igr2= 594, 599,
 &end
#
# 36 LYS HA 36 LYS QG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 569, 570,
 &end
#
# 34 PHE HA 36 LYS QG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 569, 570,
 &end
#
# 16 LEU QQD 62 PHE QD 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1013,1021,
 &end
#
# 16 LEU HA 16 LEU QQD 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 88 GLN HA 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 69 GLU HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET QB 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=1163,1164,
 &end
#
# 27 PRO HA 43 VAL QQG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 79 VAL QQG 82 GLY QA 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1293,1294,
 &end
#
# 30 LEU QQD 33 VAL QQG 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL QQG 34 PHE HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 80 LEU QB 80 LEU QQD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 33 VAL QQG 37 TYR QD 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 592, 601,
 &end
#
# 43 VAL QQG 44 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 34 PHE HZ 85 LEU QQD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=1346,1347,1348,1350,1351,1352,
 &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
#
# 75 MET HA 85 LEU QQD 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB2 85 LEU QQD 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU QB 85 LEU QQD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1264,1265,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB3 85 LEU QQD 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU QB 85 LEU QQD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1264,1265,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU QQD 25 THR QG2 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 385, 386, 387,
 &end
#
# 21 LEU QB 21 LEU QQD 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 305, 306,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 79 VAL QQG 80 LEU HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 83 ARG HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 45 ILE QG2 58 ALA HA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 714, 715, 716,
 &end
#
# 30 LEU QQD 34 PHE QD 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 535, 543,
 &end
#
# 30 LEU QQD 34 PHE QE 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 537, 541,
 &end
#
# 27 PRO QD 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= 405, 406,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 27 PRO QD 45 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 405, 406,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE QG2 45 ILE QG1 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 714, 715, 716,
 igr2= 718, 719,
 &end
#
# 25 THR QG2 30 LEU QQD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 385, 386, 387,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 45 ILE QD1 46 PRO QD 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 721, 722, 723,
 igr2= 728, 729,
 &end
#
# 34 PHE QD 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= 535, 543,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 62 PHE QD 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1013,1021,
 &end
#
# 40 VAL QQG 62 PHE QE 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1015,1019,
 &end
#
# 35 GLU QB 40 VAL QQG 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 551, 552,
 igr2= 642, 643, 644, 646, 647, 648,
 &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
#
# 30 LEU HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB2 60 VAL QQG 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL HB 60 VAL QQG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL QG1 60 VAL QQG 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 265, 266, 267,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL QG2 60 VAL QQG 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL QQG 60 VAL QQG 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 18 VAL HB 60 VAL QQG 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU HB2 60 VAL QQG 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 22 THR HB 23 TYR QD 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 342, 351,
 &end
#
# 22 THR HB 83 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1302,1303,
 &end
#
# 51 THR HB 52 LYS H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 51 THR HB 53 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 THR HB 53 GLU QG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 865, 866,
 &end
#
# 51 THR HB 53 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 862, 863,
 &end
#
# 29 THR H 29 THR HB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 25 THR HB 26 SER H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 393, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 29 THR HA 32 ARG QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 491, 492,
 &end
#
# 29 THR HA 32 ARG QD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 497, 498,
 &end
#
# 33 VAL HA 36 LYS H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 562, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 26 SER QB 27 PRO QG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 397, 398,
 igr2= 408, 409,
 &end
#
# 25 THR HA 26 SER H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 25 THR HA 25 THR QG2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 385, 386, 387,
 &end
#
# 15 SER QB 90 ALA H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 211, 212,
 &end
#
# 15 SER QB 90 ALA QB 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 211, 212,
 igr2=1434,1435,1436,
 &end
#
# 48 ASP H 54 SER QB 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 877, 878,
 &end
#
# 54 SER QB 55 ARG H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 877, 878,
 &end
#
# 47 ARG HA 54 SER QB 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 877, 878,
 &end
#
# 47 ARG HA 54 SER QB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 877, 878,
 &end
#
# 53 GLU 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= 862, 863,
 igr2= 877, 878,
 &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
#
# 8 PRO HA 9 ASP QB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 130, 131,
 &end
#
# 8 PRO HA 10 VAL H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 138, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 10 VAL HA 13 MET QE 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 187, 188, 189,
 &end
#
# 10 VAL HA 10 VAL QQG 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 10 VAL HA 13 MET QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 180, 181,
 &end
#
# 51 THR HA 51 THR HB 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 826, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 48 ASP QB 51 THR HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 769, 770,
 &end
#
# 50 TYR QB 51 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 805, 806,
 &end
#
# 51 THR HA 51 THR QG2 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR HA 51 THR HA 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 824, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 40 VAL HA 62 PHE QD 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1013,1021,
 &end
#
# 40 VAL HA 62 PHE HA 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,1007, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 40 VAL HA 41 GLY QA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 654, 655,
 &end
#
# 40 VAL HA 40 VAL QQG 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 39 ARG HA 40 VAL HA 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 87 VAL HA 87 VAL QQG 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 60 VAL HA 60 VAL QQG 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL QQG 60 VAL HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 22 THR HA 23 TYR QD 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 342, 351,
 &end
#
# 22 THR HA 22 THR QG2 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 326, 327, 328,
 &end
#
# 22 THR HA 24 ARG H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 355, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 69 GLU HA 73 ASP H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1176, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 65 LYS HA 65 LYS QE 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1067,1068,
 &end
#
# 72 MET HA 73 ASP HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 68 ALA QB 69 GLU HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1116,1117,1118,
 &end
#
# 71 ALA QB 72 MET HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1153,1154,1155,
 &end
#
# 72 MET HA 87 VAL QQG 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 14 THR QG2 15 SER HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 199, 200, 201,
 &end
#
# 15 SER HA 61 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 988, 989,
 &end
#
# 23 TYR HA 23 TYR QD 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 342, 351,
 &end
#
# 32 ARG HA 35 GLU HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 549, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 32 ARG HA 32 ARG QD 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 497, 498,
 &end
#
# 32 ARG HA 35 GLU QG 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 554, 555,
 &end
#
# 11 GLU HA 11 GLU QB 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2= 158, 159,
 &end
#
# 2 SER HA 2 SER QB 2.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
 igr2=  25,  26,
 &end
#
# 98 SER HA 98 SER QB 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2=1560,1561,
 &end
#
# 54 SER H 55 ARG HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 886, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 47 ARG H 55 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 ARG QG 55 ARG HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 748, 749,
 &end
#
# 45 ILE QG2 55 ARG HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 714, 715, 716,
 &end
#
# 35 GLU HA 40 VAL HB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 640, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 31 ARG HA 35 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU HA 40 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU H 36 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS HA 36 LYS QE 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 575, 576,
 &end
#
# 36 LYS HA 36 LYS HB2 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 35 GLU HA 36 LYS HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 34 PHE HB3 35 GLU HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 35 GLU HA 40 VAL QQG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 70 ASP HA 73 ASP H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1176, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 70 ASP HA 71 ALA QB 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1153,1154,1155,
 &end
#
# 48 ASP QB 52 LYS HA 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 769, 770,
 &end
#
# 66 ARG H 67 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 ASP HA 70 ASP H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1137, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 59 PHE HA 59 PHE QD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 953, 961,
 &end
#
# 17 LYS HA 59 PHE HA 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 947, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 58 ALA QB 59 PHE HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 939, 940, 941,
 &end
#
# 79 VAL HA 84 GLU HA 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1324, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 84 GLU HA 84 GLU HG2 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1329, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 43 VAL QQG 44 TYR HA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 44 TYR HA 45 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 714, 715, 716,
 &end
#
# 26 SER HA 27 PRO QD 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 405, 406,
 &end
#
# 26 SER HA 27 PRO QD 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 405, 406,
 &end
#
# 26 SER HA 27 PRO QG 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 408, 409,
 &end
#
# 83 ARG HA 84 GLU HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1324, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 83 ARG HA 83 ARG HG2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1305, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 62 PHE QD 68 ALA HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1013,1021,
 &end
#
# 62 PHE QE 68 ALA HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1015,1019,
 &end
#
# 68 ALA HA 72 MET QB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1163,1164,
 &end
#
# 62 PHE HB3 68 ALA HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1114, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 68 ALA HA 69 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ALA HA 73 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ALA HA 75 MET QB 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1202,1203,
 &end
#
# 71 ALA HA 74 ALA QB 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1192,1193,1194,
 &end
#
# 57 PHE HA 58 ALA QB 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 939, 940, 941,
 &end
#
# 20 ASN HB2 86 ARG HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1358, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 86 ARG HA 86 ARG QG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1363,1364,
 &end
#
# 86 ARG HA 87 VAL QQG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 82 GLY QA 83 ARG HA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1293,1294,
 &end
#
# 73 ASP HB3 74 ALA HA 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1190, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 74 ALA HA 75 MET QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
# 68 ALA HA 71 ALA QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1153,1154,1155,
 &end
#
# 16 LEU QQD 68 ALA HA 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 37 TYR HA 71 ALA HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,1151, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 70 ASP HA 71 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL HA 19 ASP HA 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 277, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 19 ASP HA 86 ARG HB2 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,1360, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 88 GLN HA 89 MET H 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1413, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 88 GLN HA 89 MET HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1415, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 88 GLN HA 88 GLN QB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1400,1401,
 &end
#
# 19 ASP HA 21 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= 310, 311, 312, 314, 315, 316,
 &end
#
# 19 ASP HA 20 ASN HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &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 HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1056, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 64 ASP HA 65 LYS QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1058,1059,
 &end
#
# 14 THR QG2 64 ASP HA 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 199, 200, 201,
 &end
#
# 87 VAL QQG 88 GLN HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET HA 78 ALA QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1238,1239,1240,
 &end
#
# 64 ASP HA 66 ARG H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1076, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 78 ALA HA 79 VAL HA 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1246, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 27 PRO QD 45 ILE QD1 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 405, 406,
 igr2= 721, 722, 723,
 &end
#
# 26 SER QB 27 PRO QD 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 397, 398,
 igr2= 405, 406,
 &end
#
# 27 PRO QD 28 ASP H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 405, 406,
 &end
#
# 94 ARG HA 95 PRO QD 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1517,1518,
 &end
#
# 94 ARG HA 95 PRO QD 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1517,1518,
 &end
#
# 94 ARG QB 95 PRO QD 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1496,1497,
 igr2=1517,1518,
 &end
#
# 5 ARG QB 6 PRO QD 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  64,  65,
 igr2=  85,  86,
 &end
#
# 5 ARG HA 6 PRO QD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=  85,  86,
 &end
#
# 21 LEU QQD 58 ALA HA 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 58 ALA HA 59 PHE QB 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 949, 950,
 &end
#
# 77 GLY HA2 84 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 GLY QA 63 HIS HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 654, 655,
 &end
#
# 77 GLY HA3 78 ALA QB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1238,1239,1240,
 &end
#
# 79 VAL HB 82 GLY QA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1293,1294,
 &end
#
# 4 GLY QA 5 ARG QB 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=  55,  56,
 igr2=  64,  65,
 &end
#
# 4 GLY QA 5 ARG H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1=  55,  56,
 &end
#
# 79 VAL QQG 82 GLY QA 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1293,1294,
 &end
#
# 79 VAL QQG 82 GLY QA 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1293,1294,
 &end
#
# 40 VAL QQG 41 GLY QA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 654, 655,
 &end
#
# 19 ASP QB 20 ASN HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 86 ARG HB2 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 279, 280,
 &end
#
# 18 VAL QG1 19 ASP QB 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 265, 266, 267,
 igr2= 279, 280,
 &end
#
# 19 ASP QB 86 ARG HB3 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 279, 280,
 &end
#
# 18 VAL QG1 19 ASP QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 265, 266, 267,
 igr2= 279, 280,
 &end
#
# 80 LEU QB 85 LEU QQD 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1264,1265,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 93 GLY QA 94 ARG QB 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1487,1488,
 igr2=1496,1497,
 &end
#
# 19 ASP QB 86 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 86 ARG HB2 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 279, 280,
 &end
#
# 19 ASP QB 20 ASN H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 279, 280,
 &end
#
# 92 TYR HA 93 GLY QA 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1487,1488,
 &end
#
# 42 ASP QB 43 VAL QQG 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 663, 664,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 64 ASP H 64 ASP QB 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1046,1047,
 &end
#
# 16 LEU QB 16 LEU QQD 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 222, 223,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QB 60 VAL QQG 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr1= 222, 223,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 31 ARG HA 31 ARG QD 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 473, 474,
 &end
#
# 31 ARG QD 40 VAL H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 473, 474,
 &end
#
# 3 TYR QD 31 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=  40,  49,
 igr2= 473, 474,
 &end
#
# 5 ARG QB 5 ARG QD 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=  64,  65,
 igr2=  70,  71,
 &end
#
# 47 ARG QD 48 ASP H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 751, 752,
 &end
#
# 47 ARG QD 52 LYS 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= 840, 841,
 &end
#
# 47 ARG QD 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= 751, 752,
 igr2= 891, 892,
 &end
#
# 47 ARG QG 47 ARG QD 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 748, 749,
 igr2= 751, 752,
 &end
#
# 47 ARG QB 47 ARG QD 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 745, 746,
 igr2= 751, 752,
 &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
#
# 64 ASP QB 68 ALA H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1046,1047,
 &end
#
# 78 ALA QB 85 LEU HB2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1238,1239,1240,
 &end
#
# 85 LEU HB2 85 LEU QQD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 78 ALA HA 85 LEU HB2 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1341, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 84 GLU HA 85 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 LEU QB 62 PHE H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 222, 223,
 &end
#
# 21 LEU QB 22 THR H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 305, 306,
 &end
#
# 21 LEU QB 83 ARG QD 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 305, 306,
 igr2=1308,1309,
 &end
#
# 21 LEU QB 21 LEU QQD 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 305, 306,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QB 26 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 305, 306,
 &end
#
# 76 ASP HA 86 ARG QD 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1366,1367,
 &end
#
# 31 ARG HA 31 ARG QD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 473, 474,
 &end
#
# 31 ARG QB 31 ARG QD 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 467, 468,
 igr2= 473, 474,
 &end
#
# 31 ARG QD 43 VAL QQG 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 473, 474,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG QD 40 VAL QQG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 473, 474,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 86 ARG QD 87 VAL H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1366,1367,
 &end
#
# 77 GLY H 86 ARG QD 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1366,1367,
 &end
#
# 86 ARG HA 86 ARG QD 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1366,1367,
 &end
#
# 86 ARG QG 86 ARG QD 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1363,1364,
 igr2=1366,1367,
 &end
#
# 86 ARG QD 87 VAL QQG 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=1366,1367,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 32 ARG QG 32 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= 494, 495,
 igr2= 497, 498,
 &end
#
# 31 ARG H 31 ARG QD 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 473, 474,
 &end
#
# 31 ARG QD 43 VAL QQG 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 473, 474,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG QD 40 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= 473, 474,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 47 ARG QD 52 LYS HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 751, 752,
 &end
#
# 47 ARG QD 54 SER QB 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 751, 752,
 igr2= 877, 878,
 &end
#
# 22 THR H 83 ARG QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1308,1309,
 &end
#
# 83 ARG QB 83 ARG QD 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1302,1303,
 igr2=1308,1309,
 &end
#
# 21 LEU QQD 83 ARG QD 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2=1308,1309,
 &end
#
# 83 ARG QD 85 LEU QQD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
 igr1=1308,1309,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU H 83 ARG QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1308,1309,
 &end
#
# 21 LEU HA 83 ARG QD 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1308,1309,
 &end
#
# 22 THR HA 83 ARG QD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1308,1309,
 &end
#
# 52 LYS HA 52 LYS QE 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 849, 850,
 &end
#
# 27 PRO HA 30 LEU HB2 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 448, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 30 LEU HB2 43 VAL QQG 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU HB2 30 LEU QQD 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU HB3 33 VAL QQG 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 30 LEU HB3 30 LEU QQD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU HB3 60 VAL QQG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 65 LYS H 65 LYS QE 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1067,1068,
 &end
#
# 65 LYS QB 65 LYS QE 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1058,1059,
 igr2=1067,1068,
 &end
#
# 65 LYS QD 65 LYS QE 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr1=1064,1065,
 igr2=1067,1068,
 &end
#
# 65 LYS QG 65 LYS QE 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1061,1062,
 igr2=1067,1068,
 &end
#
# 36 LYS H 36 LYS QE 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 575, 576,
 &end
#
# 36 LYS QE 37 TYR QE 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 575, 576,
 igr2= 594, 599,
 &end
#
# 33 VAL HA 36 LYS QE 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 575, 576,
 &end
#
# 36 LYS QD 36 LYS QE 2.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr1= 572, 573,
 igr2= 575, 576,
 &end
#
# 36 LYS HB2 36 LYS QE 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 575, 576,
 &end
#
# 36 LYS QG 36 LYS QE 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 569, 570,
 igr2= 575, 576,
 &end
#
# 44 TYR QB 59 PHE QB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 691, 692,
 igr2= 949, 950,
 &end
#
# 76 ASP QB 87 VAL QQG 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1219,1220,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 70 ASP HA 73 ASP HB3 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1181, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 69 GLU HA 73 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 GLU QB 73 ASP HB3 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1126,1127,
 &end
#
# 73 ASP HB3 74 ALA QB 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1192,1193,1194,
 &end
#
# 73 ASP HB2 74 ALA H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1188, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 73 ASP HA 73 ASP HB2 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1180, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 28 ASP QB 29 THR QG2 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 422, 423,
 igr2= 436, 437, 438,
 &end
#
# 69 GLU QB 73 ASP HB2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1126,1127,
 &end
#
# 17 LYS QE 59 PHE QE 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 250, 251,
 igr2= 955, 959,
 &end
#
# 69 GLU QB 70 ASP HB2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1126,1127,
 &end
#
# 22 THR QG2 81 ASP QB 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 326, 327, 328,
 igr2=1283,1284,
 &end
#
# 80 LEU QQD 81 ASP QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 70 ASP HB2 71 ALA QB 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1153,1154,1155,
 &end
#
# 8 PRO QB 9 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= 119, 120,
 igr2= 130, 131,
 &end
#
# 9 ASP QB 13 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 130, 131,
 igr2= 187, 188, 189,
 &end
#
# 9 ASP QB 10 VAL QQG 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1= 130, 131,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 36 LYS QG 37 TYR HB2 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 569, 570,
 &end
#
# 34 PHE HB3 71 ALA QB 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE HB3 60 VAL QQG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB3 40 VAL QQG 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 37 TYR HB3 71 ALA QB 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1153,1154,1155,
 &end
#
# 50 TYR QB 51 THR H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 805, 806,
 &end
#
# 50 TYR H 50 TYR QB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 805, 806,
 &end
#
# 50 TYR QB 51 THR QG2 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 805, 806,
 igr2= 828, 829, 830,
 &end
#
# 44 TYR HA 45 ILE HB 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 712, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 44 TYR QD 45 ILE HB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 695, 704,
 &end
#
# 45 ILE HB 46 PRO QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 728, 729,
 &end
#
# 45 ILE HB 47 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
# 20 ASN HB3 86 ARG H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1356, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 20 ASN HB3 83 ARG QD 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1308,1309,
 &end
#
# 20 ASN HB2 86 ARG H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1356, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 20 ASN HB2 84 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN HB2 84 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN HB2 86 ARG QG 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1363,1364,
 &end
#
# 19 ASP HA 20 ASN HB2 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 291, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 22 THR QG2 23 TYR QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 326, 327, 328,
 igr2= 338, 339,
 &end
#
# 23 TYR QB 24 ARG H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 338, 339,
 &end
#
# 35 GLU QG 36 LYS H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 554, 555,
 &end
#
# 35 GLU QG 40 VAL QQG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 554, 555,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU HA 35 GLU QG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 554, 555,
 &end
#
# 35 GLU QG 40 VAL QQG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 554, 555,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 69 GLU HA 69 GLU QG 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1129,1130,
 &end
#
# 65 LYS QE 69 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=1067,1068,
 igr2=1129,1130,
 &end
#
# 11 GLU H 11 GLU QG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 161, 162,
 &end
#
# 11 GLU HA 11 GLU QG 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 161, 162,
 &end
#
# 11 GLU QB 11 GLU QG 2.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr1= 158, 159,
 igr2= 161, 162,
 &end
#
# 84 GLU HG3 85 LEU H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1337, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 84 GLU HA 84 GLU HG3 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1330, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 79 VAL QQG 84 GLU HG3 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 84 GLU H 84 GLU HG3 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1330, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 66 ARG H 69 GLU QG 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1129,1130,
 &end
#
# 84 GLU H 84 GLU HG2 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1329, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 79 VAL QQG 84 GLU HG2 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 84 GLU HG2 85 LEU H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1337, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 53 GLU HA 53 GLU QG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 865, 866,
 &end
#
# 51 THR QG2 53 GLU QG 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 828, 829, 830,
 igr2= 865, 866,
 &end
#
# 53 GLU QB 53 GLU QG 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 862, 863,
 igr2= 865, 866,
 &end
#
# 51 THR QG2 53 GLU QG 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829, 830,
 igr2= 865, 866,
 &end
#
# 76 ASP QB 87 VAL HB 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1384, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1219,1220,
 &end
#
# 88 GLN HA 88 GLN QG 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1403,1404,
 &end
#
# 87 VAL QQG 88 GLN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1386,1387,1388,1390,1391,1392,
 igr2=1400,1401,
 &end
#
# 18 VAL H 18 VAL HB 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 18 VAL HB 60 VAL HB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 969, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 30 LEU HB2 60 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 PHE QD 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= 535, 543,
 &end
#
# 16 LEU QQD 72 MET QB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1163,1164,
 &end
#
# 65 LYS QB 66 ARG H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1058,1059,
 &end
#
# 47 ARG QB 54 SER H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 745, 746,
 &end
#
# 88 GLN HA 89 MET QG 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1420,1421,
 &end
#
# 89 MET QB 89 MET QG 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1417,1418,
 igr2=1420,1421,
 &end
#
# 71 ALA H 72 MET QB 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1163,1164,
 &end
#
# 86 ARG H 86 ARG HB2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1360, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 89 MET QG 89 MET QE 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1420,1421,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU QB 89 MET QG 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 222, 223,
 igr2=1420,1421,
 &end
#
# 16 LEU QQD 89 MET QG 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1420,1421,
 &end
#
# 89 MET HA 89 MET QG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1420,1421,
 &end
#
# 33 VAL HB 34 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 537, 541,
 &end
#
# 33 VAL HB 34 PHE H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 527, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 30 LEU HA 33 VAL HB 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 515, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 86 ARG HB3 88 GLN QE2 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1408,1409,
 &end
#
# 20 ASN HB2 86 ARG HB3 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1361, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 36 LYS HB3 37 TYR QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 594, 599,
 &end
#
# 36 LYS HB3 36 LYS QE 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 575, 576,
 &end
#
# 8 PRO QB 9 ASP H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 119, 120,
 &end
#
# 9 ASP H 10 VAL HB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 142, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 91 ARG QB 92 TYR HA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1444,1445,
 &end
#
# 36 LYS HB2 37 TYR H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 36 LYS H 36 LYS HB2 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 566, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 36 LYS HB2 37 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 594, 599,
 &end
#
# 72 MET HG3 87 VAL QQG 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 69 GLU HA 72 MET HG3 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1167, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 72 MET HG3 73 ASP HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1178, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 72 MET HG2 88 GLN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 GLU HA 72 MET HG2 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1166, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 16 LEU QQD 72 MET HG2 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 72 MET HG2 87 VAL QQG 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 54 SER HA 55 ARG QB 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 888, 889,
 &end
#
# 47 ARG QD 55 ARG QB 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 751, 752,
 igr2= 888, 889,
 &end
#
# 47 ARG HE 55 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
# 94 ARG QB 94 ARG QD 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1496,1497,
 igr2=1502,1503,
 &end
#
# 31 ARG H 32 ARG QB 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 491, 492,
 &end
#
# 32 ARG H 32 ARG QB 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 491, 492,
 &end
#
# 32 ARG QB 32 ARG QD 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 491, 492,
 igr2= 497, 498,
 &end
#
# 62 PHE HA 63 HIS QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1029,1030,
 &end
#
# 100 HIS QB 101 SER H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1588,1589,
 &end
#
# 100 HIS QB 100 HIS HD2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1588,1589,
 &end
#
# 63 HIS QB 64 ASP H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1029,1030,
 &end
#
# 99 HIS QB 100 HIS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1571,1572,
 &end
#
# 99 HIS QB 100 HIS H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1571,1572,
 &end
#
# 23 TYR H 24 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 65 LYS QE 66 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1067,1068,
 igr2=1080,1081,
 &end
#
# 35 GLU QB 36 LYS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 551, 552,
 &end
#
# 35 GLU QB 40 VAL H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 551, 552,
 &end
#
# 31 ARG QD 35 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 473, 474,
 igr2= 551, 552,
 &end
#
# 52 LYS H 52 LYS QD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 846, 847,
 &end
#
# 33 VAL HA 36 LYS QD 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 572, 573,
 &end
#
# 36 LYS HA 36 LYS QD 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 572, 573,
 &end
#
# 36 LYS HB2 36 LYS QD 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 572, 573,
 &end
#
# 26 SER QB 27 PRO QG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 397, 398,
 igr2= 408, 409,
 &end
#
# 27 PRO QG 45 ILE QD1 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 408, 409,
 igr2= 721, 722, 723,
 &end
#
# 26 SER HA 27 PRO QG 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 408, 409,
 &end
#
# 27 PRO QG 45 ILE QD1 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 408, 409,
 igr2= 721, 722, 723,
 &end
#
# 36 LYS H 36 LYS QD 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 572, 573,
 &end
#
# 36 LYS QD 37 TYR QE 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 572, 573,
 igr2= 594, 599,
 &end
#
# 32 ARG QG 33 VAL H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 494, 495,
 &end
#
# 32 ARG HA 32 ARG QG 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 494, 495,
 &end
#
# 39 ARG QG 63 HIS HD2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 619, 620,
 &end
#
# 66 ARG HA 66 ARG QG 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1083,1084,
 &end
#
# 47 ARG QG 54 SER H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 748, 749,
 &end
#
# 47 ARG QG 54 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
# 45 ILE QG2 47 ARG QG 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 714, 715, 716,
 igr2= 748, 749,
 &end
#
# 21 LEU H 21 LEU QQD 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU HA 21 LEU QQD 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 56 GLY QA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 910, 911,
 &end
#
# 21 LEU QQD 57 PHE QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 919, 920,
 &end
#
# 21 LEU QQD 57 PHE QB 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 919, 920,
 &end
#
# 21 LEU QQD 58 ALA QB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 939, 940, 941,
 &end
#
# 39 ARG QG 63 HIS H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 619, 620,
 &end
#
# 39 ARG QG 41 GLY QA 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 619, 620,
 igr2= 654, 655,
 &end
#
# 66 ARG QG 68 ALA H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1083,1084,
 &end
#
# 82 GLY H 83 ARG HG3 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1306, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 66 ARG QG 66 ARG QD 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1=1083,1084,
 igr2=1086,1087,
 &end
#
# 83 ARG HG3 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 ARG QG 87 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1363,1364,
 &end
#
# 39 ARG QG 40 VAL H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 619, 620,
 &end
#
# 39 ARG H 39 ARG QG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 619, 620,
 &end
#
# 39 ARG QG 63 HIS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 619, 620,
 &end
#
# 86 ARG QG 88 GLN QE2 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1363,1364,
 igr2=1408,1409,
 &end
#
# 39 ARG QG 41 GLY QA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 619, 620,
 igr2= 654, 655,
 &end
#
# 39 ARG QG 39 ARG QD 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
# 85 LEU H 86 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1363,1364,
 &end
#
# 86 ARG QG 87 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1363,1364,
 &end
#
# 86 ARG HA 86 ARG QG 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1363,1364,
 &end
#
# 47 ARG HA 47 ARG QG 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 748, 749,
 &end
#
# 29 THR HB 30 LEU HG 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 47 ARG QG 53 GLU H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 748, 749,
 &end
#
# 82 GLY QA 83 ARG HG2 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1293,1294,
 &end
#
# 82 GLY H 83 ARG HG2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1305, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 16 LEU H 16 LEU QQD 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 34 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= 227, 228, 229, 231, 232, 233,
 igr2= 535, 543,
 &end
#
# 16 LEU QQD 34 PHE QE 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2= 537, 541,
 &end
#
# 16 LEU HA 16 LEU QQD 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 62 PHE HB3 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 71 ALA QB 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1153,1154,1155,
 &end
#
# 21 LEU QQD 25 THR HB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 57 PHE H 58 ALA QB 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 939, 940, 941,
 &end
#
# 45 ILE HA 58 ALA QB 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 939, 940, 941,
 &end
#
# 46 PRO QD 58 ALA QB 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 728, 729,
 igr2= 939, 940, 941,
 &end
#
# 58 ALA QB 59 PHE QB 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 939, 940, 941,
 igr2= 949, 950,
 &end
#
# 30 LEU HB2 58 ALA QB 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 939, 940, 941,
 &end
#
# 30 LEU QQD 58 ALA QB 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 939, 940, 941,
 &end
#
# 58 ALA QB 60 VAL QQG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 939, 940, 941,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 80 LEU H 80 LEU QQD 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 83 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 83 ARG QD 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1308,1309,
 &end
#
# 80 LEU QB 80 LEU QQD 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 24 ARG H 24 ARG QG 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 362, 363,
 &end
#
# 30 LEU QQD 31 ARG H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 29 THR H 30 LEU QQD 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 27 PRO HA 30 LEU QQD 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 43 VAL QQG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU QQD 60 VAL QQG 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 80 LEU HA 85 LEU QQD 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HA 85 LEU QQD 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 78 ALA QB 85 LEU QQD 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=1238,1239,1240,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 21 LEU QB 21 LEU QQD 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 305, 306,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 85 LEU HB3 85 LEU QQD 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 52 LYS H 52 LYS QG 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 843, 844,
 &end
#
# 52 LYS QG 52 LYS QE 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 843, 844,
 igr2= 849, 850,
 &end
#
# 52 LYS HA 52 LYS QG 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 843, 844,
 &end
#
# 52 LYS H 52 LYS QG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 843, 844,
 &end
#
# 52 LYS HA 52 LYS QG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 843, 844,
 &end
#
# 34 PHE QD 87 VAL QQG 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 535, 543,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 34 PHE QE 87 VAL QQG 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 537, 541,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET QB 87 VAL QQG 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1163,1164,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 60 VAL QQG 87 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 21 LEU QQD 58 ALA H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 23 TYR H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 56 GLY QA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 910, 911,
 &end
#
# 21 LEU QQD 57 PHE QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 919, 920,
 &end
#
# 64 ASP HA 65 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1061,1062,
 &end
#
# 65 LYS QG 66 ARG H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1061,1062,
 &end
#
# 65 LYS QG 69 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=1061,1062,
 igr2=1129,1130,
 &end
#
# 65 LYS QG 65 LYS QE 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1061,1062,
 igr2=1067,1068,
 &end
#
# 64 ASP HA 65 LYS QG 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1061,1062,
 &end
#
# 36 LYS QG 36 LYS QE 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 569, 570,
 igr2= 575, 576,
 &end
#
# 36 LYS H 36 LYS QG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 569, 570,
 &end
#
# 36 LYS HA 36 LYS QG 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 569, 570,
 &end
#
# 35 GLU H 36 LYS QG 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 569, 570,
 &end
#
# 80 LEU QQD 81 ASP QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 80 LEU H 80 LEU QQD 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU HA 80 LEU QQD 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP HA 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP QB 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1269,1270,1271,1273,1274,1275,
 igr2=1283,1284,
 &end
#
# 80 LEU QB 80 LEU QQD 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1264,1265,
 igr2=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 83 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 30 LEU QQD 31 ARG H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 34 PHE QD 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 535, 543,
 &end
#
# 30 LEU H 30 LEU QQD 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 34 PHE QE 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 537, 541,
 &end
#
# 29 THR HB 30 LEU QQD 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU HA 30 LEU QQD 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 33 VAL HB 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU HB2 30 LEU QQD 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU HB3 30 LEU QQD 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 25 THR QG2 30 LEU QQD 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 385, 386, 387,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU QQD 60 VAL QQG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 453, 454, 455, 457, 458, 459,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 16 LEU QB 16 LEU QQD 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 222, 223,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 18 VAL H 18 VAL QG1 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 265, 266, 267,
 &end
#
# 18 VAL QG1 34 PHE QD 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 265, 266, 267,
 igr2= 535, 543,
 &end
#
# 18 VAL QG1 86 ARG H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 265, 266, 267,
 &end
#
# 22 THR QG2 25 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 326, 327, 328,
 &end
#
# 22 THR QG2 83 ARG QD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 326, 327, 328,
 igr2=1308,1309,
 &end
#
# 76 ASP QB 87 VAL QQG 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1219,1220,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL QG1 60 VAL QQG 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 265, 266, 267,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 85 LEU H 85 LEU QQD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB3 85 LEU QQD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU HG 85 LEU QQD 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 83 ARG HG2 85 LEU QQD 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU QB 85 LEU QQD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1264,1265,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HB3 85 LEU QQD 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HA 85 LEU QQD 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN HB2 85 LEU QQD 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HB2 85 LEU QQD 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 35 GLU HA 40 VAL QQG 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG QD 40 VAL QQG 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 473, 474,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL H 40 VAL QQG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 31 ARG H 40 VAL QQG 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU H 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 41 GLY QA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 654, 655,
 &end
#
# 31 ARG HA 40 VAL QQG 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL HA 40 VAL QQG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 43 VAL QQG 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 29 THR QG2 30 LEU H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 436, 437, 438,
 &end
#
# 29 THR HA 29 THR QG2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 436, 437, 438,
 &end
#
# 14 THR QG2 15 SER H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 199, 200, 201,
 &end
#
# 14 THR QG2 65 LYS QE 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 199, 200, 201,
 igr2=1067,1068,
 &end
#
# 29 THR HB 33 VAL QQG 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL H 33 VAL QQG 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL HA 33 VAL QQG 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 32 ARG QD 33 VAL QQG 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 497, 498,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 32 ARG QB 33 VAL QQG 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 491, 492,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 32 ARG QG 33 VAL QQG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 494, 495,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 87 VAL H 87 VAL QQG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET HA 87 VAL QQG 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP QB 87 VAL QQG 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1219,1220,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 75 MET QB 87 VAL QQG 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1202,1203,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 72 MET HA 87 VAL QQG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1386,1387,1388,1390,1391,1392,
 &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 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 79 VAL HA 79 VAL QQG 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 31 ARG HA 43 VAL QQG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL QQG 44 TYR H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 40 VAL QQG 41 GLY H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 38 GLY H 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 42 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 62 PHE QE 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1015,1019,
 &end
#
# 39 ARG HA 40 VAL QQG 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 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
#
# 31 ARG QD 40 VAL QQG 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 473, 474,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 35 GLU QB 40 VAL QQG 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 551, 552,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL QQG 60 VAL QQG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 50 TYR H 51 THR QG2 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 828, 829, 830,
 &end
#
# 50 TYR QB 51 THR QG2 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 805, 806,
 igr2= 828, 829, 830,
 &end
#
# 33 VAL QQG 36 LYS QE 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 575, 576,
 &end
#
# 79 VAL QQG 85 LEU H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 80 LEU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL H 79 VAL QQG 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU HA 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 33 VAL QQG 34 PHE QD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 535, 543,
 &end
#
# 33 VAL QQG 34 PHE QE 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 537, 541,
 &end
#
# 33 VAL QQG 37 TYR QE 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2= 594, 599,
 &end
#
# 33 VAL HA 33 VAL QQG 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 31 ARG H 33 VAL QQG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 43 VAL H 43 VAL QQG 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 42 ASP HA 43 VAL QQG 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 43 VAL HA 43 VAL QQG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG HA 43 VAL QQG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 18 VAL QG2 59 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
# 34 PHE H 60 VAL QQG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 42 ASP H 60 VAL QQG 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 62 PHE QE 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 971, 972, 973, 975, 976, 977,
 igr2=1015,1019,
 &end
#
# 60 VAL HA 60 VAL QQG 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 31 ARG HA 60 VAL QQG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL HA 60 VAL QQG 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU HB2 60 VAL QQG 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL HA 60 VAL QQG 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 50 TYR QD 51 THR QG2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 809, 818,
 igr2= 828, 829, 830,
 &end
#
# 18 VAL H 18 VAL QG2 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 269, 270, 271,
 &end
#
# 18 VAL QG2 34 PHE QD 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 269, 270, 271,
 igr2= 535, 543,
 &end
#
# 18 VAL QG2 34 PHE QE 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 269, 270, 271,
 igr2= 537, 541,
 &end
#
# 18 VAL QG2 34 PHE HZ 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 269, 270, 271,
 &end
#
# 18 VAL QG2 87 VAL HA 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1382, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 269, 270, 271,
 &end
#
# 18 VAL QG2 87 VAL QQG 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 269, 270, 271,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 18 VAL QG2 60 VAL QQG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 269, 270, 271,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 79 VAL QQG 81 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=1250,1251,1252,1254,1255,1256,
 igr2=1283,1284,
 &end
#
# 79 VAL QQG 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=1250,1251,1252,1254,1255,1256,
 igr2=1308,1309,
 &end
#
# 79 VAL QQG 80 LEU H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 84 GLU H 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL HA 79 VAL QQG 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 82 GLY QA 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1250,1251,1252,1254,1255,1256,
 igr2=1293,1294,
 &end
#
# 8 PRO HA 10 VAL QQG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 34 PHE QD 60 VAL QQG 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 535, 543,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 30 LEU H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 60 VAL QQG 62 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QE 60 VAL QQG 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 537, 541,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL HA 60 VAL QQG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 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
#
# 59 PHE QB 60 VAL QQG 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 949, 950,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL QQG 60 VAL QQG 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 677, 678, 679, 681, 682, 683,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 59 PHE HA 60 VAL QQG 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 27 PRO HA 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE HB2 60 VAL QQG 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 78 ALA QB 85 LEU H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1238,1239,1240,
 &end
#
# 70 ASP HA 74 ALA QB 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1192,1193,1194,
 &end
#
# 72 MET HA 74 ALA QB 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1192,1193,1194,
 &end
#
# 74 ALA QB 75 MET QB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1192,1193,1194,
 igr2=1202,1203,
 &end
#
# 10 VAL QQG 11 GLU HA 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 9 ASP H 10 VAL QQG 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 34 PHE QD 71 ALA QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 535, 543,
 igr2=1153,1154,1155,
 &end
#
# 62 PHE HZ 71 ALA QB 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1153,1154,1155,
 &end
#
# 34 PHE QE 71 ALA QB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 537, 541,
 igr2=1153,1154,1155,
 &end
#
# 37 TYR HA 71 ALA QB 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1153,1154,1155,
 &end
#
# 37 TYR HB2 71 ALA QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1153,1154,1155,
 &end
#
# 59 PHE QE 90 ALA QB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 955, 959,
 igr2=1434,1435,1436,
 &end
#
# 15 SER QB 90 ALA QB 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 211, 212,
 igr2=1434,1435,1436,
 &end
#
# 16 LEU QQD 68 ALA QB 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1116,1117,1118,
 &end
#
# 16 LEU QQD 68 ALA QB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1116,1117,1118,
 &end
#
# 13 MET QE 14 THR H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 187, 188, 189,
 &end
#
# 9 ASP H 13 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 187, 188, 189,
 &end
#
# 13 MET QE 63 HIS HE1 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 187, 188, 189,
 &end
#
# 13 MET QB 13 MET QE 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 180, 181,
 igr2= 187, 188, 189,
 &end
#
# 13 MET QB 13 MET QE 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 180, 181,
 igr2= 187, 188, 189,
 &end
#
# 62 PHE HB2 68 ALA QB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1116,1117,1118,
 &end
#
# 15 SER H 68 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1116,1117,1118,
 &end
#
# 65 LYS H 68 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1116,1117,1118,
 &end
#
# 62 PHE QD 68 ALA QB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1013,1021,
 igr2=1116,1117,1118,
 &end
#
# 65 LYS HA 68 ALA QB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1116,1117,1118,
 &end
#
# 68 ALA QB 89 MET QE 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1116,1117,1118,
 igr2=1424,1425,1426,
 &end
#
# 72 MET H 72 MET QE 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1170,1171,1172,
 &end
#
# 69 GLU H 72 MET QE 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1170,1171,1172,
 &end
#
# 72 MET QE 73 ASP HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1170,1171,1172,
 &end
#
# 72 MET QE 73 ASP HB2 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=1170,1171,1172,
 &end
#
# 69 GLU QB 72 MET QE 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=1126,1127,
 igr2=1170,1171,1172,
 &end
#
# 68 ALA QB 72 MET QE 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1116,1117,1118,
 igr2=1170,1171,1172,
 &end
#
# 89 MET H 89 MET QE 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1424,1425,1426,
 &end
#
# 72 MET H 89 MET QE 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU HA 89 MET QE 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1424,1425,1426,
 &end
#
# 89 MET HA 89 MET QE 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1424,1425,1426,
 &end
#
# 89 MET QG 89 MET QE 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1420,1421,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU QB 89 MET QE 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 222, 223,
 igr2=1424,1425,1426,
 &end
#
# 16 LEU QQD 89 MET QE 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 227, 228, 229, 231, 232, 233,
 igr2=1424,1425,1426,
 &end
#
# 45 ILE QG2 57 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 714, 715, 716,
 igr2= 925, 929,
 &end
#
# 45 ILE QG2 47 ARG HA 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE HA 45 ILE QG2 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 714, 715, 716,
 &end
#
# 45 ILE QG2 46 PRO HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 714, 715, 716,
 &end
#
# 45 ILE QG2 46 PRO 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= 728, 729,
 &end
#
# 35 GLU H 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1209,1210,1211,
 &end
#
# 34 PHE QD 75 MET QE 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 535, 543,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL QQG 75 MET QE 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 517, 518, 519, 521, 522, 523,
 igr2=1209,1210,1211,
 &end
#
# 34 PHE QE 75 MET QE 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 537, 541,
 igr2=1209,1210,1211,
 &end
#
# 34 PHE HZ 75 MET QE 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1209,1210,1211,
 &end
#
# 33 VAL HA 75 MET QE 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1209,1210,1211,
 &end
#
# 37 TYR HB3 75 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1209,1210,1211,
 &end
#
# 75 MET QB 75 MET QE 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=1202,1203,
 igr2=1209,1210,1211,
 &end
#
# 45 ILE QD1 57 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 721, 722, 723,
 &end
#
# 28 ASP H 45 ILE QD1 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 721, 722, 723,
 &end
#
# 26 SER HA 45 ILE QD1 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE HA 45 ILE QD1 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 721, 722, 723,
 &end
#
# 27 PRO QD 45 ILE QD1 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 405, 406,
 igr2= 721, 722, 723,
 &end
#
# 45 ILE QD1 47 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= 721, 722, 723,
 igr2= 751, 752,
 &end
#
# 45 ILE QD1 58 ALA QB 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 721, 722, 723,
 igr2= 939, 940, 941,
 &end
#
# 44 TYR HA 45 ILE QD1 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 721, 722, 723,
 &end
#
# 20 ASN HB3 86 ARG HB2 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1360, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 15 SER HA 61 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 GLY QA 67 ASP QB 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 607, 608,
 igr2=1104,1105,
 &end
#
# 17 LYS HB2 59 PHE HA 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 947, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 90 ALA QB 91 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1434,1435,1436,
 &end
#
# 40 VAL H 62 PHE QD 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1013,1021,
 &end
#
# 35 GLU HA 40 VAL H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 636, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 39 ARG HA 40 VAL H 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 34 PHE HB3 40 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 GLU QG 40 VAL H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 554, 555,
 &end
#
# 35 GLU QG 40 VAL H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 554, 555,
 &end
#
# 40 VAL H 40 VAL HB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 39 ARG QG 40 VAL H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620,
 &end
#
# 40 VAL H 40 VAL QQG 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 40 VAL H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 39 ARG H 40 VAL H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 38 GLY QA 40 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 607, 608,
 &end
#
# 18 VAL H 59 PHE QD 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 953, 961,
 &end
#
# 18 VAL H 59 PHE HA 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 947, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 18 VAL H 87 VAL HA 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,1382, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 18 VAL H 60 VAL QQG 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 38 GLY H 40 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 VAL H 42 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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
#
# 17 LYS HB2 18 VAL H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 259, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 44 TYR QB 45 ILE H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 691, 692,
 &end
#
# 45 ILE H 45 ILE QG1 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 718, 719,
 &end
#
# 45 ILE H 45 ILE QG2 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 714, 715, 716,
 &end
#
# 35 GLU QB 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 551, 552,
 &end
#
# 45 ILE H 45 ILE QD1 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 721, 722, 723,
 &end
#
# 44 TYR QD 45 ILE H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 695, 704,
 &end
#
# 38 GLY H 39 ARG H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 37 TYR H 38 GLY H 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 605, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 37 TYR QD 38 GLY H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 592, 601,
 &end
#
# 38 GLY H 62 PHE QE 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1015,1019,
 &end
#
# 35 GLU HA 38 GLY H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 37 TYR HA 38 GLY H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 605, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 37 TYR HB2 38 GLY H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 605, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 37 TYR HB3 38 GLY H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 605, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 36 LYS HB3 38 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LYS QG 38 GLY H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 569, 570,
 &end
#
# 36 LYS QG 38 GLY H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 569, 570,
 &end
#
# 81 ASP H 83 ARG H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 81 ASP H 82 GLY QA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1293,1294,
 &end
#
# 44 TYR QE 45 ILE H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 697, 702,
 &end
#
# 81 ASP H 82 GLY QA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1293,1294,
 &end
#
# 80 LEU H 81 ASP H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 81 ASP H 81 ASP QB 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1283,1284,
 &end
#
# 81 ASP H 81 ASP QB 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1283,1284,
 &end
#
# 80 LEU QB 81 ASP H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1264,1265,
 &end
#
# 80 LEU HG 81 ASP H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1267,1279, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 81 ASP H 83 ARG HG2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1305, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 80 LEU QB 81 ASP H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1264,1265,
 &end
#
# 80 LEU QQD 81 ASP H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 80 LEU QQD 81 ASP H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 79 VAL QQG 81 ASP H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL H 80 LEU H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1260, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 80 LEU H 85 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 LEU H 83 ARG H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1298, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 79 VAL HA 80 LEU H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1260, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 80 LEU H 85 LEU HG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1344, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 80 LEU H 80 LEU QB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1264,1265,
 &end
#
# 80 LEU H 83 ARG HG3 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1306, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 80 LEU H 80 LEU HG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1267, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 80 LEU H 83 ARG HG2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1305, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 80 LEU H 80 LEU QB 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1264,1265,
 &end
#
# 80 LEU H 85 LEU QQD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 80 LEU H 85 LEU QQD 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 84 GLU H 85 LEU H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1337, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 20 ASN QD2 85 LEU H 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 296, 297,
 &end
#
# 85 LEU H 86 ARG H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1356, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 79 VAL HA 85 LEU H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1337, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 84 GLU HA 85 LEU H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1337, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 77 GLY HA2 85 LEU H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1337, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 85 LEU H 85 LEU HB2 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1341, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 84 GLU HB2 85 LEU H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1337, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 85 LEU H 85 LEU HG 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1344, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 84 GLU HB3 85 LEU H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &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
#
# 85 LEU H 85 LEU QQD 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 65 LYS H 66 ARG H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 64 ASP HA 65 LYS H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1054, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 64 ASP QB 65 LYS H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1046,1047,
 &end
#
# 64 ASP QB 65 LYS H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1046,1047,
 &end
#
# 65 LYS H 65 LYS QB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1058,1059,
 &end
#
# 65 LYS H 65 LYS QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1058,1059,
 &end
#
# 65 LYS H 65 LYS QD 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1064,1065,
 &end
#
# 65 LYS H 66 ARG QG 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1083,1084,
 &end
#
# 65 LYS H 65 LYS QG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1061,1062,
 &end
#
# 65 LYS H 65 LYS QG 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1061,1062,
 &end
#
# 14 THR QG2 65 LYS H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 199, 200, 201,
 &end
#
# 16 LEU HA 90 ALA H 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,1430, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 89 MET HA 90 ALA H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1430, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 90 ALA H 90 ALA QB 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1434,1435,1436,
 &end
#
# 17 LYS H 90 ALA H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1430, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 89 MET H 90 ALA H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1430, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 17 LYS HB3 90 ALA H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1430, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 89 MET QG 90 ALA H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1420,1421,
 &end
#
# 43 VAL HA 44 TYR H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 687, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 44 TYR H 60 VAL HA 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 967, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 43 VAL HB 44 TYR H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 687, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 44 TYR H 60 VAL QQG 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 49 ARG H 50 TYR QD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 809, 818,
 &end
#
# 48 ASP HA 49 ARG H 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 777, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 49 ARG H 49 ARG QB 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 781, 782,
 &end
#
# 49 ARG H 49 ARG QB 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 781, 782,
 &end
#
# 48 ASP QB 49 ARG H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 769, 770,
 &end
#
# 44 TYR H 60 VAL H 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 965, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 77 GLY H 87 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 ARG HA 87 VAL H 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1380, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 76 ASP HA 87 VAL H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1380, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 76 ASP QB 87 VAL H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1219,1220,
 &end
#
# 76 ASP QB 87 VAL H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1219,1220,
 &end
#
# 87 VAL H 87 VAL HB 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1384, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 43 VAL QQG 44 TYR H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 44 TYR H 59 PHE QD 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 953, 961,
 &end
#
# 49 ARG H 51 THR H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 822, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 49 ARG H 52 LYS H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 836, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 48 ASP QB 49 ARG H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 769, 770,
 &end
#
# 49 ARG H 49 ARG QG 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 784, 785,
 &end
#
# 81 ASP QB 82 GLY H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1283,1284,
 &end
#
# 80 LEU H 82 GLY H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1291, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 44 TYR H 45 ILE H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 708, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 81 ASP H 82 GLY H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1291, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 79 VAL HA 82 GLY H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1291, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 81 ASP HA 82 GLY H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1291, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 82 GLY H 82 GLY QA 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1293,1294,
 &end
#
# 81 ASP QB 82 GLY H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1283,1284,
 &end
#
# 79 VAL HB 82 GLY H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1291, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &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
#
# 80 LEU QQD 82 GLY H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1269,1270,1271,1273,1274,1275,
 &end
#
# 79 VAL QQG 82 GLY H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 79 VAL QQG 82 GLY H 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 44 TYR H 59 PHE QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 949, 950,
 &end
#
# 19 ASP H 86 ARG HB3 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1361, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 18 VAL QG1 19 ASP H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 265, 266, 267,
 &end
#
# 19 ASP H 86 ARG H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1356, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 19 ASP H 87 VAL HA 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1382, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 19 ASP H 19 ASP QB 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 279, 280,
 &end
#
# 18 VAL HB 19 ASP H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 19 ASP H 86 ARG HB2 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1360, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 18 VAL QG2 19 ASP H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 269, 270, 271,
 &end
#
# 60 VAL QQG 61 ARG H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 61 ARG H 61 ARG QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 985, 986,
 &end
#
# 60 VAL QQG 61 ARG H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 40 VAL QQG 61 ARG H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 18 VAL HB 61 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 VAL HB 61 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 ASP H 61 ARG H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 981, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 43 VAL HA 61 ARG H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 981, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 61 ARG H 61 ARG QG 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 988, 989,
 &end
#
# 17 LYS H 59 PHE QE 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 955, 959,
 &end
#
# 16 LEU HA 17 LYS H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 17 LYS H 89 MET HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1415, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 16 LEU QB 17 LYS H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 222, 223,
 &end
#
# 17 LYS H 17 LYS QG 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 244, 245,
 &end
#
# 16 LEU QQD 17 LYS H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 17 LYS H 17 LYS QG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 244, 245,
 &end
#
# 26 SER H 30 LEU H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 444, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 25 THR H 26 SER H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 393, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 26 SER H 26 SER QB 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 397, 398,
 &end
#
# 26 SER H 29 THR HB 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 434, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 26 SER H 26 SER QB 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 397, 398,
 &end
#
# 26 SER H 29 THR QG2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 436, 437, 438,
 &end
#
# 25 THR QG2 26 SER H 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 385, 386, 387,
 &end
#
# 21 LEU QQD 26 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 26 SER H 45 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 721, 722, 723,
 &end
#
# 26 SER H 27 PRO QD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 405, 406,
 &end
#
# 26 SER H 30 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LYS H 88 GLN QG 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1403,1404,
 &end
#
# 17 LYS H 17 LYS HB2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 17 LYS H 90 ALA QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1434,1435,1436,
 &end
#
# 48 ASP H 52 LYS QB 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 840, 841,
 &end
#
# 47 ARG QB 48 ASP H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 745, 746,
 &end
#
# 48 ASP H 53 GLU H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 858, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 48 ASP H 52 LYS HA 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 838, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 48 ASP H 48 ASP QB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 769, 770,
 &end
#
# 48 ASP H 48 ASP QB 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 769, 770,
 &end
#
# 48 ASP H 52 LYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 840, 841,
 &end
#
# 47 ARG QG 48 ASP H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 748, 749,
 &end
#
# 47 ARG QG 48 ASP H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 748, 749,
 &end
#
# 78 ALA H 85 LEU H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1337, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 77 GLY H 78 ALA H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 75 MET HA 78 ALA H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1234, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 76 ASP HA 78 ALA H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1234, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 77 GLY HA2 78 ALA H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1234, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 78 ALA H 85 LEU HB2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1341, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 75 MET QB 78 ALA H 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1202,1203,
 &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 78 ALA QB 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2=1238,1239,1240,
 &end
#
# 78 ALA H 85 LEU HB3 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1342, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 78 ALA H 87 VAL QQG 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 78 ALA H 85 LEU QQD 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 16 LEU H 62 PHE H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1005, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 15 SER QB 16 LEU H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 211, 212,
 &end
#
# 16 LEU H 61 ARG QG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 988, 989,
 &end
#
# 16 LEU H 68 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1116,1117,1118,
 &end
#
# 16 LEU H 90 ALA H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1430, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 15 SER QB 16 LEU H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 211, 212,
 &end
#
# 16 LEU H 16 LEU QQD 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU H 61 ARG HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 983, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 16 LEU H 17 LYS HA 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 239, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 16 LEU H 89 MET HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1415, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 101 SER H 101 SER QB 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1605,1606,
 &end
#
# 100 HIS QB 101 SER H 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1588,1589,
 &end
#
# 18 VAL H 60 VAL H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 965, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 59 PHE HA 60 VAL H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 965, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 60 VAL H 60 VAL HB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 969, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 18 VAL QG2 60 VAL H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 269, 270, 271,
 &end
#
# 59 PHE QB 60 VAL H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 949, 950,
 &end
#
# 60 VAL H 60 VAL QQG 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 17 LYS HA 60 VAL H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 965, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 59 PHE QD 60 VAL H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 953, 961,
 &end
#
# 19 ASP HA 60 VAL H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 965, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 60 VAL H 60 VAL QQG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 43 VAL QQG 60 VAL H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 677, 678, 679, 681, 682, 683,
 &end
#
# 58 ALA QB 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= 939, 940, 941,
 &end
#
# 18 VAL QG1 60 VAL H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 265, 266, 267,
 &end
#
# 16 LEU QB 62 PHE H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 222, 223,
 &end
#
# 62 PHE H 62 PHE HB2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1009, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 62 PHE H 63 HIS H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1025, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 62 PHE H 62 PHE QD 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1013,1021,
 &end
#
# 62 PHE H 62 PHE QE 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1015,1019,
 &end
#
# 15 SER HA 62 PHE H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1005, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 62 PHE H 62 PHE HB3 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1010, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 61 ARG QB 62 PHE H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 985, 986,
 &end
#
# 61 ARG QG 62 PHE H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 988, 989,
 &end
#
# 62 PHE H 68 ALA QB 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2=1116,1117,1118,
 &end
#
# 42 ASP HA 43 VAL H 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 671, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 43 VAL H 43 VAL HB 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 43 VAL H 44 TYR H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 687, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 42 ASP QB 43 VAL H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 663, 664,
 &end
#
# 40 VAL QQG 43 VAL H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 10 VAL H 11 GLU H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 154, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 11 GLU H 11 GLU QB 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 158, 159,
 &end
#
# 10 VAL QQG 11 GLU H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 9 ASP HA 11 GLU H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 154, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 87 VAL H 88 GLN H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1396, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 88 GLN H 88 GLN QB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1400,1401,
 &end
#
# 17 LYS HB2 88 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL QG2 88 GLN H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 269, 270, 271,
 &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 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1149, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 69 GLU QB 71 ALA H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1126,1127,
 &end
#
# 16 LEU QQD 71 ALA H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 70 ASP H 71 ALA H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1149, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 71 ALA H 73 ASP H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1176, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 37 TYR QD 71 ALA H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 592, 601,
 &end
#
# 37 TYR HB2 71 ALA H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1149, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 70 ASP HB3 71 ALA H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1149, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 70 ASP HB2 71 ALA H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1149, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 71 ALA H 72 MET HG2 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1166, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 71 ALA H 71 ALA QB 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1153,1154,1155,
 &end
#
# 71 ALA H 74 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1192,1193,1194,
 &end
#
# 17 LYS H 88 GLN H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1396, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 87 VAL HA 88 GLN H 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1382,1396, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 17 LYS HB3 88 GLN H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1396, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 87 VAL QQG 88 GLN H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1386,1387,1388,1390,1391,1392,
 &end
#
# 88 GLN H 89 MET H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,1413, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 88 GLN H 88 GLN QG 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1403,1404,
 &end
#
# 16 LEU QB 88 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 223,
 &end
#
# 86 ARG HB3 88 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ALA H 72 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1170,1171,1172,
 &end
#
# 23 TYR H 23 TYR QD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 342, 351,
 &end
#
# 22 THR HB 23 TYR H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 23 TYR H 23 TYR QB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 338, 339,
 &end
#
# 22 THR QG2 23 TYR H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 326, 327, 328,
 &end
#
# 22 THR H 23 TYR H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 334, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 23 TYR H 23 TYR QB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 338, 339,
 &end
#
# 89 MET H 89 MET QG 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1420,1421,
 &end
#
# 89 MET H 89 MET QG 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1420,1421,
 &end
#
# 88 GLN QG 89 MET H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1403,1404,
 &end
#
# 88 GLN QB 89 MET H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1400,1401,
 &end
#
# 88 GLN QB 89 MET H 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1400,1401,
 &end
#
# 89 MET H 89 MET QB 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1417,1418,
 &end
#
# 16 LEU QQD 89 MET H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 23 TYR H 23 TYR QE 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 344, 349,
 &end
#
# 3 TYR H 4 GLY H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  53, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 3 TYR H 3 TYR QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=  40,  49,
 &end
#
# 2 SER HA 3 TYR H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  32, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 2 SER H 2 SER QB 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=  25,  26,
 &end
#
# 2 SER QB 3 TYR H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  25,  26,
 &end
#
# 3 TYR H 3 TYR QB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=  36,  37,
 &end
#
# 3 TYR H 3 TYR QB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=  36,  37,
 &end
#
# 3 TYR H 3 TYR QE 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=  42,  47,
 &end
#
# 20 ASN HB3 84 GLU H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1322, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 83 ARG H 84 GLU H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1322, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 94 ARG H 95 PRO QD 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1517,1518,
 &end
#
# 80 LEU H 84 GLU H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1322, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 20 ASN QD2 84 GLU H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 296, 297,
 &end
#
# 83 ARG HG3 84 GLU H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1322, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 83 ARG HG2 84 GLU H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1322, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 20 ASN QD2 84 GLU H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 296, 297,
 &end
#
# 83 ARG HA 84 GLU H 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1322, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
# 83 ARG QD 84 GLU H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1308,1309,
 &end
#
# 84 GLU H 84 GLU HB2 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 83 ARG QB 84 GLU H 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr1=1302,1303,
 &end
#
# 79 VAL QQG 84 GLU H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 84 GLU H 85 LEU QQD 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 54 SER H 55 ARG H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 884, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 55 ARG H 56 GLY H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 908, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 55 ARG H 57 PHE H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 54 SER HA 55 ARG H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 884, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 47 ARG QD 55 ARG H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 751, 752,
 &end
#
# 55 ARG H 55 ARG QD 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 894, 895,
 &end
#
# 55 ARG H 55 ARG QG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 891, 892,
 &end
#
# 2 SER H 3 TYR QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  36,  37,
 &end
#
# 86 ARG H 87 VAL H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1380, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 85 LEU HA 86 ARG H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1356, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 85 LEU HB2 86 ARG H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1356, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 86 ARG H 86 ARG HB3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 86 ARG H 86 ARG QG 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1363,1364,
 &end
#
# 85 LEU QQD 86 ARG H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1346,1347,1348,1350,1351,1352,
 &end
#
# 85 LEU HB3 86 ARG H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1356, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 93 GLY H 94 ARG H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1492, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 94 ARG H 94 ARG QD 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1502,1503,
 &end
#
# 94 ARG H 95 PRO QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1520,1521,
 &end
#
# 19 ASP QB 86 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 279, 280,
 &end
#
# 93 GLY QA 94 ARG H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1=1487,1488,
 &end
#
# 94 ARG H 94 ARG QG 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1499,1500,
 &end
#
# 94 ARG H 94 ARG QB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1496,1497,
 &end
#
# 68 ALA H 70 ASP H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1137, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 2 SER H 3 TYR QD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=  40,  49,
 &end
#
# 37 TYR QD 70 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 601,
 &end
#
# 70 ASP H 72 MET H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1159, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 66 ARG HA 70 ASP H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1137, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 70 ASP H 70 ASP HB3 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1142, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 70 ASP H 70 ASP HB2 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1141, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 69 GLU QG 70 ASP H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1129,1130,
 &end
#
# 69 GLU QB 70 ASP H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1126,1127,
 &end
#
# 66 ARG QG 70 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1083,1084,
 &end
#
# 70 ASP H 71 ALA QB 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1153,1154,1155,
 &end
#
# 82 GLY H 83 ARG H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1298, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 79 VAL HA 83 ARG H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1298, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 81 ASP HA 83 ARG H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1298, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 82 GLY QA 83 ARG H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1293,1294,
 &end
#
# 83 ARG H 84 GLU HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1324, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 82 GLY QA 83 ARG H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1293,1294,
 &end
#
# 83 ARG H 83 ARG QD 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1308,1309,
 &end
#
# 83 ARG H 83 ARG QB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1302,1303,
 &end
#
# 83 ARG H 83 ARG HG3 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 83 ARG H 83 ARG HG2 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1305, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 22 THR QG2 83 ARG H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 326, 327, 328,
 &end
#
# 79 VAL QQG 83 ARG H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 83 ARG H 85 LEU QQD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 79 VAL QQG 83 ARG H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1250,1251,1252,1254,1255,1256,
 &end
#
# 92 TYR H 92 TYR QD 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1472,1481,
 &end
#
# 92 TYR H 92 TYR QB 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1468,1469,
 &end
#
# 92 TYR H 92 TYR QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1468,1469,
 &end
#
# 91 ARG QB 92 TYR H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1444,1445,
 &end
#
# 5 ARG H 6 PRO QD 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=  85,  86,
 &end
#
# 5 ARG H 5 ARG QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=  70,  71,
 &end
#
# 5 ARG H 5 ARG QG 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=  67,  68,
 &end
#
# 5 ARG H 5 ARG QB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=  64,  65,
 &end
#
# 75 MET QG 76 ASP H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1205,1206,
 &end
#
# 75 MET H 76 ASP H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1215, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 74 ALA H 76 ASP H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1215, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 76 ASP H 86 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 ALA HA 76 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 MET HA 76 ASP H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 76 ASP H 76 ASP QB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1219,1220,
 &end
#
# 76 ASP H 76 ASP QB 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1219,1220,
 &end
#
# 72 MET HG3 76 ASP H 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1215, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 75 MET QB 76 ASP H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1202,1203,
 &end
#
# 76 ASP H 78 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1238,1239,1240,
 &end
#
# 76 ASP H 87 VAL QQG 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 76 ASP H 87 VAL H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1380, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 72 MET HG2 76 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 ARG H 48 ASP H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 765, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 45 ILE H 47 ARG H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 741, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 44 TYR QE 47 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 702,
 &end
#
# 46 PRO HA 47 ARG H 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 741, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 46 PRO QB 47 ARG H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 734, 735,
 &end
#
# 46 PRO QG 47 ARG H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 731, 732,
 &end
#
# 47 ARG H 47 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 748, 749,
 &end
#
# 47 ARG H 47 ARG QB 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 745, 746,
 &end
#
# 47 ARG H 47 ARG QG 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 748, 749,
 &end
#
# 45 ILE HA 47 ARG H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 741, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 47 ARG H 47 ARG QD 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 751, 752,
 &end
#
# 45 ILE QG2 47 ARG H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 714, 715, 716,
 &end
#
# 41 GLY QA 63 HIS H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 654, 655,
 &end
#
# 62 PHE HB3 63 HIS H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 64 ASP H 65 LYS H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1054, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 63 HIS H 64 ASP H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1042, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 62 PHE QD 64 ASP H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1013,1021,
 &end
#
# 62 PHE HA 64 ASP H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1042, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 62 PHE HB3 64 ASP H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1042, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 63 HIS QB 64 ASP H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1029,1030,
 &end
#
# 64 ASP H 64 ASP QB 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1046,1047,
 &end
#
# 64 ASP H 68 ALA QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1116,1117,1118,
 &end
#
# 63 HIS HD2 64 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 PHE HB2 64 ASP H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1042, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 97 ASP H 97 ASP QB 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1544,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1548,1549,
 &end
#
# 96 PRO QB 97 ASP H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1537,1538,
 &end
#
# 62 PHE QD 63 HIS H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1013,1021,
 &end
#
# 62 PHE HA 63 HIS H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1025, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 63 HIS H 63 HIS QB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1029,1030,
 &end
#
# 62 PHE HB2 63 HIS H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1025, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 63 HIS H 64 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1046,1047,
 &end
#
# 63 HIS H 63 HIS QB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1029,1030,
 &end
#
# 65 LYS H 67 ASP H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1100, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 62 PHE HB3 67 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 68 ALA H 69 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1129,1130,
 &end
#
# 64 ASP H 67 ASP H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1100, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 67 ASP H 69 GLU H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 62 PHE QD 67 ASP H 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1013,1021,
 &end
#
# 67 ASP H 68 ALA H 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1112, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 64 ASP HA 67 ASP H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1044,1100, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 38 GLY QA 67 ASP H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 607, 608,
 &end
#
# 65 LYS HA 67 ASP H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1100, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 66 ARG QD 67 ASP H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1086,1087,
 &end
#
# 67 ASP H 67 ASP QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1104,1105,
 &end
#
# 64 ASP QB 67 ASP H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1046,1047,
 &end
#
# 67 ASP H 67 ASP QB 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1104,1105,
 &end
#
# 66 ARG QB 67 ASP H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1080,1081,
 &end
#
# 66 ARG QG 67 ASP H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1083,1084,
 &end
#
# 67 ASP H 68 ALA QB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1116,1117,1118,
 &end
#
# 64 ASP H 68 ALA H 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1112, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 62 PHE HB3 68 ALA H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1112, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 65 LYS QB 68 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
# 68 ALA H 69 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1126,1127,
 &end
#
# 68 ALA H 89 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=1424,1425,1426,
 &end
#
# 66 ARG H 68 ALA H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1112, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 68 ALA H 69 GLU H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 66 ARG HA 68 ALA H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1112, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 65 LYS HA 68 ALA H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1112, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 68 ALA H 69 GLU QG 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1129,1130,
 &end
#
# 66 ARG QB 68 ALA H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1080,1081,
 &end
#
# 68 ALA H 68 ALA QB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1116,1117,1118,
 &end
#
# 14 THR QG2 68 ALA H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 199, 200, 201,
 &end
#
# 16 LEU QQD 68 ALA H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 14 THR H 14 THR HB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 197, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 13 MET QB 14 THR H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 180, 181,
 &end
#
# 14 THR H 14 THR QG2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 199, 200, 201,
 &end
#
# 35 GLU H 37 TYR QD 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 592, 601,
 &end
#
# 32 ARG HA 35 GLU H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 547, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 34 PHE HB3 35 GLU H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 35 GLU H 35 GLU QG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 554, 555,
 &end
#
# 35 GLU H 35 GLU QG 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 554, 555,
 &end
#
# 35 GLU H 35 GLU QB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 551, 552,
 &end
#
# 35 GLU H 35 GLU QB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 551, 552,
 &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
#
# 32 ARG H 35 GLU H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 547, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 33 VAL HA 35 GLU H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 547, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 35 GLU H 36 LYS HB3 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 24 ARG HB3 25 THR H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 379, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 24 ARG HB2 25 THR H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 379, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 21 LEU QQD 25 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 22 THR H 25 THR H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 379, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 25 THR H 25 THR HB 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 383, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &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
#
# 21 LEU QB 25 THR H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 305, 306,
 &end
#
# 25 THR H 25 THR QG2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 385, 386, 387,
 &end
#
# 34 PHE H 35 GLU H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 547, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 35 GLU H 38 GLY H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 605, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 31 ARG HA 35 GLU H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 547, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 34 PHE HB2 35 GLU H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 547, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 33 VAL QQG 35 GLU H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 29 THR HA 31 ARG H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 463, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 53 GLU H 54 SER H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 873, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 53 GLU H 53 GLU QG 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 865, 866,
 &end
#
# 53 GLU H 53 GLU QG 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 865, 866,
 &end
#
# 51 THR H 53 GLU H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 858, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 53 GLU H 53 GLU QB 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 862, 863,
 &end
#
# 53 GLU H 53 GLU QB 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 862, 863,
 &end
#
# 23 TYR H 25 THR H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 379, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 21 LEU QQD 25 THR H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 31 ARG H 32 ARG H 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 487, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 30 LEU H 31 ARG H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 463, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 28 ASP HA 31 ARG H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 463, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 31 ARG H 31 ARG QD 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 473, 474,
 &end
#
# 28 ASP QB 31 ARG H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 422, 423,
 &end
#
# 31 ARG H 31 ARG QB 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 467, 468,
 &end
#
# 30 LEU HB2 31 ARG H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 463, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 30 LEU HB3 31 ARG H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 463, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 31 ARG H 33 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 31 ARG H 43 VAL QQG 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 48 ASP QB 53 GLU H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 769, 770,
 &end
#
# 48 ASP QB 53 GLU H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 769, 770,
 &end
#
# 47 ARG QG 53 GLU H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 748, 749,
 &end
#
# 51 THR QG2 53 GLU H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829, 830,
 &end
#
# 28 ASP QB 30 LEU H 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 422, 423,
 &end
#
# 11 GLU QB 13 MET H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 158, 159,
 &end
#
# 30 LEU H 30 LEU HB3 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 30 LEU H 33 VAL QQG 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 30 LEU H 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 30 LEU H 30 LEU QQD 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 30 LEU H 30 LEU HB2 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 448, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 30 LEU H 30 LEU HG 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 451, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 25 THR QG2 30 LEU H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 385, 386, 387,
 &end
#
# 30 LEU H 33 VAL QQG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 79 VAL H 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 VAL H 11 GLU QG 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 161, 162,
 &end
#
# 29 THR HB 30 LEU H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 444, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 30 LEU H 31 ARG HA 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 465, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 30 LEU H 45 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 721, 722, 723,
 &end
#
# 78 ALA H 79 VAL H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 78 ALA HA 79 VAL H 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1244, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 79 VAL H 79 VAL HB 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 78 ALA QB 79 VAL H 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1238,1239,1240,
 &end
#
# 79 VAL H 79 VAL QQG 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1250,1251,1252,1254,1255,1256,
 &end
#
# 65 LYS QB 66 ARG H 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1058,1059,
 &end
#
# 66 ARG H 66 ARG QB 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2=1080,1081,
 &end
#
# 66 ARG H 66 ARG QG 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1083,1084,
 &end
#
# 66 ARG H 67 ASP H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1100, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 66 ARG H 66 ARG QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1086,1087,
 &end
#
# 64 ASP QB 66 ARG H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1046,1047,
 &end
#
# 66 ARG H 68 ALA QB 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1116,1117,1118,
 &end
#
# 70 ASP HA 72 MET H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1159, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 70 ASP HB3 72 MET H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1159, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 71 ALA H 72 MET H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1159, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 72 MET H 73 ASP H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1176, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 72 MET H 74 ALA H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1188, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 72 MET H 73 ASP HA 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1178, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 72 MET H 73 ASP HB3 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1181, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 72 MET H 73 ASP HB2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1180, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 72 MET H 72 MET HG3 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1167, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 72 MET H 72 MET HG2 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1166, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 72 MET H 72 MET QB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2=1163,1164,
 &end
#
# 71 ALA QB 72 MET H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1153,1154,1155,
 &end
#
# 16 LEU QQD 72 MET H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 72 MET H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 9 ASP HA 10 VAL H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 9 ASP QB 10 VAL H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 130, 131,
 &end
#
# 10 VAL H 10 VAL HB 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 142, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 9 ASP H 10 VAL H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 10 VAL H 11 GLU QB 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 158, 159,
 &end
#
# 8 PRO QB 10 VAL H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 119, 120,
 &end
#
# 10 VAL H 13 MET QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 187, 188, 189,
 &end
#
# 10 VAL H 10 VAL QQG 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 144, 145, 146, 148, 149, 150,
 &end
#
# 14 THR QG2 66 ARG H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 199, 200, 201,
 &end
#
# 13 MET H 13 MET QB 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 180, 181,
 &end
#
# 10 VAL QQG 13 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 35 GLU QG 36 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 554, 555,
 &end
#
# 35 GLU H 36 LYS H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 36 LYS H 37 TYR H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 584, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 36 LYS H 38 GLY H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 605, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 36 LYS H 37 TYR QD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 592, 601,
 &end
#
# 36 LYS H 37 TYR QE 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 594, 599,
 &end
#
# 34 PHE HA 36 LYS H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 562, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 36 LYS H 37 TYR HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 586, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 36 LYS H 36 LYS HA 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 564, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 35 GLU QB 36 LYS H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 551, 552,
 &end
#
# 35 GLU QB 36 LYS H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 551, 552,
 &end
#
# 36 LYS H 36 LYS HB3 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 36 LYS H 36 LYS QG 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 569, 570,
 &end
#
# 33 VAL QQG 36 LYS H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 36 LYS H 40 VAL QQG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE H 36 LYS H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 562, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 21 LEU HG 58 ALA H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 935, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 21 LEU QB 58 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 305, 306,
 &end
#
# 57 PHE QD 58 ALA H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 923, 931,
 &end
#
# 57 PHE HA 58 ALA H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 935, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 19 ASP HA 58 ALA H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 935, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 57 PHE QB 58 ALA H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 919, 920,
 &end
#
# 57 PHE QB 58 ALA H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 919, 920,
 &end
#
# 58 ALA H 58 ALA QB 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 939, 940, 941,
 &end
#
# 21 LEU QQD 58 ALA H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 57 PHE QE 58 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
# 27 PRO HA 29 THR H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 29 THR H 31 ARG QB 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 467, 468,
 &end
#
# 29 THR H 30 LEU HG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 451, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 29 THR H 31 ARG H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 463, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 26 SER H 29 THR H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 430, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 26 SER HA 29 THR H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 430, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 26 SER QB 29 THR H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 397, 398,
 &end
#
# 27 PRO QD 29 THR H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 405, 406,
 &end
#
# 29 THR H 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 29 THR H 30 LEU H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 444, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 28 ASP QB 29 THR H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 422, 423,
 &end
#
# 29 THR H 29 THR QG2 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 436, 437, 438,
 &end
#
# 74 ALA H 75 MET QB 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1202,1203,
 &end
#
# 74 ALA H 75 MET H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1198, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 73 ASP H 74 ALA H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1188, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 37 TYR QE 74 ALA H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 594, 599,
 &end
#
# 74 ALA H 75 MET HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 73 ASP HA 74 ALA H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1188, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 72 MET HA 74 ALA H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1188, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 71 ALA HA 74 ALA H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1188, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 73 ASP HB3 74 ALA H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1188, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 72 MET HG2 74 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ALA QB 74 ALA H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1153,1154,1155,
 &end
#
# 74 ALA H 74 ALA QB 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=1192,1193,1194,
 &end
#
# 49 ARG QB 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= 781, 782,
 &end
#
# 49 ARG QG 50 TYR H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 784, 785,
 &end
#
# 50 TYR H 51 THR H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 822, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 49 ARG H 50 TYR H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 801, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 50 TYR H 52 LYS H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 836, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 48 ASP HA 50 TYR H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 801, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 50 TYR H 51 THR HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 824, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 50 TYR H 52 LYS HA 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 838, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 48 ASP QB 50 TYR H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 769, 770,
 &end
#
# 50 TYR H 50 TYR QB 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 805, 806,
 &end
#
# 48 ASP 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= 769, 770,
 &end
#
# 76 ASP QB 77 GLY H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1219,1220,
 &end
#
# 76 ASP QB 77 GLY H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1219,1220,
 &end
#
# 77 GLY H 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 77 GLY H 85 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 77 GLY H 85 LEU H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1337, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 76 ASP H 77 GLY H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 GLY H 86 ARG HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1358, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 76 ASP HA 77 GLY H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 77 GLY H 85 LEU HB2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1341, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 75 MET QB 77 GLY H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1202,1203,
 &end
#
# 77 GLY H 78 ALA QB 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1238,1239,1240,
 &end
#
# 77 GLY H 87 VAL QQG 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1386,1387,1388,1390,1391,1392,
 &end
#
# 9 ASP H 9 ASP QB 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 130, 131,
 &end
#
# 9 ASP H 10 VAL HA 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 140, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 66 ARG QG 69 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1083,1084,
 &end
#
# 69 GLU H 71 ALA H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1149, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 66 ARG H 69 GLU H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1122, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 66 ARG HA 69 GLU H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1122, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 65 LYS HA 69 GLU H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1122, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 69 GLU H 69 GLU QG 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1129,1130,
 &end
#
# 69 GLU H 69 GLU QG 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1129,1130,
 &end
#
# 69 GLU H 69 GLU QB 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1126,1127,
 &end
#
# 68 ALA QB 69 GLU H 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1116,1117,1118,
 &end
#
# 16 LEU QQD 69 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 16 LEU QQD 69 GLU H 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 73 ASP H 74 ALA QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1192,1193,1194,
 &end
#
# 73 ASP H 75 MET H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1198, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 73 ASP H 74 ALA HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1190, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 73 ASP H 73 ASP HB3 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1181, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 73 ASP H 73 ASP HB2 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1180, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 72 MET HG3 73 ASP H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1176, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 72 MET HG2 73 ASP H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 72 MET QE 73 ASP H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1170,1171,1172,
 &end
#
# 72 MET QB 73 ASP H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=1163,1164,
 &end
#
# 71 ALA QB 73 ASP H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1153,1154,1155,
 &end
#
# 34 PHE H 75 MET QE 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1209,1210,1211,
 &end
#
# 47 ARG HA 54 SER H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 873, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 53 GLU HA 54 SER H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 873, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 52 LYS HA 54 SER H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 873, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 54 SER H 54 SER QB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 877, 878,
 &end
#
# 54 SER H 54 SER QB 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 877, 878,
 &end
#
# 53 GLU QG 54 SER H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 865, 866,
 &end
#
# 53 GLU QG 54 SER H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 865, 866,
 &end
#
# 53 GLU QB 54 SER H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 862, 863,
 &end
#
# 45 ILE QG2 54 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 714, 715, 716,
 &end
#
# 34 PHE H 37 TYR QD 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 592, 601,
 &end
#
# 34 PHE H 40 VAL QQG 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 34 PHE H 34 PHE QD 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 535, 543,
 &end
#
# 34 PHE H 34 PHE QE 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 537, 541,
 &end
#
# 30 LEU HA 34 PHE H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 527, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 31 ARG HA 34 PHE H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 34 PHE H 34 PHE HB3 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 34 PHE H 34 PHE HB2 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 32 ARG QB 34 PHE H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 491, 492,
 &end
#
# 30 LEU HB3 34 PHE H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 527, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 33 VAL QQG 34 PHE H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL QQG 34 PHE H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 517, 518, 519, 521, 522, 523,
 &end
#
# 47 ARG QD 54 SER H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 751, 752,
 &end
#
# 53 GLU QB 54 SER H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 862, 863,
 &end
#
# 34 PHE H 35 GLU HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 97 ASP HA 98 SER H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1546,1556, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 98 SER H 98 SER QB 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1560,1561,
 &end
#
# 97 ASP QB 98 SER H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1548,1549,
 &end
#
# 97 ASP H 98 SER H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1544,1556, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 32 ARG H 34 PHE HB2 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 531, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 44 TYR H 59 PHE H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 945, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 57 PHE QE 59 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
# 59 PHE H 59 PHE QD 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 953, 961,
 &end
#
# 58 ALA HA 59 PHE H 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 45 ILE HA 59 PHE H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 945, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 46 PRO QD 59 PHE H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 728, 729,
 &end
#
# 59 PHE H 59 PHE QB 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 949, 950,
 &end
#
# 58 ALA QB 59 PHE H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 939, 940, 941,
 &end
#
# 30 LEU QQD 59 PHE H 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 453, 454, 455, 457, 458, 459,
 &end
#
# 45 ILE QG2 59 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 714, 715, 716,
 &end
#
# 59 PHE H 60 VAL QQG 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 59 PHE H 60 VAL H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 965, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 39 ARG H 40 VAL QQG 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 29 THR HA 32 ARG H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 31 ARG QD 32 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 474,
 &end
#
# 32 ARG H 32 ARG QD 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 497, 498,
 &end
#
# 31 ARG QB 32 ARG H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr1= 467, 468,
 &end
#
# 32 ARG H 32 ARG QG 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 494, 495,
 &end
#
# 38 GLY QA 39 ARG H 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1= 607, 608,
 &end
#
# 39 ARG H 67 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 ARG H 67 ASP QB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1104,1105,
 &end
#
# 39 ARG H 39 ARG QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 616, 617,
 &end
#
# 39 ARG H 39 ARG QG 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 619, 620,
 &end
#
# 28 ASP H 29 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 436, 437, 438,
 &end
#
# 28 ASP HA 32 ARG H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 28 ASP QB 32 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 422, 423,
 &end
#
# 29 THR QG2 32 ARG H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 436, 437, 438,
 &end
#
# 32 ARG H 33 VAL QQG 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 42 ASP H 60 VAL HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 967, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 42 ASP H 62 PHE HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 40 VAL HA 42 ASP H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 659, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 28 ASP H 29 THR H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 28 ASP H 30 LEU H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 444, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 26 SER HA 28 ASP H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 418, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 26 SER QB 28 ASP H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 397, 398,
 &end
#
# 27 PRO QD 28 ASP H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 405, 406,
 &end
#
# 28 ASP H 28 ASP QB 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2= 422, 423,
 &end
#
# 27 PRO QG 28 ASP H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 408, 409,
 &end
#
# 28 ASP H 43 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 41 GLY H 42 ASP H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &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 H 42 ASP QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 663, 664,
 &end
#
# 42 ASP H 61 ARG QG 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 988, 989,
 &end
#
# 42 ASP H 43 VAL QQG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 40 VAL QQG 42 ASP H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 28 ASP H 30 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 453, 454, 455, 457, 458, 459,
 &end
#
# 40 VAL HB 41 GLY H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 652, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 41 GLY H 62 PHE QD 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1013,1021,
 &end
#
# 41 GLY H 62 PHE HA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1007, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 40 VAL HA 41 GLY H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 652, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 39 ARG QG 41 GLY H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 619, 620,
 &end
#
# 40 VAL QQG 41 GLY H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 642, 643, 644, 646, 647, 648,
 &end
#
# 39 ARG QG 41 GLY H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 619, 620,
 &end
#
# 40 VAL H 41 GLY H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 652, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 31 ARG HA 33 VAL H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 511, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 33 VAL H 35 GLU H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 547, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 33 VAL H 34 PHE H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 527, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 30 LEU H 33 VAL H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 511, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 30 LEU HA 33 VAL H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 32 ARG QD 33 VAL H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 497, 498,
 &end
#
# 33 VAL H 33 VAL HB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 32 ARG QB 33 VAL H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 491, 492,
 &end
#
# 32 ARG QG 33 VAL H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 494, 495,
 &end
#
# 31 ARG QG 33 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 470, 471,
 &end
#
# 29 THR QG2 33 VAL H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 436, 437, 438,
 &end
#
# 33 VAL H 33 VAL QQG 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 517, 518, 519, 521, 522, 523,
 &end
#
# 33 VAL H 34 PHE HB2 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 531, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 21 LEU H 22 THR H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 320, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 21 LEU H 57 PHE HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 917, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 21 LEU H 57 PHE QB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 919, 920,
 &end
#
# 21 LEU H 21 LEU HG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 21 LEU H 21 LEU QB 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 305, 306,
 &end
#
# 21 LEU H 21 LEU QB 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 305, 306,
 &end
#
# 33 VAL H 34 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ASN H 21 LEU H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 301, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 19 ASP HA 21 LEU H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 301, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 20 ASN HB3 21 LEU H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 19 ASP QB 21 LEU H 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 279, 280,
 &end
#
# 20 ASN HB2 21 LEU H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 301, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 21 LEU H 21 LEU QQD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 310, 311, 312, 314, 315, 316,
 &end
#
# 35 GLU H 37 TYR H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 584, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 37 TYR H 37 TYR QD 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 592, 601,
 &end
#
# 37 TYR H 62 PHE QE 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1015,1019,
 &end
#
# 37 TYR H 37 TYR QE 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 594, 599,
 &end
#
# 35 GLU HA 37 TYR H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 584, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 34 PHE HA 37 TYR H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 584, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 37 TYR H 37 TYR HB2 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 37 TYR H 37 TYR HB3 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 589, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 36 LYS HB3 37 TYR H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 584, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 37 TYR H 71 ALA QB 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1153,1154,1155,
 &end
#
# 36 LYS QG 37 TYR H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 569, 570,
 &end
#
# 36 LYS QG 37 TYR H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 569, 570,
 &end
#
# 37 TYR H 40 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 642, 643, 644, 646, 647, 648,
 &end
#
# 37 TYR H 38 GLY QA 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 607, 608,
 &end
#
# 23 TYR H 24 ARG H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 355, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 23 TYR QD 24 ARG H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 342, 351,
 &end
#
# 24 ARG H 24 ARG HB3 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 24 ARG H 24 ARG QG 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 362, 363,
 &end
#
# 24 ARG H 25 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 385, 386, 387,
 &end
#
# 22 THR H 24 ARG H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 355, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 22 THR HB 24 ARG H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 355, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 24 ARG H 25 THR HB 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 383, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 24 ARG H 24 ARG QD 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 365, 366,
 &end
#
# 24 ARG H 24 ARG HB2 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 22 THR QG2 24 ARG H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 326, 327, 328,
 &end
#
# 23 TYR QB 24 ARG H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 338, 339,
 &end
#
# 50 TYR HA 52 LYS H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 836, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 48 ASP QB 52 LYS H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 769, 770,
 &end
#
# 48 ASP HA 52 LYS H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 836, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 49 ARG HA 52 LYS H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 836, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 51 THR H 52 LYS H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 52 LYS H 53 GLU H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 48 ASP QB 52 LYS H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 769, 770,
 &end
#
# 52 LYS H 52 LYS QB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 840, 841,
 &end
#
# 52 LYS H 52 LYS QB 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 840, 841,
 &end
#
# 47 ARG QG 52 LYS H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 748, 749,
 &end
#
# 51 THR QG2 52 LYS H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 828, 829, 830,
 &end
#
# 48 ASP H 52 LYS H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 836, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 52 LYS H 53 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 862, 863,
 &end
#
# 57 PHE H 58 ALA H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 57 PHE H 57 PHE QD 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 923, 931,
 &end
#
# 55 ARG HA 57 PHE H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 915, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 45 ILE QG1 57 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 718, 719,
 &end
#
# 45 ILE QG2 57 PHE H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 714, 715, 716,
 &end
#
# 21 LEU QQD 57 PHE H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 56 GLY H 57 PHE H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 57 PHE H 57 PHE QE 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 925, 929,
 &end
#
# 55 ARG QG 57 PHE H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 891, 892,
 &end
#
# 88 GLN QG 88 GLN QE2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1403,1404,
 igr2=1408,1409,
 &end
#
# 88 GLN QB 88 GLN QE2 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1400,1401,
 igr2=1408,1409,
 &end
#
# 73 ASP HA 75 MET H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1198, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 72 MET HA 75 MET H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1198, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 75 MET H 75 MET QB 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1202,1203,
 &end
#
# 75 MET H 75 MET QG 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1205,1206,
 &end
#
# 75 MET H 75 MET QG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1205,1206,
 &end
#
# 74 ALA QB 75 MET H 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=1192,1193,1194,
 &end
#
# 88 GLN H 88 GLN QE2 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1408,1409,
 &end
#
# 18 VAL HA 88 GLN QE2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1408,1409,
 &end
#
# 86 ARG QD 88 GLN QE2 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1366,1367,
 igr2=1408,1409,
 &end
#
# 88 GLN QG 88 GLN QE2 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1403,1404,
 igr2=1408,1409,
 &end
#
# 88 GLN QB 88 GLN QE2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1400,1401,
 igr2=1408,1409,
 &end
#
# 88 GLN QB 88 GLN QE2 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1400,1401,
 igr2=1408,1409,
 &end
#
# 87 VAL QQG 88 GLN QE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1386,1387,1388,1390,1391,1392,
 igr2=1408,1409,
 &end
#
# 87 VAL QQG 88 GLN QE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1386,1387,1388,1390,1391,1392,
 igr2=1408,1409,
 &end
#
# 18 VAL HA 88 GLN QE2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1408,1409,
 &end
#
# 86 ARG QD 88 GLN QE2 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1=1366,1367,
 igr2=1408,1409,
 &end
#
# 37 TYR QE 75 MET H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 594, 599,
 &end
#
# 75 MET H 76 ASP QB 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1219,1220,
 &end
#
# 71 ALA HA 75 MET H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1198, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 71 ALA QB 75 MET H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1153,1154,1155,
 &end
#
# 19 ASP QB 20 ASN H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 279, 280,
 &end
#
# 20 ASN H 57 PHE HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 917, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 22 THR H 81 ASP QB 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1283,1284,
 &end
#
# 20 ASN QD2 21 LEU H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 296, 297,
 &end
#
# 20 ASN HB3 20 ASN QD2 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 296, 297,
 &end
#
# 20 ASN QD2 83 ARG HG3 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 296, 297,
 &end
#
# 20 ASN HA 20 ASN QD2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 296, 297,
 &end
#
# 20 ASN QD2 85 LEU HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 296, 297,
 &end
#
# 20 ASN QD2 85 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 296, 297,
 &end
#
# 20 ASN HA 20 ASN QD2 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 296, 297,
 &end
#
# 20 ASN HB3 20 ASN QD2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 296, 297,
 &end
#
# 20 ASN QD2 83 ARG QD 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 296, 297,
 igr2=1308,1309,
 &end
#
# 20 ASN QD2 84 GLU HB2 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 296, 297,
 &end
#
# 20 ASN QD2 83 ARG HG3 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 296, 297,
 &end
#
# 20 ASN QD2 85 LEU QQD 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 296, 297,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN QD2 83 ARG QB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 296, 297,
 igr2=1302,1303,
 &end
#
# 20 ASN QD2 84 GLU HB3 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 296, 297,
 &end
#
# 22 THR H 25 THR HB 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 383, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 21 LEU HA 22 THR H 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 320, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 22 THR H 24 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 THR H 83 ARG HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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
#
# 22 THR H 80 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,1267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 THR H 83 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 THR H 22 THR QG2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 326, 327, 328,
 &end
#
# 21 LEU QB 22 THR H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 305, 306,
 &end
#
# 22 THR H 25 THR QG2 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 385, 386, 387,
 &end
#
# 21 LEU QQD 22 THR H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 21 LEU QQD 22 THR H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 310, 311, 312, 314, 315, 316,
 &end
#
# 20 ASN QD2 85 LEU QQD 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 296, 297,
 igr2=1346,1347,1348,1350,1351,1352,
 &end
#
# 20 ASN QD2 83 ARG QD 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 296, 297,
 igr2=1308,1309,
 &end
#
# 20 ASN HB2 20 ASN QD2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 296, 297,
 &end
#
# 20 ASN QD2 84 GLU HB2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 296, 297,
 &end
#
# 20 ASN QD2 83 ARG QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 296, 297,
 igr2=1302,1303,
 &end
#
# 20 ASN QD2 84 GLU HB3 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 296, 297,
 &end
#
# 20 ASN QD2 86 ARG H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1356, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 296, 297,
 &end
#
# 47 ARG HE 52 LYS HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 838, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 45 ILE QG2 47 ARG HE 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 714, 715, 716,
 &end
#
# 66 ARG H 66 ARG HE 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1089, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 66 ARG HA 66 ARG HE 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 66 ARG QB 66 ARG HE 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1080,1081,
 &end
#
# 66 ARG QG 66 ARG HE 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1083,1084,
 &end
#
# 51 THR H 51 THR HB 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 51 THR H 52 LYS HA 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 48 ASP QB 51 THR H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 769, 770,
 &end
#
# 50 TYR QB 51 THR H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 805, 806,
 &end
#
# 48 ASP QB 51 THR H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 769, 770,
 &end
#
# 51 THR H 51 THR QG2 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 828, 829, 830,
 &end
#
# 24 ARG HB3 24 ARG HE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 368, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 24 ARG HB2 24 ARG HE 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 368, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 86 ARG HA 86 ARG HE 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1369, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 20 ASN HB2 86 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 ARG HB2 86 ARG HE 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1369, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 3 TYR HA 4 GLY H 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  53, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 94 ARG QB 94 ARG HE 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1496,1497,
 &end
#
# 4 GLY H 5 ARG H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  60, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 3 TYR QD 4 GLY H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=  40,  49,
 &end
#
# 3 TYR QB 4 GLY H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=  36,  37,
 &end
#
# 3 TYR QB 4 GLY H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=  36,  37,
 &end
#
# 92 TYR QD 93 GLY H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1472,1481,
 &end
#
# 92 TYR HA 93 GLY H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 92 TYR QB 93 GLY H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1468,1469,
 &end
#
# 92 TYR QB 93 GLY H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1468,1469,
 &end
#
# 83 ARG HA 83 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 THR QG2 83 ARG HE 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 326, 327, 328,
 &end
#
# 83 ARG QB 83 ARG HE 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1302,1303,
 &end
#
# 93 GLY H 94 ARG QB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1496,1497,
 &end
#
# 55 ARG QB 55 ARG HE 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 888, 889,
 &end
#
# 31 ARG HA 31 ARG HE 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 476, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 31 ARG QB 31 ARG HE 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 467, 468,
 &end
#
# 31 ARG HE 43 VAL QQG 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 677, 678, 679, 681, 682, 683,
 &end
#
# 31 ARG QG 31 ARG HE 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 470, 471,
 &end
#
# 10 VAL HB 12 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 GLY H 13 MET QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 180, 181,
 &end
#
# 12 GLY H 13 MET H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 176, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 9 ASP HA 12 GLY H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 169, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 11 GLU QB 12 GLY H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 158, 159,
 &end
#
# 10 VAL QQG 12 GLY H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 144, 145, 146, 148, 149, 150,
 &end
#
# 11 GLU H 12 GLY H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 10 VAL HA 12 GLY H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 12 GLY H 13 MET QB 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 180, 181,
 &end
#
# 11 GLU QG 12 GLY H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 161, 162,
 &end
#
# 47 ARG QD 56 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
# 55 ARG QD 56 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 894, 895,
 &end
#
# 56 GLY H 57 PHE QD 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 923, 931,
 &end
#
# 54 SER QB 56 GLY H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 877, 878,
 &end
#
# 54 SER QB 56 GLY H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 877, 878,
 &end
#
# 55 ARG QB 56 GLY H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 888, 889,
 &end
#
# 17 LYS QG 18 VAL H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 244, 245,
 &end
#
# 19 ASP H 20 ASN H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 287, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 22 THR HB 25 THR H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 379, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 23 TYR HA 25 THR H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 379, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 39 ARG H 62 PHE QE 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1015,1019,
 &end
#
# 31 ARG H 60 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 67 ASP QB 68 ALA H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1104,1105,
 &end
#
# 67 ASP H 70 ASP H 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1137, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 86 ARG HB3 87 VAL H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1380, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 58 ALA H 59 PHE H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 945, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 41 GLY QA 63 HIS HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 654, 655,
 &end
#
# 63 HIS QB 63 HIS HE1 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1029,1030,
 &end
#
# 99 HIS QB 99 HIS HE1 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1571,1572,
 &end
#
# 92 TYR HA 92 TYR QD 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1472,1481,
 &end
#
# 50 TYR QD 51 THR H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 809, 818,
 &end
#
# 50 TYR H 50 TYR QD 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 809, 818,
 &end
#
# 50 TYR HA 50 TYR QD 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 809, 818,
 &end
#
# 3 TYR HA 3 TYR QD 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2=  40,  49,
 &end
#
# 2 SER HA 3 TYR QD 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  40,  49,
 &end
#
# 2 SER QB 3 TYR QD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=  25,  26,
 igr2=  40,  49,
 &end
#
# 34 PHE HA 37 TYR QD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 592, 601,
 &end
#
# 37 TYR QD 75 MET QE 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 592, 601,
 igr2=1209,1210,1211,
 &end
#
# 23 TYR QD 24 ARG QD 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 342, 351,
 igr2= 365, 366,
 &end
#
# 22 THR QG2 23 TYR QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 326, 327, 328,
 igr2= 342, 351,
 &end
#
# 23 TYR QD 24 ARG QG 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 342, 351,
 igr2= 362, 363,
 &end
#
# 23 TYR QD 24 ARG QG 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 342, 351,
 igr2= 362, 363,
 &end
#
# 20 ASN H 57 PHE QD 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 923, 931,
 &end
#
# 57 PHE HA 57 PHE QD 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 923, 931,
 &end
#
# 34 PHE QD 35 GLU H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 535, 543,
 &end
#
# 34 PHE HA 34 PHE QD 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 535, 543,
 &end
#
# 30 LEU HB3 34 PHE QD 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 535, 543,
 &end
#
# 39 ARG H 62 PHE QD 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1013,1021,
 &end
#
# 62 PHE QD 68 ALA H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1013,1021,
 &end
#
# 38 GLY QA 62 PHE QD 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 607, 608,
 igr2=1013,1021,
 &end
#
# 38 GLY QA 62 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= 607, 608,
 igr2=1013,1021,
 &end
#
# 62 PHE QD 67 ASP QB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1013,1021,
 igr2=1104,1105,
 &end
#
# 62 PHE QD 67 ASP QB 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1013,1021,
 igr2=1104,1105,
 &end
#
# 62 PHE QD 71 ALA QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1013,1021,
 igr2=1153,1154,1155,
 &end
#
# 16 LEU QQD 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= 227, 228, 229, 231, 232, 233,
 igr2=1013,1021,
 &end
#
# 40 VAL QQG 62 PHE QD 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 642, 643, 644, 646, 647, 648,
 igr2=1013,1021,
 &end
#
# 61 ARG HA 62 PHE QD 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1013,1021,
 &end
#
# 17 LYS HA 59 PHE QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 953, 961,
 &end
#
# 44 TYR H 44 TYR QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 695, 704,
 &end
#
# 38 GLY QA 62 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= 607, 608,
 igr2=1015,1019,
 &end
#
# 34 PHE HB3 62 PHE QE 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1015,1019,
 &end
#
# 62 PHE QE 67 ASP QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1015,1019,
 igr2=1104,1105,
 &end
#
# 17 LYS HB2 59 PHE QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 953, 961,
 &end
#
# 57 PHE QE 59 PHE QD 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 925, 929,
 igr2= 953, 961,
 &end
#
# 34 PHE QE 75 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 537, 541,
 &end
#
# 34 PHE QE 72 MET HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 537, 541,
 &end
#
# 18 VAL QG1 34 PHE QE 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 265, 266, 267,
 igr2= 537, 541,
 &end
#
# 34 PHE QD 62 PHE HZ 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 535, 543,
 &end
#
# 16 LEU QQD 62 PHE HZ 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 227, 228, 229, 231, 232, 233,
 &end
#
# 60 VAL QQG 62 PHE HZ 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 971, 972, 973, 975, 976, 977,
 &end
#
# 34 PHE QD 34 PHE HZ 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 535, 543,
 &end
#
# 18 VAL QG1 34 PHE HZ 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 265, 266, 267,
 &end
#
# 34 PHE HZ 60 VAL QQG 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr2= 971, 972, 973, 975, 976, 977,
 &end
#
# 63 HIS H 63 HIS HD2 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1038, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 62 PHE HA 63 HIS HD2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1038, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 41 GLY QA 63 HIS HD2 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 654, 655,
 &end
#
# 63 HIS QB 63 HIS HD2 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1029,1030,
 &end
#
# 39 ARG QD 63 HIS HD2 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 622, 623,
 &end
#
# 39 ARG QG 63 HIS HD2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 619, 620,
 &end
#
# 41 GLY H 63 HIS HD2 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,1038, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 100 HIS QB 100 HIS HD2 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1=1588,1589,
 &end
#
# 99 HIS QB 99 HIS HD2 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1571,1572,
 &end
#
# 37 TYR QE 75 MET QB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 594, 599,
 igr2=1202,1203,
 &end
#
# 49 ARG QB 50 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= 781, 782,
 igr2= 811, 816,
 &end
#
# 50 TYR QE 51 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 811, 816,
 igr2= 828, 829, 830,
 &end
#
# 49 ARG QG 50 TYR QE 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 784, 785,
 igr2= 811, 816,
 &end
#
# 91 ARG QB 92 TYR QE 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1444,1445,
 igr2=1474,1479,
 &end
#
# 44 TYR QE 46 PRO HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 697, 702,
 &end
#
# 18 VAL HB 62 PHE QE 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1015,1019,
 &end
#
# 21 LEU QQD 57 PHE QD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 310, 311, 312, 314, 315, 316,
 igr2= 923, 931,
 &end
#
# 30 LEU HB3 34 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 PHE HZ 71 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1153,1154,1155,
 &end
#
# 102 URA H1' 102 URA H2' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1636, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
      rk2=50, rk3=50, ir6=1, ialtd=0,
 &end
#
# 102 URA H1' 102 URA H3' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 URA H1' 102 URA H4' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1618, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102 URA H1' 102 URA Q5' 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1615,1616,
 &end
#
# 102 URA H1' 102 URA H5 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1626, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 102 URA H3' 102 URA H2' 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 102 URA H3' 102 URA H4' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1618, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102 URA H6 102 URA H1' 3.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1621, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 102 URA H6 102 URA H2' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1636, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102 URA H6 102 URA H3' 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1634, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 URA H6 102 URA H4' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1618, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 URA H6 102 URA Q5' 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1615,1616,
 &end
#
# 102 URA H6 102 URA H5 2.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1626, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 102 URA Q5' 102 URA H3' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1634, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1615,1616,
 &end
#
# 102 URA Q5' 102 URA H4' 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1618, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1615,1616,
 &end
#
# 103 RCYT H1' 103 RCYT H2' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1667, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 103 RCYT H1' 103 RCYT H3' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 RCYT H1' 103 RCYT H4' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 RCYT H1' 103 RCYT H6 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 RCYT H2' 103 RCYT H3' 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1667,1665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 RCYT H2' 103 RCYT H5 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1667,1656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 103 RCYT H2' 103 RCYT H6 3.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1667,1654, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 103 RCYT H3' 103 RCYT H6 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1665,1654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 RCYT H3' 103 RCYT Q5' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1645,1646,
 &end
#
# 103 RCYT H5 103 RCYT H6 2.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1656,1654, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 103 RCYT H1' 104 RCYT H5 3.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1687, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 103 RCYT H1' 104 RCYT H6 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 RCYT H1' 104 RCYT H2' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 RCYT H1' 104 RCYT H3' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RCYT H1' 104 RCYT H4' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1679, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RCYT H1' 104 RCYT Q5' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1676,1677,
 &end
#
# 104 RCYT H1' 104 RCYT H5 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RCYT H1' 104 RCYT H6 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RCYT H2' 104 RCYT H5 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1698,1687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 RCYT H2' 104 RCYT H6 3.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1698,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 104 RCYT H3' 104 RCYT H6 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 104 RCYT H3' 104 RCYT Q5' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1676,1677,
 &end
#
# 104 RCYT H4' 104 RCYT H6 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1679,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RCYT H4' 104 RCYT Q5' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1679,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1676,1677,
 &end
#
# 104 RCYT H5 104 RCYT H6 2.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1685, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 104 RCYT H3' 105 RADE H8 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 RCYT H2' 105 RADE H8 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1698,1716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 RCYT H3' 105 RADE H2' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 RADE H1' 105 RADE H2' 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1713,1731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 105 RADE H1' 105 RADE H3' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1713,1729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 RADE H1' 105 RADE H4' 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1713,1710, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 RADE H1' 105 RADE Q5' 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1713,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1707,1708,
 &end
#
# 105 RADE H1' 105 RADE H2 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1713,1725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 RADE H1' 105 RADE H8 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1713,1716, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 105 RADE H2' 105 RADE H4' 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1710, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 RADE H2' 105 RADE Q5' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1731,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1707,1708,
 &end
#
# 105 RADE H2' 105 RADE H8 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1716, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 105 RADE H3' 105 RADE H4' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1710, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 RADE H3' 105 RADE Q5' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1707,1708,
 &end
#
# 105 RADE H3' 105 RADE H8 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 RADE H4' 105 RADE H8 5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1710,1716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 RADE Q5' 105 RADE H8 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1707,1708,
 &end
#
# 105 RADE H2' 106 RGUA H8 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 RADE H3' 106 RGUA H8 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 RADE H4' 106 RGUA H8 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1710,1749, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 RGUA H1' 106 RGUA H2' 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1746,1765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 106 RGUA H1' 106 RGUA H3' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1746,1763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 RGUA H1' 106 RGUA H4' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1746,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 106 RGUA H1' 106 RGUA H8 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1746,1749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 RGUA H2' 106 RGUA H8 3.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1765,1749, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106 RGUA H3' 106 RGUA H8 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1763,1749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 106 RGUA H4' 106 RGUA H8 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1743,1749, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 URA H1' 107 URA H2' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1780,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 107 URA H1' 107 URA H3' 4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1780,1793, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 107 URA H1' 107 URA H6 3.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1780,1783, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107 URA H6 107 URA H2' 3.0 
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1795, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107 URA H6 107 URA H3' 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1793, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 107 URA H6 107 URA H5 2.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1785, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 56 GLY HA2 102 URA H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 910,1626, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 56 GLY HA3 102 URA H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,1626, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 PHE QD 102 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 931,
 &end
#
# 57 PHE QE 102 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 925, 929,
 &end
#
# 57 PHE QE 102 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 925, 929,
 &end
#
# 17 LYS QD 103 RCYT H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248,
 &end
#
# 17 LYS HE2 103 RCYT H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,1667, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 17 LYS HE2 103 RCYT H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,1665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LYS HE2 103 RCYT H4' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,1648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17 LYS HE2 103 RCYT Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1645,1646,
 &end
#
# 17 LYS HG2 103 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 17 LYS QD 103 RCYT H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 247, 248,
 &end
#
# 17 LYS HE2 103 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,1656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 17 LYS QD 103 RCYT H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 247, 248,
 &end
#
# 17 LYS HE2 103 RCYT H6 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,1654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 17 LYS HE3 103 RCYT H6 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 251,1654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 59 PHE QD 103 RCYT H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 961,
 &end
#
# 59 PHE QE 103 RCYT H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 959,
 &end
#
# 59 PHE QE 103 RCYT H4' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 955, 959,
 &end
#
# 59 PHE QE 103 RCYT Q5' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 955, 959,
 igr2=1645,1646,
 &end
#
# 90 ALA QB 103 RCYT H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1434,1435,1436,
 &end
#
# 91 ARG QG 103 RCYT H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1447,1448,
 &end
#
# 91 ARG QD 103 RCYT H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1450,1451,
 &end
#
# 91 ARG QG 103 RCYT H5 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1447,1448,
 &end
#
# 91 ARG QD 103 RCYT H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1450,1451,
 &end
#
# 92 TYR QB 103 RCYT H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1468,1469,
 &end
#
# 92 TYR QD 103 RCYT H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1472,1481,
 &end
#
# 92 TYR QE 103 RCYT H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1474,1479,
 &end
#
# 92 TYR QE 103 RCYT H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1474,1479,
 &end
#
# 44 TYR HA 104 RCYT H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 689,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 TYR QB 104 RCYT H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 691, 692,
 &end
#
# 44 TYR QD 104 RCYT H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 695, 704,
 &end
#
# 44 TYR QE 104 RCYT H1' 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 104 RCYT H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 104 RCYT H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 104 RCYT H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1679, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 697, 702,
 &end
#
# 46 PRO QB 104 RCYT H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 734, 735,
 &end
#
# 46 PRO QB 104 RCYT H4' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1679, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 734, 735,
 &end
#
# 46 PRO QG 104 RCYT H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 731, 732,
 &end
#
# 46 PRO QG 104 RCYT H4' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1679, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 731, 732,
 &end
#
# 59 PHE QD 104 RCYT H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 961,
 &end
#
# 59 PHE QE 104 RCYT H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 959,
 &end
#
# 59 PHE QE 104 RCYT Q5' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 955, 959,
 igr2=1676,1677,
 &end
#
# 59 PHE QD 104 RCYT H5 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 961,
 &end
#
# 59 PHE QE 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 955, 959,
 &end
#
# 90 ALA QB 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1434,1435,1436,
 &end
#
# 92 TYR HB2 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 92 TYR HB3 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1469,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 92 TYR QD 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1472,1481,
 &end
#
# 94 ARG QG 104 RCYT H2' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1499,1500,
 &end
#
# 94 ARG QG 104 RCYT H3' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1499,1500,
 &end
#
# 94 ARG QD 104 RCYT H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1502,1503,
 &end
#
# 94 ARG QD 104 RCYT H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1502,1503,
 &end
#
# 95 PRO QG 104 RCYT H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1520,1521,
 &end
#
# 95 PRO QG 104 RCYT H2' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1520,1521,
 &end
#
# 95 PRO QG 104 RCYT H3' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1520,1521,
 &end
#
# 95 PRO QG 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1520,1521,
 &end
#
# 95 PRO QG 104 RCYT H6 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1520,1521,
 &end
#
# 95 PRO HD2 104 RCYT H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 PRO HD3 104 RCYT H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 PRO HD2 104 RCYT H2' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 95 PRO HD3 104 RCYT H2' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 95 PRO HD2 104 RCYT H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 95 PRO HD3 104 RCYT H3' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1696, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 95 PRO HD2 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 95 PRO HD3 104 RCYT H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 95 PRO HD2 104 RCYT H6 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 95 PRO HD3 104 RCYT H6 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 46 PRO QG 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
# 48 ASP HA 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,1725, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 48 ASP QB 105 RADE H2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
# 49 ARG QB 105 RADE H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1713, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 781, 782,
 &end
#
# 49 ARG QB 105 RADE H2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 781, 782,
 &end
#
# 49 ARG QB 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 781, 782,
 &end
#
# 49 ARG QD 105 RADE H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1713, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 787, 788,
 &end
#
# 49 ARG QD 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
# 49 ARG QD 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 787, 788,
 &end
#
# 50 TYR QE 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 816,
 &end
#
# 95 PRO QG 105 RADE H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1713, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1520,1521,
 &end
#
# 95 PRO QG 105 RADE H8 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1520,1521,
 &end
#
# 98 SER QB 105 RADE H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1713, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
# 98 SER QB 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
# 98 SER QB 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1560,1561,
 &end
#
# 99 HIS QB 105 RADE H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1713, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1571,1572,
 &end
#
# 99 HIS QB 105 RADE H2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1571,1572,
 &end
#
# 99 HIS QB 105 RADE H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1571,1572,
 &end
#
# 44 TYR QD 106 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1746, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 695, 704,
 &end
#
# 44 TYR QE 106 RGUA H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1746, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 697, 702,
 &end
#
# 44 TYR QE 106 RGUA H8 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 697, 702,
 &end
#
# 3 TYR HB2 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  36,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3 TYR HB3 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  37,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4 GLY QA 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
# 5 ARG HA 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5 ARG QB 106 RGUA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1746, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  64,  65,
 &end
#
# 6 PRO QD 106 RGUA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
# 4 GLY QA 107 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  55,  56,
 &end
#
# 4 GLY QA 107 URA H2' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
# 4 GLY QA 107 URA H3' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1793, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
# 4 GLY QA 107 URA H6 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
# 5 ARG QG 107 URA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
# 5 ARG QG 107 URA H2' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
# 5 ARG QG 107 URA H3' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1793, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  67,  68,
 &end
#
# 5 ARG QG 107 URA H6 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  67,  68,
 &end
#
# 5 ARG QD 107 URA H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  70,  71,
 &end
#
# 5 ARG QD 107 URA H2' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  70,  71,
 &end
#
# 5 ARG QD 107 URA H3' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1793, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  70,  71,
 &end
#
# 5 ARG QD 107 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  70,  71,
 &end
#
# 3 TYR QD 43 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  40,  49,
 igr2= 677, 678, 679,
 &end
#
# 3 TYR QE 40 VAL QG2 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  42,  47,
 igr2= 646, 647, 648,
 &end
#
# 3 TYR QE 43 VAL QG1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  42,  47,
 igr2= 677, 678, 679,
 &end
#
# 4 GLY QA 43 VAL QG1 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  55,  56,
 igr2= 677, 678, 679,
 &end
#
# 31 ARG QB 3 TYR QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 467, 468,
 igr2=  40,  49,
 &end
#
# 31 ARG QB 3 TYR QE 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 467, 468,
 igr2=  42,  47,
 &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
#
# 91 ARG H 103 RCYT N3 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1661, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 91 ARG N 103 RCYT N3 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1661, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 42 ASP OD1 106 RGUA H1 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1755, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 42 ASP OD1 106 RGUA N1 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 666,1754, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 61 ARG NH2 104 RCYT O2 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1694, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 61 ARG QH2 104 RCYT O2 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr1=1000,1001,
 &end
#
# 61 ARG NH1 104 RCYT N3 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1692, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 61 ARG QH1 104 RCYT N3 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1692, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
 igr1= 997, 998,
 &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
#
#  chirality for residue 102 atoms:  C2' O4' N1 H1'
 &rst iat=1635,1619,1622,1621, &end
#
#  chirality for residue 102 atoms:  C3' C1' H2'1 O2'
 &rst iat=1633,1620,1636,1637, &end
#
#  chirality for residue 102 atoms:  O3' C2' C4' H3'
 &rst iat=1639,1635,1617,1634, &end
#
#  chirality for residue 102 atoms:  C3' C5' O4' H4'
 &rst iat=1633,1614,1619,1618, &end
#
#  chirality for residue 102 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1617,1613,1615,1616, &end
#
#  chirality for residue 103 atoms:  C2' O4' N1 H1'
 &rst iat=1666,1649,1652,1651, &end
#
#  chirality for residue 103 atoms:  C3' C1' H2'1 O2'
 &rst iat=1664,1650,1667,1668, &end
#
#  chirality for residue 103 atoms:  O3' C2' C4' H3'
 &rst iat=1670,1666,1647,1665, &end
#
#  chirality for residue 103 atoms:  C3' C5' O4' H4'
 &rst iat=1664,1644,1649,1648, &end
#
#  chirality for residue 103 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1647,1643,1645,1646, &end
#
#  chirality for residue 104 atoms:  C2' O4' N1 H1'
 &rst iat=1697,1680,1683,1682, &end
#
#  chirality for residue 104 atoms:  C3' C1' H2'1 O2'
 &rst iat=1695,1681,1698,1699, &end
#
#  chirality for residue 104 atoms:  O3' C2' C4' H3'
 &rst iat=1701,1697,1678,1696, &end
#
#  chirality for residue 104 atoms:  C3' C5' O4' H4'
 &rst iat=1695,1675,1680,1679, &end
#
#  chirality for residue 104 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1678,1674,1676,1677, &end
#
#  chirality for residue 105 atoms:  C2' O4' N9 H1'
 &rst iat=1730,1711,1714,1713, &end
#
#  chirality for residue 105 atoms:  C3' C1' H2'1 O2'
 &rst iat=1728,1712,1731,1732, &end
#
#  chirality for residue 105 atoms:  O3' C2' C4' H3'
 &rst iat=1734,1730,1709,1729, &end
#
#  chirality for residue 105 atoms:  C3' C5' O4' H4'
 &rst iat=1728,1706,1711,1710, &end
#
#  chirality for residue 105 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1709,1705,1707,1708, &end
#
#  chirality for residue 106 atoms:  C2' O4' N9 H1'
 &rst iat=1764,1744,1747,1746, &end
#
#  chirality for residue 106 atoms:  C3' C1' H2'1 O2'
 &rst iat=1762,1745,1765,1766, &end
#
#  chirality for residue 106 atoms:  O3' C2' C4' H3'
 &rst iat=1768,1764,1742,1763, &end
#
#  chirality for residue 106 atoms:  C3' C5' O4' H4'
 &rst iat=1762,1739,1744,1743, &end
#
#  chirality for residue 106 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1742,1738,1740,1741, &end
#
#  chirality for residue 107 atoms:  C2' O4' N1 H1'
 &rst iat=1794,1778,1781,1780, &end
#
#  chirality for residue 107 atoms:  C3' C1' H2'1 O2'
 &rst iat=1792,1779,1795,1796, &end
#
#  chirality for residue 107 atoms:  O3' C2' C4' H3'
 &rst iat=1798,1794,1776,1793, &end
#
#  chirality for residue 107 atoms:  C3' C5' O4' H4'
 &rst iat=1792,1773,1778,1777, &end
#
#  chirality for residue 107 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1776,1772,1774,1775, &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  -9.868  19.269   8.078
    2    HA   MET   1           HA       MET   1  -8.845  18.479  10.065
    3    HB2  MET   1           HB2      MET   1 -10.455  16.689  10.548
    4    HB3  MET   1           HB3      MET   1  -9.888  15.775   9.142
    5    HG2  MET   1           HG2      MET   1  -7.636  15.631  10.144
    6    HG3  MET   1           HG3      MET   1  -8.193  16.558  11.543
    7    HE1  MET   1           HE1      MET   1  -6.674  13.666  11.452
    8    HE2  MET   1           HE2      MET   1  -7.025  14.578  12.935
    9    HE3  MET   1           HE3      MET   1  -7.502  12.870  12.815
   10    H    SER   2           H        SER   2  -8.557  15.805   7.703
   11    HA   SER   2           HA       SER   2  -6.250  17.011   6.381
   12    HB2  SER   2           HB2      SER   2  -5.361  16.178   8.586
   13    HB3  SER   2           HB3      SER   2  -5.882  14.543   8.130
   14    HG   SER   2           HG       SER   2  -3.689  14.962   7.593
   15    H    TYR   3           H        TYR   3  -5.188  15.003   5.051
   16    HA   TYR   3           HA       TYR   3  -5.522  13.683   3.221
   17    HB2  TYR   3           HB2      TYR   3  -7.558  12.405   5.068
   18    HB3  TYR   3           HB3      TYR   3  -6.883  11.652   3.644
   19    HD1  TYR   3           HD2      TYR   3  -4.158  11.504   3.628
   20    HD2  TYR   3           HD1      TYR   3  -6.636  12.017   7.119
   21    HE1  TYR   3           HE2      TYR   3  -2.378  10.543   5.028
   22    HE2  TYR   3           HE1      TYR   3  -4.826  11.068   8.537
   23    HH   TYR   3           HH       TYR   3  -2.749  10.187   8.590
   24    H    GLY   4           H        GLY   4  -7.717  12.348   2.212
   25    HA2  GLY   4           HA2      GLY   4  -9.916  14.289   1.878
   26    HA3  GLY   4           HA3      GLY   4  -9.077  13.698   0.419
   27    H    ARG   5           H        ARG   5 -11.905  13.249   1.317
   28    HA   ARG   5           HA       ARG   5 -12.164  10.662   2.448
   29    HB2  ARG   5           HB2      ARG   5 -14.023  12.411   0.810
   30    HB3  ARG   5           HB3      ARG   5 -14.537  10.901   1.601
   31    HG2  ARG   5           HG2      ARG   5 -14.004  11.750   3.776
   32    HG3  ARG   5           HG3      ARG   5 -13.237  13.209   3.097
   33    HD2  ARG   5           HD2      ARG   5 -15.319  14.030   2.248
   34    HD3  ARG   5           HD3      ARG   5 -16.166  12.521   2.669
   35    HE   ARG   5           HE       ARG   5 -14.939  13.668   4.996
   36   HH11  ARG   5          HH11      ARG   5 -17.701  14.080   2.840
   37   HH12  ARG   5          HH12      ARG   5 -18.668  14.901   4.051
   38   HH21  ARG   5          HH21      ARG   5 -16.180  14.778   6.524
   39   HH22  ARG   5          HH22      ARG   5 -17.820  15.259   6.146
   40    HA   PRO   6           HA       PRO   6 -11.506   7.761  -0.775
   41    HB2  PRO   6           HB2      PRO   6 -14.259   6.775  -0.001
   42    HB3  PRO   6           HB3      PRO   6 -12.767   5.819  -0.270
   43    HG2  PRO   6           HG2      PRO   6 -13.554   6.390   2.260
   44    HG3  PRO   6           HG3      PRO   6 -11.832   6.589   1.803
   45    HD2  PRO   6           HD2      PRO   6 -13.942   8.749   2.053
   46    HD3  PRO   6           HD3      PRO   6 -12.238   8.763   2.587
   47    HA   PRO   7           HA       PRO   7 -13.701   9.390  -4.258
   48    HB2  PRO   7           HB2      PRO   7 -13.022   7.625  -6.218
   49    HB3  PRO   7           HB3      PRO   7 -11.808   8.675  -5.424
   50    HG2  PRO   7           HG2      PRO   7 -12.487   5.800  -4.742
   51    HG3  PRO   7           HG3      PRO   7 -10.864   6.501  -5.055
   52    HD2  PRO   7           HD2      PRO   7 -11.834   6.200  -2.522
   53    HD3  PRO   7           HD3      PRO   7 -10.853   7.629  -2.984
   54    HA   PRO   8           HA       PRO   8 -17.558   7.206  -4.695
   55    HB2  PRO   8           HB2      PRO   8 -18.564   8.298  -6.974
   56    HB3  PRO   8           HB3      PRO   8 -18.231   9.298  -5.530
   57    HG2  PRO   8           HG2      PRO   8 -16.415   8.872  -7.930
   58    HG3  PRO   8           HG3      PRO   8 -16.946  10.432  -7.214
   59    HD2  PRO   8           HD2      PRO   8 -14.563   9.266  -6.549
   60    HD3  PRO   8           HD3      PRO   8 -15.546  10.149  -5.335
   61    H    ASP   9           H        ASP   9 -15.299   5.600  -5.448
   62    HA   ASP   9           HA       ASP   9 -16.320   4.209  -7.877
   63    HB2  ASP   9           HB2      ASP   9 -14.343   5.678  -8.346
   64    HB3  ASP   9           HB3      ASP   9 -13.407   4.728  -7.191
   65    H    VAL  10           H        VAL  10 -16.325   3.840  -4.756
   66    HA   VAL  10           HA       VAL  10 -14.812   1.533  -4.137
   67    HB   VAL  10           HB       VAL  10 -16.426   1.256  -2.276
   68   HG11  VAL  10          HG11      VAL  10 -14.569   2.857  -2.075
   69   HG12  VAL  10          HG12      VAL  10 -15.576   4.140  -2.782
   70   HG13  VAL  10          HG13      VAL  10 -16.009   3.437  -1.212
   71   HG21  VAL  10          HG21      VAL  10 -18.268   2.858  -2.001
   72   HG22  VAL  10          HG22      VAL  10 -17.919   3.570  -3.586
   73   HG23  VAL  10          HG23      VAL  10 -18.498   1.893  -3.472
   74    H    GLU  11           H        GLU  11 -17.386   1.792  -6.355
   75    HA   GLU  11           HA       GLU  11 -18.588  -0.798  -5.902
   76    HB2  GLU  11           HB2      GLU  11 -18.651   1.035  -8.338
   77    HB3  GLU  11           HB3      GLU  11 -19.716  -0.348  -8.035
   78    HG2  GLU  11           HG2      GLU  11 -20.512   0.756  -5.946
   79    HG3  GLU  11           HG3      GLU  11 -19.510   2.166  -6.329
   80    H    GLY  12           H        GLY  12 -15.579   0.107  -7.150
   81    HA2  GLY  12           HA2      GLY  12 -15.138  -2.589  -8.221
   82    HA3  GLY  12           HA3      GLY  12 -15.001  -1.271  -9.406
   83    H    MET  13           H        MET  13 -14.124  -0.330  -6.231
   84    HA   MET  13           HA       MET  13 -11.454   0.318  -6.902
   85    HB2  MET  13           HB2      MET  13 -12.872   1.390  -5.182
   86    HB3  MET  13           HB3      MET  13 -12.801  -0.084  -4.196
   87    HG2  MET  13           HG2      MET  13 -10.333   0.171  -4.058
   88    HG3  MET  13           HG3      MET  13 -10.451   1.680  -4.973
   89    HE1  MET  13           HE1      MET  13 -13.028   3.093  -3.830
   90    HE2  MET  13           HE2      MET  13 -12.296   4.084  -2.549
   91    HE3  MET  13           HE3      MET  13 -11.462   3.879  -4.108
   92    H    THR  14           H        THR  14  -9.491  -0.695  -6.530
   93    HA   THR  14           HA       THR  14  -9.483  -3.579  -6.193
   94    HB   THR  14           HB       THR  14  -7.205  -1.558  -6.230
   95   HG21  THR  14          HG21      THR  14  -5.823  -3.524  -6.858
   96   HG22  THR  14          HG22      THR  14  -6.496  -3.691  -5.226
   97   HG23  THR  14          HG23      THR  14  -7.225  -4.587  -6.585
   98    H    SER  15           H        SER  15  -8.928  -0.771  -4.133
   99    HA   SER  15           HA       SER  15  -8.789  -0.516  -1.907
  100    HB2  SER  15           HB2      SER  15 -10.223  -3.195  -1.850
  101    HB3  SER  15           HB3      SER  15 -10.149  -2.004  -0.530
  102    HG   SER  15           HG       SER  15 -12.058  -1.814  -1.790
  103    H    LEU  16           H        LEU  16  -6.361  -1.535  -2.993
  104    HA   LEU  16           HA       LEU  16  -5.343  -3.630  -1.264
  105    HB2  LEU  16           HB2      LEU  16  -4.295  -2.795  -3.449
  106    HB3  LEU  16           HB3      LEU  16  -3.854  -1.311  -2.569
  107    HG   LEU  16           HG       LEU  16  -2.637  -2.853  -0.890
  108   HD11  LEU  16          HD11      LEU  16  -2.845  -4.762  -3.260
  109   HD12  LEU  16          HD12      LEU  16  -1.926  -5.029  -1.769
  110   HD13  LEU  16          HD13      LEU  16  -3.710  -4.978  -1.717
  111   HD21  LEU  16          HD21      LEU  16  -0.657  -3.044  -2.389
  112   HD22  LEU  16          HD22      LEU  16  -1.705  -2.677  -3.775
  113   HD23  LEU  16          HD23      LEU  16  -1.441  -1.450  -2.502
  114    H    LYS  17           H        LYS  17  -4.358  -3.347   0.855
  115    HA   LYS  17           HA       LYS  17  -4.091  -0.512   1.640
  116    HB2  LYS  17           HB2      LYS  17  -4.890  -0.792   3.759
  117    HB3  LYS  17           HB3      LYS  17  -6.048  -1.698   2.771
  118    HG2  LYS  17           HG2      LYS  17  -5.049  -3.822   3.548
  119    HG3  LYS  17           HG3      LYS  17  -3.751  -2.912   4.372
  120    HD2  LYS  17           HD2      LYS  17  -5.528  -1.714   5.710
  121    HD3  LYS  17           HD3      LYS  17  -6.730  -2.780   4.965
  122    HE2  LYS  17           HE2      LYS  17  -6.171  -3.638   7.135
  123    HE3  LYS  17           HE3      LYS  17  -5.527  -4.749   5.916
  124    HZ1  LYS  17           HZ1      LYS  17  -3.996  -2.706   7.393
  125    HZ2  LYS  17           HZ2      LYS  17  -3.965  -4.309   7.674
  126    HZ3  LYS  17           HZ3      LYS  17  -3.352  -3.725   6.267
  127    H    VAL  18           H        VAL  18  -2.545  -0.197   3.534
  128    HA   VAL  18           HA       VAL  18  -0.267  -2.117   3.474
  129    HB   VAL  18           HB       VAL  18  -0.188   0.886   3.057
  130   HG11  VAL  18          HG11      VAL  18   2.079  -1.132   3.091
  131   HG12  VAL  18          HG12      VAL  18   2.215   0.621   2.759
  132   HG13  VAL  18          HG13      VAL  18   1.718   0.070   4.361
  133   HG21  VAL  18          HG21      VAL  18   0.557  -1.324   1.100
  134   HG22  VAL  18          HG22      VAL  18  -0.907  -0.311   0.997
  135   HG23  VAL  18          HG23      VAL  18   0.700   0.423   0.816
  136    H    ASP  19           H        ASP  19   0.807  -2.232   5.395
  137    HA   ASP  19           HA       ASP  19   0.402  -0.344   7.601
  138    HB2  ASP  19           HB2      ASP  19  -0.602  -2.064   9.054
  139    HB3  ASP  19           HB3      ASP  19  -1.656  -1.664   7.688
  140    H    ASN  20           H        ASN  20   1.356  -1.514   9.661
  141    HA   ASN  20           HA       ASN  20   2.805  -2.835  10.767
  142    HB2  ASN  20           HB2      ASN  20   2.819  -4.313   8.492
  143    HB3  ASN  20           HB3      ASN  20   4.470  -3.693   8.467
  144   HD21  ASN  20          HD22      ASN  20   5.966  -4.533   9.907
  145   HD22  ASN  20          HD21      ASN  20   5.590  -5.769  11.094
  146    H    LEU  21           H        LEU  21   3.422  -0.153   8.955
  147    HA   LEU  21           HA       LEU  21   6.206   0.275   9.158
  148    HB2  LEU  21           HB2      LEU  21   5.516   2.707   9.164
  149    HB3  LEU  21           HB3      LEU  21   4.840   1.739   7.844
  150    HG   LEU  21           HG       LEU  21   3.122   1.651  10.228
  151   HD11  LEU  21          HD11      LEU  21   3.695   4.355   8.981
  152   HD12  LEU  21          HD12      LEU  21   2.308   3.980  10.031
  153   HD13  LEU  21          HD13      LEU  21   3.968   3.857  10.671
  154   HD21  LEU  21          HD21      LEU  21   2.534   0.923   7.915
  155   HD22  LEU  21          HD22      LEU  21   1.428   2.150   8.548
  156   HD23  LEU  21          HD23      LEU  21   2.684   2.603   7.364
  157    H    THR  22           H        THR  22   6.912   2.352  10.625
  158    HA   THR  22           HA       THR  22   6.775   1.179  13.325
  159    HB   THR  22           HB       THR  22   8.759   2.396  13.820
  160   HG21  THR  22          HG21      THR  22   8.960   1.553  10.908
  161   HG22  THR  22          HG22      THR  22  10.315   1.814  12.029
  162   HG23  THR  22          HG23      THR  22   9.165   0.497  12.335
  163    H    TYR  23           H        TYR  23   6.912   2.723  15.200
  164    HA   TYR  23           HA       TYR  23   4.639   4.506  15.182
  165    HB2  TYR  23           HB2      TYR  23   5.182   4.811  17.526
  166    HB3  TYR  23           HB3      TYR  23   5.269   3.102  17.104
  167    HD1  TYR  23           HD1      TYR  23   7.456   1.938  16.925
  168    HD2  TYR  23           HD2      TYR  23   7.142   6.013  18.260
  169    HE1  TYR  23           HE1      TYR  23   9.760   1.805  17.835
  170    HE2  TYR  23           HE2      TYR  23   9.450   5.884  19.184
  171    HH   TYR  23           HH       TYR  23  11.437   2.919  18.933
  172    H    ARG  24           H        ARG  24   7.494   4.998  13.720
  173    HA   ARG  24           HA       ARG  24   7.666   7.878  14.493
  174    HB2  ARG  24           HB2      ARG  24   9.857   5.958  13.629
  175    HB3  ARG  24           HB3      ARG  24  10.090   7.692  13.880
  176    HG2  ARG  24           HG2      ARG  24   9.282   5.650  15.993
  177    HG3  ARG  24           HG3      ARG  24  10.866   6.412  15.818
  178    HD2  ARG  24           HD2      ARG  24   8.257   7.854  16.412
  179    HD3  ARG  24           HD3      ARG  24   9.533   7.488  17.591
  180    HE   ARG  24           HE       ARG  24  10.819   8.919  15.578
  181   HH11  ARG  24          HH11      ARG  24   8.104   9.504  17.766
  182   HH12  ARG  24          HH12      ARG  24   8.365  11.236  17.802
  183   HH21  ARG  24          HH21      ARG  24  11.133  11.181  15.655
  184   HH22  ARG  24          HH22      ARG  24  10.061  12.178  16.607
  185    H    THR  25           H        THR  25   7.040   5.609  11.986
  186    HA   THR  25           HA       THR  25   7.745   7.195   9.701
  187    HB   THR  25           HB       THR  25   5.487   5.188  10.033
  188   HG21  THR  25          HG21      THR  25   7.165   6.077   7.645
  189   HG22  THR  25          HG22      THR  25   6.114   4.644   7.650
  190   HG23  THR  25          HG23      THR  25   5.401   6.258   7.848
  191    H    SER  26           H        SER  26   6.016   8.203   8.251
  192    HA   SER  26           HA       SER  26   3.739   9.363   9.746
  193    HB2  SER  26           HB2      SER  26   5.966  10.955   8.409
  194    HB3  SER  26           HB3      SER  26   4.412  11.656   8.887
  195    HG   SER  26           HG       SER  26   6.029  11.870  10.506
  196    HA   PRO  27           HA       PRO  27   1.650   8.645   6.058
  197    HB2  PRO  27           HB2      PRO  27  -0.225  10.625   5.885
  198    HB3  PRO  27           HB3      PRO  27  -0.226   9.354   7.157
  199    HG2  PRO  27           HG2      PRO  27   0.864  12.183   7.334
  200    HG3  PRO  27           HG3      PRO  27  -0.218  11.337   8.498
  201    HD2  PRO  27           HD2      PRO  27   2.470  11.505   8.850
  202    HD3  PRO  27           HD3      PRO  27   1.559  10.039   9.327
  203    H    ASP  28           H        ASP  28   3.184  11.867   6.234
  204    HA   ASP  28           HA       ASP  28   2.746  12.491   3.439
  205    HB2  ASP  28           HB2      ASP  28   3.364  14.191   5.150
  206    HB3  ASP  28           HB3      ASP  28   4.928  13.386   5.365
  207    H    THR  29           H        THR  29   4.954  10.515   5.300
  208    HA   THR  29           HA       THR  29   7.014  10.289   3.286
  209    HB   THR  29           HB       THR  29   6.543   8.066   5.239
  210   HG21  THR  29          HG21      THR  29   8.945   9.769   4.509
  211   HG22  THR  29          HG22      THR  29   8.959   8.328   5.564
  212   HG23  THR  29          HG23      THR  29   8.552   8.168   3.832
  213    H    LEU  30           H        LEU  30   4.373   8.128   4.464
  214    HA   LEU  30           HA       LEU  30   4.882   6.125   2.502
  215    HB2  LEU  30           HB2      LEU  30   2.317   6.685   4.032
  216    HB3  LEU  30           HB3      LEU  30   2.782   5.169   3.228
  217    HG   LEU  30           HG       LEU  30   4.357   6.426   5.514
  218   HD11  LEU  30          HD11      LEU  30   3.306   4.687   6.909
  219   HD12  LEU  30          HD12      LEU  30   2.083   5.775   6.218
  220   HD13  LEU  30          HD13      LEU  30   2.323   4.160   5.518
  221   HD21  LEU  30          HD21      LEU  30   5.373   4.159   5.631
  222   HD22  LEU  30          HD22      LEU  30   4.426   3.670   4.211
  223   HD23  LEU  30          HD23      LEU  30   5.684   4.921   4.059
  224    H    ARG  31           H        ARG  31   2.909   9.066   2.484
  225    HA   ARG  31           HA       ARG  31   1.270   8.401   0.216
  226    HB2  ARG  31           HB2      ARG  31   0.606  10.294   1.531
  227    HB3  ARG  31           HB3      ARG  31   2.238  10.969   1.507
  228    HG2  ARG  31           HG2      ARG  31   0.790  12.287   0.063
  229    HG3  ARG  31           HG3      ARG  31   2.021  11.457  -0.899
  230    HD2  ARG  31           HD2      ARG  31   0.242   9.626  -1.276
  231    HD3  ARG  31           HD3      ARG  31  -0.928  10.786  -0.634
  232    HE   ARG  31           HE       ARG  31   0.667  11.043  -3.142
  233   HH11  ARG  31          HH11      ARG  31  -1.907  12.330  -1.065
  234   HH12  ARG  31          HH12      ARG  31  -2.487  13.416  -2.302
  235   HH21  ARG  31          HH21      ARG  31  -0.092  12.442  -4.684
  236   HH22  ARG  31          HH22      ARG  31  -1.471  13.478  -4.369
  237    H    ARG  32           H        ARG  32   4.485   9.924   0.486
  238    HA   ARG  32           HA       ARG  32   4.703  10.230  -2.424
  239    HB2  ARG  32           HB2      ARG  32   5.626  11.846  -0.805
  240    HB3  ARG  32           HB3      ARG  32   6.647  10.584  -0.098
  241    HG2  ARG  32           HG2      ARG  32   7.832  10.341  -2.273
  242    HG3  ARG  32           HG3      ARG  32   6.850  11.679  -2.935
  243    HD2  ARG  32           HD2      ARG  32   8.680  11.814  -0.499
  244    HD3  ARG  32           HD3      ARG  32   9.087  12.432  -2.105
  245    HE   ARG  32           HE       ARG  32   7.485  14.180  -1.870
  246   HH11  ARG  32          HH11      ARG  32   7.812  12.238   1.087
  247   HH12  ARG  32          HH12      ARG  32   6.978  13.431   2.065
  248   HH21  ARG  32          HH21      ARG  32   6.466  15.702  -0.525
  249   HH22  ARG  32          HH22      ARG  32   6.245  15.351   1.178
  250    H    VAL  33           H        VAL  33   6.037   8.123   0.101
  251    HA   VAL  33           HA       VAL  33   7.894   6.651  -1.444
  252    HB   VAL  33           HB       VAL  33   6.260   6.110   1.041
  253   HG11  VAL  33          HG11      VAL  33   6.602   3.919   0.029
  254   HG12  VAL  33          HG12      VAL  33   8.343   4.256  -0.160
  255   HG13  VAL  33          HG13      VAL  33   7.618   4.119   1.465
  256   HG21  VAL  33          HG21      VAL  33   8.153   7.750   1.093
  257   HG22  VAL  33          HG22      VAL  33   8.395   6.345   2.157
  258   HG23  VAL  33          HG23      VAL  33   9.253   6.439   0.595
  259    H    PHE  34           H        PHE  34   4.350   6.317  -1.125
  260    HA   PHE  34           HA       PHE  34   4.479   3.803  -2.695
  261    HB2  PHE  34           HB2      PHE  34   2.432   5.101  -0.918
  262    HB3  PHE  34           HB3      PHE  34   1.957   3.883  -2.093
  263    HD1  PHE  34           HD2      PHE  34   4.270   4.431   0.816
  264    HD2  PHE  34           HD1      PHE  34   2.246   1.586  -1.691
  265    HE1  PHE  34           HE2      PHE  34   4.968   2.588   2.329
  266    HE2  PHE  34           HE1      PHE  34   2.898  -0.243  -0.146
  267    HZ   PHE  34           HZ       PHE  34   4.300   0.257   1.841
  268    H    GLU  35           H        GLU  35   3.951   7.135  -3.124
  269    HA   GLU  35           HA       GLU  35   1.951   7.095  -5.167
  270    HB2  GLU  35           HB2      GLU  35   2.608   9.132  -3.971
  271    HB3  GLU  35           HB3      GLU  35   4.231   9.069  -4.684
  272    HG2  GLU  35           HG2      GLU  35   3.347   9.519  -6.865
  273    HG3  GLU  35           HG3      GLU  35   1.680   9.245  -6.318
  274    H    LYS  36           H        LYS  36   5.361   6.272  -5.202
  275    HA   LYS  36           HA       LYS  36   5.774   6.722  -8.027
  276    HB2  LYS  36           HB2      LYS  36   7.938   5.780  -7.628
  277    HB3  LYS  36           HB3      LYS  36   7.494   6.726  -6.187
  278    HG2  LYS  36           HG2      LYS  36   6.795   4.652  -5.036
  279    HG3  LYS  36           HG3      LYS  36   7.278   3.697  -6.450
  280    HD2  LYS  36           HD2      LYS  36   9.049   3.618  -4.780
  281    HD3  LYS  36           HD3      LYS  36   9.608   4.496  -6.215
  282    HE2  LYS  36           HE2      LYS  36   9.169   6.647  -5.076
  283    HE3  LYS  36           HE3      LYS  36   8.554   5.767  -3.656
  284    HZ1  LYS  36           HZ1      LYS  36  10.842   6.424  -3.374
  285    HZ2  LYS  36           HZ2      LYS  36  10.743   4.785  -3.422
  286    HZ3  LYS  36           HZ3      LYS  36  11.291   5.621  -4.728
  287    H    TYR  37           H        TYR  37   4.410   4.149  -6.137
  288    HA   TYR  37           HA       TYR  37   4.887   2.059  -8.087
  289    HB2  TYR  37           HB2      TYR  37   3.017   2.272  -5.701
  290    HB3  TYR  37           HB3      TYR  37   3.209   0.814  -6.679
  291    HD1  TYR  37           HD1      TYR  37   5.035   3.190  -4.484
  292    HD2  TYR  37           HD2      TYR  37   5.051  -0.654  -6.399
  293    HE1  TYR  37           HE1      TYR  37   7.106   2.607  -3.256
  294    HE2  TYR  37           HE2      TYR  37   7.120  -1.259  -5.171
  295    HH   TYR  37           HH       TYR  37   8.729   1.012  -2.914
  296    H    GLY  38           H        GLY  38   2.616   4.682  -7.870
  297    HA2  GLY  38           HA2      GLY  38   1.932   4.722 -10.442
  298    HA3  GLY  38           HA3      GLY  38   0.901   3.385  -9.917
  299    H    ARG  39           H        ARG  39  -0.321   3.981  -7.701
  300    HA   ARG  39           HA       ARG  39  -1.223   6.761  -7.689
  301    HB2  ARG  39           HB2      ARG  39  -3.493   6.377  -8.301
  302    HB3  ARG  39           HB3      ARG  39  -2.456   5.766  -9.588
  303    HG2  ARG  39           HG2      ARG  39  -2.778   3.430  -8.521
  304    HG3  ARG  39           HG3      ARG  39  -4.086   4.186  -7.576
  305    HD2  ARG  39           HD2      ARG  39  -5.146   3.276  -9.471
  306    HD3  ARG  39           HD3      ARG  39  -5.044   5.025  -9.770
  307    HE   ARG  39           HE       ARG  39  -2.833   3.397 -10.830
  308   HH11  ARG  39          HH11      ARG  39  -5.947   4.921 -11.535
  309   HH12  ARG  39          HH12      ARG  39  -5.691   4.883 -13.265
  310   HH21  ARG  39          HH21      ARG  39  -2.537   3.355 -13.050
  311   HH22  ARG  39          HH22      ARG  39  -3.756   4.004 -14.125
  312    H    VAL  40           H        VAL  40  -0.582   6.891  -5.618
  313    HA   VAL  40           HA       VAL  40  -1.735   5.249  -3.524
  314    HB   VAL  40           HB       VAL  40   0.377   6.324  -3.237
  315   HG11  VAL  40          HG11      VAL  40   0.672   8.737  -3.078
  316   HG12  VAL  40          HG12      VAL  40   0.020   8.321  -4.670
  317   HG13  VAL  40          HG13      VAL  40  -1.045   9.014  -3.427
  318   HG21  VAL  40          HG21      VAL  40  -1.172   5.982  -1.271
  319   HG22  VAL  40          HG22      VAL  40   0.086   7.221  -1.031
  320   HG23  VAL  40          HG23      VAL  40  -1.583   7.703  -1.356
  321    H    GLY  41           H        GLY  41  -3.788   5.499  -4.858
  322    HA2  GLY  41           HA2      GLY  41  -5.320   7.798  -5.166
  323    HA3  GLY  41           HA3      GLY  41  -5.960   6.150  -4.987
  324    H    ASP  42           H        ASP  42  -4.731   6.005  -2.161
  325    HA   ASP  42           HA       ASP  42  -5.873   8.254  -0.752
  326    HB2  ASP  42           HB2      ASP  42  -7.865   6.738  -1.192
  327    HB3  ASP  42           HB3      ASP  42  -7.066   5.506  -0.202
  328    H    VAL  43           H        VAL  43  -5.446   8.129   1.571
  329    HA   VAL  43           HA       VAL  43  -3.808   5.983   2.626
  330    HB   VAL  43           HB       VAL  43  -2.048   7.188   1.504
  331   HG11  VAL  43          HG11      VAL  43  -3.162   9.353   1.142
  332   HG12  VAL  43          HG12      VAL  43  -3.071   9.699   2.886
  333   HG13  VAL  43          HG13      VAL  43  -1.582   9.574   1.921
  334   HG21  VAL  43          HG21      VAL  43  -2.029   8.006   4.438
  335   HG22  VAL  43          HG22      VAL  43  -1.565   6.404   3.817
  336   HG23  VAL  43          HG23      VAL  43  -0.622   7.841   3.375
  337    H    TYR  44           H        TYR  44  -3.866   6.011   4.915
  338    HA   TYR  44           HA       TYR  44  -5.208   8.281   6.232
  339    HB2  TYR  44           HB2      TYR  44  -6.934   6.701   5.189
  340    HB3  TYR  44           HB3      TYR  44  -6.457   5.544   6.433
  341    HD1  TYR  44           HD2      TYR  44  -7.118   9.246   6.236
  342    HD2  TYR  44           HD1      TYR  44  -7.927   5.537   8.266
  343    HE1  TYR  44           HE2      TYR  44  -8.565  10.452   7.846
  344    HE2  TYR  44           HE1      TYR  44  -9.404   6.736   9.859
  345    HH   TYR  44           HH       TYR  44 -10.237   8.784  10.527
  346    H    ILE  45           H        ILE  45  -5.258   8.056   8.578
  347    HA   ILE  45           HA       ILE  45  -3.705   5.845   9.757
  348    HB   ILE  45           HB       ILE  45  -3.006   8.777  10.139
  349   HG12  ILE  45          HG12      ILE  45  -1.446   6.323   9.225
  350   HG13  ILE  45          HG13      ILE  45  -1.923   7.690   8.203
  351   HG21  ILE  45          HG21      ILE  45  -2.011   6.327  11.670
  352   HG22  ILE  45          HG22      ILE  45  -1.464   8.007  11.902
  353   HG23  ILE  45          HG23      ILE  45  -3.109   7.557  12.331
  354   HD11  ILE  45          HD11      ILE  45   0.069   7.737  10.508
  355   HD12  ILE  45          HD12      ILE  45   0.408   7.931   8.781
  356   HD13  ILE  45          HD13      ILE  45  -0.514   9.185   9.644
  357    HA   PRO  46           HA       PRO  46  -7.585   6.787  11.976
  358    HB2  PRO  46           HB2      PRO  46  -8.391   4.237  12.359
  359    HB3  PRO  46           HB3      PRO  46  -8.454   5.019  10.737
  360    HG2  PRO  46           HG2      PRO  46  -6.303   3.195  11.839
  361    HG3  PRO  46           HG3      PRO  46  -7.174   3.048  10.271
  362    HD2  PRO  46           HD2      PRO  46  -4.734   4.271  10.496
  363    HD3  PRO  46           HD3      PRO  46  -5.973   4.833   9.329
  364    H    ARG  47           H        ARG  47  -4.751   6.558  13.075
  365    HA   ARG  47           HA       ARG  47  -4.185   4.925  15.125
  366    HB2  ARG  47           HB2      ARG  47  -3.131   6.904  16.237
  367    HB3  ARG  47           HB3      ARG  47  -2.764   6.688  14.512
  368    HG2  ARG  47           HG2      ARG  47  -4.477   8.438  13.973
  369    HG3  ARG  47           HG3      ARG  47  -4.685   8.720  15.719
  370    HD2  ARG  47           HD2      ARG  47  -2.325   9.320  15.927
  371    HD3  ARG  47           HD3      ARG  47  -2.053   8.946  14.212
  372    HE   ARG  47           HE       ARG  47  -4.134  10.848  14.338
  373   HH11  ARG  47          HH11      ARG  47  -0.689  10.668  15.117
  374   HH12  ARG  47          HH12      ARG  47  -0.420  12.373  14.829
  375   HH21  ARG  47          HH21      ARG  47  -3.747  13.064  13.960
  376   HH22  ARG  47          HH22      ARG  47  -2.147  13.720  14.179
  377    H    ASP  48           H        ASP  48  -6.163   7.840  15.748
  378    HA   ASP  48           HA       ASP  48  -8.092   6.315  17.349
  379    HB2  ASP  48           HB2      ASP  48  -6.724   8.722  18.577
  380    HB3  ASP  48           HB3      ASP  48  -7.834   7.594  19.358
  381    H    ARG  49           H        ARG  49  -9.735   8.143  18.211
  382    HA   ARG  49           HA       ARG  49  -9.666  10.508  16.449
  383    HB2  ARG  49           HB2      ARG  49 -11.133   8.646  15.452
  384    HB3  ARG  49           HB3      ARG  49 -12.251   8.968  16.790
  385    HG2  ARG  49           HG2      ARG  49 -12.305  11.402  16.047
  386    HG3  ARG  49           HG3      ARG  49 -11.207  10.975  14.728
  387    HD2  ARG  49           HD2      ARG  49 -13.392  11.010  13.812
  388    HD3  ARG  49           HD3      ARG  49 -12.928   9.303  13.953
  389    HE   ARG  49           HE       ARG  49 -14.266   9.361  16.143
  390   HH11  ARG  49          HH11      ARG  49 -15.071  11.411  13.360
  391   HH12  ARG  49          HH12      ARG  49 -16.749  11.555  13.813
  392   HH21  ARG  49          HH21      ARG  49 -16.469   9.599  16.711
  393   HH22  ARG  49          HH22      ARG  49 -17.533  10.544  15.703
  394    H    TYR  50           H        TYR  50  -9.362   9.583  19.407
  395    HA   TYR  50           HA       TYR  50 -10.886  11.899  20.501
  396    HB2  TYR  50           HB2      TYR  50 -10.424   9.413  22.138
  397    HB3  TYR  50           HB3      TYR  50 -11.599  10.701  22.392
  398    HD1  TYR  50           HD2      TYR  50 -13.475  10.873  20.495
  399    HD2  TYR  50           HD1      TYR  50 -11.039   7.410  21.239
  400    HE1  TYR  50           HE2      TYR  50 -15.169   9.448  19.375
  401    HE2  TYR  50           HE1      TYR  50 -12.709   5.977  20.130
  402    HH   TYR  50           HH       TYR  50 -14.754   5.902  19.057
  403    H    THR  51           H        THR  51  -7.926  10.230  20.103
  404    HA   THR  51           HA       THR  51  -6.590  12.018  22.064
  405    HB   THR  51           HB       THR  51  -5.210  10.168  22.842
  406   HG21  THR  51          HG21      THR  51  -6.861   8.815  24.024
  407   HG22  THR  51          HG22      THR  51  -7.451  10.485  23.955
  408   HG23  THR  51          HG23      THR  51  -8.125   9.243  22.863
  409    H    LYS  52           H        LYS  52  -6.704  10.412  18.986
  410    HA   LYS  52           HA       LYS  52  -5.293  10.240  17.245
  411    HB2  LYS  52           HB2      LYS  52  -5.243  13.218  17.873
  412    HB3  LYS  52           HB3      LYS  52  -4.853  12.502  16.300
  413    HG2  LYS  52           HG2      LYS  52  -7.126  11.556  16.135
  414    HG3  LYS  52           HG3      LYS  52  -7.524  12.194  17.747
  415    HD2  LYS  52           HD2      LYS  52  -7.139  14.504  16.931
  416    HD3  LYS  52           HD3      LYS  52  -6.768  13.868  15.317
  417    HE2  LYS  52           HE2      LYS  52  -9.024  12.889  15.158
  418    HE3  LYS  52           HE3      LYS  52  -9.397  13.436  16.799
  419    HZ1  LYS  52           HZ1      LYS  52 -10.274  14.932  15.133
  420    HZ2  LYS  52           HZ2      LYS  52  -9.153  15.697  16.052
  421    HZ3  LYS  52           HZ3      LYS  52  -8.769  15.212  14.532
  422    H    GLU  53           H        GLU  53  -3.698   9.133  18.959
  423    HA   GLU  53           HA       GLU  53  -1.075  10.380  18.360
  424    HB2  GLU  53           HB2      GLU  53  -0.337  10.345  20.680
  425    HB3  GLU  53           HB3      GLU  53  -1.761  11.377  20.506
  426    HG2  GLU  53           HG2      GLU  53  -3.202   9.562  21.376
  427    HG3  GLU  53           HG3      GLU  53  -1.801   8.487  21.488
  428    H    SER  54           H        SER  54  -2.856   7.492  18.416
  429    HA   SER  54           HA       SER  54  -0.929   5.739  19.572
  430    HB2  SER  54           HB2      SER  54  -3.228   5.047  19.134
  431    HB3  SER  54           HB3      SER  54  -2.996   5.256  17.389
  432    HG   SER  54           HG       SER  54  -2.721   3.085  18.064
  433    H    ARG  55           H        ARG  55  -1.426   6.807  16.253
  434    HA   ARG  55           HA       ARG  55  -0.319   6.497  14.311
  435    HB2  ARG  55           HB2      ARG  55   1.473   7.980  14.185
  436    HB3  ARG  55           HB3      ARG  55   0.491   8.537  15.545
  437    HG2  ARG  55           HG2      ARG  55   2.101   7.282  17.085
  438    HG3  ARG  55           HG3      ARG  55   3.131   7.008  15.667
  439    HD2  ARG  55           HD2      ARG  55   2.376   9.620  16.992
  440    HD3  ARG  55           HD3      ARG  55   3.991   8.941  16.753
  441    HE   ARG  55           HE       ARG  55   2.554  10.647  14.964
  442   HH11  ARG  55          HH11      ARG  55   4.712   7.844  14.871
  443   HH12  ARG  55          HH12      ARG  55   5.205   8.170  13.214
  444   HH21  ARG  55          HH21      ARG  55   3.316  11.062  12.852
  445   HH22  ARG  55          HH22      ARG  55   4.482   9.982  12.127
  446    H    GLY  56           H        GLY  56   0.089   4.026  16.082
  447    HA2  GLY  56           HA2      GLY  56   2.762   3.084  15.540
  448    HA3  GLY  56           HA3      GLY  56   1.391   2.133  16.143
  449    H    PHE  57           H        PHE  57   0.061   3.427  13.467
  450    HA   PHE  57           HA       PHE  57   1.336   1.818  11.392
  451    HB2  PHE  57           HB2      PHE  57  -0.468   0.316  11.033
  452    HB3  PHE  57           HB3      PHE  57   0.007   0.162  12.726
  453    HD1  PHE  57           HD2      PHE  57  -1.422   1.245  14.512
  454    HD2  PHE  57           HD1      PHE  57  -2.627   1.051  10.392
  455    HE1  PHE  57           HE2      PHE  57  -3.742   1.772  15.172
  456    HE2  PHE  57           HE1      PHE  57  -4.937   1.618  11.032
  457    HZ   PHE  57           HZ       PHE  57  -5.518   1.947  13.445
  458    H    ALA  58           H        ALA  58  -0.344   1.770   9.467
  459    HA   ALA  58           HA       ALA  58  -1.921   4.238   9.241
  460    HB1  ALA  58           HB1      ALA  58   0.425   3.657   7.378
  461    HB2  ALA  58           HB2      ALA  58  -0.687   5.035   7.291
  462    HB3  ALA  58           HB3      ALA  58   0.431   4.896   8.661
  463    H    PHE  59           H        PHE  59  -2.559   4.286   6.716
  464    HA   PHE  59           HA       PHE  59  -3.278   1.574   5.792
  465    HB2  PHE  59           HB2      PHE  59  -4.970   2.525   7.422
  466    HB3  PHE  59           HB3      PHE  59  -5.301   3.794   6.240
  467    HD1  PHE  59           HD1      PHE  59  -5.190   1.927   3.707
  468    HD2  PHE  59           HD2      PHE  59  -7.075   1.576   7.560
  469    HE1  PHE  59           HE1      PHE  59  -6.882   0.421   2.742
  470    HE2  PHE  59           HE2      PHE  59  -8.774   0.078   6.591
  471    HZ   PHE  59           HZ       PHE  59  -8.674  -0.526   4.170
  472    H    VAL  60           H        VAL  60  -1.545   2.386   4.213
  473    HA   VAL  60           HA       VAL  60  -2.414   4.502   2.371
  474    HB   VAL  60           HB       VAL  60  -0.345   2.351   1.789
  475   HG11  VAL  60          HG11      VAL  60  -0.769   5.188   0.784
  476   HG12  VAL  60          HG12      VAL  60   0.597   4.128   0.359
  477   HG13  VAL  60          HG13      VAL  60  -1.036   3.676  -0.134
  478   HG21  VAL  60          HG21      VAL  60   0.213   3.471   3.952
  479   HG22  VAL  60          HG22      VAL  60   1.342   3.850   2.644
  480   HG23  VAL  60          HG23      VAL  60   0.103   5.047   3.128
  481    H    ARG  61           H        ARG  61  -3.242   4.074   0.128
  482    HA   ARG  61           HA       ARG  61  -4.094   1.298  -0.333
  483    HB2  ARG  61           HB2      ARG  61  -5.926   2.025   0.990
  484    HB3  ARG  61           HB3      ARG  61  -5.952   3.626   0.249
  485    HG2  ARG  61           HG2      ARG  61  -6.927   2.829  -1.765
  486    HG3  ARG  61           HG3      ARG  61  -6.593   1.129  -1.361
  487    HD2  ARG  61           HD2      ARG  61  -8.970   1.722  -1.067
  488    HD3  ARG  61           HD3      ARG  61  -8.190   1.140   0.419
  489    HE   ARG  61           HE       ARG  61  -8.059   3.994   0.307
  490   HH11  ARG  61          HH11      ARG  61 -10.415   1.399   0.698
  491   HH12  ARG  61          HH12      ARG  61 -11.383   2.299   1.852
  492   HH21  ARG  61          HH21      ARG  61  -9.393   5.171   1.755
  493   HH22  ARG  61          HH22      ARG  61 -10.829   4.424   2.417
  494    H    PHE  62           H        PHE  62  -4.895   0.828  -2.358
  495    HA   PHE  62           HA       PHE  62  -4.446   2.864  -4.507
  496    HB2  PHE  62           HB2      PHE  62  -3.703  -0.087  -4.535
  497    HB3  PHE  62           HB3      PHE  62  -3.633   0.992  -5.922
  498    HD1  PHE  62           HD1      PHE  62  -2.327   0.668  -2.417
  499    HD2  PHE  62           HD2      PHE  62  -1.613   2.065  -6.417
  500    HE1  PHE  62           HE1      PHE  62  -0.046   1.315  -1.768
  501    HE2  PHE  62           HE2      PHE  62   0.702   2.698  -5.776
  502    HZ   PHE  62           HZ       PHE  62   1.493   2.321  -3.468
  503    H    HIS  63           H        HIS  63  -5.612   2.345  -6.513
  504    HA   HIS  63           HA       HIS  63  -8.204   0.969  -5.923
  505    HB2  HIS  63           HB2      HIS  63  -7.804   3.484  -7.565
  506    HB3  HIS  63           HB3      HIS  63  -9.340   2.733  -7.121
  507    HD2  HIS  63           HD2      HIS  63  -7.853   5.719  -6.397
  508    HE1  HIS  63           HE1      HIS  63  -8.844   4.505  -2.439
  509    HE2  HIS  63           HE2      HIS  63  -8.231   6.491  -3.902
  510    H    ASP  64           H        ASP  64  -5.474   0.911  -7.903
  511    HA   ASP  64           HA       ASP  64  -7.057  -0.468 -10.025
  512    HB2  ASP  64           HB2      ASP  64  -6.179   1.722 -10.814
  513    HB3  ASP  64           HB3      ASP  64  -4.532   1.161 -10.456
  514    H    LYS  65           H        LYS  65  -6.381  -2.436 -10.635
  515    HA   LYS  65           HA       LYS  65  -4.914  -3.836  -8.657
  516    HB2  LYS  65           HB2      LYS  65  -5.446  -5.800  -9.929
  517    HB3  LYS  65           HB3      LYS  65  -6.831  -4.711  -9.900
  518    HG2  LYS  65           HG2      LYS  65  -6.882  -5.239 -12.125
  519    HG3  LYS  65           HG3      LYS  65  -5.801  -3.848 -12.211
  520    HD2  LYS  65           HD2      LYS  65  -4.886  -5.656 -13.550
  521    HD3  LYS  65           HD3      LYS  65  -3.844  -5.459 -12.132
  522    HE2  LYS  65           HE2      LYS  65  -5.078  -7.320 -11.007
  523    HE3  LYS  65           HE3      LYS  65  -6.050  -7.538 -12.478
  524    HZ1  LYS  65           HZ1      LYS  65  -3.135  -7.826 -12.267
  525    HZ2  LYS  65           HZ2      LYS  65  -4.214  -9.057 -12.406
  526    HZ3  LYS  65           HZ3      LYS  65  -4.000  -8.012 -13.660
  527    H    ARG  66           H        ARG  66  -3.789  -2.394 -11.708
  528    HA   ARG  66           HA       ARG  66  -1.559  -4.234 -11.919
  529    HB2  ARG  66           HB2      ARG  66  -0.924  -3.012 -13.798
  530    HB3  ARG  66           HB3      ARG  66  -2.678  -2.813 -13.756
  531    HG2  ARG  66           HG2      ARG  66  -2.170  -0.584 -12.459
  532    HG3  ARG  66           HG3      ARG  66  -0.509  -0.827 -13.026
  533    HD2  ARG  66           HD2      ARG  66  -1.498   0.560 -14.664
  534    HD3  ARG  66           HD3      ARG  66  -1.555  -1.057 -15.391
  535    HE   ARG  66           HE       ARG  66  -3.927  -0.482 -13.845
  536   HH11  ARG  66          HH11      ARG  66  -2.405   0.135 -16.965
  537   HH12  ARG  66          HH12      ARG  66  -3.916   0.473 -17.775
  538   HH21  ARG  66          HH21      ARG  66  -5.865   0.048 -14.867
  539   HH22  ARG  66          HH22      ARG  66  -5.898   0.412 -16.579
  540    H    ASP  67           H        ASP  67  -2.048  -1.001 -10.503
  541    HA   ASP  67           HA       ASP  67   0.767  -0.751  -9.745
  542    HB2  ASP  67           HB2      ASP  67  -1.703   0.842  -8.969
  543    HB3  ASP  67           HB3      ASP  67  -0.029   1.313  -8.631
  544    H    ALA  68           H        ALA  68  -2.257  -1.953  -8.354
  545    HA   ALA  68           HA       ALA  68  -1.332  -1.933  -5.626
  546    HB1  ALA  68           HB1      ALA  68  -3.338  -3.390  -5.277
  547    HB2  ALA  68           HB2      ALA  68  -3.739  -1.937  -6.209
  548    HB3  ALA  68           HB3      ALA  68  -3.536  -3.502  -7.040
  549    H    GLU  69           H        GLU  69  -1.308  -4.348  -8.300
  550    HA   GLU  69           HA       GLU  69  -0.342  -6.476  -6.614
  551    HB2  GLU  69           HB2      GLU  69  -0.312  -6.030  -9.622
  552    HB3  GLU  69           HB3      GLU  69   0.377  -7.474  -8.847
  553    HG2  GLU  69           HG2      GLU  69  -1.768  -7.991  -7.785
  554    HG3  GLU  69           HG3      GLU  69  -2.511  -6.570  -8.532
  555    H    ASP  70           H        ASP  70   1.308  -3.931  -8.577
  556    HA   ASP  70           HA       ASP  70   3.937  -5.023  -8.084
  557    HB2  ASP  70           HB2      ASP  70   2.943  -2.240  -8.780
  558    HB3  ASP  70           HB3      ASP  70   4.648  -2.657  -8.590
  559    H    ALA  71           H        ALA  71   1.813  -2.716  -6.356
  560    HA   ALA  71           HA       ALA  71   3.754  -1.714  -4.568
  561    HB1  ALA  71           HB1      ALA  71   1.564  -0.668  -4.906
  562    HB2  ALA  71           HB2      ALA  71   0.758  -2.090  -4.203
  563    HB3  ALA  71           HB3      ALA  71   1.803  -1.074  -3.185
  564    H    MET  72           H        MET  72   1.870  -4.765  -4.468
  565    HA   MET  72           HA       MET  72   2.942  -5.232  -1.745
  566    HB2  MET  72           HB2      MET  72   1.469  -7.117  -1.632
  567    HB3  MET  72           HB3      MET  72   0.544  -5.770  -2.344
  568    HG2  MET  72           HG2      MET  72   1.190  -6.614  -4.580
  569    HG3  MET  72           HG3      MET  72   1.860  -8.070  -3.822
  570    HE1  MET  72           HE1      MET  72   0.018  -8.382  -6.139
  571    HE2  MET  72           HE2      MET  72   0.533  -9.776  -5.163
  572    HE3  MET  72           HE3      MET  72  -1.183  -9.582  -5.591
  573    H    ASP  73           H        ASP  73   3.511  -6.176  -5.084
  574    HA   ASP  73           HA       ASP  73   5.135  -8.476  -4.483
  575    HB2  ASP  73           HB2      ASP  73   4.035  -8.066  -6.664
  576    HB3  ASP  73           HB3      ASP  73   5.085  -6.661  -6.921
  577    H    ALA  74           H        ALA  74   5.660  -5.156  -3.917
  578    HA   ALA  74           HA       ALA  74   8.602  -5.632  -3.791
  579    HB1  ALA  74           HB1      ALA  74   7.126  -3.210  -4.829
  580    HB2  ALA  74           HB2      ALA  74   8.893  -3.296  -4.605
  581    HB3  ALA  74           HB3      ALA  74   8.092  -4.348  -5.800
  582    H    MET  75           H        MET  75   5.777  -4.520  -2.078
  583    HA   MET  75           HA       MET  75   7.628  -3.317  -0.044
  584    HB2  MET  75           HB2      MET  75   4.637  -2.967  -0.365
  585    HB3  MET  75           HB3      MET  75   5.602  -2.329   0.961
  586    HG2  MET  75           HG2      MET  75   6.053  -1.607  -1.965
  587    HG3  MET  75           HG3      MET  75   5.099  -0.665  -0.813
  588    HE1  MET  75           HE1      MET  75   7.761   1.890  -0.805
  589    HE2  MET  75           HE2      MET  75   6.360   1.239  -1.701
  590    HE3  MET  75           HE3      MET  75   6.224   1.576   0.030
  591    H    ASP  76           H        ASP  76   5.148  -5.934  -0.512
  592    HA   ASP  76           HA       ASP  76   4.880  -6.475   2.246
  593    HB2  ASP  76           HB2      ASP  76   3.483  -7.509   0.467
  594    HB3  ASP  76           HB3      ASP  76   4.888  -8.444  -0.074
  595    H    GLY  77           H        GLY  77   6.446  -6.905   3.700
  596    HA2  GLY  77           HA2      GLY  77   8.075  -8.335   4.622
  597    HA3  GLY  77           HA3      GLY  77   8.534  -8.880   2.999
  598    H    ALA  78           H        ALA  78   8.298  -5.494   2.912
  599    HA   ALA  78           HA       ALA  78  11.161  -5.170   2.751
  600    HB1  ALA  78           HB1      ALA  78   8.896  -3.133   2.871
  601    HB2  ALA  78           HB2      ALA  78  10.572  -2.798   2.383
  602    HB3  ALA  78           HB3      ALA  78   9.556  -3.866   1.397
  603    H    VAL  79           H        VAL  79  11.903  -2.955   4.011
  604    HA   VAL  79           HA       VAL  79  11.154  -3.225   6.874
  605    HB   VAL  79           HB       VAL  79  14.004  -3.252   5.768
  606   HG11  VAL  79          HG11      VAL  79  13.041  -3.244   8.648
  607   HG12  VAL  79          HG12      VAL  79  14.722  -3.429   8.105
  608   HG13  VAL  79          HG13      VAL  79  13.869  -1.900   7.813
  609   HG21  VAL  79          HG21      VAL  79  12.424  -5.323   7.353
  610   HG22  VAL  79          HG22      VAL  79  12.893  -5.452   5.647
  611   HG23  VAL  79          HG23      VAL  79  14.145  -5.448   6.907
  612    H    LEU  80           H        LEU  80  10.509  -1.294   7.560
  613    HA   LEU  80           HA       LEU  80  11.052   1.133   6.137
  614    HB2  LEU  80           HB2      LEU  80   9.036   0.558   7.585
  615    HB3  LEU  80           HB3      LEU  80  10.057   0.770   9.002
  616    HG   LEU  80           HG       LEU  80   8.597   2.683   8.503
  617   HD11  LEU  80          HD11      LEU  80  11.496   3.506   8.117
  618   HD12  LEU  80          HD12      LEU  80  10.173   4.457   8.799
  619   HD13  LEU  80          HD13      LEU  80  10.775   3.030   9.678
  620   HD21  LEU  80          HD21      LEU  80   8.631   2.481   6.022
  621   HD22  LEU  80          HD22      LEU  80   8.971   4.127   6.594
  622   HD23  LEU  80          HD23      LEU  80  10.300   3.089   6.015
  623    H    ASP  81           H        ASP  81  12.067  -0.010   9.391
  624    HA   ASP  81           HA       ASP  81  14.706   1.246   9.021
  625    HB2  ASP  81           HB2      ASP  81  13.198   3.030   9.919
  626    HB3  ASP  81           HB3      ASP  81  12.861   2.002  11.319
  627    H    GLY  82           H        GLY  82  12.889  -1.383  10.072
  628    HA2  GLY  82           HA2      GLY  82  14.957  -2.902  10.945
  629    HA3  GLY  82           HA3      GLY  82  14.480  -2.052  12.427
  630    H    ARG  83           H        ARG  83  11.584  -2.249  10.874
  631    HA   ARG  83           HA       ARG  83  11.044  -5.047  11.750
  632    HB2  ARG  83           HB2      ARG  83   8.842  -4.359  12.395
  633    HB3  ARG  83           HB3      ARG  83  10.005  -3.273  13.186
  634    HG2  ARG  83           HG2      ARG  83   9.617  -1.581  11.435
  635    HG3  ARG  83           HG3      ARG  83   8.480  -2.663  10.613
  636    HD2  ARG  83           HD2      ARG  83   7.314  -0.983  11.976
  637    HD3  ARG  83           HD3      ARG  83   6.975  -2.653  12.495
  638    HE   ARG  83           HE       ARG  83   9.157  -1.546  14.005
  639   HH11  ARG  83          HH11      ARG  83   5.643  -1.371  13.653
  640   HH12  ARG  83          HH12      ARG  83   5.375  -0.972  15.332
  641   HH21  ARG  83          HH21      ARG  83   8.782  -1.024  16.199
  642   HH22  ARG  83          HH22      ARG  83   7.153  -0.771  16.770
  643    H    GLU  84           H        GLU  84   8.575  -5.363  10.633
  644    HA   GLU  84           HA       GLU  84   9.397  -5.607   7.783
  645    HB2  GLU  84           HB2      GLU  84   7.238  -6.955   9.459
  646    HB3  GLU  84           HB3      GLU  84   7.451  -7.206   7.714
  647    HG2  GLU  84           HG2      GLU  84   9.789  -7.983   8.149
  648    HG3  GLU  84           HG3      GLU  84   9.499  -7.780   9.886
  649    H    LEU  85           H        LEU  85   7.651  -5.441   6.126
  650    HA   LEU  85           HA       LEU  85   5.565  -3.414   6.834
  651    HB2  LEU  85           HB2      LEU  85   7.258  -3.719   4.357
  652    HB3  LEU  85           HB3      LEU  85   5.619  -3.040   4.278
  653    HG   LEU  85           HG       LEU  85   6.284  -1.402   6.089
  654   HD11  LEU  85          HD11      LEU  85   9.040  -2.430   5.334
  655   HD12  LEU  85          HD12      LEU  85   8.725  -0.892   6.185
  656   HD13  LEU  85          HD13      LEU  85   8.293  -2.437   6.955
  657   HD21  LEU  85          HD21      LEU  85   6.060  -0.797   3.719
  658   HD22  LEU  85          HD22      LEU  85   7.405   0.085   4.474
  659   HD23  LEU  85          HD23      LEU  85   7.740  -1.306   3.413
  660    H    ARG  86           H        ARG  86   3.581  -3.650   5.704
  661    HA   ARG  86           HA       ARG  86   2.997  -6.362   4.611
  662    HB2  ARG  86           HB2      ARG  86   1.644  -4.819   6.857
  663    HB3  ARG  86           HB3      ARG  86   0.778  -6.060   5.988
  664    HG2  ARG  86           HG2      ARG  86   3.383  -6.574   7.507
  665    HG3  ARG  86           HG3      ARG  86   1.761  -6.792   8.169
  666    HD2  ARG  86           HD2      ARG  86   2.231  -8.936   7.473
  667    HD3  ARG  86           HD3      ARG  86   1.339  -8.303   6.083
  668    HE   ARG  86           HE       ARG  86   3.281  -8.411   4.791
  669   HH11  ARG  86          HH11      ARG  86   4.136  -8.913   8.206
  670   HH12  ARG  86          HH12      ARG  86   5.751  -9.452   7.807
  671   HH21  ARG  86          HH21      ARG  86   5.310  -9.185   4.345
  672   HH22  ARG  86          HH22      ARG  86   6.417  -9.632   5.633
  673    H    VAL  87           H        VAL  87   1.459  -6.381   3.064
  674    HA   VAL  87           HA       VAL  87  -0.251  -4.102   2.533
  675    HB   VAL  87           HB       VAL  87   1.675  -3.130   1.572
  676   HG11  VAL  87          HG11      VAL  87   3.133  -4.253  -0.048
  677   HG12  VAL  87          HG12      VAL  87   3.163  -5.065   1.521
  678   HG13  VAL  87          HG13      VAL  87   2.234  -5.770   0.173
  679   HG21  VAL  87          HG21      VAL  87  -0.350  -3.064   0.129
  680   HG22  VAL  87          HG22      VAL  87   1.154  -3.038  -0.818
  681   HG23  VAL  87          HG23      VAL  87   0.197  -4.534  -0.692
  682    H    GLN  88           H        GLN  88  -2.093  -4.961   1.722
  683    HA   GLN  88           HA       GLN  88  -2.108  -7.170  -0.146
  684    HB2  GLN  88           HB2      GLN  88  -3.284  -8.762   1.321
  685    HB3  GLN  88           HB3      GLN  88  -1.638  -8.464   1.893
  686    HG2  GLN  88           HG2      GLN  88  -4.082  -7.047   3.029
  687    HG3  GLN  88           HG3      GLN  88  -3.448  -8.557   3.675
  688   HE21  GLN  88          HE22      GLN  88  -3.510  -5.380   4.314
  689   HE22  GLN  88          HE21      GLN  88  -1.951  -5.183   5.103
  690    H    MET  89           H        MET  89  -4.426  -7.907  -0.547
  691    HA   MET  89           HA       MET  89  -6.026  -5.588  -1.014
  692    HB2  MET  89           HB2      MET  89  -6.779  -8.533  -1.098
  693    HB3  MET  89           HB3      MET  89  -7.674  -7.188  -1.856
  694    HG2  MET  89           HG2      MET  89  -4.828  -8.052  -2.501
  695    HG3  MET  89           HG3      MET  89  -6.251  -8.376  -3.493
  696    HE1  MET  89           HE1      MET  89  -4.464  -7.417  -5.380
  697    HE2  MET  89           HE2      MET  89  -3.851  -5.743  -5.352
  698    HE3  MET  89           HE3      MET  89  -3.314  -6.905  -4.122
  699    H    ALA  90           H        ALA  90  -7.883  -4.822  -0.006
  700    HA   ALA  90           HA       ALA  90  -8.157  -5.326   2.788
  701    HB1  ALA  90           HB1      ALA  90  -8.658  -3.150   1.776
  702    HB2  ALA  90           HB2      ALA  90  -9.983  -3.881   0.829
  703    HB3  ALA  90           HB3      ALA  90 -10.089  -3.781   2.602
  704    H    ARG  91           H        ARG  91 -10.573  -5.632   3.617
  705    HA   ARG  91           HA       ARG  91 -11.854  -7.924   2.208
  706    HB2  ARG  91           HB2      ARG  91 -12.029  -9.152   4.258
  707    HB3  ARG  91           HB3      ARG  91 -10.307  -8.736   3.997
  708    HG2  ARG  91           HG2      ARG  91 -10.670  -6.750   5.544
  709    HG3  ARG  91           HG3      ARG  91 -12.278  -7.405   5.894
  710    HD2  ARG  91           HD2      ARG  91  -9.648  -8.868   6.355
  711    HD3  ARG  91           HD3      ARG  91 -10.591  -8.033   7.602
  712    HE   ARG  91           HE       ARG  91 -12.268  -9.918   6.268
  713   HH11  ARG  91          HH11      ARG  91  -9.556  -9.784   8.529
  714   HH12  ARG  91          HH12      ARG  91  -9.968 -11.295   9.303
  715   HH21  ARG  91          HH21      ARG  91 -12.779 -11.897   7.283
  716   HH22  ARG  91          HH22      ARG  91 -11.783 -12.493   8.591
  717    H    TYR  92           H        TYR  92 -12.124  -4.957   3.751
  718    HA   TYR  92           HA       TYR  92 -15.087  -5.248   3.863
  719    HB2  TYR  92           HB2      TYR  92 -13.394  -3.659   5.831
  720    HB3  TYR  92           HB3      TYR  92 -15.144  -3.784   5.837
  721    HD1  TYR  92           HD1      TYR  92 -15.805  -6.568   5.673
  722    HD2  TYR  92           HD2      TYR  92 -12.458  -4.700   7.631
  723    HE1  TYR  92           HE1      TYR  92 -15.645  -8.491   7.236
  724    HE2  TYR  92           HE2      TYR  92 -12.294  -6.623   9.202
  725    HH   TYR  92           HH       TYR  92 -14.538  -9.404   9.023
  726    H    GLY  93           H        GLY  93 -16.210  -3.061   3.715
  727    HA2  GLY  93           HA2      GLY  93 -14.892  -1.356   1.736
  728    HA3  GLY  93           HA3      GLY  93 -16.509  -1.140   2.434
  729    H    ARG  94           H        ARG  94 -15.963  -1.113   5.171
  730    HA   ARG  94           HA       ARG  94 -13.719   0.330   6.035
  731    HB2  ARG  94           HB2      ARG  94 -14.509   2.532   6.287
  732    HB3  ARG  94           HB3      ARG  94 -15.115   2.110   4.700
  733    HG2  ARG  94           HG2      ARG  94 -17.304   1.417   5.837
  734    HG3  ARG  94           HG3      ARG  94 -16.655   2.201   7.310
  735    HD2  ARG  94           HD2      ARG  94 -16.935   3.533   4.594
  736    HD3  ARG  94           HD3      ARG  94 -18.112   3.682   5.932
  737    HE   ARG  94           HE       ARG  94 -15.627   4.396   6.980
  738   HH11  ARG  94          HH11      ARG  94 -17.781   5.576   4.441
  739   HH12  ARG  94          HH12      ARG  94 -17.262   7.238   4.607
  740   HH21  ARG  94          HH21      ARG  94 -14.981   6.565   7.194
  741   HH22  ARG  94          HH22      ARG  94 -15.676   7.793   6.161
  742    HA   PRO  95           HA       PRO  95 -15.290  -1.450   9.759
  743    HB2  PRO  95           HB2      PRO  95 -14.917   0.480  11.700
  744    HB3  PRO  95           HB3      PRO  95 -13.590  -0.479  10.952
  745    HG2  PRO  95           HG2      PRO  95 -14.607   2.257  10.106
  746    HG3  PRO  95           HG3      PRO  95 -12.902   1.837  10.464
  747    HD2  PRO  95           HD2      PRO  95 -13.776   1.849   7.955
  748    HD3  PRO  95           HD3      PRO  95 -12.803   0.448   8.503
  749    HA   PRO  96           HA       PRO  96 -19.457  -0.071   9.879
  750    HB2  PRO  96           HB2      PRO  96 -20.558  -1.873  11.566
  751    HB3  PRO  96           HB3      PRO  96 -19.781  -2.396  10.031
  752    HG2  PRO  96           HG2      PRO  96 -18.559  -2.363  12.811
  753    HG3  PRO  96           HG3      PRO  96 -18.582  -3.711  11.628
  754    HD2  PRO  96           HD2      PRO  96 -16.450  -1.983  11.859
  755    HD3  PRO  96           HD3      PRO  96 -16.931  -2.709  10.302
  756    H    ASP  97           H        ASP  97 -17.590   0.040  12.925
  757    HA   ASP  97           HA       ASP  97 -19.450   2.054  13.919
  758    HB2  ASP  97           HB2      ASP  97 -20.214   0.860  15.831
  759    HB3  ASP  97           HB3      ASP  97 -20.482  -0.199  14.434
  760    H    SER  98           H        SER  98 -16.437   1.574  13.455
  761    HA   SER  98           HA       SER  98 -15.158   1.621  16.008
  762    HB2  SER  98           HB2      SER  98 -14.248   2.771  13.344
  763    HB3  SER  98           HB3      SER  98 -13.228   2.622  14.783
  764    HG   SER  98           HG       SER  98 -13.025   0.799  13.396
  765    H    HIS  99           H        HIS  99 -17.246   3.964  14.766
  766    HA   HIS  99           HA       HIS  99 -16.064   6.010  16.567
  767    HB2  HIS  99           HB2      HIS  99 -16.410   7.735  14.918
  768    HB3  HIS  99           HB3      HIS  99 -15.377   6.478  14.229
  769    HD2  HIS  99           HD2      HIS  99 -16.787   4.629  12.563
  770    HE1  HIS  99           HE1      HIS  99 -19.683   7.512  11.388
  771    HE2  HIS  99           HE2      HIS  99 -18.683   5.226  10.865
  772    H    HIS 100           H        HIS 100 -18.518   4.025  16.240
  773    HA   HIS 100           HA       HIS 100 -20.704   3.927  16.779
  774    HB2  HIS 100           HB2      HIS 100 -20.054   6.329  18.499
  775    HB3  HIS 100           HB3      HIS 100 -21.372   5.175  18.737
  776    HD2  HIS 100           HD2      HIS 100 -17.906   5.844  19.818
  777    HE1  HIS 100           HE1      HIS 100 -18.371   1.668  20.499
  778    HE2  HIS 100           HE2      HIS 100 -16.915   3.705  20.964
  779    H    SER 101           H        SER 101 -22.734   5.568  17.368
  780    HA   SER 101           HA       SER 101 -22.984   7.609  15.241
  781    HB2  SER 101           HB2      SER 101 -24.797   5.175  15.489
  782    HB3  SER 101           HB3      SER 101 -25.082   6.571  14.431
  783    HG   SER 101           HG       SER 101 -24.047   4.851  13.330
  784    H5'    U 102           H5'        U 102  -5.174  -6.138  13.206
  785   H5''    U 102          H5''        U 102  -3.508  -6.398  13.802
  786    H4'    U 102           H4'        U 102  -4.927  -3.743  14.165
  787    H3'    U 102           H3'        U 102  -3.295  -4.802  11.832
  788    H2'    U 102           H2'        U 102  -2.329  -2.642  11.622
  789   HO2'    U 102          HO2'        U 102  -4.344  -1.525  11.643
  790    H1'    U 102           H1'        U 102  -2.627  -2.017  14.403
  791    H3     U 102           H3         U 102   1.505  -4.759  12.357
  792    H5     U 102           H5         U 102   1.788  -1.240  14.635
  793    H6     U 102           H6         U 102  -0.638  -1.246  14.818
  794   HO5'    U 102          HO5'        U 102  -5.123  -7.017  15.335
  795    H5'    C 103           H5'        C 103  -6.186  -1.262   8.883
  796   H5''    C 103          H5''        C 103  -6.604  -1.318  10.604
  797    H4'    C 103           H4'        C 103  -8.433  -0.363   9.319
  798    H3'    C 103           H3'        C 103  -8.771  -2.325  11.208
  799    H2'    C 103           H2'        C 103  -8.881  -4.185   9.819
  800   HO2'    C 103          HO2'        C 103 -11.483  -3.078   9.832
  801    H1'    C 103           H1'        C 103 -10.429  -2.762   7.681
  802    H41    C 103           H41        C 103  -7.781  -7.010   3.766
  803    H42    C 103           H42        C 103  -6.812  -7.669   5.066
  804    H5     C 103           H5         C 103  -6.794  -6.720   7.324
  805    H6     C 103           H6         C 103  -7.678  -5.009   8.725
  806    H5'    C 104           H5'        C 104  -9.364   2.690  11.178
  807   H5''    C 104          H5''        C 104 -11.111   2.758  11.474
  808    H4'    C 104           H4'        C 104 -10.196   4.597  10.007
  809    H3'    C 104           H3'        C 104 -12.337   2.836   8.804
  810    H2'    C 104           H2'        C 104 -12.322   4.172   6.976
  811   HO2'    C 104          HO2'        C 104 -12.301   6.235   8.070
  812    H1'    C 104           H1'        C 104  -9.574   4.656   6.940
  813    H41    C 104           H41        C 104 -11.054   0.119   2.665
  814    H42    C 104           H42        C 104 -11.614  -0.966   3.924
  815    H5     C 104           H5         C 104 -11.645  -0.327   6.293
  816    H6     C 104           H6         C 104 -11.151   1.462   7.856
  817    H5'    A 105           H5'        A 105 -16.175   6.667  10.126
  818   H5''    A 105          H5''        A 105 -15.501   8.075   9.291
  819    H4'    A 105           H4'        A 105 -15.219   8.254  11.721
  820    H3'    A 105           H3'        A 105 -13.102   8.542   9.762
  821    H2'    A 105           H2'        A 105 -11.833   6.893  10.776
  822   HO2'    A 105          HO2'        A 105 -11.500   9.193  12.405
  823    H1'    A 105           H1'        A 105 -13.269   7.651  13.376
  824    H8     A 105           H8         A 105 -11.211   4.971  11.597
  825    H61    A 105           H61        A 105  -9.815   3.010  17.317
  826    H62    A 105           H62        A 105  -9.561   2.728  15.606
  827    H2     A 105           H2         A 105 -12.647   6.418  17.647
  828    H5'    G 106           H5'        G 106 -11.187  11.262  10.321
  829   H5''    G 106          H5''        G 106 -12.054  12.746  10.754
  830    H4'    G 106           H4'        G 106 -10.539  13.474   9.168
  831    H3'    G 106           H3'        G 106 -13.237  13.656   8.668
  832    H2'    G 106           H2'        G 106 -13.562  12.017   7.121
  833   HO2'    G 106          HO2'        G 106 -13.376  14.183   5.943
  834    H1'    G 106           H1'        G 106 -10.946  12.048   5.785
  835    H8     G 106           H8         G 106 -13.499  10.045   7.856
  836    H1     G 106           H1         G 106  -9.972   6.744   3.601
  837    H21    G 106           H21        G 106  -8.309   8.017   2.894
  838    H22    G 106           H22        G 106  -8.081   9.643   3.487
  839    H5'    U 107           H5'        U 107 -11.465  15.617   4.935
  840   H5''    U 107          H5''        U 107 -10.757  17.222   4.699
  841    H4'    U 107           H4'        U 107 -13.583  17.611   4.871
  842    H3'    U 107           H3'        U 107 -13.482  15.051   4.111
  843   HO3'    U 107          HO3'        U 107 -15.331  16.425   3.801
  844    H2'    U 107           H2'        U 107 -11.548  15.395   2.685
  845   HO2'    U 107          HO2'        U 107 -13.912  15.370   1.078
  846    H1'    U 107           H1'        U 107 -13.172  17.524   1.331
  847    H3     U 107           H3         U 107  -8.757  19.840   0.822
  848    H5     U 107           H5         U 107  -8.924  15.989  -0.838
  849    H6     U 107           H6         U 107 -11.024  15.643   0.326
  Start of MODEL    2
    1    H    MET   1           H1       MET   1  -5.444  21.260   7.877
    2    HA   MET   1           HA       MET   1  -5.543  18.343   8.189
    3    HB2  MET   1           HB2      MET   1  -7.774  19.393   8.308
    4    HB3  MET   1           HB3      MET   1  -7.476  20.224   6.774
    5    HG2  MET   1           HG2      MET   1  -8.835  18.177   6.478
    6    HG3  MET   1           HG3      MET   1  -7.304  18.103   5.605
    7    HE1  MET   1           HE1      MET   1  -8.375  15.713   9.426
    8    HE2  MET   1           HE2      MET   1  -8.150  17.479   9.457
    9    HE3  MET   1           HE3      MET   1  -9.485  16.761   8.519
   10    H    SER   2           H        SER   2  -4.847  17.131   6.473
   11    HA   SER   2           HA       SER   2  -4.036  18.488   3.981
   12    HB2  SER   2           HB2      SER   2  -1.783  17.401   4.105
   13    HB3  SER   2           HB3      SER   2  -2.039  18.655   5.332
   14    HG   SER   2           HG       SER   2  -1.132  16.742   6.213
   15    H    TYR   3           H        TYR   3  -5.888  16.233   5.237
   16    HA   TYR   3           HA       TYR   3  -5.529  14.396   2.928
   17    HB2  TYR   3           HB2      TYR   3  -6.091  13.581   5.804
   18    HB3  TYR   3           HB3      TYR   3  -6.166  12.509   4.412
   19    HD1  TYR   3           HD2      TYR   3  -3.884  14.483   6.559
   20    HD2  TYR   3           HD1      TYR   3  -4.198  11.702   3.299
   21    HE1  TYR   3           HE2      TYR   3  -1.432  14.132   6.630
   22    HE2  TYR   3           HE1      TYR   3  -1.758  11.278   3.406
   23    HH   TYR   3           HH       TYR   3   0.235  11.924   4.362
   24    H    GLY   4           H        GLY   4  -7.643  12.921   2.888
   25    HA2  GLY   4           HA2      GLY   4 -10.079  14.353   3.637
   26    HA3  GLY   4           HA3      GLY   4  -9.683  14.408   1.909
   27    H    ARG   5           H        ARG   5 -11.993  13.314   2.448
   28    HA   ARG   5           HA       ARG   5 -12.123  10.617   3.186
   29    HB2  ARG   5           HB2      ARG   5 -14.347  10.692   2.118
   30    HB3  ARG   5           HB3      ARG   5 -14.041  12.137   3.085
   31    HG2  ARG   5           HG2      ARG   5 -13.384  13.362   0.990
   32    HG3  ARG   5           HG3      ARG   5 -13.785  11.919   0.044
   33    HD2  ARG   5           HD2      ARG   5 -15.715  13.461   1.828
   34    HD3  ARG   5           HD3      ARG   5 -15.619  13.596   0.074
   35    HE   ARG   5           HE       ARG   5 -16.455  11.359  -0.154
   36   HH11  ARG   5          HH11      ARG   5 -16.452  12.512   3.207
   37   HH12  ARG   5          HH12      ARG   5 -17.633  11.332   3.719
   38   HH21  ARG   5          HH21      ARG   5 -17.982   9.850   0.561
   39   HH22  ARG   5          HH22      ARG   5 -18.483   9.826   2.236
   40    HA   PRO   6           HA       PRO   6 -10.832   8.345  -0.429
   41    HB2  PRO   6           HB2      PRO   6 -12.367   6.098  -0.124
   42    HB3  PRO   6           HB3      PRO   6 -11.000   6.493   0.971
   43    HG2  PRO   6           HG2      PRO   6 -13.949   7.009   1.414
   44    HG3  PRO   6           HG3      PRO   6 -12.771   6.274   2.549
   45    HD2  PRO   6           HD2      PRO   6 -13.455   8.931   2.652
   46    HD3  PRO   6           HD3      PRO   6 -11.801   8.405   3.028
   47    HA   PRO   7           HA       PRO   7 -13.822   9.220  -3.531
   48    HB2  PRO   7           HB2      PRO   7 -13.492   7.241  -5.409
   49    HB3  PRO   7           HB3      PRO   7 -12.266   8.507  -5.103
   50    HG2  PRO   7           HG2      PRO   7 -12.343   5.695  -3.994
   51    HG3  PRO   7           HG3      PRO   7 -10.959   6.551  -4.744
   52    HD2  PRO   7           HD2      PRO   7 -11.281   6.401  -2.038
   53    HD3  PRO   7           HD3      PRO   7 -10.626   7.877  -2.813
   54    HA   PRO   8           HA       PRO   8 -17.406   6.810  -2.600
   55    HB2  PRO   8           HB2      PRO   8 -19.237   7.895  -4.288
   56    HB3  PRO   8           HB3      PRO   8 -18.385   8.916  -3.085
   57    HG2  PRO   8           HG2      PRO   8 -17.645   8.493  -6.008
   58    HG3  PRO   8           HG3      PRO   8 -17.891  10.057  -5.157
   59    HD2  PRO   8           HD2      PRO   8 -15.413   8.901  -5.475
   60    HD3  PRO   8           HD3      PRO   8 -15.845   9.854  -4.025
   61    H    ASP   9           H        ASP   9 -15.468   5.710  -4.843
   62    HA   ASP   9           HA       ASP   9 -17.503   3.976  -6.136
   63    HB2  ASP   9           HB2      ASP   9 -16.830   5.901  -7.601
   64    HB3  ASP   9           HB3      ASP   9 -15.175   5.275  -7.586
   65    H    VAL  10           H        VAL  10 -15.352   3.723  -3.903
   66    HA   VAL  10           HA       VAL  10 -13.327   1.957  -4.829
   67    HB   VAL  10           HB       VAL  10 -14.722   2.002  -2.123
   68   HG11  VAL  10          HG11      VAL  10 -11.970   1.023  -2.993
   69   HG12  VAL  10          HG12      VAL  10 -12.513   1.173  -1.301
   70   HG13  VAL  10          HG13      VAL  10 -13.304   0.014  -2.378
   71   HG21  VAL  10          HG21      VAL  10 -12.856   3.514  -1.467
   72   HG22  VAL  10          HG22      VAL  10 -12.288   3.532  -3.151
   73   HG23  VAL  10          HG23      VAL  10 -13.877   4.229  -2.722
   74    H    GLU  11           H        GLU  11 -16.758   1.520  -4.419
   75    HA   GLU  11           HA       GLU  11 -16.759  -1.358  -4.167
   76    HB2  GLU  11           HB2      GLU  11 -18.938   0.572  -5.074
   77    HB3  GLU  11           HB3      GLU  11 -19.173  -1.116  -4.588
   78    HG2  GLU  11           HG2      GLU  11 -18.220  -0.574  -2.345
   79    HG3  GLU  11           HG3      GLU  11 -18.081   1.122  -2.833
   80    H    GLY  12           H        GLY  12 -15.708   0.509  -6.653
   81    HA2  GLY  12           HA2      GLY  12 -16.358  -1.559  -8.685
   82    HA3  GLY  12           HA3      GLY  12 -16.654   0.162  -9.045
   83    H    MET  13           H        MET  13 -13.957  -0.510  -6.975
   84    HA   MET  13           HA       MET  13 -12.003  -0.596  -9.195
   85    HB2  MET  13           HB2      MET  13 -12.044   1.493  -6.981
   86    HB3  MET  13           HB3      MET  13 -10.709   1.230  -8.127
   87    HG2  MET  13           HG2      MET  13 -12.316   1.701  -9.998
   88    HG3  MET  13           HG3      MET  13 -13.521   2.162  -8.784
   89    HE1  MET  13           HE1      MET  13 -11.829   5.305  -7.102
   90    HE2  MET  13           HE2      MET  13 -13.201   4.173  -7.079
   91    HE3  MET  13           HE3      MET  13 -11.578   3.621  -6.594
   92    H    THR  14           H        THR  14  -9.709  -0.781  -8.165
   93    HA   THR  14           HA       THR  14  -9.653  -2.982  -6.332
   94    HB   THR  14           HB       THR  14  -7.355  -1.098  -6.929
   95   HG21  THR  14          HG21      THR  14  -6.823  -2.903  -5.358
   96   HG22  THR  14          HG22      THR  14  -7.554  -4.106  -6.447
   97   HG23  THR  14          HG23      THR  14  -6.076  -3.246  -6.926
   98    H    SER  15           H        SER  15  -8.277  -2.811  -4.232
   99    HA   SER  15           HA       SER  15  -8.639  -0.311  -2.740
  100    HB2  SER  15           HB2      SER  15 -10.061  -1.446  -1.018
  101    HB3  SER  15           HB3      SER  15 -10.874  -1.251  -2.575
  102    HG   SER  15           HG       SER  15 -11.128  -3.361  -1.733
  103    H    LEU  16           H        LEU  16  -6.182  -1.156  -3.212
  104    HA   LEU  16           HA       LEU  16  -5.294  -3.308  -1.515
  105    HB2  LEU  16           HB2      LEU  16  -4.135  -2.391  -3.602
  106    HB3  LEU  16           HB3      LEU  16  -3.714  -0.960  -2.639
  107    HG   LEU  16           HG       LEU  16  -2.558  -2.546  -0.993
  108   HD11  LEU  16          HD11      LEU  16  -1.953  -4.779  -1.848
  109   HD12  LEU  16          HD12      LEU  16  -3.719  -4.636  -1.733
  110   HD13  LEU  16          HD13      LEU  16  -2.908  -4.503  -3.314
  111   HD21  LEU  16          HD21      LEU  16  -1.281  -1.235  -2.598
  112   HD22  LEU  16          HD22      LEU  16  -0.587  -2.872  -2.481
  113   HD23  LEU  16          HD23      LEU  16  -1.605  -2.437  -3.870
  114    H    LYS  17           H        LYS  17  -4.194  -3.122   0.510
  115    HA   LYS  17           HA       LYS  17  -4.276  -0.459   1.785
  116    HB2  LYS  17           HB2      LYS  17  -5.938  -1.532   2.952
  117    HB3  LYS  17           HB3      LYS  17  -5.216  -3.142   2.758
  118    HG2  LYS  17           HG2      LYS  17  -3.551  -2.658   4.472
  119    HG3  LYS  17           HG3      LYS  17  -4.162  -0.991   4.649
  120    HD2  LYS  17           HD2      LYS  17  -6.330  -1.852   5.398
  121    HD3  LYS  17           HD3      LYS  17  -5.812  -3.510   5.067
  122    HE2  LYS  17           HE2      LYS  17  -5.630  -3.142   7.438
  123    HE3  LYS  17           HE3      LYS  17  -3.995  -3.267   6.776
  124    HZ1  LYS  17           HZ1      LYS  17  -3.856  -0.871   6.855
  125    HZ2  LYS  17           HZ2      LYS  17  -5.402  -0.755   7.413
  126    HZ3  LYS  17           HZ3      LYS  17  -4.233  -1.459   8.332
  127    H    VAL  18           H        VAL  18  -2.581  -0.083   3.349
  128    HA   VAL  18           HA       VAL  18  -0.223  -1.924   3.285
  129    HB   VAL  18           HB       VAL  18  -0.349   1.077   2.903
  130   HG11  VAL  18          HG11      VAL  18   2.116  -0.707   3.081
  131   HG12  VAL  18          HG12      VAL  18   2.101   1.041   2.720
  132   HG13  VAL  18          HG13      VAL  18   1.574   0.466   4.303
  133   HG21  VAL  18          HG21      VAL  18   0.658   0.734   0.718
  134   HG22  VAL  18          HG22      VAL  18   0.690  -1.024   0.963
  135   HG23  VAL  18          HG23      VAL  18  -0.864  -0.168   0.829
  136    H    ASP  19           H        ASP  19   0.766  -2.087   5.296
  137    HA   ASP  19           HA       ASP  19   0.088  -0.231   7.462
  138    HB2  ASP  19           HB2      ASP  19  -0.986  -1.951   8.833
  139    HB3  ASP  19           HB3      ASP  19  -1.874  -1.745   7.312
  140    H    ASN  20           H        ASN  20   0.890  -1.234   9.620
  141    HA   ASN  20           HA       ASN  20   2.329  -2.284  10.961
  142    HB2  ASN  20           HB2      ASN  20   2.305  -4.141   9.116
  143    HB3  ASN  20           HB3      ASN  20   3.926  -3.531   8.743
  144   HD21  ASN  20          HD22      ASN  20   5.615  -4.247  10.026
  145   HD22  ASN  20          HD21      ASN  20   5.397  -5.168  11.500
  146    H    LEU  21           H        LEU  21   2.853   0.358   9.457
  147    HA   LEU  21           HA       LEU  21   5.621   0.710   9.129
  148    HB2  LEU  21           HB2      LEU  21   5.100   3.115   9.310
  149    HB3  LEU  21           HB3      LEU  21   4.016   2.235   8.243
  150    HG   LEU  21           HG       LEU  21   2.313   2.148  10.100
  151   HD11  LEU  21          HD11      LEU  21   4.108   4.258  11.369
  152   HD12  LEU  21          HD12      LEU  21   2.446   3.879  11.858
  153   HD13  LEU  21          HD13      LEU  21   3.713   2.673  12.092
  154   HD21  LEU  21          HD21      LEU  21   2.208   3.708   8.258
  155   HD22  LEU  21          HD22      LEU  21   1.641   4.501   9.752
  156   HD23  LEU  21          HD23      LEU  21   3.260   4.867   9.122
  157    H    THR  22           H        THR  22   6.930   2.345  10.413
  158    HA   THR  22           HA       THR  22   7.388   1.156  13.043
  159    HB   THR  22           HB       THR  22   9.394   2.522  13.046
  160   HG21  THR  22          HG21      THR  22   8.851   1.488  10.231
  161   HG22  THR  22          HG22      THR  22  10.445   1.894  10.901
  162   HG23  THR  22          HG23      THR  22   9.508   0.551  11.597
  163    H    TYR  23           H        TYR  23   7.950   2.651  14.911
  164    HA   TYR  23           HA       TYR  23   5.741   4.396  15.484
  165    HB2  TYR  23           HB2      TYR  23   6.835   4.721  17.613
  166    HB3  TYR  23           HB3      TYR  23   6.889   3.012  17.168
  167    HD1  TYR  23           HD2      TYR  23   9.055   2.002  16.372
  168    HD2  TYR  23           HD1      TYR  23   8.811   5.987  17.967
  169    HE1  TYR  23           HE2      TYR  23  11.523   2.021  16.700
  170    HE2  TYR  23           HE1      TYR  23  11.274   6.008  18.301
  171    HH   TYR  23           HH       TYR  23  13.232   4.854  18.070
  172    H    ARG  24           H        ARG  24   8.009   4.985  13.291
  173    HA   ARG  24           HA       ARG  24   8.318   7.867  13.989
  174    HB2  ARG  24           HB2      ARG  24  10.378   5.983  12.771
  175    HB3  ARG  24           HB3      ARG  24  10.588   7.736  12.948
  176    HG2  ARG  24           HG2      ARG  24  10.253   5.722  15.205
  177    HG3  ARG  24           HG3      ARG  24  11.769   6.496  14.714
  178    HD2  ARG  24           HD2      ARG  24   9.304   7.936  15.749
  179    HD3  ARG  24           HD3      ARG  24  10.767   7.595  16.694
  180    HE   ARG  24           HE       ARG  24  11.622   8.988  14.413
  181   HH11  ARG  24          HH11      ARG  24   9.530   9.578  17.198
  182   HH12  ARG  24          HH12      ARG  24   9.813  11.299  17.199
  183   HH21  ARG  24          HH21      ARG  24  11.956  11.243  14.403
  184   HH22  ARG  24          HH22      ARG  24  11.189  12.239  15.614
  185    H    THR  25           H        THR  25   7.186   5.559  11.739
  186    HA   THR  25           HA       THR  25   7.646   7.085   9.324
  187    HB   THR  25           HB       THR  25   5.531   4.997   9.983
  188   HG21  THR  25          HG21      THR  25   6.581   6.064   7.328
  189   HG22  THR  25          HG22      THR  25   5.634   4.570   7.507
  190   HG23  THR  25          HG23      THR  25   4.899   6.115   7.934
  191    H    SER  26           H        SER  26   5.871   8.101   8.053
  192    HA   SER  26           HA       SER  26   3.636   9.197   9.658
  193    HB2  SER  26           HB2      SER  26   5.675  10.852   8.105
  194    HB3  SER  26           HB3      SER  26   4.167  11.491   8.790
  195    HG   SER  26           HG       SER  26   5.936  11.797  10.189
  196    HA   PRO  27           HA       PRO  27   1.452   8.375   6.002
  197    HB2  PRO  27           HB2      PRO  27  -0.572  10.209   5.983
  198    HB3  PRO  27           HB3      PRO  27  -0.449   8.911   7.206
  199    HG2  PRO  27           HG2      PRO  27   0.447  11.794   7.460
  200    HG3  PRO  27           HG3      PRO  27  -0.517  10.828   8.625
  201    HD2  PRO  27           HD2      PRO  27   2.186  11.178   8.881
  202    HD3  PRO  27           HD3      PRO  27   1.395   9.649   9.349
  203    H    ASP  28           H        ASP  28   2.955  11.552   6.292
  204    HA   ASP  28           HA       ASP  28   2.404  12.336   3.538
  205    HB2  ASP  28           HB2      ASP  28   2.967  13.974   5.322
  206    HB3  ASP  28           HB3      ASP  28   4.562  13.213   5.505
  207    H    THR  29           H        THR  29   4.791  10.436   5.320
  208    HA   THR  29           HA       THR  29   6.777  10.414   3.227
  209    HB   THR  29           HB       THR  29   6.501   8.139   5.172
  210   HG21  THR  29          HG21      THR  29   8.810   9.919   4.284
  211   HG22  THR  29          HG22      THR  29   8.944   8.477   5.325
  212   HG23  THR  29          HG23      THR  29   8.422   8.309   3.635
  213    H    LEU  30           H        LEU  30   4.256   8.128   4.383
  214    HA   LEU  30           HA       LEU  30   4.754   6.139   2.408
  215    HB2  LEU  30           HB2      LEU  30   2.165   6.784   3.870
  216    HB3  LEU  30           HB3      LEU  30   2.560   5.283   3.014
  217    HG   LEU  30           HG       LEU  30   4.158   6.345   5.382
  218   HD11  LEU  30          HD11      LEU  30   2.980   4.687   6.688
  219   HD12  LEU  30          HD12      LEU  30   1.804   5.824   5.965
  220   HD13  LEU  30          HD13      LEU  30   2.011   4.195   5.276
  221   HD21  LEU  30          HD21      LEU  30   5.405   4.789   3.883
  222   HD22  LEU  30          HD22      LEU  30   5.030   4.034   5.443
  223   HD23  LEU  30          HD23      LEU  30   4.072   3.623   4.004
  224    H    ARG  31           H        ARG  31   2.813   9.110   2.375
  225    HA   ARG  31           HA       ARG  31   1.224   8.500   0.076
  226    HB2  ARG  31           HB2      ARG  31   0.606  10.384   1.417
  227    HB3  ARG  31           HB3      ARG  31   2.236  11.054   1.379
  228    HG2  ARG  31           HG2      ARG  31   0.810  12.393  -0.050
  229    HG3  ARG  31           HG3      ARG  31   2.008  11.547  -1.033
  230    HD2  ARG  31           HD2      ARG  31   0.186   9.736  -1.363
  231    HD3  ARG  31           HD3      ARG  31  -0.947  10.945  -0.735
  232    HE   ARG  31           HE       ARG  31   0.680  11.150  -3.231
  233   HH11  ARG  31          HH11      ARG  31  -1.960  12.422  -1.235
  234   HH12  ARG  31          HH12      ARG  31  -2.552  13.457  -2.512
  235   HH21  ARG  31          HH21      ARG  31  -0.090  12.485  -4.817
  236   HH22  ARG  31          HH22      ARG  31  -1.492  13.507  -4.542
  237    H    ARG  32           H        ARG  32   4.439  10.001   0.421
  238    HA   ARG  32           HA       ARG  32   4.724  10.315  -2.486
  239    HB2  ARG  32           HB2      ARG  32   5.585  11.943  -0.852
  240    HB3  ARG  32           HB3      ARG  32   6.564  10.686  -0.074
  241    HG2  ARG  32           HG2      ARG  32   7.871  10.445  -2.187
  242    HG3  ARG  32           HG3      ARG  32   6.932  11.797  -2.884
  243    HD2  ARG  32           HD2      ARG  32   8.606  11.900  -0.335
  244    HD3  ARG  32           HD3      ARG  32   9.120  12.518  -1.907
  245    HE   ARG  32           HE       ARG  32   7.560  14.292  -1.772
  246   HH11  ARG  32          HH11      ARG  32   7.514  12.301   1.159
  247   HH12  ARG  32          HH12      ARG  32   6.627  13.508   2.075
  248   HH21  ARG  32          HH21      ARG  32   6.456  15.824  -0.530
  249   HH22  ARG  32          HH22      ARG  32   6.053  15.480   1.136
  250    H    VAL  33           H        VAL  33   5.960   8.180   0.054
  251    HA   VAL  33           HA       VAL  33   7.862   6.710  -1.456
  252    HB   VAL  33           HB       VAL  33   6.159   6.166   0.987
  253   HG11  VAL  33          HG11      VAL  33   8.225   4.280  -0.183
  254   HG12  VAL  33          HG12      VAL  33   7.459   4.146   1.425
  255   HG13  VAL  33          HG13      VAL  33   6.466   3.979  -0.031
  256   HG21  VAL  33          HG21      VAL  33   8.100   7.771   1.070
  257   HG22  VAL  33          HG22      VAL  33   8.283   6.360   2.146
  258   HG23  VAL  33          HG23      VAL  33   9.170   6.435   0.605
  259    H    PHE  34           H        PHE  34   4.300   6.366  -1.197
  260    HA   PHE  34           HA       PHE  34   4.441   3.875  -2.796
  261    HB2  PHE  34           HB2      PHE  34   2.399   5.186  -1.028
  262    HB3  PHE  34           HB3      PHE  34   1.896   3.989  -2.218
  263    HD1  PHE  34           HD1      PHE  34   4.098   4.466   0.760
  264    HD2  PHE  34           HD2      PHE  34   2.265   1.668  -1.930
  265    HE1  PHE  34           HE1      PHE  34   4.793   2.594   2.235
  266    HE2  PHE  34           HE2      PHE  34   2.939  -0.206  -0.445
  267    HZ   PHE  34           HZ       PHE  34   4.217   0.258   1.631
  268    H    GLU  35           H        GLU  35   3.952   7.197  -3.217
  269    HA   GLU  35           HA       GLU  35   1.966   7.185  -5.273
  270    HB2  GLU  35           HB2      GLU  35   2.588   9.214  -4.073
  271    HB3  GLU  35           HB3      GLU  35   4.238   9.140  -4.725
  272    HG2  GLU  35           HG2      GLU  35   3.426   9.619  -6.944
  273    HG3  GLU  35           HG3      GLU  35   1.741   9.347  -6.449
  274    H    LYS  36           H        LYS  36   5.354   6.325  -5.309
  275    HA   LYS  36           HA       LYS  36   5.749   6.769  -8.137
  276    HB2  LYS  36           HB2      LYS  36   7.924   5.841  -7.764
  277    HB3  LYS  36           HB3      LYS  36   7.481   6.807  -6.334
  278    HG2  LYS  36           HG2      LYS  36   6.834   4.729  -5.143
  279    HG3  LYS  36           HG3      LYS  36   7.311   3.774  -6.561
  280    HD2  LYS  36           HD2      LYS  36   9.098   3.732  -4.917
  281    HD3  LYS  36           HD3      LYS  36   9.626   4.625  -6.356
  282    HE2  LYS  36           HE2      LYS  36   9.162   6.762  -5.207
  283    HE3  LYS  36           HE3      LYS  36   8.572   5.878  -3.788
  284    HZ1  LYS  36           HZ1      LYS  36  10.857   6.578  -3.526
  285    HZ2  LYS  36           HZ2      LYS  36  10.775   4.941  -3.552
  286    HZ3  LYS  36           HZ3      LYS  36  11.310   5.754  -4.873
  287    H    TYR  37           H        TYR  37   4.383   4.224  -6.229
  288    HA   TYR  37           HA       TYR  37   4.888   2.104  -8.163
  289    HB2  TYR  37           HB2      TYR  37   3.031   2.269  -5.760
  290    HB3  TYR  37           HB3      TYR  37   3.275   0.820  -6.734
  291    HD1  TYR  37           HD1      TYR  37   5.083   3.297  -4.620
  292    HD2  TYR  37           HD2      TYR  37   5.070  -0.638  -6.337
  293    HE1  TYR  37           HE1      TYR  37   7.137   2.743  -3.340
  294    HE2  TYR  37           HE2      TYR  37   7.107  -1.217  -5.046
  295    HH   TYR  37           HH       TYR  37   8.759   1.145  -2.926
  296    H    GLY  38           H        GLY  38   2.590   4.697  -7.928
  297    HA2  GLY  38           HA2      GLY  38   1.757   4.590 -10.489
  298    HA3  GLY  38           HA3      GLY  38   0.732   3.330  -9.786
  299    H    ARG  39           H        ARG  39  -0.588   4.000  -7.820
  300    HA   ARG  39           HA       ARG  39  -1.121   6.876  -7.648
  301    HB2  ARG  39           HB2      ARG  39  -3.474   6.709  -8.159
  302    HB3  ARG  39           HB3      ARG  39  -2.482   6.261  -9.550
  303    HG2  ARG  39           HG2      ARG  39  -2.903   3.859  -9.099
  304    HG3  ARG  39           HG3      ARG  39  -3.951   4.298  -7.733
  305    HD2  ARG  39           HD2      ARG  39  -4.413   5.049 -10.631
  306    HD3  ARG  39           HD3      ARG  39  -5.300   3.843  -9.678
  307    HE   ARG  39           HE       ARG  39  -5.294   6.532  -8.529
  308   HH11  ARG  39          HH11      ARG  39  -6.976   4.273 -10.679
  309   HH12  ARG  39          HH12      ARG  39  -8.507   5.104 -10.544
  310   HH21  ARG  39          HH21      ARG  39  -7.307   7.592  -8.378
  311   HH22  ARG  39          HH22      ARG  39  -8.698   6.975  -9.233
  312    H    VAL  40           H        VAL  40  -0.635   6.969  -5.582
  313    HA   VAL  40           HA       VAL  40  -1.859   5.309  -3.538
  314    HB   VAL  40           HB       VAL  40   0.295   6.287  -3.220
  315   HG11  VAL  40          HG11      VAL  40   0.024   8.306  -4.633
  316   HG12  VAL  40          HG12      VAL  40  -1.019   9.037  -3.391
  317   HG13  VAL  40          HG13      VAL  40   0.685   8.689  -3.041
  318   HG21  VAL  40          HG21      VAL  40  -1.311   5.998  -1.285
  319   HG22  VAL  40          HG22      VAL  40   0.048   7.118  -1.008
  320   HG23  VAL  40          HG23      VAL  40  -1.581   7.748  -1.321
  321    H    GLY  41           H        GLY  41  -3.879   5.797  -5.007
  322    HA2  GLY  41           HA2      GLY  41  -5.237   8.214  -5.120
  323    HA3  GLY  41           HA3      GLY  41  -6.001   6.614  -5.157
  324    H    ASP  42           H        ASP  42  -4.838   6.204  -2.263
  325    HA   ASP  42           HA       ASP  42  -6.190   8.299  -0.756
  326    HB2  ASP  42           HB2      ASP  42  -7.992   6.612  -1.428
  327    HB3  ASP  42           HB3      ASP  42  -7.165   5.448  -0.387
  328    H    VAL  43           H        VAL  43  -5.743   8.110   1.561
  329    HA   VAL  43           HA       VAL  43  -3.823   6.111   2.486
  330    HB   VAL  43           HB       VAL  43  -2.278   7.488   1.309
  331   HG11  VAL  43          HG11      VAL  43  -3.652   9.492   0.951
  332   HG12  VAL  43          HG12      VAL  43  -3.545   9.894   2.671
  333   HG13  VAL  43          HG13      VAL  43  -2.085   9.926   1.657
  334   HG21  VAL  43          HG21      VAL  43  -1.587   6.804   3.596
  335   HG22  VAL  43          HG22      VAL  43  -0.845   8.337   3.096
  336   HG23  VAL  43          HG23      VAL  43  -2.200   8.343   4.235
  337    H    TYR  44           H        TYR  44  -4.181   5.769   4.631
  338    HA   TYR  44           HA       TYR  44  -5.192   8.032   6.253
  339    HB2  TYR  44           HB2      TYR  44  -7.114   6.783   5.214
  340    HB3  TYR  44           HB3      TYR  44  -6.669   5.422   6.255
  341    HD1  TYR  44           HD2      TYR  44  -6.914   9.174   6.629
  342    HD2  TYR  44           HD1      TYR  44  -8.013   5.305   8.155
  343    HE1  TYR  44           HE2      TYR  44  -8.051  10.258   8.546
  344    HE2  TYR  44           HE1      TYR  44  -9.197   6.380  10.046
  345    HH   TYR  44           HH       TYR  44  -9.689   8.384  11.113
  346    H    ILE  45           H        ILE  45  -5.001   7.733   8.488
  347    HA   ILE  45           HA       ILE  45  -3.763   5.281   9.568
  348    HB   ILE  45           HB       ILE  45  -2.565   8.040   9.977
  349   HG12  ILE  45          HG12      ILE  45  -1.461   5.481   8.735
  350   HG13  ILE  45          HG13      ILE  45  -1.826   6.993   7.874
  351   HG21  ILE  45          HG21      ILE  45  -2.738   6.570  12.044
  352   HG22  ILE  45          HG22      ILE  45  -1.846   5.321  11.171
  353   HG23  ILE  45          HG23      ILE  45  -1.065   6.878  11.558
  354   HD11  ILE  45          HD11      ILE  45   0.556   6.872   8.267
  355   HD12  ILE  45          HD12      ILE  45  -0.112   8.141   9.315
  356   HD13  ILE  45          HD13      ILE  45   0.321   6.549   9.995
  357    HA   PRO  46           HA       PRO  46  -7.460   6.796  11.679
  358    HB2  PRO  46           HB2      PRO  46  -7.342   4.074  12.925
  359    HB3  PRO  46           HB3      PRO  46  -8.709   4.847  12.070
  360    HG2  PRO  46           HG2      PRO  46  -7.238   2.850  10.908
  361    HG3  PRO  46           HG3      PRO  46  -7.823   4.255   9.956
  362    HD2  PRO  46           HD2      PRO  46  -5.064   3.810  11.083
  363    HD3  PRO  46           HD3      PRO  46  -5.570   4.442   9.484
  364    H    ARG  47           H        ARG  47  -4.616   5.629  13.172
  365    HA   ARG  47           HA       ARG  47  -4.090   5.131  15.427
  366    HB2  ARG  47           HB2      ARG  47  -4.817   8.088  15.436
  367    HB3  ARG  47           HB3      ARG  47  -4.026   7.244  16.782
  368    HG2  ARG  47           HG2      ARG  47  -2.116   7.901  15.788
  369    HG3  ARG  47           HG3      ARG  47  -2.390   6.483  14.764
  370    HD2  ARG  47           HD2      ARG  47  -1.954   8.211  13.241
  371    HD3  ARG  47           HD3      ARG  47  -3.734   8.108  13.253
  372    HE   ARG  47           HE       ARG  47  -2.547  10.052  15.114
  373   HH11  ARG  47          HH11      ARG  47  -3.947   9.489  11.915
  374   HH12  ARG  47          HH12      ARG  47  -4.198  11.185  11.598
  375   HH21  ARG  47          HH21      ARG  47  -2.884  12.251  14.683
  376   HH22  ARG  47          HH22      ARG  47  -3.624  12.752  13.179
  377    H    ASP  48           H        ASP  48  -5.976   7.444  16.982
  378    HA   ASP  48           HA       ASP  48  -8.421   5.823  17.332
  379    HB2  ASP  48           HB2      ASP  48  -6.534   6.702  19.551
  380    HB3  ASP  48           HB3      ASP  48  -8.228   6.260  19.826
  381    H    ARG  49           H        ARG  49 -10.128   7.266  17.282
  382    HA   ARG  49           HA       ARG  49  -9.427   9.960  16.588
  383    HB2  ARG  49           HB2      ARG  49 -11.687  10.228  15.966
  384    HB3  ARG  49           HB3      ARG  49 -11.217   8.586  15.526
  385    HG2  ARG  49           HG2      ARG  49 -12.326   7.759  17.638
  386    HG3  ARG  49           HG3      ARG  49 -12.866   9.416  17.956
  387    HD2  ARG  49           HD2      ARG  49 -13.575   7.681  15.554
  388    HD3  ARG  49           HD3      ARG  49 -14.663   8.190  16.839
  389    HE   ARG  49           HE       ARG  49 -13.919   9.681  14.480
  390   HH11  ARG  49          HH11      ARG  49 -14.811  10.105  17.864
  391   HH12  ARG  49          HH12      ARG  49 -15.357  11.755  17.631
  392   HH21  ARG  49          HH21      ARG  49 -14.632  11.771  14.188
  393   HH22  ARG  49          HH22      ARG  49 -15.251  12.705  15.538
  394    H    TYR  50           H        TYR  50  -8.953   9.101  19.459
  395    HA   TYR  50           HA       TYR  50 -10.211  11.511  20.691
  396    HB2  TYR  50           HB2      TYR  50  -9.781   8.957  22.226
  397    HB3  TYR  50           HB3      TYR  50 -10.777  10.345  22.668
  398    HD1  TYR  50           HD2      TYR  50 -12.928  10.745  21.255
  399    HD2  TYR  50           HD1      TYR  50 -10.662   7.090  21.188
  400    HE1  TYR  50           HE2      TYR  50 -14.914   9.530  20.384
  401    HE2  TYR  50           HE1      TYR  50 -12.615   5.872  20.320
  402    HH   TYR  50           HH       TYR  50 -14.816   6.027  19.640
  403    H    THR  51           H        THR  51  -7.408   9.788  19.928
  404    HA   THR  51           HA       THR  51  -5.805  11.354  21.883
  405    HB   THR  51           HB       THR  51  -4.501   9.448  22.515
  406   HG21  THR  51          HG21      THR  51  -7.405   8.498  22.545
  407   HG22  THR  51          HG22      THR  51  -6.099   7.995  23.637
  408   HG23  THR  51          HG23      THR  51  -6.711   9.661  23.700
  409    H    LYS  52           H        LYS  52  -6.102   9.524  18.873
  410    HA   LYS  52           HA       LYS  52  -5.046   9.537  16.949
  411    HB2  LYS  52           HB2      LYS  52  -4.680  12.486  17.607
  412    HB3  LYS  52           HB3      LYS  52  -4.685  11.763  15.991
  413    HG2  LYS  52           HG2      LYS  52  -7.021  10.951  16.390
  414    HG3  LYS  52           HG3      LYS  52  -7.006  11.745  17.974
  415    HD2  LYS  52           HD2      LYS  52  -8.134  13.207  16.441
  416    HD3  LYS  52           HD3      LYS  52  -6.564  13.924  16.834
  417    HE2  LYS  52           HE2      LYS  52  -6.952  14.152  14.452
  418    HE3  LYS  52           HE3      LYS  52  -5.642  12.995  14.692
  419    HZ1  LYS  52           HZ1      LYS  52  -7.246  11.226  14.372
  420    HZ2  LYS  52           HZ2      LYS  52  -8.461  12.318  14.167
  421    HZ3  LYS  52           HZ3      LYS  52  -7.245  12.236  13.071
  422    H    GLU  53           H        GLU  53  -3.252   8.697  19.061
  423    HA   GLU  53           HA       GLU  53  -0.685   9.591  17.848
  424    HB2  GLU  53           HB2      GLU  53   0.316   9.887  20.042
  425    HB3  GLU  53           HB3      GLU  53  -1.116  10.917  19.885
  426    HG2  GLU  53           HG2      GLU  53  -2.454   9.256  21.150
  427    HG3  GLU  53           HG3      GLU  53  -1.033   8.215  21.293
  428    H    SER  54           H        SER  54  -2.517   6.953  18.094
  429    HA   SER  54           HA       SER  54  -0.928   5.032  19.435
  430    HB2  SER  54           HB2      SER  54  -3.259   4.668  18.694
  431    HB3  SER  54           HB3      SER  54  -2.727   4.706  17.000
  432    HG   SER  54           HG       SER  54  -1.944   2.845  18.998
  433    H    ARG  55           H        ARG  55  -0.657   6.437  16.231
  434    HA   ARG  55           HA       ARG  55   0.745   5.930  14.444
  435    HB2  ARG  55           HB2      ARG  55   1.511   7.817  15.922
  436    HB3  ARG  55           HB3      ARG  55   2.693   6.705  16.636
  437    HG2  ARG  55           HG2      ARG  55   3.609   6.299  14.301
  438    HG3  ARG  55           HG3      ARG  55   2.465   7.518  13.699
  439    HD2  ARG  55           HD2      ARG  55   3.425   9.129  15.376
  440    HD3  ARG  55           HD3      ARG  55   4.661   7.912  15.767
  441    HE   ARG  55           HE       ARG  55   4.650   8.376  12.940
  442   HH11  ARG  55          HH11      ARG  55   5.558   9.953  15.965
  443   HH12  ARG  55          HH12      ARG  55   6.766  10.966  15.204
  444   HH21  ARG  55          HH21      ARG  55   6.186   9.727  11.979
  445   HH22  ARG  55          HH22      ARG  55   7.140  10.825  12.949
  446    H    GLY  56           H        GLY  56   0.417   3.598  14.352
  447    HA2  GLY  56           HA2      GLY  56   3.012   2.206  14.556
  448    HA3  GLY  56           HA3      GLY  56   1.690   1.527  15.531
  449    H    PHE  57           H        PHE  57   0.160   2.792  12.828
  450    HA   PHE  57           HA       PHE  57   0.875   0.729  10.910
  451    HB2  PHE  57           HB2      PHE  57  -1.154  -0.462  10.897
  452    HB3  PHE  57           HB3      PHE  57  -0.646  -0.440  12.583
  453    HD1  PHE  57           HD2      PHE  57  -1.736   1.276  14.148
  454    HD2  PHE  57           HD1      PHE  57  -3.222   0.404  10.214
  455    HE1  PHE  57           HE2      PHE  57  -3.909   2.287  14.753
  456    HE2  PHE  57           HE1      PHE  57  -5.391   1.408  10.801
  457    HZ   PHE  57           HZ       PHE  57  -5.760   2.347  13.082
  458    H    ALA  58           H        ALA  58  -0.961   0.837   9.086
  459    HA   ALA  58           HA       ALA  58  -2.111   3.517   8.800
  460    HB1  ALA  58           HB1      ALA  58   0.121   2.516   6.971
  461    HB2  ALA  58           HB2      ALA  58  -0.890   3.931   6.638
  462    HB3  ALA  58           HB3      ALA  58   0.177   3.939   8.046
  463    H    PHE  59           H        PHE  59  -2.826   3.665   6.344
  464    HA   PHE  59           HA       PHE  59  -3.917   1.157   5.269
  465    HB2  PHE  59           HB2      PHE  59  -5.419   2.341   7.090
  466    HB3  PHE  59           HB3      PHE  59  -5.784   3.476   5.798
  467    HD1  PHE  59           HD2      PHE  59  -5.790   1.448   3.466
  468    HD2  PHE  59           HD1      PHE  59  -7.465   1.313   7.426
  469    HE1  PHE  59           HE2      PHE  59  -7.511  -0.152   2.681
  470    HE2  PHE  59           HE1      PHE  59  -9.173  -0.293   6.648
  471    HZ   PHE  59           HZ       PHE  59  -9.199  -1.041   4.273
  472    H    VAL  60           H        VAL  60  -1.865   2.433   4.102
  473    HA   VAL  60           HA       VAL  60  -2.731   4.514   2.256
  474    HB   VAL  60           HB       VAL  60  -0.529   2.534   1.637
  475   HG11  VAL  60          HG11      VAL  60  -1.105   4.130  -0.083
  476   HG12  VAL  60          HG12      VAL  60  -0.921   5.484   1.064
  477   HG13  VAL  60          HG13      VAL  60   0.488   4.506   0.595
  478   HG21  VAL  60          HG21      VAL  60   1.044   3.909   2.894
  479   HG22  VAL  60          HG22      VAL  60  -0.270   4.973   3.458
  480   HG23  VAL  60          HG23      VAL  60  -0.180   3.279   4.008
  481    H    ARG  61           H        ARG  61  -3.480   4.199   0.019
  482    HA   ARG  61           HA       ARG  61  -4.151   1.408  -0.617
  483    HB2  ARG  61           HB2      ARG  61  -6.035   1.921   0.698
  484    HB3  ARG  61           HB3      ARG  61  -6.115   3.585   0.122
  485    HG2  ARG  61           HG2      ARG  61  -7.053   2.919  -1.983
  486    HG3  ARG  61           HG3      ARG  61  -6.700   1.206  -1.684
  487    HD2  ARG  61           HD2      ARG  61  -9.106   1.858  -1.334
  488    HD3  ARG  61           HD3      ARG  61  -8.316   1.040   0.030
  489    HE   ARG  61           HE       ARG  61  -8.434   4.012   0.018
  490   HH11  ARG  61          HH11      ARG  61  -9.581   0.942   1.351
  491   HH12  ARG  61          HH12      ARG  61 -10.157   1.686   2.828
  492   HH21  ARG  61          HH21      ARG  61  -9.186   4.923   1.952
  493   HH22  ARG  61          HH22      ARG  61  -9.949   3.907   3.159
  494    H    PHE  62           H        PHE  62  -4.953   0.957  -2.585
  495    HA   PHE  62           HA       PHE  62  -4.479   3.005  -4.723
  496    HB2  PHE  62           HB2      PHE  62  -3.749   0.050  -4.731
  497    HB3  PHE  62           HB3      PHE  62  -3.643   1.119  -6.126
  498    HD1  PHE  62           HD1      PHE  62  -2.392   0.861  -2.577
  499    HD2  PHE  62           HD2      PHE  62  -1.640   2.168  -6.608
  500    HE1  PHE  62           HE1      PHE  62  -0.121   1.538  -1.925
  501    HE2  PHE  62           HE2      PHE  62   0.665   2.810  -5.958
  502    HZ   PHE  62           HZ       PHE  62   1.432   2.502  -3.628
  503    H    HIS  63           H        HIS  63  -5.549   2.410  -6.818
  504    HA   HIS  63           HA       HIS  63  -8.152   1.047  -6.342
  505    HB2  HIS  63           HB2      HIS  63  -7.727   3.686  -7.766
  506    HB3  HIS  63           HB3      HIS  63  -9.272   2.852  -7.566
  507    HD2  HIS  63           HD2      HIS  63  -7.370   5.566  -6.124
  508    HE1  HIS  63           HE1      HIS  63  -9.666   4.187  -2.819
  509    HE2  HIS  63           HE2      HIS  63  -8.207   6.086  -3.677
  510    H    ASP  64           H        ASP  64  -5.398   0.770  -8.071
  511    HA   ASP  64           HA       ASP  64  -6.902  -0.535 -10.283
  512    HB2  ASP  64           HB2      ASP  64  -4.569   1.381 -10.511
  513    HB3  ASP  64           HB3      ASP  64  -4.817   0.107 -11.716
  514    H    LYS  65           H        LYS  65  -6.275  -2.555 -10.711
  515    HA   LYS  65           HA       LYS  65  -4.869  -3.871  -8.635
  516    HB2  LYS  65           HB2      LYS  65  -5.304  -5.883  -9.885
  517    HB3  LYS  65           HB3      LYS  65  -6.723  -4.832  -9.950
  518    HG2  LYS  65           HG2      LYS  65  -5.942  -4.015 -12.210
  519    HG3  LYS  65           HG3      LYS  65  -4.641  -5.218 -12.148
  520    HD2  LYS  65           HD2      LYS  65  -7.630  -5.780 -12.075
  521    HD3  LYS  65           HD3      LYS  65  -6.547  -6.065 -13.446
  522    HE2  LYS  65           HE2      LYS  65  -6.340  -7.402 -10.716
  523    HE3  LYS  65           HE3      LYS  65  -7.056  -8.130 -12.170
  524    HZ1  LYS  65           HZ1      LYS  65  -4.246  -7.337 -11.839
  525    HZ2  LYS  65           HZ2      LYS  65  -4.832  -8.867 -11.916
  526    HZ3  LYS  65           HZ3      LYS  65  -4.902  -7.893 -13.241
  527    H    ARG  66           H        ARG  66  -3.698  -2.791 -11.857
  528    HA   ARG  66           HA       ARG  66  -1.419  -4.550 -11.775
  529    HB2  ARG  66           HB2      ARG  66  -0.616  -3.282 -13.673
  530    HB3  ARG  66           HB3      ARG  66  -2.357  -3.609 -13.850
  531    HG2  ARG  66           HG2      ARG  66  -2.831  -1.292 -12.986
  532    HG3  ARG  66           HG3      ARG  66  -1.084  -0.989 -12.966
  533    HD2  ARG  66           HD2      ARG  66  -2.726  -1.754 -15.414
  534    HD3  ARG  66           HD3      ARG  66  -2.161  -0.121 -15.022
  535    HE   ARG  66           HE       ARG  66   0.062  -1.913 -15.031
  536   HH11  ARG  66          HH11      ARG  66  -2.205  -0.349 -17.259
  537   HH12  ARG  66          HH12      ARG  66  -1.068  -0.346 -18.589
  538   HH21  ARG  66          HH21      ARG  66   1.522  -1.877 -16.787
  539   HH22  ARG  66          HH22      ARG  66   1.022  -1.214 -18.327
  540    H    ASP  67           H        ASP  67  -1.972  -1.178 -10.719
  541    HA   ASP  67           HA       ASP  67   0.805  -0.778  -9.946
  542    HB2  ASP  67           HB2      ASP  67  -1.736   0.710  -9.180
  543    HB3  ASP  67           HB3      ASP  67  -0.079   1.277  -8.924
  544    H    ALA  68           H        ALA  68  -2.132  -2.071  -8.482
  545    HA   ALA  68           HA       ALA  68  -1.185  -1.866  -5.755
  546    HB1  ALA  68           HB1      ALA  68  -3.427  -3.476  -7.044
  547    HB2  ALA  68           HB2      ALA  68  -3.178  -3.302  -5.302
  548    HB3  ALA  68           HB3      ALA  68  -3.575  -1.867  -6.283
  549    H    GLU  69           H        GLU  69  -1.178  -4.396  -8.308
  550    HA   GLU  69           HA       GLU  69  -0.295  -6.481  -6.522
  551    HB2  GLU  69           HB2      GLU  69  -0.303  -6.146  -9.545
  552    HB3  GLU  69           HB3      GLU  69   0.368  -7.579  -8.740
  553    HG2  GLU  69           HG2      GLU  69  -1.750  -8.080  -7.685
  554    HG3  GLU  69           HG3      GLU  69  -2.475  -6.589  -8.301
  555    H    ASP  70           H        ASP  70   1.390  -4.024  -8.546
  556    HA   ASP  70           HA       ASP  70   4.013  -5.147  -8.032
  557    HB2  ASP  70           HB2      ASP  70   3.026  -2.381  -8.836
  558    HB3  ASP  70           HB3      ASP  70   4.732  -2.784  -8.609
  559    H    ALA  71           H        ALA  71   1.898  -2.769  -6.395
  560    HA   ALA  71           HA       ALA  71   3.844  -1.711  -4.641
  561    HB1  ALA  71           HB1      ALA  71   1.885  -1.007  -3.292
  562    HB2  ALA  71           HB2      ALA  71   1.654  -0.685  -5.023
  563    HB3  ALA  71           HB3      ALA  71   0.850  -2.083  -4.255
  564    H    MET  72           H        MET  72   1.920  -4.734  -4.401
  565    HA   MET  72           HA       MET  72   2.984  -5.139  -1.670
  566    HB2  MET  72           HB2      MET  72   1.585  -7.100  -1.590
  567    HB3  MET  72           HB3      MET  72   0.630  -5.743  -2.238
  568    HG2  MET  72           HG2      MET  72   1.104  -6.531  -4.518
  569    HG3  MET  72           HG3      MET  72   1.971  -7.932  -3.859
  570    HE1  MET  72           HE1      MET  72  -1.057  -9.694  -5.383
  571    HE2  MET  72           HE2      MET  72  -0.021  -8.385  -6.000
  572    HE3  MET  72           HE3      MET  72   0.702  -9.737  -5.111
  573    H    ASP  73           H        ASP  73   3.587  -6.189  -5.008
  574    HA   ASP  73           HA       ASP  73   5.237  -8.436  -4.332
  575    HB2  ASP  73           HB2      ASP  73   4.171  -8.092  -6.534
  576    HB3  ASP  73           HB3      ASP  73   5.197  -6.676  -6.813
  577    H    ALA  74           H        ALA  74   5.725  -5.101  -3.848
  578    HA   ALA  74           HA       ALA  74   8.667  -5.559  -3.622
  579    HB1  ALA  74           HB1      ALA  74   7.188  -3.160  -4.716
  580    HB2  ALA  74           HB2      ALA  74   8.953  -3.222  -4.442
  581    HB3  ALA  74           HB3      ALA  74   8.190  -4.288  -5.653
  582    H    MET  75           H        MET  75   5.808  -4.551  -2.000
  583    HA   MET  75           HA       MET  75   7.551  -3.375   0.154
  584    HB2  MET  75           HB2      MET  75   4.622  -2.847  -0.406
  585    HB3  MET  75           HB3      MET  75   5.535  -2.197   0.952
  586    HG2  MET  75           HG2      MET  75   6.237  -1.635  -1.952
  587    HG3  MET  75           HG3      MET  75   5.179  -0.628  -0.967
  588    HE1  MET  75           HE1      MET  75   6.491   1.278  -1.765
  589    HE2  MET  75           HE2      MET  75   6.154   1.643  -0.069
  590    HE3  MET  75           HE3      MET  75   7.763   1.976  -0.732
  591    H    ASP  76           H        ASP  76   5.047  -5.869  -0.571
  592    HA   ASP  76           HA       ASP  76   4.439  -6.266   2.205
  593    HB2  ASP  76           HB2      ASP  76   2.986  -7.053   0.345
  594    HB3  ASP  76           HB3      ASP  76   4.234  -8.245  -0.096
  595    H    GLY  77           H        GLY  77   5.614  -7.199   3.735
  596    HA2  GLY  77           HA2      GLY  77   7.045  -8.712   4.753
  597    HA3  GLY  77           HA3      GLY  77   7.471  -9.385   3.160
  598    H    ALA  78           H        ALA  78   7.791  -6.071   2.875
  599    HA   ALA  78           HA       ALA  78  10.656  -6.135   2.838
  600    HB1  ALA  78           HB1      ALA  78   8.702  -3.799   2.816
  601    HB2  ALA  78           HB2      ALA  78  10.425  -3.721   2.384
  602    HB3  ALA  78           HB3      ALA  78   9.306  -4.674   1.394
  603    H    VAL  79           H        VAL  79  11.688  -4.020   4.032
  604    HA   VAL  79           HA       VAL  79  11.057  -4.250   6.944
  605    HB   VAL  79           HB       VAL  79  13.736  -4.708   5.586
  606   HG11  VAL  79          HG11      VAL  79  14.105  -3.328   7.573
  607   HG12  VAL  79          HG12      VAL  79  13.090  -4.402   8.552
  608   HG13  VAL  79          HG13      VAL  79  14.633  -4.989   7.892
  609   HG21  VAL  79          HG21      VAL  79  13.612  -6.872   6.814
  610   HG22  VAL  79          HG22      VAL  79  11.972  -6.444   7.360
  611   HG23  VAL  79          HG23      VAL  79  12.302  -6.686   5.635
  612    H    LEU  80           H        LEU  80  11.383  -2.524   8.122
  613    HA   LEU  80           HA       LEU  80  13.080  -0.315   7.214
  614    HB2  LEU  80           HB2      LEU  80  10.843   0.273   6.315
  615    HB3  LEU  80           HB3      LEU  80  10.115  -0.003   7.908
  616    HG   LEU  80           HG       LEU  80  11.476   1.871   8.834
  617   HD11  LEU  80          HD11      LEU  80  13.403   1.796   7.287
  618   HD12  LEU  80          HD12      LEU  80  12.340   2.240   5.932
  619   HD13  LEU  80          HD13      LEU  80  12.626   3.389   7.253
  620   HD21  LEU  80          HD21      LEU  80  10.260   3.674   7.695
  621   HD22  LEU  80          HD22      LEU  80   9.886   2.584   6.335
  622   HD23  LEU  80          HD23      LEU  80   9.201   2.268   7.943
  623    H    ASP  81           H        ASP  81  13.999   0.654   8.999
  624    HA   ASP  81           HA       ASP  81  14.875   0.774  11.063
  625    HB2  ASP  81           HB2      ASP  81  12.706   1.938  11.375
  626    HB3  ASP  81           HB3      ASP  81  12.014   0.429  12.000
  627    H    GLY  82           H        GLY  82  13.715  -2.144   9.984
  628    HA2  GLY  82           HA2      GLY  82  14.968  -4.092  10.608
  629    HA3  GLY  82           HA3      GLY  82  14.954  -3.547  12.304
  630    H    ARG  83           H        ARG  83  11.907  -2.844  11.144
  631    HA   ARG  83           HA       ARG  83  10.783  -5.357  12.248
  632    HB2  ARG  83           HB2      ARG  83   8.699  -4.140  12.387
  633    HB3  ARG  83           HB3      ARG  83   9.981  -3.244  13.199
  634    HG2  ARG  83           HG2      ARG  83  10.087  -1.592  11.527
  635    HG3  ARG  83           HG3      ARG  83   9.300  -2.619  10.310
  636    HD2  ARG  83           HD2      ARG  83   7.783  -0.850  11.194
  637    HD3  ARG  83           HD3      ARG  83   7.191  -2.502  11.421
  638    HE   ARG  83           HE       ARG  83   8.648  -1.244  13.674
  639   HH11  ARG  83          HH11      ARG  83   5.560  -2.215  12.246
  640   HH12  ARG  83          HH12      ARG  83   4.727  -2.255  13.783
  641   HH21  ARG  83          HH21      ARG  83   7.497  -1.241  15.671
  642   HH22  ARG  83          HH22      ARG  83   5.806  -1.673  15.696
  643    H    GLU  84           H        GLU  84   8.294  -5.061  10.920
  644    HA   GLU  84           HA       GLU  84   9.030  -6.040   8.181
  645    HB2  GLU  84           HB2      GLU  84   6.822  -6.847  10.118
  646    HB3  GLU  84           HB3      GLU  84   6.829  -7.298   8.402
  647    HG2  GLU  84           HG2      GLU  84   9.017  -8.423   8.721
  648    HG3  GLU  84           HG3      GLU  84   8.993  -7.954  10.437
  649    H    LEU  85           H        LEU  85   7.247  -5.751   6.586
  650    HA   LEU  85           HA       LEU  85   5.464  -3.442   7.130
  651    HB2  LEU  85           HB2      LEU  85   7.254  -3.839   4.696
  652    HB3  LEU  85           HB3      LEU  85   6.004  -2.592   4.839
  653    HG   LEU  85           HG       LEU  85   8.466  -2.861   6.637
  654   HD11  LEU  85          HD11      LEU  85   7.803  -0.933   4.374
  655   HD12  LEU  85          HD12      LEU  85   9.222  -0.828   5.444
  656   HD13  LEU  85          HD13      LEU  85   9.040  -2.207   4.333
  657   HD21  LEU  85          HD21      LEU  85   6.381  -0.637   6.407
  658   HD22  LEU  85          HD22      LEU  85   6.564  -1.756   7.788
  659   HD23  LEU  85          HD23      LEU  85   7.847  -0.596   7.414
  660    H    ARG  86           H        ARG  86   3.547  -3.483   5.707
  661    HA   ARG  86           HA       ARG  86   3.024  -6.165   4.535
  662    HB2  ARG  86           HB2      ARG  86   1.619  -4.799   6.863
  663    HB3  ARG  86           HB3      ARG  86   0.808  -6.049   5.922
  664    HG2  ARG  86           HG2      ARG  86   3.477  -6.400   7.371
  665    HG3  ARG  86           HG3      ARG  86   1.918  -6.929   8.003
  666    HD2  ARG  86           HD2      ARG  86   1.659  -8.600   6.337
  667    HD3  ARG  86           HD3      ARG  86   2.868  -7.861   5.276
  668    HE   ARG  86           HE       ARG  86   3.842  -8.846   7.876
  669   HH11  ARG  86          HH11      ARG  86   3.469  -9.398   4.389
  670   HH12  ARG  86          HH12      ARG  86   4.719 -10.620   4.347
  671   HH21  ARG  86          HH21      ARG  86   5.548 -10.358   7.733
  672   HH22  ARG  86          HH22      ARG  86   5.876 -11.177   6.225
  673    H    VAL  87           H        VAL  87   1.580  -6.248   2.967
  674    HA   VAL  87           HA       VAL  87  -0.107  -3.935   2.304
  675    HB   VAL  87           HB       VAL  87   1.986  -5.045   0.373
  676   HG11  VAL  87          HG11      VAL  87  -0.063  -2.806   0.100
  677   HG12  VAL  87          HG12      VAL  87   1.187  -3.232  -1.095
  678   HG13  VAL  87          HG13      VAL  87  -0.118  -4.380  -0.711
  679   HG21  VAL  87          HG21      VAL  87   3.160  -3.603   1.905
  680   HG22  VAL  87          HG22      VAL  87   2.807  -2.622   0.462
  681   HG23  VAL  87          HG23      VAL  87   1.818  -2.434   1.918
  682    H    GLN  88           H        GLN  88  -2.044  -4.797   1.738
  683    HA   GLN  88           HA       GLN  88  -2.256  -6.999  -0.111
  684    HB2  GLN  88           HB2      GLN  88  -3.505  -8.517   1.363
  685    HB3  GLN  88           HB3      GLN  88  -1.846  -8.307   1.943
  686    HG2  GLN  88           HG2      GLN  88  -4.236  -6.776   3.042
  687    HG3  GLN  88           HG3      GLN  88  -3.667  -8.299   3.712
  688   HE21  GLN  88          HE22      GLN  88  -3.624  -5.166   4.425
  689   HE22  GLN  88          HE21      GLN  88  -2.042  -5.010   5.160
  690    H    MET  89           H        MET  89  -4.651  -7.519  -0.507
  691    HA   MET  89           HA       MET  89  -6.028  -5.064  -0.938
  692    HB2  MET  89           HB2      MET  89  -6.849  -7.981  -1.148
  693    HB3  MET  89           HB3      MET  89  -7.919  -6.629  -1.591
  694    HG2  MET  89           HG2      MET  89  -6.804  -7.386  -3.590
  695    HG3  MET  89           HG3      MET  89  -6.209  -5.784  -3.159
  696    HE1  MET  89           HE1      MET  89  -2.967  -6.989  -4.752
  697    HE2  MET  89           HE2      MET  89  -4.619  -7.254  -5.353
  698    HE3  MET  89           HE3      MET  89  -4.188  -5.710  -4.586
  699    H    ALA  90           H        ALA  90  -7.901  -4.202  -0.050
  700    HA   ALA  90           HA       ALA  90  -7.987  -4.359   2.795
  701    HB1  ALA  90           HB1      ALA  90  -9.822  -2.964   0.816
  702    HB2  ALA  90           HB2      ALA  90  -9.741  -2.638   2.564
  703    HB3  ALA  90           HB3      ALA  90  -8.342  -2.281   1.538
  704    H    ARG  91           H        ARG  91 -10.287  -4.254   3.823
  705    HA   ARG  91           HA       ARG  91 -12.047  -6.464   2.890
  706    HB2  ARG  91           HB2      ARG  91 -10.954  -6.062   5.702
  707    HB3  ARG  91           HB3      ARG  91 -12.154  -7.283   5.238
  708    HG2  ARG  91           HG2      ARG  91 -10.519  -8.403   3.809
  709    HG3  ARG  91           HG3      ARG  91  -9.313  -7.145   4.156
  710    HD2  ARG  91           HD2      ARG  91  -9.433  -7.685   6.560
  711    HD3  ARG  91           HD3      ARG  91 -10.605  -8.968   6.219
  712    HE   ARG  91           HE       ARG  91  -8.382  -9.508   4.600
  713   HH11  ARG  91          HH11      ARG  91  -9.058  -9.253   8.063
  714   HH12  ARG  91          HH12      ARG  91  -7.779 -10.365   8.505
  715   HH21  ARG  91          HH21      ARG  91  -6.736 -10.953   5.208
  716   HH22  ARG  91          HH22      ARG  91  -6.481 -11.324   6.899
  717    H    TYR  92           H        TYR  92 -14.048  -6.486   4.412
  718    HA   TYR  92           HA       TYR  92 -16.002  -5.426   4.945
  719    HB2  TYR  92           HB2      TYR  92 -14.139  -3.538   6.400
  720    HB3  TYR  92           HB3      TYR  92 -15.821  -3.877   6.795
  721    HD1  TYR  92           HD1      TYR  92 -16.426  -6.365   7.347
  722    HD2  TYR  92           HD2      TYR  92 -12.434  -4.758   7.450
  723    HE1  TYR  92           HE1      TYR  92 -15.721  -8.227   8.826
  724    HE2  TYR  92           HE2      TYR  92 -11.723  -6.614   8.944
  725    HH   TYR  92           HH       TYR  92 -13.995  -9.172  10.005
  726    H    GLY  93           H        GLY  93 -16.582  -2.709   5.519
  727    HA2  GLY  93           HA2      GLY  93 -16.046  -1.287   2.966
  728    HA3  GLY  93           HA3      GLY  93 -17.719  -1.532   3.522
  729    H    ARG  94           H        ARG  94 -15.421  -1.196   5.977
  730    HA   ARG  94           HA       ARG  94 -14.384   0.733   6.912
  731    HB2  ARG  94           HB2      ARG  94 -17.001   2.079   6.232
  732    HB3  ARG  94           HB3      ARG  94 -15.860   2.735   7.406
  733    HG2  ARG  94           HG2      ARG  94 -14.041   2.727   5.746
  734    HG3  ARG  94           HG3      ARG  94 -15.118   2.047   4.529
  735    HD2  ARG  94           HD2      ARG  94 -14.953   4.442   4.174
  736    HD3  ARG  94           HD3      ARG  94 -16.591   4.061   4.750
  737    HE   ARG  94           HE       ARG  94 -14.830   4.708   6.942
  738   HH11  ARG  94          HH11      ARG  94 -16.708   6.213   4.353
  739   HH12  ARG  94          HH12      ARG  94 -16.875   7.728   5.217
  740   HH21  ARG  94          HH21      ARG  94 -15.033   6.645   8.007
  741   HH22  ARG  94          HH22      ARG  94 -15.929   7.978   7.299
  742    HA   PRO  95           HA       PRO  95 -15.308  -0.739  10.837
  743    HB2  PRO  95           HB2      PRO  95 -15.661   2.124  11.736
  744    HB3  PRO  95           HB3      PRO  95 -14.731   0.801  12.521
  745    HG2  PRO  95           HG2      PRO  95 -13.447   2.668  11.029
  746    HG3  PRO  95           HG3      PRO  95 -12.987   0.953  10.895
  747    HD2  PRO  95           HD2      PRO  95 -14.576   2.567   8.968
  748    HD3  PRO  95           HD3      PRO  95 -13.465   1.207   8.684
  749    HA   PRO  96           HA       PRO  96 -19.767  -0.689  10.913
  750    HB2  PRO  96           HB2      PRO  96 -20.213  -2.758  12.592
  751    HB3  PRO  96           HB3      PRO  96 -19.404  -3.005  11.011
  752    HG2  PRO  96           HG2      PRO  96 -18.082  -2.645  13.725
  753    HG3  PRO  96           HG3      PRO  96 -17.793  -3.953  12.527
  754    HD2  PRO  96           HD2      PRO  96 -16.227  -1.700  12.677
  755    HD3  PRO  96           HD3      PRO  96 -16.583  -2.509  11.116
  756    H    ASP  97           H        ASP  97 -17.776  -0.078  13.796
  757    HA   ASP  97           HA       ASP  97 -19.987   1.413  14.959
  758    HB2  ASP  97           HB2      ASP  97 -20.418  -1.038  15.542
  759    HB3  ASP  97           HB3      ASP  97 -18.907  -1.021  16.457
  760    H    SER  98           H        SER  98 -16.895   1.403  14.283
  761    HA   SER  98           HA       SER  98 -15.678   2.091  16.826
  762    HB2  SER  98           HB2      SER  98 -14.786   2.657  13.973
  763    HB3  SER  98           HB3      SER  98 -13.798   2.904  15.420
  764    HG   SER  98           HG       SER  98 -13.994   0.681  15.863
  765    H    HIS  99           H        HIS  99 -17.667   3.799  14.556
  766    HA   HIS  99           HA       HIS  99 -17.551   6.237  16.153
  767    HB2  HIS  99           HB2      HIS  99 -15.601   6.509  14.661
  768    HB3  HIS  99           HB3      HIS  99 -16.599   6.192  13.254
  769    HD2  HIS  99           HD2      HIS  99 -16.869   8.462  12.018
  770    HE1  HIS  99           HE1      HIS  99 -17.759  10.990  15.309
  771    HE2  HIS  99           HE2      HIS  99 -17.509  10.880  12.789
  772    H    HIS 100           H        HIS 100 -19.151   7.893  15.108
  773    HA   HIS 100           HA       HIS 100 -21.333   6.514  13.660
  774    HB2  HIS 100           HB2      HIS 100 -21.712   7.886  16.346
  775    HB3  HIS 100           HB3      HIS 100 -22.964   7.112  15.366
  776    HD2  HIS 100           HD2      HIS 100 -22.747   4.337  15.118
  777    HE1  HIS 100           HE1      HIS 100 -20.388   3.841  18.621
  778    HE2  HIS 100           HE2      HIS 100 -21.776   2.640  16.874
  779    H    SER 101           H        SER 101 -23.185   8.099  13.269
  780    HA   SER 101           HA       SER 101 -22.319  10.914  13.010
  781    HB2  SER 101           HB2      SER 101 -23.243   9.170  10.686
  782    HB3  SER 101           HB3      SER 101 -22.980  10.921  10.619
  783    HG   SER 101           HG       SER 101 -21.158   9.717   9.880
  784    H5'    U 102           H5'        U 102  -4.354  -6.378  14.990
  785   H5''    U 102          H5''        U 102  -5.337  -6.163  13.514
  786    H4'    U 102           H4'        U 102  -4.827  -3.983  14.401
  787    H3'    U 102           H3'        U 102  -3.009  -4.627  12.052
  788    H2'    U 102           H2'        U 102  -2.194  -2.402  12.281
  789   HO2'    U 102          HO2'        U 102  -4.258  -1.403  12.317
  790    H1'    U 102           H1'        U 102  -2.777  -2.308  15.101
  791    H3     U 102           H3         U 102   1.777  -4.165  12.985
  792    H5     U 102           H5         U 102   1.502  -1.374  16.112
  793    H6     U 102           H6         U 102  -0.923  -1.583  15.995
  794   HO5'    U 102          HO5'        U 102  -2.540  -6.666  13.639
  795    H5'    C 103           H5'        C 103  -6.022  -0.898   9.603
  796   H5''    C 103          H5''        C 103  -6.631  -1.398  11.192
  797    H4'    C 103           H4'        C 103  -8.369  -0.359   9.728
  798    H3'    C 103           H3'        C 103  -8.691  -2.563  11.373
  799    H2'    C 103           H2'        C 103  -8.479  -4.230   9.750
  800   HO2'    C 103          HO2'        C 103 -11.183  -3.382   9.625
  801    H1'    C 103           H1'        C 103  -9.979  -2.621   7.701
  802    H41    C 103           H41        C 103  -7.041  -6.544   3.658
  803    H42    C 103           H42        C 103  -5.967  -7.130   4.911
  804    H5     C 103           H5         C 103  -5.965  -6.211   7.182
  805    H6     C 103           H6         C 103  -7.017  -4.661   8.662
  806    H5'    C 104           H5'        C 104  -9.255   2.242  11.447
  807   H5''    C 104          H5''        C 104 -10.985   2.457  11.783
  808    H4'    C 104           H4'        C 104  -9.889   4.254  10.364
  809    H3'    C 104           H3'        C 104 -12.304   2.802   9.340
  810    H2'    C 104           H2'        C 104 -12.248   4.079   7.406
  811   HO2'    C 104          HO2'        C 104 -11.938   6.158   8.354
  812    H1'    C 104           H1'        C 104  -9.518   4.268   7.179
  813    H41    C 104           H41        C 104 -11.810  -0.166   3.158
  814    H42    C 104           H42        C 104 -12.368  -1.167   4.480
  815    H5     C 104           H5         C 104 -12.114  -0.508   6.843
  816    H6     C 104           H6         C 104 -11.331   1.265   8.305
  817    H5'    A 105           H5'        A 105 -15.402   7.215  11.005
  818   H5''    A 105          H5''        A 105 -14.564   8.605  10.299
  819    H4'    A 105           H4'        A 105 -14.266   8.681  12.681
  820    H3'    A 105           H3'        A 105 -12.119   8.714  10.823
  821    H2'    A 105           H2'        A 105 -11.454   6.541  11.435
  822   HO2'    A 105          HO2'        A 105 -10.170   8.331  13.241
  823    H1'    A 105           H1'        A 105 -12.234   7.436  14.260
  824    H8     A 105           H8         A 105 -11.014   4.561  12.190
  825    H61    A 105           H61        A 105 -10.763   1.455  17.584
  826    H62    A 105           H62        A 105 -10.323   1.373  15.888
  827    H2     A 105           H2         A 105 -12.851   5.304  18.249
  828    H5'    G 106           H5'        G 106 -10.164  11.628  10.991
  829   H5''    G 106          H5''        G 106 -11.160  13.091  11.142
  830    H4'    G 106           H4'        G 106 -10.440  13.285   8.953
  831    H3'    G 106           H3'        G 106 -13.023  11.703   8.850
  832    H2'    G 106           H2'        G 106 -12.869  11.854   6.471
  833   HO2'    G 106          HO2'        G 106 -12.210  14.091   6.443
  834    H1'    G 106           H1'        G 106 -10.103  11.480   6.405
  835    H8     G 106           H8         G 106 -12.954   9.508   8.263
  836    H1     G 106           H1         G 106  -9.782   6.416   3.603
  837    H21    G 106           H21        G 106  -8.151   7.699   2.843
  838    H22    G 106           H22        G 106  -7.813   9.278   3.526
  839    H5'    U 107           H5'        U 107 -13.071  15.803   6.506
  840   H5''    U 107          H5''        U 107 -14.556  16.519   7.162
  841    H4'    U 107           H4'        U 107 -15.742  16.235   5.114
  842    H3'    U 107           H3'        U 107 -13.425  14.461   4.262
  843   HO3'    U 107          HO3'        U 107 -15.343  13.499   5.193
  844    H2'    U 107           H2'        U 107 -14.075  14.998   2.001
  845   HO2'    U 107          HO2'        U 107 -16.428  14.986   2.603
  846    H1'    U 107           H1'        U 107 -14.488  17.635   2.522
  847    H3     U 107           H3         U 107  -9.373  16.925   3.368
  848    H5     U 107           H5         U 107 -11.044  17.120  -0.475
  849    H6     U 107           H6         U 107 -13.240  16.994   0.539
  Start of MODEL    3
    1    H    MET   1           H1       MET   1   0.668  20.251   4.003
    2    HA   MET   1           HA       MET   1   0.511  17.334   3.628
    3    HB2  MET   1           HB2      MET   1   1.115  19.007   6.095
    4    HB3  MET   1           HB3      MET   1   0.747  17.269   6.110
    5    HG2  MET   1           HG2      MET   1   2.683  16.821   4.677
    6    HG3  MET   1           HG3      MET   1   3.032  18.553   4.566
    7    HE1  MET   1           HE1      MET   1   3.491  16.056   8.446
    8    HE2  MET   1           HE2      MET   1   1.906  16.513   7.786
    9    HE3  MET   1           HE3      MET   1   2.958  15.385   6.889
   10    H    SER   2           H        SER   2  -1.612  17.001   3.091
   11    HA   SER   2           HA       SER   2  -3.601  17.648   5.130
   12    HB2  SER   2           HB2      SER   2  -5.129  18.742   3.527
   13    HB3  SER   2           HB3      SER   2  -3.649  19.694   3.779
   14    HG   SER   2           HG       SER   2  -4.198  19.487   1.558
   15    H    TYR   3           H        TYR   3  -5.725  16.630   4.576
   16    HA   TYR   3           HA       TYR   3  -5.568  14.409   2.640
   17    HB2  TYR   3           HB2      TYR   3  -6.149  13.983   5.596
   18    HB3  TYR   3           HB3      TYR   3  -6.166  12.757   4.343
   19    HD1  TYR   3           HD1      TYR   3  -4.013  14.933   6.401
   20    HD2  TYR   3           HD2      TYR   3  -4.109  11.858   3.400
   21    HE1  TYR   3           HE1      TYR   3  -1.574  14.609   6.669
   22    HE2  TYR   3           HE2      TYR   3  -1.681  11.471   3.699
   23    HH   TYR   3           HH       TYR   3   0.285  13.480   5.938
   24    H    GLY   4           H        GLY   4  -7.801  13.092   2.973
   25    HA2  GLY   4           HA2      GLY   4 -10.089  14.663   3.748
   26    HA3  GLY   4           HA3      GLY   4  -9.809  14.740   1.997
   27    H    ARG   5           H        ARG   5 -12.135  13.701   2.603
   28    HA   ARG   5           HA       ARG   5 -12.355  11.014   3.253
   29    HB2  ARG   5           HB2      ARG   5 -14.545  11.164   2.201
   30    HB3  ARG   5           HB3      ARG   5 -14.193  12.671   3.059
   31    HG2  ARG   5           HG2      ARG   5 -13.451  13.681   0.865
   32    HG3  ARG   5           HG3      ARG   5 -13.972  12.192   0.053
   33    HD2  ARG   5           HD2      ARG   5 -16.269  12.542   0.986
   34    HD3  ARG   5           HD3      ARG   5 -15.711  14.080   1.677
   35    HE   ARG   5           HE       ARG   5 -15.582  13.503  -1.256
   36   HH11  ARG   5          HH11      ARG   5 -16.555  15.647   1.406
   37   HH12  ARG   5          HH12      ARG   5 -17.130  16.890   0.326
   38   HH21  ARG   5          HH21      ARG   5 -16.334  15.161  -2.615
   39   HH22  ARG   5          HH22      ARG   5 -16.988  16.630  -1.934
   40    HA   PRO   6           HA       PRO   6 -10.605   8.827  -0.122
   41    HB2  PRO   6           HB2      PRO   6 -12.011   6.480  -0.019
   42    HB3  PRO   6           HB3      PRO   6 -10.863   6.979   1.265
   43    HG2  PRO   6           HG2      PRO   6 -13.875   7.321   1.230
   44    HG3  PRO   6           HG3      PRO   6 -12.861   6.640   2.539
   45    HD2  PRO   6           HD2      PRO   6 -13.661   9.272   2.534
   46    HD3  PRO   6           HD3      PRO   6 -12.035   8.825   3.118
   47    HA   PRO   7           HA       PRO   7 -12.924   9.389  -3.847
   48    HB2  PRO   7           HB2      PRO   7 -11.924   6.643  -4.580
   49    HB3  PRO   7           HB3      PRO   7 -11.886   8.144  -5.563
   50    HG2  PRO   7           HG2      PRO   7  -9.638   7.303  -4.346
   51    HG3  PRO   7           HG3      PRO   7 -10.098   9.034  -4.256
   52    HD2  PRO   7           HD2      PRO   7 -10.536   6.887  -2.167
   53    HD3  PRO   7           HD3      PRO   7  -9.910   8.557  -1.962
   54    HA   PRO   8           HA       PRO   8 -16.694   7.018  -3.424
   55    HB2  PRO   8           HB2      PRO   8 -17.885   7.389  -5.838
   56    HB3  PRO   8           HB3      PRO   8 -17.611   8.751  -4.704
   57    HG2  PRO   8           HG2      PRO   8 -15.879   7.925  -7.055
   58    HG3  PRO   8           HG3      PRO   8 -16.513   9.562  -6.675
   59    HD2  PRO   8           HD2      PRO   8 -14.000   8.788  -5.951
   60    HD3  PRO   8           HD3      PRO   8 -14.994   9.838  -4.893
   61    H    ASP   9           H        ASP   9 -17.950   5.233  -4.512
   62    HA   ASP   9           HA       ASP   9 -18.099   3.112  -5.205
   63    HB2  ASP   9           HB2      ASP   9 -16.175   4.031  -7.365
   64    HB3  ASP   9           HB3      ASP   9 -17.184   2.581  -7.428
   65    H    VAL  10           H        VAL  10 -15.732   3.936  -3.381
   66    HA   VAL  10           HA       VAL  10 -13.614   2.131  -3.914
   67    HB   VAL  10           HB       VAL  10 -13.515   4.109  -2.415
   68   HG11  VAL  10          HG11      VAL  10 -15.683   3.801  -1.249
   69   HG12  VAL  10          HG12      VAL  10 -15.039   2.355  -0.447
   70   HG13  VAL  10          HG13      VAL  10 -14.332   3.949  -0.107
   71   HG21  VAL  10          HG21      VAL  10 -12.051   3.159  -0.761
   72   HG22  VAL  10          HG22      VAL  10 -12.731   1.540  -0.991
   73   HG23  VAL  10          HG23      VAL  10 -11.812   2.311  -2.308
   74    H    GLU  11           H        GLU  11 -16.820   1.543  -2.914
   75    HA   GLU  11           HA       GLU  11 -16.424  -0.854  -1.361
   76    HB2  GLU  11           HB2      GLU  11 -18.816   0.023  -3.035
   77    HB3  GLU  11           HB3      GLU  11 -18.839  -1.137  -1.700
   78    HG2  GLU  11           HG2      GLU  11 -18.151   1.822  -1.511
   79    HG3  GLU  11           HG3      GLU  11 -19.692   1.092  -1.032
   80    H    GLY  12           H        GLY  12 -15.695  -0.249  -4.560
   81    HA2  GLY  12           HA2      GLY  12 -16.005  -3.097  -5.312
   82    HA3  GLY  12           HA3      GLY  12 -16.783  -1.869  -6.332
   83    H    MET  13           H        MET  13 -13.611  -1.489  -4.683
   84    HA   MET  13           HA       MET  13 -12.265  -1.785  -7.321
   85    HB2  MET  13           HB2      MET  13 -11.889   0.483  -5.337
   86    HB3  MET  13           HB3      MET  13 -10.820   0.147  -6.714
   87    HG2  MET  13           HG2      MET  13 -12.839   0.256  -8.215
   88    HG3  MET  13           HG3      MET  13 -13.764   0.858  -6.835
   89    HE1  MET  13           HE1      MET  13 -12.072   4.310  -6.113
   90    HE2  MET  13           HE2      MET  13 -13.426   3.226  -5.732
   91    HE3  MET  13           HE3      MET  13 -11.750   2.740  -5.341
   92    H    THR  14           H        THR  14  -9.772  -1.762  -6.916
   93    HA   THR  14           HA       THR  14  -9.220  -4.229  -5.728
   94    HB   THR  14           HB       THR  14  -7.270  -1.968  -6.305
   95   HG21  THR  14          HG21      THR  14  -6.984  -5.002  -6.316
   96   HG22  THR  14          HG22      THR  14  -5.734  -3.847  -6.826
   97   HG23  THR  14          HG23      THR  14  -6.261  -3.886  -5.127
   98    H    SER  15           H        SER  15  -8.945  -0.978  -4.332
   99    HA   SER  15           HA       SER  15  -8.291  -0.240  -2.278
  100    HB2  SER  15           HB2      SER  15 -10.031  -2.613  -1.544
  101    HB3  SER  15           HB3      SER  15  -9.601  -1.281  -0.445
  102    HG   SER  15           HG       SER  15 -11.618  -0.980  -1.543
  103    H    LEU  16           H        LEU  16  -6.163  -1.653  -3.299
  104    HA   LEU  16           HA       LEU  16  -5.155  -3.660  -1.473
  105    HB2  LEU  16           HB2      LEU  16  -4.510  -3.461  -3.817
  106    HB3  LEU  16           HB3      LEU  16  -3.841  -1.851  -3.539
  107    HG   LEU  16           HG       LEU  16  -2.258  -3.863  -3.779
  108   HD11  LEU  16          HD11      LEU  16  -1.833  -2.078  -1.358
  109   HD12  LEU  16          HD12      LEU  16  -0.608  -2.834  -2.406
  110   HD13  LEU  16          HD13      LEU  16  -1.636  -1.547  -3.049
  111   HD21  LEU  16          HD21      LEU  16  -3.479  -5.277  -2.083
  112   HD22  LEU  16          HD22      LEU  16  -1.733  -5.141  -1.854
  113   HD23  LEU  16          HD23      LEU  16  -2.830  -4.184  -0.825
  114    H    LYS  17           H        LYS  17  -4.575  -3.231   0.640
  115    HA   LYS  17           HA       LYS  17  -3.835  -0.433   1.174
  116    HB2  LYS  17           HB2      LYS  17  -4.809  -0.539   3.230
  117    HB3  LYS  17           HB3      LYS  17  -5.875  -1.593   2.292
  118    HG2  LYS  17           HG2      LYS  17  -4.823  -3.581   3.330
  119    HG3  LYS  17           HG3      LYS  17  -3.614  -2.544   4.123
  120    HD2  LYS  17           HD2      LYS  17  -5.546  -1.305   5.229
  121    HD3  LYS  17           HD3      LYS  17  -6.620  -2.550   4.570
  122    HE2  LYS  17           HE2      LYS  17  -6.104  -3.126   6.837
  123    HE3  LYS  17           HE3      LYS  17  -5.258  -4.279   5.793
  124    HZ1  LYS  17           HZ1      LYS  17  -4.027  -1.870   6.969
  125    HZ2  LYS  17           HZ2      LYS  17  -3.934  -3.361   7.629
  126    HZ3  LYS  17           HZ3      LYS  17  -3.245  -3.083   6.168
  127    H    VAL  18           H        VAL  18  -2.472  -0.117   3.219
  128    HA   VAL  18           HA       VAL  18  -0.130  -1.964   3.234
  129    HB   VAL  18           HB       VAL  18  -0.171   1.050   2.915
  130   HG11  VAL  18          HG11      VAL  18   2.256   0.929   2.744
  131   HG12  VAL  18          HG12      VAL  18   1.692   0.330   4.313
  132   HG13  VAL  18          HG13      VAL  18   2.210  -0.828   3.059
  133   HG21  VAL  18          HG21      VAL  18   0.884   0.694   0.716
  134   HG22  VAL  18          HG22      VAL  18   0.758  -1.068   0.931
  135   HG23  VAL  18          HG23      VAL  18  -0.710  -0.080   0.788
  136    H    ASP  19           H        ASP  19   0.838  -2.105   5.215
  137    HA   ASP  19           HA       ASP  19   0.304  -0.249   7.399
  138    HB2  ASP  19           HB2      ASP  19  -0.779  -1.991   8.818
  139    HB3  ASP  19           HB3      ASP  19  -1.758  -1.532   7.415
  140    H    ASN  20           H        ASN  20   1.020  -1.534   9.525
  141    HA   ASN  20           HA       ASN  20   2.515  -2.576  10.787
  142    HB2  ASN  20           HB2      ASN  20   2.357  -4.403   8.912
  143    HB3  ASN  20           HB3      ASN  20   3.987  -3.845   8.500
  144   HD21  ASN  20          HD22      ASN  20   5.704  -4.392   9.890
  145   HD22  ASN  20          HD21      ASN  20   5.490  -5.443  11.283
  146    H    LEU  21           H        LEU  21   3.385  -0.218   8.529
  147    HA   LEU  21           HA       LEU  21   6.160  -0.013   8.868
  148    HB2  LEU  21           HB2      LEU  21   5.826   2.408   8.402
  149    HB3  LEU  21           HB3      LEU  21   5.135   1.306   7.230
  150    HG   LEU  21           HG       LEU  21   3.735   3.228   7.582
  151   HD11  LEU  21          HD11      LEU  21   1.629   2.186   7.768
  152   HD12  LEU  21          HD12      LEU  21   2.701   0.949   7.101
  153   HD13  LEU  21          HD13      LEU  21   2.227   0.909   8.832
  154   HD21  LEU  21          HD21      LEU  21   4.287   3.744   9.917
  155   HD22  LEU  21          HD22      LEU  21   2.534   3.658   9.657
  156   HD23  LEU  21          HD23      LEU  21   3.378   2.310  10.451
  157    H    THR  22           H        THR  22   7.243   1.870  10.067
  158    HA   THR  22           HA       THR  22   7.083   1.092  12.828
  159    HB   THR  22           HB       THR  22   8.909   2.648  13.169
  160   HG21  THR  22          HG21      THR  22   9.166   1.296  10.447
  161   HG22  THR  22          HG22      THR  22  10.508   1.870  11.472
  162   HG23  THR  22          HG23      THR  22   9.468   0.542  12.029
  163    H    TYR  23           H        TYR  23   6.950   2.565  14.653
  164    HA   TYR  23           HA       TYR  23   4.664   4.330  14.537
  165    HB2  TYR  23           HB2      TYR  23   5.115   4.647  16.906
  166    HB3  TYR  23           HB3      TYR  23   5.203   2.934  16.498
  167    HD1  TYR  23           HD1      TYR  23   7.408   1.767  16.401
  168    HD2  TYR  23           HD2      TYR  23   7.041   5.846  17.716
  169    HE1  TYR  23           HE1      TYR  23   9.685   1.654  17.382
  170    HE2  TYR  23           HE2      TYR  23   9.316   5.737  18.703
  171    HH   TYR  23           HH       TYR  23  11.324   2.774  18.504
  172    H    ARG  24           H        ARG  24   7.556   4.806  13.191
  173    HA   ARG  24           HA       ARG  24   7.807   7.663  14.031
  174    HB2  ARG  24           HB2      ARG  24   9.920   5.690  13.066
  175    HB3  ARG  24           HB3      ARG  24  10.211   7.405  13.371
  176    HG2  ARG  24           HG2      ARG  24   9.299   5.355  15.438
  177    HG3  ARG  24           HG3      ARG  24  10.948   5.970  15.261
  178    HD2  ARG  24           HD2      ARG  24   8.498   7.636  15.922
  179    HD3  ARG  24           HD3      ARG  24   9.733   7.119  17.080
  180    HE   ARG  24           HE       ARG  24   9.924   9.285  15.115
  181   HH11  ARG  24          HH11      ARG  24  11.743   7.081  17.201
  182   HH12  ARG  24          HH12      ARG  24  13.155   8.117  17.251
  183   HH21  ARG  24          HH21      ARG  24  11.784  10.603  15.202
  184   HH22  ARG  24          HH22      ARG  24  13.181  10.080  16.115
  185    H    THR  25           H        THR  25   7.186   5.462  11.416
  186    HA   THR  25           HA       THR  25   7.790   7.305   9.270
  187    HB   THR  25           HB       THR  25   5.808   4.996   9.414
  188   HG21  THR  25          HG21      THR  25   7.074   6.481   7.073
  189   HG22  THR  25          HG22      THR  25   6.312   4.885   6.927
  190   HG23  THR  25          HG23      THR  25   5.341   6.277   7.429
  191    H    SER  26           H        SER  26   5.859   8.172   7.879
  192    HA   SER  26           HA       SER  26   3.629   9.136   9.583
  193    HB2  SER  26           HB2      SER  26   5.627  10.890   8.099
  194    HB3  SER  26           HB3      SER  26   4.090  11.485   8.740
  195    HG   SER  26           HG       SER  26   5.865  11.750  10.191
  196    HA   PRO  27           HA       PRO  27   1.264   8.403   6.064
  197    HB2  PRO  27           HB2      PRO  27  -0.674  10.346   6.068
  198    HB3  PRO  27           HB3      PRO  27  -0.577   9.030   7.272
  199    HG2  PRO  27           HG2      PRO  27   0.442  11.885   7.524
  200    HG3  PRO  27           HG3      PRO  27  -0.517  10.948   8.713
  201    HD2  PRO  27           HD2      PRO  27   2.186  11.219   8.866
  202    HD3  PRO  27           HD3      PRO  27   1.386   9.700   9.360
  203    H    ASP  28           H        ASP  28   2.790  11.607   6.203
  204    HA   ASP  28           HA       ASP  28   2.181  12.239   3.418
  205    HB2  ASP  28           HB2      ASP  28   2.698  13.957   5.177
  206    HB3  ASP  28           HB3      ASP  28   4.349  13.305   5.276
  207    H    THR  29           H        THR  29   4.673  10.536   5.285
  208    HA   THR  29           HA       THR  29   6.588  10.380   3.154
  209    HB   THR  29           HB       THR  29   6.372   8.177   5.170
  210   HG21  THR  29          HG21      THR  29   8.807   8.575   5.279
  211   HG22  THR  29          HG22      THR  29   8.271   8.387   3.590
  212   HG23  THR  29          HG23      THR  29   8.615  10.006   4.239
  213    H    LEU  30           H        LEU  30   3.995   8.154   4.391
  214    HA   LEU  30           HA       LEU  30   4.552   6.122   2.456
  215    HB2  LEU  30           HB2      LEU  30   1.884   6.765   3.762
  216    HB3  LEU  30           HB3      LEU  30   2.370   5.245   2.997
  217    HG   LEU  30           HG       LEU  30   3.743   6.418   5.447
  218   HD11  LEU  30          HD11      LEU  30   2.498   4.731   6.700
  219   HD12  LEU  30          HD12      LEU  30   1.372   5.798   5.837
  220   HD13  LEU  30          HD13      LEU  30   1.706   4.171   5.203
  221   HD21  LEU  30          HD21      LEU  30   5.178   4.905   4.092
  222   HD22  LEU  30          HD22      LEU  30   4.698   4.130   5.613
  223   HD23  LEU  30          HD23      LEU  30   3.886   3.685   4.093
  224    H    ARG  31           H        ARG  31   2.694   9.144   2.294
  225    HA   ARG  31           HA       ARG  31   1.181   8.490  -0.044
  226    HB2  ARG  31           HB2      ARG  31   0.525  10.422   1.199
  227    HB3  ARG  31           HB3      ARG  31   2.159  11.099   1.173
  228    HG2  ARG  31           HG2      ARG  31   0.691  12.318  -0.363
  229    HG3  ARG  31           HG3      ARG  31   1.991  11.504  -1.243
  230    HD2  ARG  31           HD2      ARG  31   0.352   9.599  -1.681
  231    HD3  ARG  31           HD3      ARG  31  -0.915  10.641  -1.027
  232    HE   ARG  31           HE       ARG  31   0.615  10.989  -3.547
  233   HH11  ARG  31          HH11      ARG  31  -1.877  12.279  -1.382
  234   HH12  ARG  31          HH12      ARG  31  -2.515  13.358  -2.601
  235   HH21  ARG  31          HH21      ARG  31  -0.206  12.377  -5.068
  236   HH22  ARG  31          HH22      ARG  31  -1.570  13.416  -4.705
  237    H    ARG  32           H        ARG  32   4.477   9.850   0.375
  238    HA   ARG  32           HA       ARG  32   4.803  10.085  -2.550
  239    HB2  ARG  32           HB2      ARG  32   5.749  11.781  -1.012
  240    HB3  ARG  32           HB3      ARG  32   6.687  10.527  -0.187
  241    HG2  ARG  32           HG2      ARG  32   7.932  10.075  -2.295
  242    HG3  ARG  32           HG3      ARG  32   6.995  11.354  -3.103
  243    HD2  ARG  32           HD2      ARG  32   7.854  12.996  -1.435
  244    HD3  ARG  32           HD3      ARG  32   8.766  11.705  -0.649
  245    HE   ARG  32           HE       ARG  32  10.329  11.710  -2.385
  246   HH11  ARG  32          HH11      ARG  32   7.604  13.805  -3.214
  247   HH12  ARG  32          HH12      ARG  32   8.422  14.529  -4.580
  248   HH21  ARG  32          HH21      ARG  32  11.369  12.668  -4.164
  249   HH22  ARG  32          HH22      ARG  32  10.553  13.885  -5.114
  250    H    VAL  33           H        VAL  33   5.979   8.055   0.106
  251    HA   VAL  33           HA       VAL  33   7.890   6.501  -1.280
  252    HB   VAL  33           HB       VAL  33   6.034   6.011   1.060
  253   HG11  VAL  33          HG11      VAL  33   8.209   4.125   0.105
  254   HG12  VAL  33          HG12      VAL  33   7.309   4.020   1.645
  255   HG13  VAL  33          HG13      VAL  33   6.448   3.822   0.108
  256   HG21  VAL  33          HG21      VAL  33   7.941   7.649   1.241
  257   HG22  VAL  33          HG22      VAL  33   8.040   6.289   2.382
  258   HG23  VAL  33          HG23      VAL  33   9.064   6.311   0.916
  259    H    PHE  34           H        PHE  34   4.336   6.312  -1.275
  260    HA   PHE  34           HA       PHE  34   4.513   3.752  -2.788
  261    HB2  PHE  34           HB2      PHE  34   2.446   5.027  -1.016
  262    HB3  PHE  34           HB3      PHE  34   1.997   3.779  -2.176
  263    HD1  PHE  34           HD1      PHE  34   4.034   4.441   0.871
  264    HD2  PHE  34           HD2      PHE  34   2.582   1.470  -1.880
  265    HE1  PHE  34           HE1      PHE  34   4.789   2.647   2.405
  266    HE2  PHE  34           HE2      PHE  34   3.314  -0.321  -0.328
  267    HZ   PHE  34           HZ       PHE  34   4.437   0.270   1.810
  268    H    GLU  35           H        GLU  35   3.969   7.082  -3.196
  269    HA   GLU  35           HA       GLU  35   2.000   6.961  -5.304
  270    HB2  GLU  35           HB2      GLU  35   2.342   9.020  -4.172
  271    HB3  GLU  35           HB3      GLU  35   4.074   9.060  -4.591
  272    HG2  GLU  35           HG2      GLU  35   3.546   9.437  -6.908
  273    HG3  GLU  35           HG3      GLU  35   1.823   9.108  -6.627
  274    H    LYS  36           H        LYS  36   5.469   6.373  -5.209
  275    HA   LYS  36           HA       LYS  36   5.962   6.772  -8.011
  276    HB2  LYS  36           HB2      LYS  36   8.098   5.772  -7.568
  277    HB3  LYS  36           HB3      LYS  36   7.648   6.794  -6.176
  278    HG2  LYS  36           HG2      LYS  36   6.905   4.778  -4.943
  279    HG3  LYS  36           HG3      LYS  36   7.371   3.764  -6.331
  280    HD2  LYS  36           HD2      LYS  36   9.114   3.695  -4.636
  281    HD3  LYS  36           HD3      LYS  36   9.717   4.523  -6.088
  282    HE2  LYS  36           HE2      LYS  36   9.282   6.715  -5.020
  283    HE3  LYS  36           HE3      LYS  36   8.672   5.891  -3.576
  284    HZ1  LYS  36           HZ1      LYS  36  10.962   6.550  -3.331
  285    HZ2  LYS  36           HZ2      LYS  36  10.852   4.909  -3.298
  286    HZ3  LYS  36           HZ3      LYS  36  11.407   5.666  -4.644
  287    H    TYR  37           H        TYR  37   4.474   4.239  -6.213
  288    HA   TYR  37           HA       TYR  37   4.932   2.134  -8.188
  289    HB2  TYR  37           HB2      TYR  37   3.103   2.291  -5.763
  290    HB3  TYR  37           HB3      TYR  37   3.318   0.866  -6.769
  291    HD1  TYR  37           HD2      TYR  37   5.212   3.276  -4.631
  292    HD2  TYR  37           HD1      TYR  37   5.084  -0.631  -6.413
  293    HE1  TYR  37           HE2      TYR  37   7.245   2.636  -3.354
  294    HE2  TYR  37           HE1      TYR  37   7.125  -1.274  -5.139
  295    HH   TYR  37           HH       TYR  37   8.758  -0.587  -3.696
  296    H    GLY  38           H        GLY  38   2.864   4.854  -8.031
  297    HA2  GLY  38           HA2      GLY  38   1.820   4.748 -10.505
  298    HA3  GLY  38           HA3      GLY  38   0.715   3.656  -9.644
  299    H    ARG  39           H        ARG  39  -0.582   4.415  -7.977
  300    HA   ARG  39           HA       ARG  39  -0.402   7.184  -7.091
  301    HB2  ARG  39           HB2      ARG  39  -2.655   7.817  -7.621
  302    HB3  ARG  39           HB3      ARG  39  -1.886   7.315  -9.127
  303    HG2  ARG  39           HG2      ARG  39  -3.004   5.067  -8.885
  304    HG3  ARG  39           HG3      ARG  39  -3.842   5.681  -7.444
  305    HD2  ARG  39           HD2      ARG  39  -4.099   6.785 -10.255
  306    HD3  ARG  39           HD3      ARG  39  -5.294   5.809  -9.374
  307    HE   ARG  39           HE       ARG  39  -4.665   8.091  -7.805
  308   HH11  ARG  39          HH11      ARG  39  -6.329   7.246 -10.800
  309   HH12  ARG  39          HH12      ARG  39  -7.428   8.606 -10.719
  310   HH21  ARG  39          HH21      ARG  39  -6.100   9.872  -7.723
  311   HH22  ARG  39          HH22      ARG  39  -7.285  10.094  -8.984
  312    H    VAL  40           H        VAL  40  -0.718   7.122  -4.946
  313    HA   VAL  40           HA       VAL  40  -1.120   4.706  -3.564
  314    HB   VAL  40           HB       VAL  40  -1.367   6.025  -1.542
  315   HG11  VAL  40          HG11      VAL  40   0.619   7.370  -3.423
  316   HG12  VAL  40          HG12      VAL  40   0.712   7.238  -1.653
  317   HG13  VAL  40          HG13      VAL  40   0.858   5.781  -2.661
  318   HG21  VAL  40          HG21      VAL  40  -2.925   7.753  -2.391
  319   HG22  VAL  40          HG22      VAL  40  -1.535   8.453  -1.560
  320   HG23  VAL  40          HG23      VAL  40  -1.593   8.471  -3.341
  321    H    GLY  41           H        GLY  41  -3.469   6.798  -4.998
  322    HA2  GLY  41           HA2      GLY  41  -5.714   6.486  -5.348
  323    HA3  GLY  41           HA3      GLY  41  -5.623   4.976  -4.425
  324    H    ASP  42           H        ASP  42  -4.841   5.698  -1.947
  325    HA   ASP  42           HA       ASP  42  -6.139   8.092  -0.955
  326    HB2  ASP  42           HB2      ASP  42  -8.062   6.534  -1.249
  327    HB3  ASP  42           HB3      ASP  42  -7.244   5.344  -0.223
  328    H    VAL  43           H        VAL  43  -5.784   8.227   1.473
  329    HA   VAL  43           HA       VAL  43  -3.771   6.386   2.587
  330    HB   VAL  43           HB       VAL  43  -2.303   7.763   1.345
  331   HG11  VAL  43          HG11      VAL  43  -3.850  10.162   2.405
  332   HG12  VAL  43          HG12      VAL  43  -2.300  10.259   1.535
  333   HG13  VAL  43          HG13      VAL  43  -3.735   9.617   0.723
  334   HG21  VAL  43          HG21      VAL  43  -1.640   7.335   3.691
  335   HG22  VAL  43          HG22      VAL  43  -0.991   8.860   3.068
  336   HG23  VAL  43          HG23      VAL  43  -2.383   8.877   4.175
  337    H    TYR  44           H        TYR  44  -4.022   6.186   4.728
  338    HA   TYR  44           HA       TYR  44  -5.175   8.376   6.321
  339    HB2  TYR  44           HB2      TYR  44  -7.091   7.083   5.312
  340    HB3  TYR  44           HB3      TYR  44  -6.539   5.687   6.248
  341    HD1  TYR  44           HD2      TYR  44  -7.194   9.353   6.743
  342    HD2  TYR  44           HD1      TYR  44  -7.580   5.374   8.334
  343    HE1  TYR  44           HE2      TYR  44  -8.328  10.270   8.759
  344    HE2  TYR  44           HE1      TYR  44  -8.734   6.282  10.331
  345    HH   TYR  44           HH       TYR  44  -9.431   8.166  11.427
  346    H    ILE  45           H        ILE  45  -5.351   7.659   8.664
  347    HA   ILE  45           HA       ILE  45  -3.578   5.424   9.442
  348    HB   ILE  45           HB       ILE  45  -3.245   8.308  10.281
  349   HG12  ILE  45          HG12      ILE  45  -1.418   6.111   9.219
  350   HG13  ILE  45          HG13      ILE  45  -1.959   7.553   8.331
  351   HG21  ILE  45          HG21      ILE  45  -1.733   7.489  12.067
  352   HG22  ILE  45          HG22      ILE  45  -3.374   6.904  12.324
  353   HG23  ILE  45          HG23      ILE  45  -2.147   5.806  11.655
  354   HD11  ILE  45          HD11      ILE  45  -0.741   8.967  10.005
  355   HD12  ILE  45          HD12      ILE  45  -0.090   7.475  10.738
  356   HD13  ILE  45          HD13      ILE  45   0.319   7.879   9.065
  357    HA   PRO  46           HA       PRO  46  -7.587   4.907  11.510
  358    HB2  PRO  46           HB2      PRO  46  -5.979   2.466  12.248
  359    HB3  PRO  46           HB3      PRO  46  -7.715   2.549  11.775
  360    HG2  PRO  46           HG2      PRO  46  -5.917   1.753   9.954
  361    HG3  PRO  46           HG3      PRO  46  -7.129   3.006   9.496
  362    HD2  PRO  46           HD2      PRO  46  -4.255   3.408  10.377
  363    HD3  PRO  46           HD3      PRO  46  -5.104   4.119   8.966
  364    H    ARG  47           H        ARG  47  -4.901   6.041  12.816
  365    HA   ARG  47           HA       ARG  47  -4.647   5.177  15.448
  366    HB2  ARG  47           HB2      ARG  47  -3.182   6.742  14.296
  367    HB3  ARG  47           HB3      ARG  47  -4.465   7.968  14.241
  368    HG2  ARG  47           HG2      ARG  47  -4.361   8.150  16.704
  369    HG3  ARG  47           HG3      ARG  47  -3.117   6.864  16.731
  370    HD2  ARG  47           HD2      ARG  47  -1.781   8.315  15.098
  371    HD3  ARG  47           HD3      ARG  47  -2.943   9.613  15.431
  372    HE   ARG  47           HE       ARG  47  -1.758   8.451  17.828
  373   HH11  ARG  47          HH11      ARG  47  -1.319  10.866  15.281
  374   HH12  ARG  47          HH12      ARG  47  -0.243  11.849  16.242
  375   HH21  ARG  47          HH21      ARG  47  -0.346   9.741  19.048
  376   HH22  ARG  47          HH22      ARG  47   0.304  11.218  18.377
  377    H    ASP  48           H        ASP  48  -5.715   5.598  17.386
  378    HA   ASP  48           HA       ASP  48  -8.497   5.744  17.301
  379    HB2  ASP  48           HB2      ASP  48  -6.658   6.467  19.602
  380    HB3  ASP  48           HB3      ASP  48  -8.381   6.076  19.740
  381    H    ARG  49           H        ARG  49 -10.025   7.242  17.475
  382    HA   ARG  49           HA       ARG  49  -9.331   9.893  16.576
  383    HB2  ARG  49           HB2      ARG  49 -11.202   8.379  15.804
  384    HB3  ARG  49           HB3      ARG  49 -12.039   8.723  17.330
  385    HG2  ARG  49           HG2      ARG  49 -12.165  11.113  16.733
  386    HG3  ARG  49           HG3      ARG  49 -11.200  10.808  15.263
  387    HD2  ARG  49           HD2      ARG  49 -12.936   9.214  14.482
  388    HD3  ARG  49           HD3      ARG  49 -13.915   9.578  15.911
  389    HE   ARG  49           HE       ARG  49 -13.665  11.155  13.492
  390   HH11  ARG  49          HH11      ARG  49 -14.355  11.370  16.959
  391   HH12  ARG  49          HH12      ARG  49 -15.207  12.890  16.802
  392   HH21  ARG  49          HH21      ARG  49 -14.788  13.069  13.324
  393   HH22  ARG  49          HH22      ARG  49 -15.460  13.860  14.746
  394    H    TYR  50           H        TYR  50  -9.228   8.695  19.658
  395    HA   TYR  50           HA       TYR  50  -9.817  11.368  20.816
  396    HB2  TYR  50           HB2      TYR  50 -10.950   8.840  22.033
  397    HB3  TYR  50           HB3      TYR  50 -11.252  10.499  22.529
  398    HD1  TYR  50           HD2      TYR  50 -12.610  12.008  20.970
  399    HD2  TYR  50           HD1      TYR  50 -12.262   7.750  20.445
  400    HE1  TYR  50           HE2      TYR  50 -14.643  12.022  19.545
  401    HE2  TYR  50           HE1      TYR  50 -14.295   7.747  19.041
  402    HH   TYR  50           HH       TYR  50 -15.969   9.035  18.080
  403    H    THR  51           H        THR  51  -7.938   8.464  20.786
  404    HA   THR  51           HA       THR  51  -6.679   9.256  23.368
  405    HB   THR  51           HB       THR  51  -6.496   6.916  23.971
  406   HG21  THR  51          HG21      THR  51  -8.675   8.118  24.455
  407   HG22  THR  51          HG22      THR  51  -9.340   7.402  22.968
  408   HG23  THR  51          HG23      THR  51  -8.848   6.353  24.309
  409    H    LYS  52           H        LYS  52  -6.345   8.499  20.059
  410    HA   LYS  52           HA       LYS  52  -4.669   8.338  18.651
  411    HB2  LYS  52           HB2      LYS  52  -3.363  10.106  20.749
  412    HB3  LYS  52           HB3      LYS  52  -2.798   9.950  19.079
  413    HG2  LYS  52           HG2      LYS  52  -5.004  10.738  18.252
  414    HG3  LYS  52           HG3      LYS  52  -5.551  10.948  19.933
  415    HD2  LYS  52           HD2      LYS  52  -3.702  12.551  20.329
  416    HD3  LYS  52           HD3      LYS  52  -3.171  12.351  18.646
  417    HE2  LYS  52           HE2      LYS  52  -5.366  13.176  17.857
  418    HE3  LYS  52           HE3      LYS  52  -5.908  13.361  19.531
  419    HZ1  LYS  52           HZ1      LYS  52  -5.123  15.431  18.597
  420    HZ2  LYS  52           HZ2      LYS  52  -4.166  14.976  19.855
  421    HZ3  LYS  52           HZ3      LYS  52  -3.637  14.798  18.313
  422    H    GLU  53           H        GLU  53  -4.584   6.137  20.739
  423    HA   GLU  53           HA       GLU  53  -1.764   5.711  21.328
  424    HB2  GLU  53           HB2      GLU  53  -4.070   3.753  21.643
  425    HB3  GLU  53           HB3      GLU  53  -2.521   3.771  22.513
  426    HG2  GLU  53           HG2      GLU  53  -3.163   6.041  23.416
  427    HG3  GLU  53           HG3      GLU  53  -4.747   5.816  22.645
  428    H    SER  54           H        SER  54  -3.357   5.297  18.458
  429    HA   SER  54           HA       SER  54  -1.976   2.701  17.899
  430    HB2  SER  54           HB2      SER  54  -4.596   3.705  16.742
  431    HB3  SER  54           HB3      SER  54  -3.755   2.209  16.285
  432    HG   SER  54           HG       SER  54  -4.942   2.906  18.736
  433    H    ARG  55           H        ARG  55  -0.746   5.346  17.517
  434    HA   ARG  55           HA       ARG  55  -0.619   5.863  14.691
  435    HB2  ARG  55           HB2      ARG  55   0.137   7.321  16.740
  436    HB3  ARG  55           HB3      ARG  55   1.640   6.391  16.653
  437    HG2  ARG  55           HG2      ARG  55   1.841   7.070  14.223
  438    HG3  ARG  55           HG3      ARG  55   0.404   8.090  14.448
  439    HD2  ARG  55           HD2      ARG  55   1.619   9.303  16.269
  440    HD3  ARG  55           HD3      ARG  55   3.052   8.321  15.944
  441    HE   ARG  55           HE       ARG  55   2.112  10.606  14.428
  442   HH11  ARG  55          HH11      ARG  55   3.907   7.568  14.157
  443   HH12  ARG  55          HH12      ARG  55   4.734   8.061  12.694
  444   HH21  ARG  55          HH21      ARG  55   3.264  11.232  12.556
  445   HH22  ARG  55          HH22      ARG  55   4.408  10.130  11.828
  446    H    GLY  56           H        GLY  56   0.150   3.081  16.234
  447    HA2  GLY  56           HA2      GLY  56   2.807   2.442  15.470
  448    HA3  GLY  56           HA3      GLY  56   1.527   1.302  15.890
  449    H    PHE  57           H        PHE  57   0.075   2.816  13.386
  450    HA   PHE  57           HA       PHE  57   1.586   1.666  11.168
  451    HB2  PHE  57           HB2      PHE  57   0.089  -0.047  10.569
  452    HB3  PHE  57           HB3      PHE  57   0.431  -0.299  12.274
  453    HD1  PHE  57           HD1      PHE  57  -1.295   0.803  13.961
  454    HD2  PHE  57           HD2      PHE  57  -2.086  -0.012   9.810
  455    HE1  PHE  57           HE1      PHE  57  -3.725   0.885  14.409
  456    HE2  PHE  57           HE2      PHE  57  -4.509   0.123  10.239
  457    HZ   PHE  57           HZ       PHE  57  -5.346   0.520  12.561
  458    H    ALA  58           H        ALA  58  -0.115   1.610   9.190
  459    HA   ALA  58           HA       ALA  58  -1.865   3.990   9.263
  460    HB1  ALA  58           HB1      ALA  58   0.307   3.610   7.170
  461    HB2  ALA  58           HB2      ALA  58  -0.810   4.972   7.311
  462    HB3  ALA  58           HB3      ALA  58   0.438   4.732   8.553
  463    H    PHE  59           H        PHE  59  -2.687   4.194   6.771
  464    HA   PHE  59           HA       PHE  59  -3.417   1.522   5.760
  465    HB2  PHE  59           HB2      PHE  59  -4.988   2.310   7.602
  466    HB3  PHE  59           HB3      PHE  59  -5.464   3.635   6.556
  467    HD1  PHE  59           HD1      PHE  59  -5.377   1.697   3.947
  468    HD2  PHE  59           HD2      PHE  59  -7.205   1.531   7.834
  469    HE1  PHE  59           HE1      PHE  59  -7.125   0.189   3.060
  470    HE2  PHE  59           HE2      PHE  59  -8.963   0.054   6.943
  471    HZ   PHE  59           HZ       PHE  59  -8.908  -0.662   4.567
  472    H    VAL  60           H        VAL  60  -1.926   2.405   4.045
  473    HA   VAL  60           HA       VAL  60  -3.099   4.477   2.308
  474    HB   VAL  60           HB       VAL  60  -0.929   2.404   1.760
  475   HG11  VAL  60          HG11      VAL  60  -1.860   4.789   0.129
  476   HG12  VAL  60          HG12      VAL  60  -0.356   3.887  -0.159
  477   HG13  VAL  60          HG13      VAL  60  -1.910   3.073  -0.353
  478   HG21  VAL  60          HG21      VAL  60  -0.316   4.084   3.481
  479   HG22  VAL  60          HG22      VAL  60   0.591   4.337   1.968
  480   HG23  VAL  60          HG23      VAL  60  -0.786   5.388   2.376
  481    H    ARG  61           H        ARG  61  -3.993   3.863   0.060
  482    HA   ARG  61           HA       ARG  61  -4.960   1.109  -0.186
  483    HB2  ARG  61           HB2      ARG  61  -6.593   1.901   1.383
  484    HB3  ARG  61           HB3      ARG  61  -6.797   3.422   0.498
  485    HG2  ARG  61           HG2      ARG  61  -7.814   2.252  -1.388
  486    HG3  ARG  61           HG3      ARG  61  -7.455   0.681  -0.637
  487    HD2  ARG  61           HD2      ARG  61  -9.857   1.521  -0.415
  488    HD3  ARG  61           HD3      ARG  61  -9.038   1.026   1.086
  489    HE   ARG  61           HE       ARG  61  -8.640   3.818   0.702
  490   HH11  ARG  61          HH11      ARG  61 -11.308   1.601   1.334
  491   HH12  ARG  61          HH12      ARG  61 -12.048   2.659   2.522
  492   HH21  ARG  61          HH21      ARG  61  -9.669   5.207   2.151
  493   HH22  ARG  61          HH22      ARG  61 -11.147   4.722   2.952
  494    H    PHE  62           H        PHE  62  -4.245   0.843  -2.231
  495    HA   PHE  62           HA       PHE  62  -4.600   2.884  -4.301
  496    HB2  PHE  62           HB2      PHE  62  -3.748  -0.034  -4.438
  497    HB3  PHE  62           HB3      PHE  62  -3.734   1.080  -5.794
  498    HD1  PHE  62           HD1      PHE  62  -2.285   0.642  -2.352
  499    HD2  PHE  62           HD2      PHE  62  -1.802   2.320  -6.284
  500    HE1  PHE  62           HE1      PHE  62   0.061   1.218  -1.821
  501    HE2  PHE  62           HE2      PHE  62   0.547   2.869  -5.761
  502    HZ   PHE  62           HZ       PHE  62   1.499   2.282  -3.551
  503    H    HIS  63           H        HIS  63  -5.701   2.263  -6.395
  504    HA   HIS  63           HA       HIS  63  -8.182   0.697  -5.880
  505    HB2  HIS  63           HB2      HIS  63  -8.038   3.367  -7.308
  506    HB3  HIS  63           HB3      HIS  63  -9.486   2.413  -6.973
  507    HD2  HIS  63           HD2      HIS  63  -7.671   5.303  -5.711
  508    HE1  HIS  63           HE1      HIS  63  -9.627   3.822  -2.235
  509    HE2  HIS  63           HE2      HIS  63  -8.375   5.800  -3.236
  510    H    ASP  64           H        ASP  64  -5.477   0.610  -7.653
  511    HA   ASP  64           HA       ASP  64  -6.938  -0.434 -10.022
  512    HB2  ASP  64           HB2      ASP  64  -5.952   1.861 -10.422
  513    HB3  ASP  64           HB3      ASP  64  -4.349   1.146 -10.170
  514    H    LYS  65           H        LYS  65  -6.280  -2.412 -10.654
  515    HA   LYS  65           HA       LYS  65  -4.898  -3.951  -8.735
  516    HB2  LYS  65           HB2      LYS  65  -5.260  -5.801 -10.217
  517    HB3  LYS  65           HB3      LYS  65  -6.694  -4.762 -10.235
  518    HG2  LYS  65           HG2      LYS  65  -5.834  -3.712 -12.362
  519    HG3  LYS  65           HG3      LYS  65  -4.494  -4.873 -12.347
  520    HD2  LYS  65           HD2      LYS  65  -7.461  -5.516 -12.503
  521    HD3  LYS  65           HD3      LYS  65  -6.298  -5.634 -13.834
  522    HE2  LYS  65           HE2      LYS  65  -6.241  -7.259 -11.256
  523    HE3  LYS  65           HE3      LYS  65  -6.807  -7.842 -12.827
  524    HZ1  LYS  65           HZ1      LYS  65  -4.580  -8.534 -12.473
  525    HZ2  LYS  65           HZ2      LYS  65  -4.577  -7.433 -13.687
  526    HZ3  LYS  65           HZ3      LYS  65  -4.058  -7.020 -12.174
  527    H    ARG  66           H        ARG  66  -3.656  -2.388 -11.707
  528    HA   ARG  66           HA       ARG  66  -1.350  -4.137 -11.787
  529    HB2  ARG  66           HB2      ARG  66  -0.564  -2.714 -13.563
  530    HB3  ARG  66           HB3      ARG  66  -2.307  -2.987 -13.767
  531    HG2  ARG  66           HG2      ARG  66  -2.704  -0.752 -12.631
  532    HG3  ARG  66           HG3      ARG  66  -0.946  -0.485 -12.679
  533    HD2  ARG  66           HD2      ARG  66  -2.734  -0.981 -15.093
  534    HD3  ARG  66           HD3      ARG  66  -2.092   0.593 -14.596
  535    HE   ARG  66           HE       ARG  66   0.048  -1.289 -14.889
  536   HH11  ARG  66          HH11      ARG  66  -2.238   0.612 -16.807
  537   HH12  ARG  66          HH12      ARG  66  -1.178   0.722 -18.190
  538   HH21  ARG  66          HH21      ARG  66   1.419  -1.134 -16.720
  539   HH22  ARG  66          HH22      ARG  66   0.872  -0.273 -18.139
  540    H    ASP  67           H        ASP  67  -1.996  -0.881 -10.434
  541    HA   ASP  67           HA       ASP  67   0.763  -0.529  -9.560
  542    HB2  ASP  67           HB2      ASP  67  -1.806   0.858  -8.699
  543    HB3  ASP  67           HB3      ASP  67  -0.159   1.417  -8.367
  544    H    ALA  68           H        ALA  68  -2.237  -1.894  -8.293
  545    HA   ALA  68           HA       ALA  68  -1.473  -2.030  -5.534
  546    HB1  ALA  68           HB1      ALA  68  -3.456  -3.561  -7.276
  547    HB2  ALA  68           HB2      ALA  68  -3.369  -3.736  -5.523
  548    HB3  ALA  68           HB3      ALA  68  -3.803  -2.159  -6.235
  549    H    GLU  69           H        GLU  69  -1.241  -4.387  -8.282
  550    HA   GLU  69           HA       GLU  69  -0.276  -6.487  -6.572
  551    HB2  GLU  69           HB2      GLU  69  -0.207  -6.082  -9.587
  552    HB3  GLU  69           HB3      GLU  69   0.420  -7.533  -8.777
  553    HG2  GLU  69           HG2      GLU  69  -1.758  -8.014  -7.803
  554    HG3  GLU  69           HG3      GLU  69  -2.437  -6.530  -8.479
  555    H    ASP  70           H        ASP  70   1.355  -3.922  -8.494
  556    HA   ASP  70           HA       ASP  70   3.996  -5.028  -8.021
  557    HB2  ASP  70           HB2      ASP  70   2.976  -2.253  -8.764
  558    HB3  ASP  70           HB3      ASP  70   4.684  -2.637  -8.542
  559    H    ALA  71           H        ALA  71   1.856  -2.729  -6.295
  560    HA   ALA  71           HA       ALA  71   3.815  -1.669  -4.560
  561    HB1  ALA  71           HB1      ALA  71   0.833  -2.100  -4.143
  562    HB2  ALA  71           HB2      ALA  71   1.872  -1.063  -3.133
  563    HB3  ALA  71           HB3      ALA  71   1.605  -0.661  -4.842
  564    H    MET  72           H        MET  72   1.919  -4.722  -4.381
  565    HA   MET  72           HA       MET  72   3.039  -5.205  -1.688
  566    HB2  MET  72           HB2      MET  72   1.661  -7.206  -1.661
  567    HB3  MET  72           HB3      MET  72   0.674  -5.827  -2.197
  568    HG2  MET  72           HG2      MET  72   1.051  -6.473  -4.523
  569    HG3  MET  72           HG3      MET  72   2.002  -7.879  -4.002
  570    HE1  MET  72           HE1      MET  72   0.753  -9.694  -5.232
  571    HE2  MET  72           HE2      MET  72  -1.012  -9.742  -5.413
  572    HE3  MET  72           HE3      MET  72  -0.082  -8.367  -6.059
  573    H    ASP  73           H        ASP  73   3.585  -6.169  -5.060
  574    HA   ASP  73           HA       ASP  73   5.229  -8.441  -4.456
  575    HB2  ASP  73           HB2      ASP  73   4.137  -8.029  -6.654
  576    HB3  ASP  73           HB3      ASP  73   5.193  -6.627  -6.901
  577    H    ALA  74           H        ALA  74   5.753  -5.119  -3.916
  578    HA   ALA  74           HA       ALA  74   8.694  -5.613  -3.740
  579    HB1  ALA  74           HB1      ALA  74   7.213  -3.199  -4.786
  580    HB2  ALA  74           HB2      ALA  74   8.987  -3.265  -4.540
  581    HB3  ALA  74           HB3      ALA  74   8.205  -4.318  -5.748
  582    H    MET  75           H        MET  75   5.867  -4.617  -2.062
  583    HA   MET  75           HA       MET  75   7.648  -3.451   0.064
  584    HB2  MET  75           HB2      MET  75   4.740  -2.833  -0.451
  585    HB3  MET  75           HB3      MET  75   5.708  -2.189   0.870
  586    HG2  MET  75           HG2      MET  75   6.399  -1.723  -2.053
  587    HG3  MET  75           HG3      MET  75   5.345  -0.672  -1.112
  588    HE1  MET  75           HE1      MET  75   6.527   1.249  -1.780
  589    HE2  MET  75           HE2      MET  75   6.277   1.544  -0.056
  590    HE3  MET  75           HE3      MET  75   7.841   1.945  -0.803
  591    H    ASP  76           H        ASP  76   5.049  -5.878  -0.607
  592    HA   ASP  76           HA       ASP  76   4.429  -6.235   2.153
  593    HB2  ASP  76           HB2      ASP  76   3.047  -7.080   0.237
  594    HB3  ASP  76           HB3      ASP  76   4.296  -8.297  -0.076
  595    H    GLY  77           H        GLY  77   5.598  -7.115   3.738
  596    HA2  GLY  77           HA2      GLY  77   7.045  -8.569   4.827
  597    HA3  GLY  77           HA3      GLY  77   7.452  -9.318   3.273
  598    H    ALA  78           H        ALA  78   7.793  -6.030   2.799
  599    HA   ALA  78           HA       ALA  78  10.672  -6.119   2.770
  600    HB1  ALA  78           HB1      ALA  78   8.747  -3.781   2.520
  601    HB2  ALA  78           HB2      ALA  78  10.465  -3.775   2.065
  602    HB3  ALA  78           HB3      ALA  78   9.318  -4.806   1.183
  603    H    VAL  79           H        VAL  79  11.623  -3.806   3.730
  604    HA   VAL  79           HA       VAL  79  10.970  -3.734   6.638
  605    HB   VAL  79           HB       VAL  79  13.737  -3.992   5.373
  606   HG11  VAL  79          HG11      VAL  79  13.832  -2.535   7.320
  607   HG12  VAL  79          HG12      VAL  79  12.909  -3.707   8.290
  608   HG13  VAL  79          HG13      VAL  79  14.540  -4.109   7.716
  609   HG21  VAL  79          HG21      VAL  79  12.587  -6.147   5.409
  610   HG22  VAL  79          HG22      VAL  79  13.815  -6.119   6.692
  611   HG23  VAL  79          HG23      VAL  79  12.094  -5.906   7.093
  612    H    LEU  80           H        LEU  80  11.288  -1.745   7.606
  613    HA   LEU  80           HA       LEU  80  11.713   0.540   5.740
  614    HB2  LEU  80           HB2      LEU  80   9.543   0.266   6.943
  615    HB3  LEU  80           HB3      LEU  80  10.379   0.404   8.479
  616    HG   LEU  80           HG       LEU  80   9.197   2.439   7.775
  617   HD11  LEU  80          HD11      LEU  80  12.177   2.989   7.795
  618   HD12  LEU  80          HD12      LEU  80  10.868   4.067   8.295
  619   HD13  LEU  80          HD13      LEU  80  11.210   2.603   9.246
  620   HD21  LEU  80          HD21      LEU  80   9.555   2.209   5.321
  621   HD22  LEU  80          HD22      LEU  80  10.024   3.818   5.925
  622   HD23  LEU  80          HD23      LEU  80  11.271   2.622   5.548
  623    H    ASP  81           H        ASP  81  12.379  -0.493   9.118
  624    HA   ASP  81           HA       ASP  81  15.081   0.713   8.898
  625    HB2  ASP  81           HB2      ASP  81  13.543   2.416   9.862
  626    HB3  ASP  81           HB3      ASP  81  13.138   1.294  11.167
  627    H    GLY  82           H        GLY  82  13.145  -1.935   9.804
  628    HA2  GLY  82           HA2      GLY  82  15.104  -3.668  10.420
  629    HA3  GLY  82           HA3      GLY  82  14.876  -2.846  11.983
  630    H    ARG  83           H        ARG  83  11.868  -2.556  10.976
  631    HA   ARG  83           HA       ARG  83  10.986  -5.169  12.073
  632    HB2  ARG  83           HB2      ARG  83   8.820  -4.107  12.280
  633    HB3  ARG  83           HB3      ARG  83  10.053  -3.101  13.046
  634    HG2  ARG  83           HG2      ARG  83   9.997  -1.497  11.276
  635    HG3  ARG  83           HG3      ARG  83   9.148  -2.604  10.180
  636    HD2  ARG  83           HD2      ARG  83   7.632  -0.886  11.134
  637    HD3  ARG  83           HD3      ARG  83   7.156  -2.552  11.523
  638    HE   ARG  83           HE       ARG  83   8.805  -1.298  13.578
  639   HH11  ARG  83          HH11      ARG  83   5.513  -1.702  12.353
  640   HH12  ARG  83          HH12      ARG  83   4.772  -1.467  13.921
  641   HH21  ARG  83          HH21      ARG  83   7.810  -1.015  15.621
  642   HH22  ARG  83          HH22      ARG  83   6.069  -1.047  15.749
  643    H    GLU  84           H        GLU  84   8.442  -5.079  10.804
  644    HA   GLU  84           HA       GLU  84   9.200  -5.949   8.037
  645    HB2  GLU  84           HB2      GLU  84   7.128  -6.968  10.018
  646    HB3  GLU  84           HB3      GLU  84   7.064  -7.331   8.286
  647    HG2  GLU  84           HG2      GLU  84   9.403  -8.241   8.446
  648    HG3  GLU  84           HG3      GLU  84   9.339  -7.978  10.203
  649    H    LEU  85           H        LEU  85   7.333  -5.831   6.516
  650    HA   LEU  85           HA       LEU  85   5.494  -3.564   7.053
  651    HB2  LEU  85           HB2      LEU  85   7.220  -3.992   4.577
  652    HB3  LEU  85           HB3      LEU  85   5.914  -2.805   4.703
  653    HG   LEU  85           HG       LEU  85   8.437  -2.875   6.416
  654   HD11  LEU  85          HD11      LEU  85   7.545  -1.005   4.179
  655   HD12  LEU  85          HD12      LEU  85   9.025  -0.839   5.152
  656   HD13  LEU  85          HD13      LEU  85   8.835  -2.227   4.069
  657   HD21  LEU  85          HD21      LEU  85   6.527  -1.897   7.652
  658   HD22  LEU  85          HD22      LEU  85   7.680  -0.647   7.194
  659   HD23  LEU  85          HD23      LEU  85   6.169  -0.842   6.265
  660    H    ARG  86           H        ARG  86   3.610  -3.602   5.547
  661    HA   ARG  86           HA       ARG  86   2.973  -6.324   4.544
  662    HB2  ARG  86           HB2      ARG  86   1.592  -4.769   6.767
  663    HB3  ARG  86           HB3      ARG  86   0.744  -6.017   5.874
  664    HG2  ARG  86           HG2      ARG  86   3.290  -6.349   7.531
  665    HG3  ARG  86           HG3      ARG  86   1.655  -6.869   7.977
  666    HD2  ARG  86           HD2      ARG  86   1.619  -8.373   5.977
  667    HD3  ARG  86           HD3      ARG  86   3.317  -7.954   5.669
  668    HE   ARG  86           HE       ARG  86   2.229  -9.517   7.923
  669   HH11  ARG  86          HH11      ARG  86   5.058  -8.065   6.361
  670   HH12  ARG  86          HH12      ARG  86   6.191  -9.060   7.269
  671   HH21  ARG  86          HH21      ARG  86   3.780 -10.821   9.040
  672   HH22  ARG  86          HH22      ARG  86   5.491 -10.559   8.745
  673    H    VAL  87           H        VAL  87   1.590  -6.347   2.884
  674    HA   VAL  87           HA       VAL  87  -0.032  -3.983   2.225
  675    HB   VAL  87           HB       VAL  87   2.054  -5.131   0.309
  676   HG11  VAL  87          HG11      VAL  87   1.305  -3.292  -1.155
  677   HG12  VAL  87          HG12      VAL  87  -0.042  -4.396  -0.778
  678   HG13  VAL  87          HG13      VAL  87   0.070  -2.832   0.045
  679   HG21  VAL  87          HG21      VAL  87   3.234  -3.723   1.865
  680   HG22  VAL  87          HG22      VAL  87   2.933  -2.743   0.410
  681   HG23  VAL  87          HG23      VAL  87   1.922  -2.515   1.846
  682    H    GLN  88           H        GLN  88  -2.010  -4.807   1.663
  683    HA   GLN  88           HA       GLN  88  -2.302  -7.015  -0.145
  684    HB2  GLN  88           HB2      GLN  88  -3.389  -8.598   1.344
  685    HB3  GLN  88           HB3      GLN  88  -1.734  -8.325   1.884
  686    HG2  GLN  88           HG2      GLN  88  -4.188  -6.957   3.071
  687    HG3  GLN  88           HG3      GLN  88  -3.469  -8.427   3.717
  688   HE21  GLN  88          HE22      GLN  88  -3.584  -5.160   4.158
  689   HE22  GLN  88          HE21      GLN  88  -2.053  -4.926   4.980
  690    H    MET  89           H        MET  89  -4.637  -7.567  -0.491
  691    HA   MET  89           HA       MET  89  -6.113  -5.169  -0.840
  692    HB2  MET  89           HB2      MET  89  -6.910  -8.089  -1.068
  693    HB3  MET  89           HB3      MET  89  -7.940  -6.718  -1.529
  694    HG2  MET  89           HG2      MET  89  -6.837  -7.455  -3.519
  695    HG3  MET  89           HG3      MET  89  -6.135  -5.909  -3.043
  696    HE1  MET  89           HE1      MET  89  -2.924  -7.270  -4.557
  697    HE2  MET  89           HE2      MET  89  -4.578  -7.293  -5.226
  698    HE3  MET  89           HE3      MET  89  -3.989  -5.881  -4.311
  699    H    ALA  90           H        ALA  90  -8.112  -4.497   0.015
  700    HA   ALA  90           HA       ALA  90  -8.210  -4.616   2.867
  701    HB1  ALA  90           HB1      ALA  90  -8.819  -2.632   1.555
  702    HB2  ALA  90           HB2      ALA  90 -10.198  -3.503   0.848
  703    HB3  ALA  90           HB3      ALA  90 -10.162  -3.142   2.594
  704    H    ARG  91           H        ARG  91 -10.516  -4.843   3.908
  705    HA   ARG  91           HA       ARG  91 -11.808  -7.380   2.985
  706    HB2  ARG  91           HB2      ARG  91 -11.277  -6.409   5.815
  707    HB3  ARG  91           HB3      ARG  91 -12.197  -7.867   5.380
  708    HG2  ARG  91           HG2      ARG  91 -10.190  -8.849   4.344
  709    HG3  ARG  91           HG3      ARG  91  -9.276  -7.361   4.697
  710    HD2  ARG  91           HD2      ARG  91  -9.639  -7.677   7.106
  711    HD3  ARG  91           HD3      ARG  91 -10.573  -9.151   6.795
  712    HE   ARG  91           HE       ARG  91  -7.664  -8.833   6.696
  713   HH11  ARG  91          HH11      ARG  91 -10.412 -10.812   5.698
  714   HH12  ARG  91          HH12      ARG  91  -9.445 -12.252   5.475
  715   HH21  ARG  91          HH21      ARG  91  -6.427 -10.707   6.404
  716   HH22  ARG  91          HH22      ARG  91  -7.180 -12.190   5.864
  717    H    TYR  92           H        TYR  92 -12.188  -4.060   3.692
  718    HA   TYR  92           HA       TYR  92 -15.118  -4.257   3.489
  719    HB2  TYR  92           HB2      TYR  92 -13.784  -2.751   5.773
  720    HB3  TYR  92           HB3      TYR  92 -15.507  -2.924   5.481
  721    HD1  TYR  92           HD2      TYR  92 -16.599  -5.187   5.798
  722    HD2  TYR  92           HD1      TYR  92 -12.571  -4.348   7.040
  723    HE1  TYR  92           HE2      TYR  92 -16.655  -7.155   7.311
  724    HE2  TYR  92           HE1      TYR  92 -12.601  -6.311   8.532
  725    HH   TYR  92           HH       TYR  92 -13.833  -8.087   9.326
  726    H    GLY  93           H        GLY  93 -16.038  -1.942   3.361
  727    HA2  GLY  93           HA2      GLY  93 -14.177  -0.162   1.897
  728    HA3  GLY  93           HA3      GLY  93 -15.942   0.017   2.070
  729    H    ARG  94           H        ARG  94 -15.962  -0.469   4.965
  730    HA   ARG  94           HA       ARG  94 -14.215   1.451   6.254
  731    HB2  ARG  94           HB2      ARG  94 -17.254   1.739   6.168
  732    HB3  ARG  94           HB3      ARG  94 -16.206   2.542   7.351
  733    HG2  ARG  94           HG2      ARG  94 -14.966   3.616   5.434
  734    HG3  ARG  94           HG3      ARG  94 -16.220   2.962   4.344
  735    HD2  ARG  94           HD2      ARG  94 -17.963   4.146   5.609
  736    HD3  ARG  94           HD3      ARG  94 -16.756   4.725   6.765
  737    HE   ARG  94           HE       ARG  94 -17.308   5.777   4.094
  738   HH11  ARG  94          HH11      ARG  94 -14.885   5.566   6.687
  739   HH12  ARG  94          HH12      ARG  94 -14.093   7.040   6.219
  740   HH21  ARG  94          HH21      ARG  94 -16.221   7.701   3.510
  741   HH22  ARG  94          HH22      ARG  94 -14.833   8.240   4.433
  742    HA   PRO  95           HA       PRO  95 -14.550  -1.603   9.453
  743    HB2  PRO  95           HB2      PRO  95 -14.574   0.070  11.697
  744    HB3  PRO  95           HB3      PRO  95 -13.128  -0.419  10.760
  745    HG2  PRO  95           HG2      PRO  95 -14.771   2.128  10.433
  746    HG3  PRO  95           HG3      PRO  95 -12.980   1.987  10.510
  747    HD2  PRO  95           HD2      PRO  95 -14.201   2.203   8.167
  748    HD3  PRO  95           HD3      PRO  95 -12.903   0.983   8.380
  749    HA   PRO  96           HA       PRO  96 -18.958  -1.969   9.901
  750    HB2  PRO  96           HB2      PRO  96 -18.152  -3.753  12.191
  751    HB3  PRO  96           HB3      PRO  96 -19.346  -4.064  10.890
  752    HG2  PRO  96           HG2      PRO  96 -16.877  -5.178  10.766
  753    HG3  PRO  96           HG3      PRO  96 -17.618  -4.451   9.295
  754    HD2  PRO  96           HD2      PRO  96 -15.545  -3.254  11.139
  755    HD3  PRO  96           HD3      PRO  96 -15.621  -3.245   9.348
  756    H    ASP  97           H        ASP  97 -16.866  -1.240  12.706
  757    HA   ASP  97           HA       ASP  97 -18.746   0.759  13.643
  758    HB2  ASP  97           HB2      ASP  97 -19.744  -1.268  14.644
  759    HB3  ASP  97           HB3      ASP  97 -18.172  -1.728  15.312
  760    H    SER  98           H        SER  98 -17.583   2.376  14.468
  761    HA   SER  98           HA       SER  98 -15.349   1.986  16.256
  762    HB2  SER  98           HB2      SER  98 -13.651   3.108  14.825
  763    HB3  SER  98           HB3      SER  98 -14.173   1.562  14.124
  764    HG   SER  98           HG       SER  98 -14.142   3.295  12.598
  765    H    HIS  99           H        HIS  99 -17.617   3.916  14.469
  766    HA   HIS  99           HA       HIS  99 -17.365   6.154  16.340
  767    HB2  HIS  99           HB2      HIS  99 -15.681   6.585  14.526
  768    HB3  HIS  99           HB3      HIS  99 -16.992   6.497  13.336
  769    HD2  HIS  99           HD2      HIS  99 -17.376   8.926  12.539
  770    HE1  HIS  99           HE1      HIS  99 -17.358  10.942  16.289
  771    HE2  HIS  99           HE2      HIS  99 -17.681  11.218  13.769
  772    H    HIS 100           H        HIS 100 -19.344   4.114  15.887
  773    HA   HIS 100           HA       HIS 100 -21.557   5.652  14.613
  774    HB2  HIS 100           HB2      HIS 100 -21.108   2.674  14.287
  775    HB3  HIS 100           HB3      HIS 100 -22.239   3.709  13.408
  776    HD2  HIS 100           HD2      HIS 100 -21.235   5.192  11.384
  777    HE1  HIS 100           HE1      HIS 100 -17.332   3.490  11.371
  778    HE2  HIS 100           HE2      HIS 100 -18.953   5.004  10.104
  779    H    SER 101           H        SER 101 -23.694   4.364  15.040
  780    HA   SER 101           HA       SER 101 -23.812   3.136  17.718
  781    HB2  SER 101           HB2      SER 101 -25.284   5.691  16.968
  782    HB3  SER 101           HB3      SER 101 -25.595   4.716  18.419
  783    HG   SER 101           HG       SER 101 -23.132   5.956  17.736
  784    H5'    U 102           H5'        U 102  -3.119  -5.641  10.601
  785   H5''    U 102          H5''        U 102  -1.447  -5.530  11.216
  786    H4'    U 102           H4'        U 102  -3.806  -5.362  13.128
  787    H3'    U 102           H3'        U 102  -2.520  -3.194  11.438
  788    H2'    U 102           H2'        U 102  -2.473  -1.781  13.306
  789   HO2'    U 102          HO2'        U 102  -4.738  -2.158  13.799
  790    H1'    U 102           H1'        U 102  -2.322  -3.852  15.253
  791    H3     U 102           H3         U 102   2.189  -2.527  12.741
  792    H5     U 102           H5         U 102   1.282  -1.634  16.742
  793    H6     U 102           H6         U 102  -0.960  -2.571  16.360
  794   HO5'    U 102          HO5'        U 102  -2.230  -7.704  11.056
  795    H5'    C 103           H5'        C 103  -5.997  -1.596   9.136
  796   H5''    C 103          H5''        C 103  -6.330  -1.217  10.840
  797    H4'    C 103           H4'        C 103  -8.160  -0.307   9.693
  798    H3'    C 103           H3'        C 103  -8.764  -2.339  11.444
  799    H2'    C 103           H2'        C 103  -8.788  -4.127   9.907
  800   HO2'    C 103          HO2'        C 103 -11.372  -2.962   9.815
  801    H1'    C 103           H1'        C 103 -10.177  -2.557   7.767
  802    H41    C 103           H41        C 103  -7.144  -6.487   3.805
  803    H42    C 103           H42        C 103  -6.111  -7.067   5.095
  804    H5     C 103           H5         C 103  -6.268  -6.261   7.394
  805    H6     C 103           H6         C 103  -7.350  -4.711   8.845
  806    H5'    C 104           H5'        C 104  -9.625   2.814  11.653
  807   H5''    C 104          H5''        C 104 -11.384   2.764  11.617
  808    H4'    C 104           H4'        C 104 -10.177   4.684  10.360
  809    H3'    C 104           H3'        C 104 -12.261   2.987   8.975
  810    H2'    C 104           H2'        C 104 -12.070   4.407   7.143
  811   HO2'    C 104          HO2'        C 104 -11.996   6.443   8.282
  812    H1'    C 104           H1'        C 104  -9.339   4.654   7.259
  813    H41    C 104           H41        C 104 -11.228   0.252   3.009
  814    H42    C 104           H42        C 104 -11.831  -0.798   4.275
  815    H5     C 104           H5         C 104 -11.753  -0.169   6.651
  816    H6     C 104           H6         C 104 -11.088   1.589   8.203
  817    H5'    A 105           H5'        A 105 -16.199   6.672  10.190
  818   H5''    A 105          H5''        A 105 -15.604   8.167   9.482
  819    H4'    A 105           H4'        A 105 -15.336   8.227  11.898
  820    H3'    A 105           H3'        A 105 -13.119   8.579  10.034
  821    H2'    A 105           H2'        A 105 -11.831   7.033  11.149
  822   HO2'    A 105          HO2'        A 105 -10.950   9.115  11.834
  823    H1'    A 105           H1'        A 105 -13.541   7.597  13.622
  824    H8     A 105           H8         A 105 -11.318   4.987  11.859
  825    H61    A 105           H61        A 105  -9.925   3.144  17.617
  826    H62    A 105           H62        A 105  -9.624   2.852  15.913
  827    H2     A 105           H2         A 105 -12.973   6.342  17.887
  828    H5'    G 106           H5'        G 106 -11.287  11.258  10.793
  829   H5''    G 106          H5''        G 106 -12.121  12.810  10.951
  830    H4'    G 106           H4'        G 106 -10.308  13.247   9.555
  831    H3'    G 106           H3'        G 106 -12.907  13.567   8.545
  832    H2'    G 106           H2'        G 106 -12.963  12.042   6.859
  833   HO2'    G 106          HO2'        G 106 -11.078  13.927   5.894
  834    H1'    G 106           H1'        G 106 -10.082  11.750   6.343
  835    H8     G 106           H8         G 106 -13.165  10.008   7.954
  836    H1     G 106           H1         G 106  -9.824   6.575   3.671
  837    H21    G 106           H21        G 106  -8.120   7.768   2.947
  838    H22    G 106           H22        G 106  -7.694   9.310   3.663
  839    H5'    U 107           H5'        U 107 -11.700  16.520   5.759
  840   H5''    U 107          H5''        U 107 -12.310  18.073   6.378
  841    H4'    U 107           H4'        U 107 -14.662  17.117   5.756
  842    H3'    U 107           H3'        U 107 -12.790  15.199   4.365
  843   HO3'    U 107          HO3'        U 107 -14.165  14.437   6.022
  844    H2'    U 107           H2'        U 107 -14.136  15.262   2.393
  845   HO2'    U 107          HO2'        U 107 -16.160  15.356   3.744
  846    H1'    U 107           H1'        U 107 -14.472  17.935   2.318
  847    H3     U 107           H3         U 107  -9.287  17.727   2.247
  848    H5     U 107           H5         U 107 -11.558  16.043  -0.851
  849    H6     U 107           H6         U 107 -13.531  16.326   0.506
  Start of MODEL    4
    1    H    MET   1           H1       MET   1  -3.843  22.227   3.344
    2    HA   MET   1           HA       MET   1  -4.346  20.437   4.825
    3    HB2  MET   1           HB2      MET   1  -6.142  18.908   4.401
    4    HB3  MET   1           HB3      MET   1  -6.819  20.536   4.486
    5    HG2  MET   1           HG2      MET   1  -6.182  19.022   1.922
    6    HG3  MET   1           HG3      MET   1  -7.773  19.127   2.658
    7    HE1  MET   1           HE1      MET   1  -8.822  19.855   0.399
    8    HE2  MET   1           HE2      MET   1  -8.201  21.207  -0.588
    9    HE3  MET   1           HE3      MET   1  -7.219  19.744  -0.357
   10    H    SER   2           H        SER   2  -4.242  17.943   4.032
   11    HA   SER   2           HA       SER   2  -2.821  17.787   1.445
   12    HB2  SER   2           HB2      SER   2  -1.178  18.301   3.283
   13    HB3  SER   2           HB3      SER   2  -1.623  16.758   4.050
   14    HG   SER   2           HG       SER   2   0.209  16.588   2.684
   15    H    TYR   3           H        TYR   3  -5.268  16.707   3.278
   16    HA   TYR   3           HA       TYR   3  -5.252  14.023   2.021
   17    HB2  TYR   3           HB2      TYR   3  -5.919  14.466   4.958
   18    HB3  TYR   3           HB3      TYR   3  -5.925  12.948   4.083
   19    HD1  TYR   3           HD2      TYR   3  -3.856  11.823   3.437
   20    HD2  TYR   3           HD1      TYR   3  -3.809  15.483   5.696
   21    HE1  TYR   3           HE2      TYR   3  -1.454  11.461   3.960
   22    HE2  TYR   3           HE1      TYR   3  -1.404  15.165   6.179
   23    HH   TYR   3           HH       TYR   3   0.444  13.854   5.848
   24    H    GLY   4           H        GLY   4  -7.557  12.996   2.538
   25    HA2  GLY   4           HA2      GLY   4  -9.722  14.789   3.052
   26    HA3  GLY   4           HA3      GLY   4  -9.492  14.565   1.301
   27    H    ARG   5           H        ARG   5 -11.853  13.777   2.384
   28    HA   ARG   5           HA       ARG   5 -12.108  11.218   3.381
   29    HB2  ARG   5           HB2      ARG   5 -14.394  11.331   2.482
   30    HB3  ARG   5           HB3      ARG   5 -13.909  12.859   3.222
   31    HG2  ARG   5           HG2      ARG   5 -13.329  13.722   0.906
   32    HG3  ARG   5           HG3      ARG   5 -13.999  12.227   0.235
   33    HD2  ARG   5           HD2      ARG   5 -15.497  14.265   1.941
   34    HD3  ARG   5           HD3      ARG   5 -15.637  14.081   0.196
   35    HE   ARG   5           HE       ARG   5 -16.782  12.000   0.492
   36   HH11  ARG   5          HH11      ARG   5 -16.015  13.601   3.559
   37   HH12  ARG   5          HH12      ARG   5 -17.201  12.679   4.460
   38   HH21  ARG   5          HH21      ARG   5 -18.311  10.833   1.698
   39   HH22  ARG   5          HH22      ARG   5 -18.486  11.109   3.414
   40    HA   PRO   6           HA       PRO   6 -10.945   8.388   0.271
   41    HB2  PRO   6           HB2      PRO   6 -12.772   6.345   0.664
   42    HB3  PRO   6           HB3      PRO   6 -11.390   6.693   1.756
   43    HG2  PRO   6           HG2      PRO   6 -14.266   7.562   2.057
   44    HG3  PRO   6           HG3      PRO   6 -13.182   6.867   3.309
   45    HD2  PRO   6           HD2      PRO   6 -13.585   9.566   3.118
   46    HD3  PRO   6           HD3      PRO   6 -11.972   8.920   3.512
   47    HA   PRO   7           HA       PRO   7 -13.464   9.288  -3.220
   48    HB2  PRO   7           HB2      PRO   7 -12.655   7.409  -5.035
   49    HB3  PRO   7           HB3      PRO   7 -11.563   8.700  -4.437
   50    HG2  PRO   7           HG2      PRO   7 -11.779   5.844  -3.453
   51    HG3  PRO   7           HG3      PRO   7 -10.292   6.760  -3.900
   52    HD2  PRO   7           HD2      PRO   7 -11.138   6.526  -1.310
   53    HD3  PRO   7           HD3      PRO   7 -10.371   8.030  -1.914
   54    HA   PRO   8           HA       PRO   8 -16.982   6.510  -3.333
   55    HB2  PRO   8           HB2      PRO   8 -18.247   7.329  -5.568
   56    HB3  PRO   8           HB3      PRO   8 -18.001   8.461  -4.208
   57    HG2  PRO   8           HG2      PRO   8 -16.305   8.178  -6.696
   58    HG3  PRO   8           HG3      PRO   8 -17.005   9.682  -6.005
   59    HD2  PRO   8           HD2      PRO   8 -14.429   8.874  -5.480
   60    HD3  PRO   8           HD3      PRO   8 -15.436   9.733  -4.264
   61    H    ASP   9           H        ASP   9 -18.127   5.011  -4.976
   62    HA   ASP   9           HA       ASP   9 -18.169   3.255  -6.337
   63    HB2  ASP   9           HB2      ASP   9 -16.134   4.833  -7.937
   64    HB3  ASP   9           HB3      ASP   9 -17.099   3.475  -8.540
   65    H    VAL  10           H        VAL  10 -15.948   3.394  -4.172
   66    HA   VAL  10           HA       VAL  10 -13.792   1.836  -5.142
   67    HB   VAL  10           HB       VAL  10 -14.958   2.053  -2.334
   68   HG11  VAL  10          HG11      VAL  10 -12.232   1.064  -3.284
   69   HG12  VAL  10          HG12      VAL  10 -12.666   1.409  -1.594
   70   HG13  VAL  10          HG13      VAL  10 -13.479   0.096  -2.454
   71   HG21  VAL  10          HG21      VAL  10 -14.240   4.207  -3.339
   72   HG22  VAL  10          HG22      VAL  10 -13.149   3.714  -2.030
   73   HG23  VAL  10          HG23      VAL  10 -12.660   3.495  -3.726
   74    H    GLU  11           H        GLU  11 -17.085   1.029  -4.477
   75    HA   GLU  11           HA       GLU  11 -16.787  -1.776  -3.949
   76    HB2  GLU  11           HB2      GLU  11 -19.116  -0.236  -5.154
   77    HB3  GLU  11           HB3      GLU  11 -19.189  -1.868  -4.456
   78    HG2  GLU  11           HG2      GLU  11 -18.435  -0.929  -2.268
   79    HG3  GLU  11           HG3      GLU  11 -18.442   0.690  -2.980
   80    H    GLY  12           H        GLY  12 -15.901  -0.089  -6.638
   81    HA2  GLY  12           HA2      GLY  12 -16.224  -2.445  -8.431
   82    HA3  GLY  12           HA3      GLY  12 -16.684  -0.826  -8.990
   83    H    MET  13           H        MET  13 -13.989  -1.106  -6.776
   84    HA   MET  13           HA       MET  13 -11.987  -1.053  -8.962
   85    HB2  MET  13           HB2      MET  13 -12.233   1.035  -6.757
   86    HB3  MET  13           HB3      MET  13 -10.870   0.884  -7.877
   87    HG2  MET  13           HG2      MET  13 -12.479   1.194  -9.785
   88    HG3  MET  13           HG3      MET  13 -13.744   1.541  -8.604
   89    HE1  MET  13           HE1      MET  13 -12.078   3.225  -6.387
   90    HE2  MET  13           HE2      MET  13 -12.435   4.871  -6.954
   91    HE3  MET  13           HE3      MET  13 -13.707   3.628  -6.972
   92    H    THR  14           H        THR  14  -9.721  -1.136  -7.972
   93    HA   THR  14           HA       THR  14  -9.502  -3.333  -6.168
   94    HB   THR  14           HB       THR  14  -7.402  -1.270  -6.921
   95   HG21  THR  14          HG21      THR  14  -7.225  -4.185  -6.061
   96   HG22  THR  14          HG22      THR  14  -5.879  -3.261  -6.765
   97   HG23  THR  14          HG23      THR  14  -6.560  -2.765  -5.208
   98    H    SER  15           H        SER  15  -8.254  -3.222  -4.072
   99    HA   SER  15           HA       SER  15  -8.626  -0.744  -2.519
  100    HB2  SER  15           HB2      SER  15  -9.986  -3.369  -1.762
  101    HB3  SER  15           HB3      SER  15  -9.989  -1.868  -0.807
  102    HG   SER  15           HG       SER  15 -11.039  -0.875  -2.623
  103    H    LEU  16           H        LEU  16  -6.148  -1.540  -3.085
  104    HA   LEU  16           HA       LEU  16  -5.148  -3.655  -1.386
  105    HB2  LEU  16           HB2      LEU  16  -4.052  -2.715  -3.500
  106    HB3  LEU  16           HB3      LEU  16  -3.669  -1.261  -2.567
  107    HG   LEU  16           HG       LEU  16  -2.414  -2.750  -0.918
  108   HD11  LEU  16          HD11      LEU  16  -2.753  -4.770  -3.179
  109   HD12  LEU  16          HD12      LEU  16  -1.750  -4.987  -1.734
  110   HD13  LEU  16          HD13      LEU  16  -3.516  -4.906  -1.575
  111   HD21  LEU  16          HD21      LEU  16  -1.249  -1.436  -2.610
  112   HD22  LEU  16          HD22      LEU  16  -0.466  -3.021  -2.437
  113   HD23  LEU  16          HD23      LEU  16  -1.532  -2.728  -3.819
  114    H    LYS  17           H        LYS  17  -4.124  -3.444   0.663
  115    HA   LYS  17           HA       LYS  17  -4.141  -0.731   1.820
  116    HB2  LYS  17           HB2      LYS  17  -5.804  -1.596   3.076
  117    HB3  LYS  17           HB3      LYS  17  -5.280  -3.279   2.855
  118    HG2  LYS  17           HG2      LYS  17  -3.625  -3.042   4.603
  119    HG3  LYS  17           HG3      LYS  17  -3.940  -1.284   4.724
  120    HD2  LYS  17           HD2      LYS  17  -6.229  -1.714   5.447
  121    HD3  LYS  17           HD3      LYS  17  -6.027  -3.448   5.171
  122    HE2  LYS  17           HE2      LYS  17  -5.852  -2.952   7.550
  123    HE3  LYS  17           HE3      LYS  17  -4.304  -3.552   6.941
  124    HZ1  LYS  17           HZ1      LYS  17  -3.518  -1.281   6.890
  125    HZ2  LYS  17           HZ2      LYS  17  -4.980  -0.723   7.398
  126    HZ3  LYS  17           HZ3      LYS  17  -4.074  -1.663   8.390
  127    H    VAL  18           H        VAL  18  -2.503  -0.384   3.486
  128    HA   VAL  18           HA       VAL  18  -0.098  -2.156   3.351
  129    HB   VAL  18           HB       VAL  18  -0.356   0.823   2.962
  130   HG11  VAL  18          HG11      VAL  18   2.061   0.943   2.733
  131   HG12  VAL  18          HG12      VAL  18   1.620   0.340   4.331
  132   HG13  VAL  18          HG13      VAL  18   2.211  -0.800   3.097
  133   HG21  VAL  18          HG21      VAL  18   0.758  -1.228   1.017
  134   HG22  VAL  18          HG22      VAL  18  -0.838  -0.447   0.904
  135   HG23  VAL  18          HG23      VAL  18   0.641   0.524   0.762
  136    H    ASP  19           H        ASP  19   0.983  -2.260   5.316
  137    HA   ASP  19           HA       ASP  19   0.511  -0.319   7.459
  138    HB2  ASP  19           HB2      ASP  19  -1.485  -1.815   7.525
  139    HB3  ASP  19           HB3      ASP  19  -0.406  -3.202   7.737
  140    H    ASN  20           H        ASN  20   1.636  -1.020   9.464
  141    HA   ASN  20           HA       ASN  20   2.995  -2.328  10.753
  142    HB2  ASN  20           HB2      ASN  20   3.169  -4.059   8.768
  143    HB3  ASN  20           HB3      ASN  20   4.727  -3.263   8.491
  144   HD21  ASN  20          HD22      ASN  20   6.437  -3.925   9.768
  145   HD22  ASN  20          HD21      ASN  20   6.272  -4.945  11.192
  146    H    LEU  21           H        LEU  21   3.211   0.428   9.510
  147    HA   LEU  21           HA       LEU  21   5.871   1.164   9.070
  148    HB2  LEU  21           HB2      LEU  21   5.081   3.440   9.720
  149    HB3  LEU  21           HB3      LEU  21   4.162   2.644   8.446
  150    HG   LEU  21           HG       LEU  21   2.310   2.220   9.875
  151   HD11  LEU  21          HD11      LEU  21   2.254   3.024  12.249
  152   HD12  LEU  21          HD12      LEU  21   3.311   1.624  11.991
  153   HD13  LEU  21          HD13      LEU  21   4.007   3.266  12.171
  154   HD21  LEU  21          HD21      LEU  21   3.338   5.021  10.450
  155   HD22  LEU  21          HD22      LEU  21   2.499   4.510   8.968
  156   HD23  LEU  21          HD23      LEU  21   1.643   4.475  10.521
  157    H    THR  22           H        THR  22   7.010   2.888  10.484
  158    HA   THR  22           HA       THR  22   7.691   1.548  13.021
  159    HB   THR  22           HB       THR  22   9.604   3.004  13.047
  160   HG21  THR  22          HG21      THR  22  10.658   2.551  10.872
  161   HG22  THR  22          HG22      THR  22   9.775   1.131  11.470
  162   HG23  THR  22          HG23      THR  22   9.068   2.137  10.176
  163    H    TYR  23           H        TYR  23   8.169   2.973  14.931
  164    HA   TYR  23           HA       TYR  23   5.880   4.528  15.669
  165    HB2  TYR  23           HB2      TYR  23   7.064   4.831  17.763
  166    HB3  TYR  23           HB3      TYR  23   7.178   3.157  17.242
  167    HD1  TYR  23           HD2      TYR  23   9.337   2.294  16.266
  168    HD2  TYR  23           HD1      TYR  23   9.014   6.196  18.056
  169    HE1  TYR  23           HE2      TYR  23  11.816   2.414  16.450
  170    HE2  TYR  23           HE1      TYR  23  11.485   6.323  18.230
  171    HH   TYR  23           HH       TYR  23  13.471   5.264  17.851
  172    H    ARG  24           H        ARG  24   8.071   5.397  13.455
  173    HA   ARG  24           HA       ARG  24   8.093   8.275  14.264
  174    HB2  ARG  24           HB2      ARG  24  10.271   6.685  12.854
  175    HB3  ARG  24           HB3      ARG  24  10.305   8.432  13.140
  176    HG2  ARG  24           HG2      ARG  24  10.283   6.273  15.283
  177    HG3  ARG  24           HG3      ARG  24  11.693   7.215  14.768
  178    HD2  ARG  24           HD2      ARG  24   9.161   8.367  15.989
  179    HD3  ARG  24           HD3      ARG  24  10.685   8.085  16.852
  180    HE   ARG  24           HE       ARG  24  11.348   9.679  14.653
  181   HH11  ARG  24          HH11      ARG  24   9.236   9.927  17.468
  182   HH12  ARG  24          HH12      ARG  24   9.370  11.671  17.564
  183   HH21  ARG  24          HH21      ARG  24  11.509  11.949  14.794
  184   HH22  ARG  24          HH22      ARG  24  10.653  12.809  16.053
  185    H    THR  25           H        THR  25   7.121   5.937  11.968
  186    HA   THR  25           HA       THR  25   7.371   7.473   9.554
  187    HB   THR  25           HB       THR  25   5.425   5.270  10.348
  188   HG21  THR  25          HG21      THR  25   6.251   6.379   7.629
  189   HG22  THR  25          HG22      THR  25   5.455   4.805   7.860
  190   HG23  THR  25          HG23      THR  25   4.608   6.292   8.315
  191    H    SER  26           H        SER  26   5.502   8.304   8.308
  192    HA   SER  26           HA       SER  26   3.288   9.432   9.911
  193    HB2  SER  26           HB2      SER  26   5.257  11.061   8.239
  194    HB3  SER  26           HB3      SER  26   3.784  11.698   9.001
  195    HG   SER  26           HG       SER  26   5.658  12.045  10.260
  196    HA   PRO  27           HA       PRO  27   1.097   8.549   6.242
  197    HB2  PRO  27           HB2      PRO  27  -0.779  10.544   6.032
  198    HB3  PRO  27           HB3      PRO  27  -0.822   9.254   7.272
  199    HG2  PRO  27           HG2      PRO  27   0.229  12.087   7.553
  200    HG3  PRO  27           HG3      PRO  27  -0.835  11.179   8.668
  201    HD2  PRO  27           HD2      PRO  27   1.868  11.414   9.034
  202    HD3  PRO  27           HD3      PRO  27   0.989   9.929   9.498
  203    H    ASP  28           H        ASP  28   2.791  11.667   6.413
  204    HA   ASP  28           HA       ASP  28   2.330  12.241   3.593
  205    HB2  ASP  28           HB2      ASP  28   3.863  14.093   3.945
  206    HB3  ASP  28           HB3      ASP  28   2.642  14.049   5.219
  207    H    THR  29           H        THR  29   4.884  10.635   5.555
  208    HA   THR  29           HA       THR  29   6.767  10.517   3.373
  209    HB   THR  29           HB       THR  29   7.322   8.295   4.881
  210   HG21  THR  29          HG21      THR  29   8.064  11.191   5.462
  211   HG22  THR  29          HG22      THR  29   8.945   9.758   6.049
  212   HG23  THR  29          HG23      THR  29   8.869  10.096   4.306
  213    H    LEU  30           H        LEU  30   4.248   8.261   4.637
  214    HA   LEU  30           HA       LEU  30   4.849   6.249   2.693
  215    HB2  LEU  30           HB2      LEU  30   2.231   6.735   4.172
  216    HB3  LEU  30           HB3      LEU  30   2.726   5.255   3.326
  217    HG   LEU  30           HG       LEU  30   4.300   6.432   5.655
  218   HD11  LEU  30          HD11      LEU  30   2.160   4.259   5.576
  219   HD12  LEU  30          HD12      LEU  30   3.178   4.655   6.979
  220   HD13  LEU  30          HD13      LEU  30   2.014   5.854   6.359
  221   HD21  LEU  30          HD21      LEU  30   5.563   4.905   4.172
  222   HD22  LEU  30          HD22      LEU  30   5.240   4.138   5.737
  223   HD23  LEU  30          HD23      LEU  30   4.266   3.695   4.319
  224    H    ARG  31           H        ARG  31   2.998   9.238   2.518
  225    HA   ARG  31           HA       ARG  31   1.396   8.543   0.235
  226    HB2  ARG  31           HB2      ARG  31   0.914  10.495   1.658
  227    HB3  ARG  31           HB3      ARG  31   2.483  11.200   1.258
  228    HG2  ARG  31           HG2      ARG  31   0.649  12.265   0.017
  229    HG3  ARG  31           HG3      ARG  31   1.816  11.498  -1.067
  230    HD2  ARG  31           HD2      ARG  31   0.304   9.566  -1.361
  231    HD3  ARG  31           HD3      ARG  31  -0.821  10.253  -0.174
  232    HE   ARG  31           HE       ARG  31  -1.700  11.576  -1.832
  233   HH11  ARG  31          HH11      ARG  31   1.533  10.569  -2.831
  234   HH12  ARG  31          HH12      ARG  31   1.447  11.406  -4.363
  235   HH21  ARG  31          HH21      ARG  31  -1.812  12.594  -3.873
  236   HH22  ARG  31          HH22      ARG  31  -0.454  12.499  -4.974
  237    H    ARG  32           H        ARG  32   4.671   9.883   0.613
  238    HA   ARG  32           HA       ARG  32   5.009  10.193  -2.302
  239    HB2  ARG  32           HB2      ARG  32   5.961  11.810  -0.704
  240    HB3  ARG  32           HB3      ARG  32   6.898  10.521   0.070
  241    HG2  ARG  32           HG2      ARG  32   8.100  10.116  -2.073
  242    HG3  ARG  32           HG3      ARG  32   7.204  11.462  -2.818
  243    HD2  ARG  32           HD2      ARG  32   8.963  11.660  -0.346
  244    HD3  ARG  32           HD3      ARG  32   9.490  12.111  -1.986
  245    HE   ARG  32           HE       ARG  32   7.144  13.558  -1.519
  246   HH11  ARG  32          HH11      ARG  32  10.347  13.331  -0.025
  247   HH12  ARG  32          HH12      ARG  32  10.335  14.994   0.515
  248   HH21  ARG  32          HH21      ARG  32   7.160  15.713  -0.803
  249   HH22  ARG  32          HH22      ARG  32   8.527  16.333   0.093
  250    H    VAL  33           H        VAL  33   6.203   8.058   0.309
  251    HA   VAL  33           HA       VAL  33   8.030   6.508  -1.180
  252    HB   VAL  33           HB       VAL  33   6.207   5.915   1.169
  253   HG11  VAL  33          HG11      VAL  33   8.416   4.158   0.058
  254   HG12  VAL  33          HG12      VAL  33   7.591   3.931   1.625
  255   HG13  VAL  33          HG13      VAL  33   6.668   3.785   0.123
  256   HG21  VAL  33          HG21      VAL  33   8.078   7.600   1.420
  257   HG22  VAL  33          HG22      VAL  33   8.245   6.175   2.474
  258   HG23  VAL  33          HG23      VAL  33   9.228   6.318   0.995
  259    H    PHE  34           H        PHE  34   4.458   6.317  -0.984
  260    HA   PHE  34           HA       PHE  34   4.545   3.830  -2.604
  261    HB2  PHE  34           HB2      PHE  34   2.506   5.166  -0.850
  262    HB3  PHE  34           HB3      PHE  34   2.007   3.985  -2.060
  263    HD1  PHE  34           HD2      PHE  34   4.116   4.416   0.986
  264    HD2  PHE  34           HD1      PHE  34   2.372   1.661  -1.816
  265    HE1  PHE  34           HE2      PHE  34   4.761   2.517   2.448
  266    HE2  PHE  34           HE1      PHE  34   3.010  -0.238  -0.348
  267    HZ   PHE  34           HZ       PHE  34   4.227   0.195   1.773
  268    H    GLU  35           H        GLU  35   4.135   7.184  -2.985
  269    HA   GLU  35           HA       GLU  35   2.224   7.301  -5.084
  270    HB2  GLU  35           HB2      GLU  35   3.020   9.320  -4.003
  271    HB3  GLU  35           HB3      GLU  35   4.686   9.011  -4.537
  272    HG2  GLU  35           HG2      GLU  35   4.043   9.358  -6.856
  273    HG3  GLU  35           HG3      GLU  35   2.331   9.484  -6.396
  274    H    LYS  36           H        LYS  36   5.586   6.210  -5.118
  275    HA   LYS  36           HA       LYS  36   5.953   6.547  -7.958
  276    HB2  LYS  36           HB2      LYS  36   8.063   5.492  -7.594
  277    HB3  LYS  36           HB3      LYS  36   7.701   6.511  -6.179
  278    HG2  LYS  36           HG2      LYS  36   6.956   4.502  -4.921
  279    HG3  LYS  36           HG3      LYS  36   7.330   3.485  -6.325
  280    HD2  LYS  36           HD2      LYS  36   9.142   3.370  -4.725
  281    HD3  LYS  36           HD3      LYS  36   9.701   4.195  -6.193
  282    HE2  LYS  36           HE2      LYS  36   9.373   6.388  -5.088
  283    HE3  LYS  36           HE3      LYS  36   8.801   5.574  -3.625
  284    HZ1  LYS  36           HZ1      LYS  36  11.117   6.154  -3.461
  285    HZ2  LYS  36           HZ2      LYS  36  10.954   4.521  -3.453
  286    HZ3  LYS  36           HZ3      LYS  36  11.484   5.291  -4.808
  287    H    TYR  37           H        TYR  37   4.462   4.094  -6.016
  288    HA   TYR  37           HA       TYR  37   4.758   1.983  -8.031
  289    HB2  TYR  37           HB2      TYR  37   3.076   2.153  -5.507
  290    HB3  TYR  37           HB3      TYR  37   3.253   0.719  -6.520
  291    HD1  TYR  37           HD1      TYR  37   5.131   3.105  -4.371
  292    HD2  TYR  37           HD2      TYR  37   5.093  -0.723  -6.310
  293    HE1  TYR  37           HE1      TYR  37   7.199   2.490  -3.155
  294    HE2  TYR  37           HE2      TYR  37   7.163  -1.362  -5.106
  295    HH   TYR  37           HH       TYR  37   8.835   0.877  -2.863
  296    H    GLY  38           H        GLY  38   2.602   4.660  -7.471
  297    HA2  GLY  38           HA2      GLY  38   1.167   4.812  -9.655
  298    HA3  GLY  38           HA3      GLY  38   0.422   3.351  -8.971
  299    H    ARG  39           H        ARG  39  -1.487   4.529  -8.973
  300    HA   ARG  39           HA       ARG  39  -1.999   6.933  -7.576
  301    HB2  ARG  39           HB2      ARG  39  -4.322   6.449  -7.972
  302    HB3  ARG  39           HB3      ARG  39  -3.366   6.003  -9.380
  303    HG2  ARG  39           HG2      ARG  39  -3.400   3.580  -8.346
  304    HG3  ARG  39           HG3      ARG  39  -4.775   4.210  -7.409
  305    HD2  ARG  39           HD2      ARG  39  -5.717   3.241  -9.345
  306    HD3  ARG  39           HD3      ARG  39  -5.769   4.996  -9.616
  307    HE   ARG  39           HE       ARG  39  -3.378   3.623 -10.640
  308   HH11  ARG  39          HH11      ARG  39  -6.646   4.750 -11.390
  309   HH12  ARG  39          HH12      ARG  39  -6.377   4.743 -13.116
  310   HH21  ARG  39          HH21      ARG  39  -3.054   3.619 -12.877
  311   HH22  ARG  39          HH22      ARG  39  -4.340   4.103 -13.959
  312    H    VAL  40           H        VAL  40  -0.942   6.771  -5.580
  313    HA   VAL  40           HA       VAL  40  -1.933   5.101  -3.443
  314    HB   VAL  40           HB       VAL  40   0.253   5.991  -3.365
  315   HG11  VAL  40          HG11      VAL  40  -0.948   8.787  -3.430
  316   HG12  VAL  40          HG12      VAL  40   0.777   8.380  -3.230
  317   HG13  VAL  40          HG13      VAL  40  -0.047   7.997  -4.746
  318   HG21  VAL  40          HG21      VAL  40   0.333   6.922  -1.146
  319   HG22  VAL  40          HG22      VAL  40  -1.324   7.530  -1.260
  320   HG23  VAL  40          HG23      VAL  40  -1.026   5.782  -1.217
  321    H    GLY  41           H        GLY  41  -4.145   5.507  -4.400
  322    HA2  GLY  41           HA2      GLY  41  -5.522   7.960  -4.275
  323    HA3  GLY  41           HA3      GLY  41  -6.260   6.349  -4.311
  324    H    ASP  42           H        ASP  42  -4.608   5.877  -1.633
  325    HA   ASP  42           HA       ASP  42  -5.894   7.794   0.156
  326    HB2  ASP  42           HB2      ASP  42  -7.400   5.623  -0.348
  327    HB3  ASP  42           HB3      ASP  42  -6.330   4.936   0.901
  328    H    VAL  43           H        VAL  43  -5.130   7.364   2.456
  329    HA   VAL  43           HA       VAL  43  -2.505   6.085   2.694
  330    HB   VAL  43           HB       VAL  43  -2.203   8.100   1.264
  331   HG11  VAL  43          HG11      VAL  43  -3.870   9.577   2.321
  332   HG12  VAL  43          HG12      VAL  43  -2.860   9.664   3.782
  333   HG13  VAL  43          HG13      VAL  43  -2.271  10.322   2.239
  334   HG21  VAL  43          HG21      VAL  43  -0.185   8.872   2.413
  335   HG22  VAL  43          HG22      VAL  43  -0.722   8.097   3.918
  336   HG23  VAL  43          HG23      VAL  43  -0.356   7.115   2.481
  337    H    TYR  44           H        TYR  44  -5.100   5.938   4.061
  338    HA   TYR  44           HA       TYR  44  -5.273   7.841   6.147
  339    HB2  TYR  44           HB2      TYR  44  -7.085   6.418   5.029
  340    HB3  TYR  44           HB3      TYR  44  -6.683   5.210   6.257
  341    HD1  TYR  44           HD2      TYR  44  -6.832   8.981   6.282
  342    HD2  TYR  44           HD1      TYR  44  -8.348   5.302   7.916
  343    HE1  TYR  44           HE2      TYR  44  -8.118  10.270   7.956
  344    HE2  TYR  44           HE1      TYR  44  -9.679   6.592   9.572
  345    HH   TYR  44           HH       TYR  44 -10.148   8.716  10.419
  346    H    ILE  45           H        ILE  45  -5.311   7.586   8.312
  347    HA   ILE  45           HA       ILE  45  -3.947   5.337   9.656
  348    HB   ILE  45           HB       ILE  45  -3.114   8.239  10.005
  349   HG12  ILE  45          HG12      ILE  45  -1.602   5.708   9.213
  350   HG13  ILE  45          HG13      ILE  45  -2.026   7.054   8.130
  351   HG21  ILE  45          HG21      ILE  45  -1.712   7.415  11.853
  352   HG22  ILE  45          HG22      ILE  45  -3.401   7.061  12.205
  353   HG23  ILE  45          HG23      ILE  45  -2.351   5.764  11.624
  354   HD11  ILE  45          HD11      ILE  45   0.286   7.288   8.775
  355   HD12  ILE  45          HD12      ILE  45  -0.655   8.577   9.579
  356   HD13  ILE  45          HD13      ILE  45  -0.113   7.150  10.493
  357    HA   PRO  46           HA       PRO  46  -8.010   6.450  11.346
  358    HB2  PRO  46           HB2      PRO  46  -7.723   3.700  12.478
  359    HB3  PRO  46           HB3      PRO  46  -9.086   4.433  11.578
  360    HG2  PRO  46           HG2      PRO  46  -7.378   2.619  10.395
  361    HG3  PRO  46           HG3      PRO  46  -8.006   4.033   9.494
  362    HD2  PRO  46           HD2      PRO  46  -5.321   3.724  10.825
  363    HD3  PRO  46           HD3      PRO  46  -5.731   4.403   9.221
  364    H    ARG  47           H        ARG  47  -5.278   6.875  12.856
  365    HA   ARG  47           HA       ARG  47  -5.481   5.914  15.449
  366    HB2  ARG  47           HB2      ARG  47  -4.119   7.796  16.158
  367    HB3  ARG  47           HB3      ARG  47  -3.549   7.117  14.624
  368    HG2  ARG  47           HG2      ARG  47  -4.751   8.960  13.412
  369    HG3  ARG  47           HG3      ARG  47  -5.196   9.652  14.993
  370    HD2  ARG  47           HD2      ARG  47  -2.820   9.861  15.581
  371    HD3  ARG  47           HD3      ARG  47  -2.344   9.100  14.059
  372    HE   ARG  47           HE       ARG  47  -3.843  11.206  13.183
  373   HH11  ARG  47          HH11      ARG  47  -1.166  11.003  15.495
  374   HH12  ARG  47          HH12      ARG  47  -0.577  12.608  15.124
  375   HH21  ARG  47          HH21      ARG  47  -3.057  13.293  12.741
  376   HH22  ARG  47          HH22      ARG  47  -1.659  13.908  13.591
  377    H    ASP  48           H        ASP  48  -6.401   6.748  17.401
  378    HA   ASP  48           HA       ASP  48  -9.100   6.953  17.311
  379    HB2  ASP  48           HB2      ASP  48  -7.367   8.272  19.414
  380    HB3  ASP  48           HB3      ASP  48  -9.049   7.734  19.608
  381    H    ARG  49           H        ARG  49 -10.580   8.339  16.645
  382    HA   ARG  49           HA       ARG  49  -9.795  10.889  15.626
  383    HB2  ARG  49           HB2      ARG  49 -12.006  11.061  14.812
  384    HB3  ARG  49           HB3      ARG  49 -11.537   9.370  14.650
  385    HG2  ARG  49           HG2      ARG  49 -12.799   8.832  16.744
  386    HG3  ARG  49           HG3      ARG  49 -13.276  10.537  16.877
  387    HD2  ARG  49           HD2      ARG  49 -13.948   8.636  14.603
  388    HD3  ARG  49           HD3      ARG  49 -15.073   9.228  15.828
  389    HE   ARG  49           HE       ARG  49 -13.997  10.725  13.523
  390   HH11  ARG  49          HH11      ARG  49 -15.881  10.840  16.518
  391   HH12  ARG  49          HH12      ARG  49 -16.612  12.380  16.120
  392   HH21  ARG  49          HH21      ARG  49 -14.929  12.699  13.063
  393   HH22  ARG  49          HH22      ARG  49 -16.096  13.430  14.152
  394    H    TYR  50           H        TYR  50  -9.817  10.269  18.721
  395    HA   TYR  50           HA       TYR  50 -10.911  12.952  19.430
  396    HB2  TYR  50           HB2      TYR  50 -11.177  10.637  21.335
  397    HB3  TYR  50           HB3      TYR  50 -12.019  12.171  21.345
  398    HD1  TYR  50           HD1      TYR  50 -13.923  12.523  19.674
  399    HD2  TYR  50           HD2      TYR  50 -11.978   8.736  20.251
  400    HE1  TYR  50           HE1      TYR  50 -15.886  11.374  18.682
  401    HE2  TYR  50           HE2      TYR  50 -13.928   7.572  19.268
  402    HH   TYR  50           HH       TYR  50 -16.836   9.327  18.108
  403    H    THR  51           H        THR  51  -8.416  10.515  19.757
  404    HA   THR  51           HA       THR  51  -7.002  12.236  21.714
  405    HB   THR  51           HB       THR  51  -6.429  10.292  23.082
  406   HG21  THR  51          HG21      THR  51  -9.446  10.336  22.662
  407   HG22  THR  51          HG22      THR  51  -8.580   9.872  24.135
  408   HG23  THR  51          HG23      THR  51  -8.543  11.561  23.612
  409    H    LYS  52           H        LYS  52  -6.939  10.575  18.819
  410    HA   LYS  52           HA       LYS  52  -5.340   9.704  17.484
  411    HB2  LYS  52           HB2      LYS  52  -4.027  12.258  18.484
  412    HB3  LYS  52           HB3      LYS  52  -3.612  11.421  16.980
  413    HG2  LYS  52           HG2      LYS  52  -5.920  11.714  16.156
  414    HG3  LYS  52           HG3      LYS  52  -6.361  12.557  17.660
  415    HD2  LYS  52           HD2      LYS  52  -4.684  14.306  17.181
  416    HD3  LYS  52           HD3      LYS  52  -4.241  13.477  15.673
  417    HE2  LYS  52           HE2      LYS  52  -6.554  13.735  14.843
  418    HE3  LYS  52           HE3      LYS  52  -7.014  14.537  16.355
  419    HZ1  LYS  52           HZ1      LYS  52  -6.525  16.119  14.623
  420    HZ2  LYS  52           HZ2      LYS  52  -5.428  16.266  15.841
  421    HZ3  LYS  52           HZ3      LYS  52  -5.012  15.532  14.429
  422    H    GLU  53           H        GLU  53  -5.038   7.990  19.458
  423    HA   GLU  53           HA       GLU  53  -2.150   8.045  20.166
  424    HB2  GLU  53           HB2      GLU  53  -2.681   6.985  22.268
  425    HB3  GLU  53           HB3      GLU  53  -3.591   8.495  22.095
  426    HG2  GLU  53           HG2      GLU  53  -5.596   7.213  21.414
  427    HG3  GLU  53           HG3      GLU  53  -4.698   5.696  21.592
  428    H    SER  54           H        SER  54  -3.687   6.720  17.849
  429    HA   SER  54           HA       SER  54  -2.499   4.021  18.278
  430    HB2  SER  54           HB2      SER  54  -5.158   4.615  16.927
  431    HB3  SER  54           HB3      SER  54  -4.340   3.038  16.963
  432    HG   SER  54           HG       SER  54  -5.446   4.508  19.097
  433    H    ARG  55           H        ARG  55  -1.361   6.408  17.073
  434    HA   ARG  55           HA       ARG  55  -1.287   6.306  14.241
  435    HB2  ARG  55           HB2      ARG  55  -0.474   8.166  15.631
  436    HB3  ARG  55           HB3      ARG  55   0.764   7.125  16.338
  437    HG2  ARG  55           HG2      ARG  55   1.923   6.962  14.191
  438    HG3  ARG  55           HG3      ARG  55   0.627   7.882  13.382
  439    HD2  ARG  55           HD2      ARG  55   1.141   9.842  14.752
  440    HD3  ARG  55           HD3      ARG  55   2.289   8.900  15.724
  441    HE   ARG  55           HE       ARG  55   3.030   8.815  12.953
  442   HH11  ARG  55          HH11      ARG  55   3.039  10.945  15.783
  443   HH12  ARG  55          HH12      ARG  55   4.467  11.808  15.271
  444   HH21  ARG  55          HH21      ARG  55   4.881   9.980  12.301
  445   HH22  ARG  55          HH22      ARG  55   5.501  11.275  13.295
  446    H    GLY  56           H        GLY  56  -0.465   3.870  16.342
  447    HA2  GLY  56           HA2      GLY  56   2.052   2.933  15.447
  448    HA3  GLY  56           HA3      GLY  56   0.826   2.003  16.311
  449    H    PHE  57           H        PHE  57  -0.622   3.117  13.428
  450    HA   PHE  57           HA       PHE  57   0.462   1.017  11.692
  451    HB2  PHE  57           HB2      PHE  57  -1.409  -0.358  11.621
  452    HB3  PHE  57           HB3      PHE  57  -1.207  -0.047  13.334
  453    HD1  PHE  57           HD1      PHE  57  -2.734   1.691  14.429
  454    HD2  PHE  57           HD2      PHE  57  -3.322   0.238  10.427
  455    HE1  PHE  57           HE1      PHE  57  -5.104   2.400  14.522
  456    HE2  PHE  57           HE2      PHE  57  -5.673   0.992  10.491
  457    HZ   PHE  57           HZ       PHE  57  -6.598   2.003  12.562
  458    H    ALA  58           H        ALA  58  -0.925   0.945   9.628
  459    HA   ALA  58           HA       ALA  58  -2.041   3.605   8.935
  460    HB1  ALA  58           HB1      ALA  58  -0.552   3.790   6.973
  461    HB2  ALA  58           HB2      ALA  58   0.380   3.762   8.471
  462    HB3  ALA  58           HB3      ALA  58   0.286   2.301   7.460
  463    H    PHE  59           H        PHE  59  -2.684   3.563   6.528
  464    HA   PHE  59           HA       PHE  59  -3.731   1.007   5.517
  465    HB2  PHE  59           HB2      PHE  59  -5.276   2.010   7.330
  466    HB3  PHE  59           HB3      PHE  59  -5.617   3.290   6.179
  467    HD1  PHE  59           HD2      PHE  59  -5.514   1.264   3.681
  468    HD2  PHE  59           HD1      PHE  59  -7.524   1.276   7.486
  469    HE1  PHE  59           HE2      PHE  59  -7.283  -0.185   2.750
  470    HE2  PHE  59           HE1      PHE  59  -9.292  -0.177   6.550
  471    HZ   PHE  59           HZ       PHE  59  -9.178  -0.916   4.181
  472    H    VAL  60           H        VAL  60  -1.784   2.190   4.223
  473    HA   VAL  60           HA       VAL  60  -2.792   4.259   2.410
  474    HB   VAL  60           HB       VAL  60  -0.394   2.437   1.924
  475   HG11  VAL  60          HG11      VAL  60  -1.039   5.262   1.036
  476   HG12  VAL  60          HG12      VAL  60   0.432   4.343   0.654
  477   HG13  VAL  60          HG13      VAL  60  -1.132   3.790   0.031
  478   HG21  VAL  60          HG21      VAL  60   0.977   4.171   3.003
  479   HG22  VAL  60          HG22      VAL  60  -0.496   5.045   3.502
  480   HG23  VAL  60          HG23      VAL  60  -0.135   3.434   4.172
  481    H    ARG  61           H        ARG  61  -3.490   3.910   0.197
  482    HA   ARG  61           HA       ARG  61  -3.998   1.092  -0.486
  483    HB2  ARG  61           HB2      ARG  61  -5.942   1.459   0.802
  484    HB3  ARG  61           HB3      ARG  61  -6.091   3.141   0.281
  485    HG2  ARG  61           HG2      ARG  61  -6.887   2.512  -1.906
  486    HG3  ARG  61           HG3      ARG  61  -6.595   0.791  -1.580
  487    HD2  ARG  61           HD2      ARG  61  -8.977   1.409  -1.339
  488    HD3  ARG  61           HD3      ARG  61  -8.264   0.760   0.143
  489    HE   ARG  61           HE       ARG  61  -8.473   3.721  -0.254
  490   HH11  ARG  61          HH11      ARG  61  -9.393   0.781   1.473
  491   HH12  ARG  61          HH12      ARG  61 -10.066   1.655   2.832
  492   HH21  ARG  61          HH21      ARG  61  -9.397   4.839   1.554
  493   HH22  ARG  61          HH22      ARG  61 -10.072   3.909   2.868
  494    H    PHE  62           H        PHE  62  -4.836   0.664  -2.475
  495    HA   PHE  62           HA       PHE  62  -4.469   2.804  -4.536
  496    HB2  PHE  62           HB2      PHE  62  -3.617  -0.109  -4.689
  497    HB3  PHE  62           HB3      PHE  62  -3.587   1.028  -6.036
  498    HD1  PHE  62           HD2      PHE  62  -2.275   0.587  -2.544
  499    HD2  PHE  62           HD1      PHE  62  -1.648   2.296  -6.443
  500    HE1  PHE  62           HE2      PHE  62  -0.032   1.335  -1.846
  501    HE2  PHE  62           HE1      PHE  62   0.622   3.012  -5.759
  502    HZ   PHE  62           HZ       PHE  62   1.445   2.524  -3.473
  503    H    HIS  63           H        HIS  63  -5.636   2.385  -6.564
  504    HA   HIS  63           HA       HIS  63  -8.147   0.857  -6.103
  505    HB2  HIS  63           HB2      HIS  63  -7.835   3.640  -7.272
  506    HB3  HIS  63           HB3      HIS  63  -9.351   2.727  -7.157
  507    HD2  HIS  63           HD2      HIS  63  -6.731   4.461  -4.890
  508    HE1  HIS  63           HE1      HIS  63 -10.270   3.963  -2.580
  509    HE2  HIS  63           HE2      HIS  63  -7.936   4.991  -2.622
  510    H    ASP  64           H        ASP  64  -5.489   0.618  -7.866
  511    HA   ASP  64           HA       ASP  64  -7.062  -0.523 -10.096
  512    HB2  ASP  64           HB2      ASP  64  -6.166   1.668 -10.878
  513    HB3  ASP  64           HB3      ASP  64  -4.526   1.126 -10.481
  514    H    LYS  65           H        LYS  65  -6.332  -2.485 -10.776
  515    HA   LYS  65           HA       LYS  65  -4.937  -3.972  -8.801
  516    HB2  LYS  65           HB2      LYS  65  -5.254  -5.858 -10.296
  517    HB3  LYS  65           HB3      LYS  65  -6.716  -4.865 -10.229
  518    HG2  LYS  65           HG2      LYS  65  -6.067  -3.788 -12.396
  519    HG3  LYS  65           HG3      LYS  65  -4.601  -4.792 -12.433
  520    HD2  LYS  65           HD2      LYS  65  -6.331  -5.753 -13.871
  521    HD3  LYS  65           HD3      LYS  65  -5.985  -6.830 -12.508
  522    HE2  LYS  65           HE2      LYS  65  -7.974  -5.977 -11.321
  523    HE3  LYS  65           HE3      LYS  65  -8.303  -4.854 -12.654
  524    HZ1  LYS  65           HZ1      LYS  65  -8.595  -6.750 -14.096
  525    HZ2  LYS  65           HZ2      LYS  65  -8.292  -7.794 -12.865
  526    HZ3  LYS  65           HZ3      LYS  65  -9.629  -6.839 -12.823
  527    H    ARG  66           H        ARG  66  -3.731  -2.376 -11.737
  528    HA   ARG  66           HA       ARG  66  -1.415  -4.116 -11.887
  529    HB2  ARG  66           HB2      ARG  66  -0.816  -2.899 -13.765
  530    HB3  ARG  66           HB3      ARG  66  -2.570  -2.724 -13.746
  531    HG2  ARG  66           HG2      ARG  66  -2.117  -0.483 -12.462
  532    HG3  ARG  66           HG3      ARG  66  -0.434  -0.701 -12.991
  533    HD2  ARG  66           HD2      ARG  66  -1.394   0.653 -14.658
  534    HD3  ARG  66           HD3      ARG  66  -1.431  -0.971 -15.367
  535    HE   ARG  66           HE       ARG  66  -3.843  -0.439 -13.892
  536   HH11  ARG  66          HH11      ARG  66  -2.256   0.316 -16.967
  537   HH12  ARG  66          HH12      ARG  66  -3.757   0.707 -17.771
  538   HH21  ARG  66          HH21      ARG  66  -5.756   0.165 -14.926
  539   HH22  ARG  66          HH22      ARG  66  -5.750   0.590 -16.624
  540    H    ASP  67           H        ASP  67  -2.084  -0.879 -10.543
  541    HA   ASP  67           HA       ASP  67   0.640  -0.414  -9.681
  542    HB2  ASP  67           HB2      ASP  67  -2.016   0.784  -8.782
  543    HB3  ASP  67           HB3      ASP  67  -0.416   1.403  -8.360
  544    H    ALA  68           H        ALA  68  -2.230  -2.040  -8.397
  545    HA   ALA  68           HA       ALA  68  -1.275  -2.050  -5.663
  546    HB1  ALA  68           HB1      ALA  68  -3.496  -3.590  -7.073
  547    HB2  ALA  68           HB2      ALA  68  -3.256  -3.527  -5.314
  548    HB3  ALA  68           HB3      ALA  68  -3.676  -2.042  -6.204
  549    H    GLU  69           H        GLU  69  -1.272  -4.423  -8.398
  550    HA   GLU  69           HA       GLU  69  -0.362  -6.573  -6.713
  551    HB2  GLU  69           HB2      GLU  69  -0.310  -6.150  -9.725
  552    HB3  GLU  69           HB3      GLU  69   0.332  -7.597  -8.936
  553    HG2  GLU  69           HG2      GLU  69  -1.853  -8.031  -7.872
  554    HG3  GLU  69           HG3      GLU  69  -2.544  -6.617  -8.682
  555    H    ASP  70           H        ASP  70   1.314  -3.992  -8.569
  556    HA   ASP  70           HA       ASP  70   3.939  -5.166  -8.120
  557    HB2  ASP  70           HB2      ASP  70   2.969  -2.369  -8.820
  558    HB3  ASP  70           HB3      ASP  70   4.673  -2.786  -8.610
  559    H    ALA  71           H        ALA  71   1.863  -2.807  -6.406
  560    HA   ALA  71           HA       ALA  71   3.814  -1.828  -4.623
  561    HB1  ALA  71           HB1      ALA  71   1.861  -1.166  -3.242
  562    HB2  ALA  71           HB2      ALA  71   1.652  -0.743  -4.952
  563    HB3  ALA  71           HB3      ALA  71   0.812  -2.168  -4.278
  564    H    MET  72           H        MET  72   1.840  -4.836  -4.458
  565    HA   MET  72           HA       MET  72   2.905  -5.304  -1.743
  566    HB2  MET  72           HB2      MET  72   1.497  -7.263  -1.699
  567    HB3  MET  72           HB3      MET  72   0.547  -5.902  -2.359
  568    HG2  MET  72           HG2      MET  72   1.169  -6.680  -4.639
  569    HG3  MET  72           HG3      MET  72   1.915  -8.118  -3.926
  570    HE1  MET  72           HE1      MET  72  -1.138  -9.704  -5.642
  571    HE2  MET  72           HE2      MET  72  -0.010  -8.451  -6.210
  572    HE3  MET  72           HE3      MET  72   0.600  -9.837  -5.290
  573    H    ASP  73           H        ASP  73   3.519  -6.286  -5.090
  574    HA   ASP  73           HA       ASP  73   5.162  -8.548  -4.435
  575    HB2  ASP  73           HB2      ASP  73   4.071  -8.188  -6.625
  576    HB3  ASP  73           HB3      ASP  73   5.111  -6.783  -6.910
  577    H    ALA  74           H        ALA  74   5.655  -5.230  -3.929
  578    HA   ALA  74           HA       ALA  74   8.604  -5.664  -3.775
  579    HB1  ALA  74           HB1      ALA  74   7.058  -3.306  -4.856
  580    HB2  ALA  74           HB2      ALA  74   8.825  -3.302  -4.599
  581    HB3  ALA  74           HB3      ALA  74   8.098  -4.411  -5.789
  582    H    MET  75           H        MET  75   5.760  -4.700  -2.100
  583    HA   MET  75           HA       MET  75   7.515  -3.492   0.014
  584    HB2  MET  75           HB2      MET  75   4.604  -2.899  -0.523
  585    HB3  MET  75           HB3      MET  75   5.555  -2.240   0.805
  586    HG2  MET  75           HG2      MET  75   6.216  -1.761  -2.124
  587    HG3  MET  75           HG3      MET  75   5.232  -0.683  -1.137
  588    HE1  MET  75           HE1      MET  75   7.768   1.856  -0.582
  589    HE2  MET  75           HE2      MET  75   6.365   1.314  -1.535
  590    HE3  MET  75           HE3      MET  75   6.260   1.372   0.228
  591    H    ASP  76           H        ASP  76   5.185  -6.067  -0.690
  592    HA   ASP  76           HA       ASP  76   4.462  -6.355   2.080
  593    HB2  ASP  76           HB2      ASP  76   3.042  -7.139   0.145
  594    HB3  ASP  76           HB3      ASP  76   4.239  -8.410  -0.161
  595    H    GLY  77           H        GLY  77   6.904  -6.123   2.562
  596    HA2  GLY  77           HA2      GLY  77   8.004  -8.114   3.952
  597    HA3  GLY  77           HA3      GLY  77   8.463  -8.612   2.308
  598    H    ALA  78           H        ALA  78   8.333  -5.339   2.075
  599    HA   ALA  78           HA       ALA  78  11.177  -4.984   2.034
  600    HB1  ALA  78           HB1      ALA  78   9.626  -3.799   0.552
  601    HB2  ALA  78           HB2      ALA  78   8.883  -2.984   1.950
  602    HB3  ALA  78           HB3      ALA  78  10.570  -2.645   1.498
  603    H    VAL  79           H        VAL  79  11.878  -2.706   3.075
  604    HA   VAL  79           HA       VAL  79  11.271  -2.783   5.989
  605    HB   VAL  79           HB       VAL  79  14.013  -2.698   4.645
  606   HG11  VAL  79          HG11      VAL  79  14.951  -2.643   6.909
  607   HG12  VAL  79          HG12      VAL  79  14.007  -1.184   6.561
  608   HG13  VAL  79          HG13      VAL  79  13.323  -2.464   7.596
  609   HG21  VAL  79          HG21      VAL  79  13.090  -4.963   4.781
  610   HG22  VAL  79          HG22      VAL  79  14.404  -4.776   5.956
  611   HG23  VAL  79          HG23      VAL  79  12.710  -4.736   6.502
  612    H    LEU  80           H        LEU  80  11.052  -0.788   6.902
  613    HA   LEU  80           HA       LEU  80  11.137   1.527   5.070
  614    HB2  LEU  80           HB2      LEU  80   9.156   0.909   6.456
  615    HB3  LEU  80           HB3      LEU  80  10.073   1.288   7.922
  616    HG   LEU  80           HG       LEU  80   9.719   3.297   5.681
  617   HD11  LEU  80          HD11      LEU  80   7.481   2.489   6.328
  618   HD12  LEU  80          HD12      LEU  80   7.859   2.778   8.043
  619   HD13  LEU  80          HD13      LEU  80   7.744   4.148   6.914
  620   HD21  LEU  80          HD21      LEU  80  10.184   3.592   8.686
  621   HD22  LEU  80          HD22      LEU  80  11.357   3.956   7.392
  622   HD23  LEU  80          HD23      LEU  80   9.884   4.932   7.566
  623    H    ASP  81           H        ASP  81  12.274   0.655   8.357
  624    HA   ASP  81           HA       ASP  81  14.753   2.193   7.876
  625    HB2  ASP  81           HB2      ASP  81  13.095   3.757   8.893
  626    HB3  ASP  81           HB3      ASP  81  12.962   2.680  10.287
  627    H    GLY  82           H        GLY  82  13.284  -0.634   8.982
  628    HA2  GLY  82           HA2      GLY  82  15.509  -2.006   9.642
  629    HA3  GLY  82           HA3      GLY  82  15.154  -1.166  11.170
  630    H    ARG  83           H        ARG  83  12.130  -1.571   9.951
  631    HA   ARG  83           HA       ARG  83  11.838  -4.354  11.007
  632    HB2  ARG  83           HB2      ARG  83   9.632  -3.739  11.764
  633    HB3  ARG  83           HB3      ARG  83  10.830  -2.640  12.465
  634    HG2  ARG  83           HG2      ARG  83  10.287  -0.928  10.781
  635    HG3  ARG  83           HG3      ARG  83   9.123  -2.023  10.011
  636    HD2  ARG  83           HD2      ARG  83   8.003  -0.403  11.494
  637    HD3  ARG  83           HD3      ARG  83   7.745  -2.079  11.997
  638    HE   ARG  83           HE       ARG  83  10.028  -0.941  13.348
  639   HH11  ARG  83          HH11      ARG  83   6.493  -0.889  13.345
  640   HH12  ARG  83          HH12      ARG  83   6.382  -0.602  15.067
  641   HH21  ARG  83          HH21      ARG  83   9.853  -0.559  15.584
  642   HH22  ARG  83          HH22      ARG  83   8.275  -0.400  16.324
  643    H    GLU  84           H        GLU  84   9.184  -4.658  10.145
  644    HA   GLU  84           HA       GLU  84   9.773  -5.169   7.259
  645    HB2  GLU  84           HB2      GLU  84   8.031  -6.535   9.343
  646    HB3  GLU  84           HB3      GLU  84   7.869  -6.853   7.607
  647    HG2  GLU  84           HG2      GLU  84  10.308  -7.467   7.548
  648    HG3  GLU  84           HG3      GLU  84  10.376  -7.226   9.302
  649    H    LEU  85           H        LEU  85   7.820  -5.194   5.851
  650    HA   LEU  85           HA       LEU  85   5.664  -3.345   6.761
  651    HB2  LEU  85           HB2      LEU  85   7.081  -3.378   4.070
  652    HB3  LEU  85           HB3      LEU  85   5.623  -2.445   4.442
  653    HG   LEU  85           HG       LEU  85   8.342  -2.124   5.788
  654   HD11  LEU  85          HD11      LEU  85   8.225  -1.304   3.460
  655   HD12  LEU  85          HD12      LEU  85   6.792  -0.335   3.874
  656   HD13  LEU  85          HD13      LEU  85   8.363   0.039   4.614
  657   HD21  LEU  85          HD21      LEU  85   7.301  -0.098   6.817
  658   HD22  LEU  85          HD22      LEU  85   5.724  -0.595   6.160
  659   HD23  LEU  85          HD23      LEU  85   6.553  -1.586   7.386
  660    H    ARG  86           H        ARG  86   3.638  -3.653   5.612
  661    HA   ARG  86           HA       ARG  86   3.304  -6.376   4.446
  662    HB2  ARG  86           HB2      ARG  86   1.721  -5.109   6.729
  663    HB3  ARG  86           HB3      ARG  86   1.205  -6.551   5.849
  664    HG2  ARG  86           HG2      ARG  86   3.803  -6.296   7.429
  665    HG3  ARG  86           HG3      ARG  86   2.324  -7.106   7.982
  666    HD2  ARG  86           HD2      ARG  86   2.441  -8.610   5.998
  667    HD3  ARG  86           HD3      ARG  86   3.983  -7.861   5.544
  668    HE   ARG  86           HE       ARG  86   3.459  -9.505   7.965
  669   HH11  ARG  86          HH11      ARG  86   5.794  -7.875   5.837
  670   HH12  ARG  86          HH12      ARG  86   7.160  -8.729   6.531
  671   HH21  ARG  86          HH21      ARG  86   5.307 -10.568   8.827
  672   HH22  ARG  86          HH22      ARG  86   6.897 -10.174   8.197
  673    H    VAL  87           H        VAL  87   1.893  -6.477   2.803
  674    HA   VAL  87           HA       VAL  87   0.085  -4.205   2.292
  675    HB   VAL  87           HB       VAL  87   2.224  -5.109   0.316
  676   HG11  VAL  87          HG11      VAL  87   1.326  -3.228  -1.041
  677   HG12  VAL  87          HG12      VAL  87   0.120  -4.501  -0.779
  678   HG13  VAL  87          HG13      VAL  87   0.027  -3.004   0.163
  679   HG21  VAL  87          HG21      VAL  87   3.306  -3.707   1.923
  680   HG22  VAL  87          HG22      VAL  87   2.906  -2.649   0.549
  681   HG23  VAL  87          HG23      VAL  87   1.909  -2.612   2.015
  682    H    GLN  88           H        GLN  88  -1.821  -5.112   1.808
  683    HA   GLN  88           HA       GLN  88  -2.054  -7.275  -0.117
  684    HB2  GLN  88           HB2      GLN  88  -3.205  -8.843   1.397
  685    HB3  GLN  88           HB3      GLN  88  -1.528  -8.606   1.889
  686    HG2  GLN  88           HG2      GLN  88  -3.878  -7.111   3.134
  687    HG3  GLN  88           HG3      GLN  88  -3.255  -8.634   3.761
  688   HE21  GLN  88          HE22      GLN  88  -3.186  -5.456   4.424
  689   HE22  GLN  88          HE21      GLN  88  -1.570  -5.320   5.097
  690    H    MET  89           H        MET  89  -4.492  -7.885  -0.348
  691    HA   MET  89           HA       MET  89  -5.904  -5.438  -0.760
  692    HB2  MET  89           HB2      MET  89  -6.943  -8.296  -0.759
  693    HB3  MET  89           HB3      MET  89  -7.726  -6.888  -1.512
  694    HG2  MET  89           HG2      MET  89  -5.012  -8.056  -2.233
  695    HG3  MET  89           HG3      MET  89  -6.486  -8.209  -3.182
  696    HE1  MET  89           HE1      MET  89  -4.563  -7.488  -5.075
  697    HE2  MET  89           HE2      MET  89  -3.808  -5.872  -5.101
  698    HE3  MET  89           HE3      MET  89  -3.363  -7.023  -3.837
  699    H    ALA  90           H        ALA  90  -7.811  -4.644   0.155
  700    HA   ALA  90           HA       ALA  90  -7.897  -5.006   3.061
  701    HB1  ALA  90           HB1      ALA  90  -9.230  -2.960   3.012
  702    HB2  ALA  90           HB2      ALA  90  -7.763  -2.760   2.030
  703    HB3  ALA  90           HB3      ALA  90  -9.334  -3.036   1.234
  704    H    ARG  91           H        ARG  91 -10.310  -4.480   3.901
  705    HA   ARG  91           HA       ARG  91 -12.299  -6.222   2.552
  706    HB2  ARG  91           HB2      ARG  91 -12.786  -7.406   4.602
  707    HB3  ARG  91           HB3      ARG  91 -11.050  -7.566   4.255
  708    HG2  ARG  91           HG2      ARG  91 -10.632  -5.638   5.824
  709    HG3  ARG  91           HG3      ARG  91 -12.352  -5.647   6.235
  710    HD2  ARG  91           HD2      ARG  91 -12.129  -7.994   7.033
  711    HD3  ARG  91           HD3      ARG  91 -10.401  -7.945   6.633
  712    HE   ARG  91           HE       ARG  91 -11.111  -5.742   8.351
  713   HH11  ARG  91          HH11      ARG  91 -10.502  -9.225   8.408
  714   HH12  ARG  91          HH12      ARG  91 -10.007  -9.227  10.087
  715   HH21  ARG  91          HH21      ARG  91 -10.440  -5.760  10.500
  716   HH22  ARG  91          HH22      ARG  91  -9.964  -7.257  11.273
  717    H    TYR  92           H        TYR  92 -14.437  -6.058   3.965
  718    HA   TYR  92           HA       TYR  92 -16.237  -4.728   4.370
  719    HB2  TYR  92           HB2      TYR  92 -14.295  -3.084   5.999
  720    HB3  TYR  92           HB3      TYR  92 -16.034  -3.217   6.229
  721    HD1  TYR  92           HD1      TYR  92 -16.236  -6.286   5.919
  722    HD2  TYR  92           HD2      TYR  92 -13.580  -3.725   8.133
  723    HE1  TYR  92           HE1      TYR  92 -15.870  -8.098   7.571
  724    HE2  TYR  92           HE2      TYR  92 -13.202  -5.530   9.785
  725    HH   TYR  92           HH       TYR  92 -14.801  -8.733   9.501
  726    H    GLY  93           H        GLY  93 -16.601  -2.033   4.862
  727    HA2  GLY  93           HA2      GLY  93 -15.397  -0.566   2.548
  728    HA3  GLY  93           HA3      GLY  93 -17.146  -0.524   2.883
  729    H    ARG  94           H        ARG  94 -16.993  -0.497   5.810
  730    HA   ARG  94           HA       ARG  94 -15.053   1.409   6.690
  731    HB2  ARG  94           HB2      ARG  94 -16.378   3.231   6.342
  732    HB3  ARG  94           HB3      ARG  94 -17.787   2.234   5.946
  733    HG2  ARG  94           HG2      ARG  94 -18.273   1.852   8.252
  734    HG3  ARG  94           HG3      ARG  94 -16.814   2.748   8.777
  735    HD2  ARG  94           HD2      ARG  94 -17.692   4.828   8.133
  736    HD3  ARG  94           HD3      ARG  94 -18.877   4.089   7.044
  737    HE   ARG  94           HE       ARG  94 -20.373   3.906   8.745
  738   HH11  ARG  94          HH11      ARG  94 -17.178   4.387  10.263
  739   HH12  ARG  94          HH12      ARG  94 -17.869   4.431  11.862
  740   HH21  ARG  94          HH21      ARG  94 -21.175   3.998  10.838
  741   HH22  ARG  94          HH22      ARG  94 -20.089   4.249  12.187
  742    HA   PRO  95           HA       PRO  95 -15.686  -1.239  10.228
  743    HB2  PRO  95           HB2      PRO  95 -15.015   0.566  12.236
  744    HB3  PRO  95           HB3      PRO  95 -13.863  -0.319  11.177
  745    HG2  PRO  95           HG2      PRO  95 -14.943   2.509  10.781
  746    HG3  PRO  95           HG3      PRO  95 -13.234   1.975  10.690
  747    HD2  PRO  95           HD2      PRO  95 -14.676   2.255   8.475
  748    HD3  PRO  95           HD3      PRO  95 -13.623   0.819   8.656
  749    HA   PRO  96           HA       PRO  96 -19.897   0.110  11.167
  750    HB2  PRO  96           HB2      PRO  96 -20.859  -2.278  12.004
  751    HB3  PRO  96           HB3      PRO  96 -20.453  -1.991  10.269
  752    HG2  PRO  96           HG2      PRO  96 -18.748  -3.322  12.402
  753    HG3  PRO  96           HG3      PRO  96 -19.140  -3.941  10.756
  754    HD2  PRO  96           HD2      PRO  96 -16.824  -2.591  11.295
  755    HD3  PRO  96           HD3      PRO  96 -17.683  -2.399   9.737
  756    H    ASP  97           H        ASP  97 -17.368  -0.637  13.192
  757    HA   ASP  97           HA       ASP  97 -19.022  -0.442  15.667
  758    HB2  ASP  97           HB2      ASP  97 -17.985  -2.677  15.231
  759    HB3  ASP  97           HB3      ASP  97 -16.390  -1.907  15.298
  760    H    SER  98           H        SER  98 -17.747   1.702  13.971
  761    HA   SER  98           HA       SER  98 -16.275   3.032  16.177
  762    HB2  SER  98           HB2      SER  98 -15.287   2.817  13.299
  763    HB3  SER  98           HB3      SER  98 -14.562   3.826  14.570
  764    HG   SER  98           HG       SER  98 -13.517   1.788  14.322
  765    H    HIS  99           H        HIS  99 -16.016   5.366  15.773
  766    HA   HIS  99           HA       HIS  99 -17.032   7.359  15.574
  767    HB2  HIS  99           HB2      HIS  99 -15.842   7.121  13.489
  768    HB3  HIS  99           HB3      HIS  99 -17.260   6.406  12.709
  769    HD2  HIS  99           HD2      HIS  99 -17.559   9.518  14.995
  770    HE1  HIS  99           HE1      HIS  99 -18.336  10.805  11.017
  771    HE2  HIS  99           HE2      HIS  99 -18.338  11.494  13.474
  772    H    HIS 100           H        HIS 100 -18.849   5.385  16.580
  773    HA   HIS 100           HA       HIS 100 -21.453   5.715  15.435
  774    HB2  HIS 100           HB2      HIS 100 -20.619   5.217  18.317
  775    HB3  HIS 100           HB3      HIS 100 -22.245   5.019  17.674
  776    HD2  HIS 100           HD2      HIS 100 -21.627   3.433  14.978
  777    HE1  HIS 100           HE1      HIS 100 -19.737   0.549  17.470
  778    HE2  HIS 100           HE2      HIS 100 -20.770   0.968  15.181
  779    H    SER 101           H        SER 101 -19.377   7.963  16.979
  780    HA   SER 101           HA       SER 101 -21.462  10.020  16.996
  781    HB2  SER 101           HB2      SER 101 -20.950  10.682  19.338
  782    HB3  SER 101           HB3      SER 101 -21.761   9.113  19.220
  783    HG   SER 101           HG       SER 101 -18.947   9.452  19.409
  784    H5'    U 102           H5'        U 102  -8.401  -2.117  14.958
  785   H5''    U 102          H5''        U 102  -8.429  -3.282  13.600
  786    H4'    U 102           H4'        U 102  -6.883  -1.632  12.939
  787    H3'    U 102           H3'        U 102  -5.844  -4.209  13.406
  788    H2'    U 102           H2'        U 102  -4.922  -3.550  15.536
  789   HO2'    U 102          HO2'        U 102  -2.995  -2.989  13.512
  790    H1'    U 102           H1'        U 102  -4.241  -0.979  14.075
  791    H3     U 102           H3         U 102  -4.652  -0.867  19.390
  792    H5     U 102           H5         U 102  -1.338   0.457  17.159
  793    H6     U 102           H6         U 102  -2.483  -0.393  15.143
  794   HO5'    U 102          HO5'        U 102  -8.281  -4.292  15.676
  795    H5'    C 103           H5'        C 103  -6.268  -1.190   9.393
  796   H5''    C 103          H5''        C 103  -6.733  -0.846  11.072
  797    H4'    C 103           H4'        C 103  -8.594  -0.178   9.848
  798    H3'    C 103           H3'        C 103  -8.968  -2.270  11.586
  799    H2'    C 103           H2'        C 103  -8.754  -4.035  10.054
  800   HO2'    C 103          HO2'        C 103 -11.453  -3.206   9.955
  801    H1'    C 103           H1'        C 103 -10.282  -2.589   7.920
  802    H41    C 103           H41        C 103  -7.151  -6.526   4.043
  803    H42    C 103           H42        C 103  -6.161  -7.121   5.362
  804    H5     C 103           H5         C 103  -6.242  -6.167   7.613
  805    H6     C 103           H6         C 103  -7.327  -4.564   9.021
  806    H5'    C 104           H5'        C 104  -9.637   2.536  11.202
  807   H5''    C 104          H5''        C 104 -11.353   2.782  11.583
  808    H4'    C 104           H4'        C 104 -10.384   4.456   9.973
  809    H3'    C 104           H3'        C 104 -12.647   2.749   8.949
  810    H2'    C 104           H2'        C 104 -12.612   3.974   7.000
  811   HO2'    C 104          HO2'        C 104 -11.442   5.957   6.835
  812    H1'    C 104           H1'        C 104  -9.841   4.253   6.891
  813    H41    C 104           H41        C 104 -11.883  -0.465   3.021
  814    H42    C 104           H42        C 104 -12.413  -1.426   4.384
  815    H5     C 104           H5         C 104 -12.294  -0.611   6.707
  816    H6     C 104           H6         C 104 -11.594   1.243   8.101
  817    H5'    A 105           H5'        A 105 -16.022   7.196   9.900
  818   H5''    A 105          H5''        A 105 -15.154   8.472   9.044
  819    H4'    A 105           H4'        A 105 -14.987   8.770  11.459
  820    H3'    A 105           H3'        A 105 -12.751   8.741   9.658
  821    H2'    A 105           H2'        A 105 -11.835   6.842  10.706
  822   HO2'    A 105          HO2'        A 105 -11.085   9.052  12.341
  823    H1'    A 105           H1'        A 105 -13.084   8.001  13.224
  824    H8     A 105           H8         A 105 -11.289   5.062  11.711
  825    H61    A 105           H61        A 105 -11.137   2.724  17.472
  826    H62    A 105           H62        A 105 -10.603   2.478  15.822
  827    H2     A 105           H2         A 105 -13.604   6.411  17.513
  828    H5'    G 106           H5'        G 106 -10.611  11.594  10.487
  829   H5''    G 106          H5''        G 106 -11.522  13.036  10.951
  830    H4'    G 106           H4'        G 106  -9.983  13.890   9.472
  831    H3'    G 106           H3'        G 106 -12.656  13.944   8.729
  832    H2'    G 106           H2'        G 106 -12.738  12.447   7.023
  833   HO2'    G 106          HO2'        G 106 -11.264  14.551   5.826
  834    H1'    G 106           H1'        G 106  -9.956  12.544   6.075
  835    H8     G 106           H8         G 106 -12.629  10.409   7.952
  836    H1     G 106           H1         G 106  -8.947   7.318   3.697
  837    H21    G 106           H21        G 106  -7.384   8.672   2.953
  838    H22    G 106           H22        G 106  -7.293  10.361   3.433
  839    H5'    U 107           H5'        U 107 -11.452  16.722   5.338
  840   H5''    U 107          H5''        U 107 -12.072  18.300   5.866
  841    H4'    U 107           H4'        U 107 -14.309  17.614   4.810
  842    H3'    U 107           H3'        U 107 -12.489  15.466   3.673
  843   HO3'    U 107          HO3'        U 107 -14.007  14.816   5.256
  844    H2'    U 107           H2'        U 107 -13.779  15.615   1.643
  845   HO2'    U 107          HO2'        U 107 -15.824  15.974   2.881
  846    H1'    U 107           H1'        U 107 -13.841  18.313   1.595
  847    H3     U 107           H3         U 107  -8.736  17.079   1.454
  848    H5     U 107           H5         U 107 -11.269  16.835  -1.887
  849    H6     U 107           H6         U 107 -13.148  17.224  -0.419
  Start of MODEL    5
    1    H    MET   1           H1       MET   1  -6.804  20.807   5.353
    2    HA   MET   1           HA       MET   1  -4.344  19.775   6.547
    3    HB2  MET   1           HB2      MET   1  -5.423  17.626   6.719
    4    HB3  MET   1           HB3      MET   1  -6.372  18.829   7.588
    5    HG2  MET   1           HG2      MET   1  -7.002  17.809   4.784
    6    HG3  MET   1           HG3      MET   1  -7.726  17.204   6.264
    7    HE1  MET   1           HE1      MET   1 -10.107  17.479   5.377
    8    HE2  MET   1           HE2      MET   1 -10.749  18.973   4.652
    9    HE3  MET   1           HE3      MET   1  -9.457  18.062   3.828
   10    H    SER   2           H        SER   2  -4.433  17.317   5.102
   11    HA   SER   2           HA       SER   2  -4.167  18.175   2.270
   12    HB2  SER   2           HB2      SER   2  -1.996  16.751   3.864
   13    HB3  SER   2           HB3      SER   2  -1.937  17.172   2.136
   14    HG   SER   2           HG       SER   2  -2.077  19.352   2.737
   15    H    TYR   3           H        TYR   3  -6.014  16.392   3.934
   16    HA   TYR   3           HA       TYR   3  -5.762  13.975   2.220
   17    HB2  TYR   3           HB2      TYR   3  -6.282  13.965   5.217
   18    HB3  TYR   3           HB3      TYR   3  -6.320  12.563   4.149
   19    HD1  TYR   3           HD1      TYR   3  -4.088  15.090   5.715
   20    HD2  TYR   3           HD2      TYR   3  -4.345  11.500   3.367
   21    HE1  TYR   3           HE1      TYR   3  -1.630  14.798   5.909
   22    HE2  TYR   3           HE2      TYR   3  -1.884  11.179   3.574
   23    HH   TYR   3           HH       TYR   3   0.181  13.542   5.315
   24    H    GLY   4           H        GLY   4  -7.870  12.625   2.471
   25    HA2  GLY   4           HA2      GLY   4 -10.259  14.143   3.107
   26    HA3  GLY   4           HA3      GLY   4  -9.942  14.013   1.363
   27    H    ARG   5           H        ARG   5 -12.271  12.962   2.292
   28    HA   ARG   5           HA       ARG   5 -12.177  10.273   3.146
   29    HB2  ARG   5           HB2      ARG   5 -14.544  10.248   2.552
   30    HB3  ARG   5           HB3      ARG   5 -14.122  11.761   3.372
   31    HG2  ARG   5           HG2      ARG   5 -13.893  12.833   1.081
   32    HG3  ARG   5           HG3      ARG   5 -14.545  11.342   0.377
   33    HD2  ARG   5           HD2      ARG   5 -15.929  13.084   2.454
   34    HD3  ARG   5           HD3      ARG   5 -16.276  13.099   0.720
   35    HE   ARG   5           HE       ARG   5 -16.636  10.468   1.341
   36   HH11  ARG   5          HH11      ARG   5 -17.853  13.459   2.793
   37   HH12  ARG   5          HH12      ARG   5 -19.341  12.727   3.335
   38   HH21  ARG   5          HH21      ARG   5 -18.587   9.535   2.080
   39   HH22  ARG   5          HH22      ARG   5 -19.753  10.513   2.941
   40    HA   PRO   6           HA       PRO   6 -11.260   7.840  -0.449
   41    HB2  PRO   6           HB2      PRO   6 -13.641   6.239   0.465
   42    HB3  PRO   6           HB3      PRO   6 -11.996   5.662   0.037
   43    HG2  PRO   6           HG2      PRO   6 -12.742   5.878   2.626
   44    HG3  PRO   6           HG3      PRO   6 -11.109   6.410   2.098
   45    HD2  PRO   6           HD2      PRO   6 -13.552   8.117   2.660
   46    HD3  PRO   6           HD3      PRO   6 -11.845   8.421   3.092
   47    HA   PRO   7           HA       PRO   7 -14.235   8.966  -3.558
   48    HB2  PRO   7           HB2      PRO   7 -13.906   7.016  -5.462
   49    HB3  PRO   7           HB3      PRO   7 -12.691   8.295  -5.137
   50    HG2  PRO   7           HG2      PRO   7 -12.747   5.440  -4.123
   51    HG3  PRO   7           HG3      PRO   7 -11.362   6.345  -4.825
   52    HD2  PRO   7           HD2      PRO   7 -11.727   6.083  -2.123
   53    HD3  PRO   7           HD3      PRO   7 -11.039   7.574  -2.839
   54    HA   PRO   8           HA       PRO   8 -17.902   6.757  -2.658
   55    HB2  PRO   8           HB2      PRO   8 -19.583   7.491  -4.664
   56    HB3  PRO   8           HB3      PRO   8 -18.875   8.699  -3.542
   57    HG2  PRO   8           HG2      PRO   8 -17.844   7.906  -6.290
   58    HG3  PRO   8           HG3      PRO   8 -18.189   9.566  -5.684
   59    HD2  PRO   8           HD2      PRO   8 -15.687   8.497  -5.615
   60    HD3  PRO   8           HD3      PRO   8 -16.283   9.541  -4.287
   61    H    ASP   9           H        ASP   9 -15.848   5.226  -4.474
   62    HA   ASP   9           HA       ASP   9 -17.831   3.279  -5.529
   63    HB2  ASP   9           HB2      ASP   9 -17.022   4.848  -7.328
   64    HB3  ASP   9           HB3      ASP   9 -15.386   4.238  -7.061
   65    H    VAL  10           H        VAL  10 -15.603   3.610  -3.251
   66    HA   VAL  10           HA       VAL  10 -13.746   1.494  -3.761
   67    HB   VAL  10           HB       VAL  10 -13.425   1.474  -1.303
   68   HG11  VAL  10          HG11      VAL  10 -13.562   4.268  -2.493
   69   HG12  VAL  10          HG12      VAL  10 -12.544   3.742  -1.134
   70   HG13  VAL  10          HG13      VAL  10 -12.246   3.101  -2.764
   71   HG21  VAL  10          HG21      VAL  10 -14.621   3.108   0.091
   72   HG22  VAL  10          HG22      VAL  10 -15.636   3.574  -1.289
   73   HG23  VAL  10          HG23      VAL  10 -15.749   1.934  -0.602
   74    H    GLU  11           H        GLU  11 -17.115   1.374  -3.253
   75    HA   GLU  11           HA       GLU  11 -17.216  -1.182  -1.874
   76    HB2  GLU  11           HB2      GLU  11 -19.329   0.316  -3.482
   77    HB3  GLU  11           HB3      GLU  11 -19.624  -1.045  -2.381
   78    HG2  GLU  11           HG2      GLU  11 -18.673   0.286  -0.507
   79    HG3  GLU  11           HG3      GLU  11 -18.462   1.661  -1.605
   80    H    GLY  12           H        GLY  12 -16.167  -0.416  -4.917
   81    HA2  GLY  12           HA2      GLY  12 -16.560  -3.128  -5.923
   82    HA3  GLY  12           HA3      GLY  12 -17.415  -1.873  -6.841
   83    H    MET  13           H        MET  13 -14.303  -1.351  -5.189
   84    HA   MET  13           HA       MET  13 -12.836  -1.455  -7.755
   85    HB2  MET  13           HB2      MET  13 -13.820   0.814  -7.504
   86    HB3  MET  13           HB3      MET  13 -12.963   1.002  -5.964
   87    HG2  MET  13           HG2      MET  13 -10.835   0.971  -7.054
   88    HG3  MET  13           HG3      MET  13 -11.538   0.382  -8.564
   89    HE1  MET  13           HE1      MET  13 -11.569   3.357  -5.994
   90    HE2  MET  13           HE2      MET  13 -12.363   4.648  -6.922
   91    HE3  MET  13           HE3      MET  13 -13.297   3.219  -6.420
   92    H    THR  14           H        THR  14 -10.433  -1.212  -7.364
   93    HA   THR  14           HA       THR  14  -9.571  -3.086  -5.471
   94    HB   THR  14           HB       THR  14  -7.832  -0.884  -6.616
   95   HG21  THR  14          HG21      THR  14  -6.189  -2.749  -6.800
   96   HG22  THR  14          HG22      THR  14  -6.704  -2.499  -5.121
   97   HG23  THR  14          HG23      THR  14  -7.369  -3.851  -6.067
   98    H    SER  15           H        SER  15  -8.246  -2.866  -3.576
   99    HA   SER  15           HA       SER  15  -8.305  -0.297  -2.138
  100    HB2  SER  15           HB2      SER  15  -9.750  -2.801  -1.172
  101    HB3  SER  15           HB3      SER  15  -9.398  -1.378  -0.163
  102    HG   SER  15           HG       SER  15 -10.944  -1.394  -2.538
  103    H    LEU  16           H        LEU  16  -6.038  -1.300  -3.044
  104    HA   LEU  16           HA       LEU  16  -4.826  -3.395  -1.502
  105    HB2  LEU  16           HB2      LEU  16  -4.247  -2.669  -3.807
  106    HB3  LEU  16           HB3      LEU  16  -3.573  -1.167  -3.156
  107    HG   LEU  16           HG       LEU  16  -1.989  -3.090  -3.801
  108   HD11  LEU  16          HD11      LEU  16  -1.632  -1.952  -1.016
  109   HD12  LEU  16          HD12      LEU  16  -0.380  -2.481  -2.179
  110   HD13  LEU  16          HD13      LEU  16  -1.345  -1.049  -2.529
  111   HD21  LEU  16          HD21      LEU  16  -1.533  -4.787  -2.182
  112   HD22  LEU  16          HD22      LEU  16  -2.719  -4.120  -1.044
  113   HD23  LEU  16          HD23      LEU  16  -3.263  -4.871  -2.571
  114    H    LYS  17           H        LYS  17  -4.823  -3.053   0.694
  115    HA   LYS  17           HA       LYS  17  -4.168  -0.459   1.813
  116    HB2  LYS  17           HB2      LYS  17  -5.779  -1.486   3.037
  117    HB3  LYS  17           HB3      LYS  17  -5.096  -3.117   2.823
  118    HG2  LYS  17           HG2      LYS  17  -3.380  -2.616   4.511
  119    HG3  LYS  17           HG3      LYS  17  -3.984  -0.945   4.648
  120    HD2  LYS  17           HD2      LYS  17  -6.183  -1.778   5.384
  121    HD3  LYS  17           HD3      LYS  17  -5.624  -3.452   5.182
  122    HE2  LYS  17           HE2      LYS  17  -5.556  -2.802   7.534
  123    HE3  LYS  17           HE3      LYS  17  -3.931  -3.131   6.920
  124    HZ1  LYS  17           HZ1      LYS  17  -5.126  -0.459   7.237
  125    HZ2  LYS  17           HZ2      LYS  17  -4.051  -1.163   8.267
  126    HZ3  LYS  17           HZ3      LYS  17  -3.579  -0.765   6.747
  127    H    VAL  18           H        VAL  18  -2.440  -0.059   3.277
  128    HA   VAL  18           HA       VAL  18  -0.098  -1.912   3.215
  129    HB   VAL  18           HB       VAL  18  -0.192   1.081   2.827
  130   HG11  VAL  18          HG11      VAL  18   2.256  -0.716   2.993
  131   HG12  VAL  18          HG12      VAL  18   2.239   1.038   2.659
  132   HG13  VAL  18          HG13      VAL  18   1.714   0.439   4.231
  133   HG21  VAL  18          HG21      VAL  18   0.814   0.700   0.625
  134   HG22  VAL  18          HG22      VAL  18   0.819  -1.054   0.898
  135   HG23  VAL  18          HG23      VAL  18  -0.722  -0.170   0.751
  136    H    ASP  19           H        ASP  19   0.891  -2.096   5.198
  137    HA   ASP  19           HA       ASP  19   0.349  -0.241   7.398
  138    HB2  ASP  19           HB2      ASP  19  -0.769  -1.913   8.787
  139    HB3  ASP  19           HB3      ASP  19  -1.697  -1.619   7.306
  140    H    ASN  20           H        ASN  20   1.123  -1.388   9.526
  141    HA   ASN  20           HA       ASN  20   2.532  -2.519  10.813
  142    HB2  ASN  20           HB2      ASN  20   2.380  -4.335   8.936
  143    HB3  ASN  20           HB3      ASN  20   4.008  -3.795   8.523
  144   HD21  ASN  20          HD22      ASN  20   5.732  -4.298   9.993
  145   HD22  ASN  20          HD21      ASN  20   5.493  -5.393  11.343
  146    H    LEU  21           H        LEU  21   3.385  -0.086   8.765
  147    HA   LEU  21           HA       LEU  21   6.173   0.122   9.023
  148    HB2  LEU  21           HB2      LEU  21   5.771   2.559   8.681
  149    HB3  LEU  21           HB3      LEU  21   5.066   1.497   7.480
  150    HG   LEU  21           HG       LEU  21   3.678   3.438   8.107
  151   HD11  LEU  21          HD11      LEU  21   2.200   0.903   8.860
  152   HD12  LEU  21          HD12      LEU  21   1.609   2.343   8.038
  153   HD13  LEU  21          HD13      LEU  21   2.732   1.274   7.184
  154   HD21  LEU  21          HD21      LEU  21   2.433   3.518  10.178
  155   HD22  LEU  21          HD22      LEU  21   3.191   2.018  10.747
  156   HD23  LEU  21          HD23      LEU  21   4.171   3.489  10.535
  157    H    THR  22           H        THR  22   7.164   2.151  10.250
  158    HA   THR  22           HA       THR  22   7.281   1.177  12.958
  159    HB   THR  22           HB       THR  22   9.021   2.765  13.270
  160   HG21  THR  22          HG21      THR  22   9.615   0.906  11.768
  161   HG22  THR  22          HG22      THR  22   9.138   1.898  10.356
  162   HG23  THR  22          HG23      THR  22  10.506   2.390  11.377
  163    H    TYR  23           H        TYR  23   7.289   2.639  14.856
  164    HA   TYR  23           HA       TYR  23   4.811   4.132  15.065
  165    HB2  TYR  23           HB2      TYR  23   5.500   4.416  17.385
  166    HB3  TYR  23           HB3      TYR  23   5.688   2.737  16.879
  167    HD1  TYR  23           HD1      TYR  23   7.948   1.770  16.520
  168    HD2  TYR  23           HD2      TYR  23   7.393   5.753  18.034
  169    HE1  TYR  23           HE1      TYR  23  10.311   1.805  17.271
  170    HE2  TYR  23           HE2      TYR  23   9.759   5.804  18.784
  171    HH   TYR  23           HH       TYR  23  11.971   3.026  18.279
  172    H    ARG  24           H        ARG  24   7.364   5.005  13.366
  173    HA   ARG  24           HA       ARG  24   7.408   7.842  14.311
  174    HB2  ARG  24           HB2      ARG  24   9.676   6.140  13.205
  175    HB3  ARG  24           HB3      ARG  24   9.793   7.877  13.549
  176    HG2  ARG  24           HG2      ARG  24   9.272   5.676  15.583
  177    HG3  ARG  24           HG3      ARG  24  10.795   6.537  15.352
  178    HD2  ARG  24           HD2      ARG  24   8.160   7.810  16.181
  179    HD3  ARG  24           HD3      ARG  24   9.519   7.445  17.260
  180    HE   ARG  24           HE       ARG  24  10.550   9.041  15.187
  181   HH11  ARG  24          HH11      ARG  24   8.183   9.336  17.799
  182   HH12  ARG  24          HH12      ARG  24   8.422  11.061  17.983
  183   HH21  ARG  24          HH21      ARG  24  10.832  11.298  15.440
  184   HH22  ARG  24          HH22      ARG  24   9.917  12.165  16.646
  185    H    THR  25           H        THR  25   6.773   5.650  11.755
  186    HA   THR  25           HA       THR  25   7.306   7.397   9.527
  187    HB   THR  25           HB       THR  25   5.333   5.098   9.868
  188   HG21  THR  25          HG21      THR  25   6.472   6.448   7.388
  189   HG22  THR  25          HG22      THR  25   5.694   4.852   7.376
  190   HG23  THR  25          HG23      THR  25   4.756   6.285   7.838
  191    H    SER  26           H        SER  26   5.479   8.297   8.150
  192    HA   SER  26           HA       SER  26   3.219   9.355   9.774
  193    HB2  SER  26           HB2      SER  26   5.202  10.972   8.116
  194    HB3  SER  26           HB3      SER  26   3.729  11.621   8.870
  195    HG   SER  26           HG       SER  26   5.592  11.941  10.163
  196    HA   PRO  27           HA       PRO  27   1.001   8.524   6.101
  197    HB2  PRO  27           HB2      PRO  27  -0.874  10.491   5.882
  198    HB3  PRO  27           HB3      PRO  27  -0.888   9.278   7.204
  199    HG2  PRO  27           HG2      PRO  27   0.183  12.108   7.293
  200    HG3  PRO  27           HG3      PRO  27  -0.862  11.281   8.490
  201    HD2  PRO  27           HD2      PRO  27   1.851  11.496   8.772
  202    HD3  PRO  27           HD3      PRO  27   0.966  10.064   9.367
  203    H    ASP  28           H        ASP  28   2.643  11.633   6.315
  204    HA   ASP  28           HA       ASP  28   2.325  12.341   3.530
  205    HB2  ASP  28           HB2      ASP  28   2.829  14.001   5.273
  206    HB3  ASP  28           HB3      ASP  28   4.346  13.169   5.642
  207    H    THR  29           H        THR  29   4.653  10.387   5.417
  208    HA   THR  29           HA       THR  29   6.610  10.328   3.257
  209    HB   THR  29           HB       THR  29   7.097   8.087   4.802
  210   HG21  THR  29          HG21      THR  29   8.026  10.949   5.265
  211   HG22  THR  29          HG22      THR  29   8.830   9.484   5.877
  212   HG23  THR  29          HG23      THR  29   8.728   9.788   4.120
  213    H    LEU  30           H        LEU  30   3.935   8.245   4.391
  214    HA   LEU  30           HA       LEU  30   4.583   6.105   2.569
  215    HB2  LEU  30           HB2      LEU  30   1.944   6.785   3.922
  216    HB3  LEU  30           HB3      LEU  30   2.380   5.250   3.147
  217    HG   LEU  30           HG       LEU  30   3.947   6.395   5.491
  218   HD11  LEU  30          HD11      LEU  30   2.692   4.814   6.877
  219   HD12  LEU  30          HD12      LEU  30   1.572   5.938   6.087
  220   HD13  LEU  30          HD13      LEU  30   1.745   4.282   5.463
  221   HD21  LEU  30          HD21      LEU  30   4.726   4.019   5.640
  222   HD22  LEU  30          HD22      LEU  30   3.802   3.647   4.174
  223   HD23  LEU  30          HD23      LEU  30   5.179   4.773   4.097
  224    H    ARG  31           H        ARG  31   2.357   8.949   2.448
  225    HA   ARG  31           HA       ARG  31   1.097   8.358  -0.008
  226    HB2  ARG  31           HB2      ARG  31   0.340  10.237   1.273
  227    HB3  ARG  31           HB3      ARG  31   1.969  10.924   1.351
  228    HG2  ARG  31           HG2      ARG  31   0.596  12.214  -0.204
  229    HG3  ARG  31           HG3      ARG  31   1.938  11.432  -1.034
  230    HD2  ARG  31           HD2      ARG  31   0.282   9.542  -1.622
  231    HD3  ARG  31           HD3      ARG  31  -0.991  10.640  -1.061
  232    HE   ARG  31           HE       ARG  31   0.959  11.512  -3.154
  233   HH11  ARG  31          HH11      ARG  31  -2.386  10.791  -2.276
  234   HH12  ARG  31          HH12      ARG  31  -3.034  11.518  -3.733
  235   HH21  ARG  31          HH21      ARG  31   0.122  12.390  -5.007
  236   HH22  ARG  31          HH22      ARG  31  -1.606  12.420  -5.298
  237    H    ARG  32           H        ARG  32   4.281   9.823   0.641
  238    HA   ARG  32           HA       ARG  32   4.883  10.461  -2.095
  239    HB2  ARG  32           HB2      ARG  32   5.895  11.529  -0.084
  240    HB3  ARG  32           HB3      ARG  32   6.527   9.936   0.416
  241    HG2  ARG  32           HG2      ARG  32   8.032   9.838  -1.465
  242    HG3  ARG  32           HG3      ARG  32   7.379  11.348  -2.142
  243    HD2  ARG  32           HD2      ARG  32   8.719  11.087   0.583
  244    HD3  ARG  32           HD3      ARG  32   9.540  11.617  -0.887
  245    HE   ARG  32           HE       ARG  32   8.255  13.634  -0.902
  246   HH11  ARG  32          HH11      ARG  32   7.635  11.656   1.982
  247   HH12  ARG  32          HH12      ARG  32   6.841  12.983   2.817
  248   HH21  ARG  32          HH21      ARG  32   7.270  15.316   0.276
  249   HH22  ARG  32          HH22      ARG  32   6.663  14.997   1.892
  250    H    VAL  33           H        VAL  33   6.140   7.894   0.094
  251    HA   VAL  33           HA       VAL  33   7.883   6.853  -1.918
  252    HB   VAL  33           HB       VAL  33   8.191   6.687   0.546
  253   HG11  VAL  33          HG11      VAL  33   6.076   4.542   0.431
  254   HG12  VAL  33          HG12      VAL  33   6.956   5.149   1.861
  255   HG13  VAL  33          HG13      VAL  33   5.824   6.222   0.992
  256   HG21  VAL  33          HG21      VAL  33   8.135   4.018  -0.913
  257   HG22  VAL  33          HG22      VAL  33   9.434   5.231  -1.000
  258   HG23  VAL  33          HG23      VAL  33   9.093   4.415   0.542
  259    H    PHE  34           H        PHE  34   4.489   6.228  -1.135
  260    HA   PHE  34           HA       PHE  34   4.456   3.854  -2.878
  261    HB2  PHE  34           HB2      PHE  34   2.418   5.241  -1.130
  262    HB3  PHE  34           HB3      PHE  34   1.930   4.074  -2.347
  263    HD1  PHE  34           HD2      PHE  34   3.953   4.502   0.739
  264    HD2  PHE  34           HD1      PHE  34   2.319   1.742  -2.105
  265    HE1  PHE  34           HE2      PHE  34   4.674   2.628   2.173
  266    HE2  PHE  34           HE1      PHE  34   2.986  -0.161  -0.644
  267    HZ   PHE  34           HZ       PHE  34   4.180   0.287   1.496
  268    H    GLU  35           H        GLU  35   4.103   7.268  -3.162
  269    HA   GLU  35           HA       GLU  35   2.261   7.475  -5.273
  270    HB2  GLU  35           HB2      GLU  35   3.548   9.301  -3.855
  271    HB3  GLU  35           HB3      GLU  35   4.731   9.219  -5.169
  272    HG2  GLU  35           HG2      GLU  35   2.975   9.800  -6.791
  273    HG3  GLU  35           HG3      GLU  35   1.750   9.700  -5.505
  274    H    LYS  36           H        LYS  36   5.502   6.144  -5.302
  275    HA   LYS  36           HA       LYS  36   5.888   6.624  -8.162
  276    HB2  LYS  36           HB2      LYS  36   8.061   5.730  -7.815
  277    HB3  LYS  36           HB3      LYS  36   7.656   6.634  -6.331
  278    HG2  LYS  36           HG2      LYS  36   7.012   4.501  -5.238
  279    HG3  LYS  36           HG3      LYS  36   7.467   3.612  -6.706
  280    HD2  LYS  36           HD2      LYS  36   9.274   3.472  -5.115
  281    HD3  LYS  36           HD3      LYS  36   9.785   4.459  -6.501
  282    HE2  LYS  36           HE2      LYS  36   9.330   6.519  -5.219
  283    HE3  LYS  36           HE3      LYS  36   8.764   5.546  -3.848
  284    HZ1  LYS  36           HZ1      LYS  36  11.038   6.246  -3.557
  285    HZ2  LYS  36           HZ2      LYS  36  10.970   4.612  -3.682
  286    HZ3  LYS  36           HZ3      LYS  36  11.496   5.510  -4.949
  287    H    TYR  37           H        TYR  37   4.499   4.163  -6.164
  288    HA   TYR  37           HA       TYR  37   4.866   1.992  -8.104
  289    HB2  TYR  37           HB2      TYR  37   3.175   2.249  -5.575
  290    HB3  TYR  37           HB3      TYR  37   3.336   0.775  -6.530
  291    HD1  TYR  37           HD2      TYR  37   5.272   3.236  -4.525
  292    HD2  TYR  37           HD1      TYR  37   5.138  -0.693  -6.255
  293    HE1  TYR  37           HE2      TYR  37   7.297   2.627  -3.246
  294    HE2  TYR  37           HE1      TYR  37   7.177  -1.321  -5.006
  295    HH   TYR  37           HH       TYR  37   8.828  -0.622  -3.591
  296    H    GLY  38           H        GLY  38   2.616   4.619  -7.584
  297    HA2  GLY  38           HA2      GLY  38   1.245   4.637  -9.851
  298    HA3  GLY  38           HA3      GLY  38   0.480   3.243  -9.076
  299    H    ARG  39           H        ARG  39  -1.431   4.355  -9.124
  300    HA   ARG  39           HA       ARG  39  -1.889   6.883  -7.903
  301    HB2  ARG  39           HB2      ARG  39  -4.206   6.494  -8.384
  302    HB3  ARG  39           HB3      ARG  39  -3.207   5.940  -9.735
  303    HG2  ARG  39           HG2      ARG  39  -3.421   3.575  -8.587
  304    HG3  ARG  39           HG3      ARG  39  -4.793   4.317  -7.732
  305    HD2  ARG  39           HD2      ARG  39  -5.722   3.299  -9.640
  306    HD3  ARG  39           HD3      ARG  39  -5.674   5.032  -9.998
  307    HE   ARG  39           HE       ARG  39  -3.307   3.521 -10.871
  308   HH11  ARG  39          HH11      ARG  39  -6.532   4.630 -11.781
  309   HH12  ARG  39          HH12      ARG  39  -6.221   4.505 -13.500
  310   HH21  ARG  39          HH21      ARG  39  -2.931   3.340 -13.101
  311   HH22  ARG  39          HH22      ARG  39  -4.174   3.777 -14.249
  312    H    VAL  40           H        VAL  40  -0.908   6.726  -5.853
  313    HA   VAL  40           HA       VAL  40  -2.097   5.191  -3.716
  314    HB   VAL  40           HB       VAL  40   0.113   5.963  -3.532
  315   HG11  VAL  40          HG11      VAL  40  -0.936   8.809  -3.753
  316   HG12  VAL  40          HG12      VAL  40   0.739   8.334  -3.403
  317   HG13  VAL  40          HG13      VAL  40   0.019   7.939  -4.976
  318   HG21  VAL  40          HG21      VAL  40  -1.414   5.892  -1.493
  319   HG22  VAL  40          HG22      VAL  40   0.088   6.833  -1.324
  320   HG23  VAL  40          HG23      VAL  40  -1.458   7.659  -1.555
  321    H    GLY  41           H        GLY  41  -4.200   5.873  -5.024
  322    HA2  GLY  41           HA2      GLY  41  -5.270   8.462  -5.026
  323    HA3  GLY  41           HA3      GLY  41  -6.191   6.966  -5.170
  324    H    ASP  42           H        ASP  42  -4.939   6.364  -2.252
  325    HA   ASP  42           HA       ASP  42  -6.332   8.374  -0.663
  326    HB2  ASP  42           HB2      ASP  42  -8.111   6.724  -1.438
  327    HB3  ASP  42           HB3      ASP  42  -7.274   5.496  -0.476
  328    H    VAL  43           H        VAL  43  -5.839   8.137   1.619
  329    HA   VAL  43           HA       VAL  43  -3.943   6.105   2.489
  330    HB   VAL  43           HB       VAL  43  -2.329   7.337   1.312
  331   HG11  VAL  43          HG11      VAL  43  -3.566   9.278   0.622
  332   HG12  VAL  43          HG12      VAL  43  -3.686   9.882   2.284
  333   HG13  VAL  43          HG13      VAL  43  -2.105   9.824   1.460
  334   HG21  VAL  43          HG21      VAL  43  -2.284   8.554   4.105
  335   HG22  VAL  43          HG22      VAL  43  -1.700   6.927   3.673
  336   HG23  VAL  43          HG23      VAL  43  -0.910   8.356   2.994
  337    H    TYR  44           H        TYR  44  -4.139   5.839   4.660
  338    HA   TYR  44           HA       TYR  44  -5.191   8.093   6.265
  339    HB2  TYR  44           HB2      TYR  44  -7.072   6.706   5.236
  340    HB3  TYR  44           HB3      TYR  44  -6.598   5.446   6.382
  341    HD1  TYR  44           HD1      TYR  44  -6.923   9.205   6.519
  342    HD2  TYR  44           HD2      TYR  44  -8.006   5.413   8.222
  343    HE1  TYR  44           HE1      TYR  44  -8.173  10.376   8.314
  344    HE2  TYR  44           HE2      TYR  44  -9.278   6.570  10.013
  345    HH   TYR  44           HH       TYR  44  -9.446  10.161  10.177
  346    H    ILE  45           H        ILE  45  -5.137   7.714   8.553
  347    HA   ILE  45           HA       ILE  45  -3.699   5.379   9.623
  348    HB   ILE  45           HB       ILE  45  -2.761   8.241  10.045
  349   HG12  ILE  45          HG12      ILE  45  -1.409   5.759   8.889
  350   HG13  ILE  45          HG13      ILE  45  -1.876   7.221   7.990
  351   HG21  ILE  45          HG21      ILE  45  -1.858   5.645  11.380
  352   HG22  ILE  45          HG22      ILE  45  -1.167   7.259  11.665
  353   HG23  ILE  45          HG23      ILE  45  -2.818   6.916  12.166
  354   HD11  ILE  45          HD11      ILE  45   0.487   7.329   8.415
  355   HD12  ILE  45          HD12      ILE  45  -0.324   8.529   9.467
  356   HD13  ILE  45          HD13      ILE  45   0.275   6.988  10.132
  357    HA   PRO  46           HA       PRO  46  -7.542   6.566  11.708
  358    HB2  PRO  46           HB2      PRO  46  -7.263   3.770  12.776
  359    HB3  PRO  46           HB3      PRO  46  -8.679   4.543  12.016
  360    HG2  PRO  46           HG2      PRO  46  -7.156   2.712  10.665
  361    HG3  PRO  46           HG3      PRO  46  -7.830   4.159   9.845
  362    HD2  PRO  46           HD2      PRO  46  -5.021   3.746  10.868
  363    HD3  PRO  46           HD3      PRO  46  -5.585   4.479   9.333
  364    H    ARG  47           H        ARG  47  -4.689   5.209  12.983
  365    HA   ARG  47           HA       ARG  47  -4.115   4.588  15.211
  366    HB2  ARG  47           HB2      ARG  47  -3.177   6.671  16.240
  367    HB3  ARG  47           HB3      ARG  47  -2.709   6.318  14.574
  368    HG2  ARG  47           HG2      ARG  47  -4.481   7.974  13.811
  369    HG3  ARG  47           HG3      ARG  47  -4.641   8.472  15.511
  370    HD2  ARG  47           HD2      ARG  47  -2.196   8.919  15.572
  371    HD3  ARG  47           HD3      ARG  47  -2.083   8.482  13.859
  372    HE   ARG  47           HE       ARG  47  -4.087  10.486  14.161
  373   HH11  ARG  47          HH11      ARG  47  -0.568  10.118  14.317
  374   HH12  ARG  47          HH12      ARG  47  -0.273  11.780  13.855
  375   HH21  ARG  47          HH21      ARG  47  -3.652  12.640  13.581
  376   HH22  ARG  47          HH22      ARG  47  -2.000  13.194  13.444
  377    H    ASP  48           H        ASP  48  -5.310   7.533  16.611
  378    HA   ASP  48           HA       ASP  48  -7.875   6.320  17.446
  379    HB2  ASP  48           HB2      ASP  48  -5.800   7.484  19.348
  380    HB3  ASP  48           HB3      ASP  48  -7.482   7.114  19.774
  381    H    ARG  49           H        ARG  49  -9.437   7.796  17.211
  382    HA   ARG  49           HA       ARG  49  -8.769  10.281  15.953
  383    HB2  ARG  49           HB2      ARG  49 -10.732   8.699  15.532
  384    HB3  ARG  49           HB3      ARG  49 -11.512   9.436  16.942
  385    HG2  ARG  49           HG2      ARG  49 -11.352  11.668  15.814
  386    HG3  ARG  49           HG3      ARG  49 -10.516  10.886  14.447
  387    HD2  ARG  49           HD2      ARG  49 -12.812  11.165  13.848
  388    HD3  ARG  49           HD3      ARG  49 -12.539   9.436  14.139
  389    HE   ARG  49           HE       ARG  49 -13.480   9.966  16.502
  390   HH11  ARG  49          HH11      ARG  49 -14.569  11.593  13.532
  391   HH12  ARG  49          HH12      ARG  49 -16.144  11.945  14.189
  392   HH21  ARG  49          HH21      ARG  49 -15.529  10.469  17.310
  393   HH22  ARG  49          HH22      ARG  49 -16.684  11.313  16.308
  394    H    TYR  50           H        TYR  50  -8.314   9.737  19.093
  395    HA   TYR  50           HA       TYR  50  -9.045  12.524  19.817
  396    HB2  TYR  50           HB2      TYR  50  -9.587  10.230  21.713
  397    HB3  TYR  50           HB3      TYR  50 -10.101  11.904  21.861
  398    HD1  TYR  50           HD2      TYR  50 -11.846  12.759  20.084
  399    HD2  TYR  50           HD1      TYR  50 -10.948   8.616  20.820
  400    HE1  TYR  50           HE2      TYR  50 -14.023  12.114  19.092
  401    HE2  TYR  50           HE1      TYR  50 -13.113   7.955  19.848
  402    HH   TYR  50           HH       TYR  50 -15.070   8.694  18.859
  403    H    THR  51           H        THR  51  -6.819   9.882  19.986
  404    HA   THR  51           HA       THR  51  -5.218  11.365  22.009
  405    HB   THR  51           HB       THR  51  -4.746   9.305  23.209
  406   HG21  THR  51          HG21      THR  51  -7.765   9.493  22.794
  407   HG22  THR  51          HG22      THR  51  -6.910   8.864  24.215
  408   HG23  THR  51          HG23      THR  51  -6.822  10.597  23.832
  409    H    LYS  52           H        LYS  52  -5.372   9.903  18.999
  410    HA   LYS  52           HA       LYS  52  -3.944   8.977  17.563
  411    HB2  LYS  52           HB2      LYS  52  -2.113  10.580  16.964
  412    HB3  LYS  52           HB3      LYS  52  -3.731  11.253  17.120
  413    HG2  LYS  52           HG2      LYS  52  -2.257  12.834  18.069
  414    HG3  LYS  52           HG3      LYS  52  -3.143  12.102  19.403
  415    HD2  LYS  52           HD2      LYS  52  -0.808  12.401  20.000
  416    HD3  LYS  52           HD3      LYS  52  -1.144  10.668  19.893
  417    HE2  LYS  52           HE2      LYS  52  -0.185  10.635  17.600
  418    HE3  LYS  52           HE3      LYS  52   0.133  12.375  17.712
  419    HZ1  LYS  52           HZ1      LYS  52   2.083  11.109  18.243
  420    HZ2  LYS  52           HZ2      LYS  52   1.582  11.930  19.574
  421    HZ3  LYS  52           HZ3      LYS  52   1.307  10.311  19.448
  422    H    GLU  53           H        GLU  53  -3.523   7.658  20.110
  423    HA   GLU  53           HA       GLU  53  -0.624   7.491  20.453
  424    HB2  GLU  53           HB2      GLU  53  -1.138   6.177  22.428
  425    HB3  GLU  53           HB3      GLU  53  -2.165   7.619  22.385
  426    HG2  GLU  53           HG2      GLU  53  -4.028   6.259  21.455
  427    HG3  GLU  53           HG3      GLU  53  -3.006   4.814  21.545
  428    H    SER  54           H        SER  54  -2.260   6.185  18.058
  429    HA   SER  54           HA       SER  54  -0.809   3.596  18.234
  430    HB2  SER  54           HB2      SER  54  -3.672   3.914  17.241
  431    HB3  SER  54           HB3      SER  54  -2.717   2.419  17.246
  432    HG   SER  54           HG       SER  54  -3.788   3.861  19.390
  433    H    ARG  55           H        ARG  55   0.045   5.973  16.918
  434    HA   ARG  55           HA       ARG  55  -0.437   5.870  14.110
  435    HB2  ARG  55           HB2      ARG  55   1.467   7.357  13.962
  436    HB3  ARG  55           HB3      ARG  55   0.502   7.793  15.391
  437    HG2  ARG  55           HG2      ARG  55   2.080   6.585  16.851
  438    HG3  ARG  55           HG3      ARG  55   3.038   6.092  15.440
  439    HD2  ARG  55           HD2      ARG  55   2.514   8.968  16.284
  440    HD3  ARG  55           HD3      ARG  55   3.984   8.053  16.653
  441    HE   ARG  55           HE       ARG  55   3.497   7.997  13.828
  442   HH11  ARG  55          HH11      ARG  55   4.572  10.168  16.398
  443   HH12  ARG  55          HH12      ARG  55   5.542  11.150  15.325
  444   HH21  ARG  55          HH21      ARG  55   4.785   9.279  12.454
  445   HH22  ARG  55          HH22      ARG  55   5.646  10.654  13.093
  446    H    GLY  56           H        GLY  56   0.639   3.344  15.769
  447    HA2  GLY  56           HA2      GLY  56   3.138   2.639  14.543
  448    HA3  GLY  56           HA3      GLY  56   2.075   1.598  15.494
  449    H    PHE  57           H        PHE  57   0.311   2.988  12.888
  450    HA   PHE  57           HA       PHE  57   1.157   1.075  10.852
  451    HB2  PHE  57           HB2      PHE  57  -0.795  -0.227  10.776
  452    HB3  PHE  57           HB3      PHE  57  -0.333  -0.224  12.475
  453    HD1  PHE  57           HD1      PHE  57  -1.498   1.644  13.963
  454    HD2  PHE  57           HD2      PHE  57  -2.934   0.319  10.135
  455    HE1  PHE  57           HE1      PHE  57  -3.744   2.502  14.515
  456    HE2  PHE  57           HE2      PHE  57  -5.171   1.227  10.656
  457    HZ   PHE  57           HZ       PHE  57  -5.598   2.293  12.871
  458    H    ALA  58           H        ALA  58  -0.545   1.194   8.989
  459    HA   ALA  58           HA       ALA  58  -2.009   3.735   8.874
  460    HB1  ALA  58           HB1      ALA  58   0.323   4.251   8.078
  461    HB2  ALA  58           HB2      ALA  58   0.089   3.051   6.779
  462    HB3  ALA  58           HB3      ALA  58  -0.925   4.505   6.848
  463    H    PHE  59           H        PHE  59  -2.741   3.836   6.336
  464    HA   PHE  59           HA       PHE  59  -3.780   1.244   5.380
  465    HB2  PHE  59           HB2      PHE  59  -5.252   2.388   7.215
  466    HB3  PHE  59           HB3      PHE  59  -5.654   3.552   5.957
  467    HD1  PHE  59           HD2      PHE  59  -5.701   1.497   3.593
  468    HD2  PHE  59           HD1      PHE  59  -7.354   1.453   7.567
  469    HE1  PHE  59           HE2      PHE  59  -7.464  -0.079   2.850
  470    HE2  PHE  59           HE1      PHE  59  -9.097  -0.124   6.824
  471    HZ   PHE  59           HZ       PHE  59  -9.142  -0.921   4.469
  472    H    VAL  60           H        VAL  60  -1.811   2.483   4.075
  473    HA   VAL  60           HA       VAL  60  -2.743   4.563   2.271
  474    HB   VAL  60           HB       VAL  60  -0.655   2.467   1.584
  475   HG11  VAL  60          HG11      VAL  60  -1.054   5.348   0.740
  476   HG12  VAL  60          HG12      VAL  60   0.319   4.321   0.277
  477   HG13  VAL  60          HG13      VAL  60  -1.324   3.886  -0.249
  478   HG21  VAL  60          HG21      VAL  60   1.043   3.890   2.568
  479   HG22  VAL  60          HG22      VAL  60  -0.195   5.058   3.116
  480   HG23  VAL  60          HG23      VAL  60  -0.114   3.428   3.827
  481    H    ARG  61           H        ARG  61  -3.592   4.239   0.046
  482    HA   ARG  61           HA       ARG  61  -4.362   1.453  -0.550
  483    HB2  ARG  61           HB2      ARG  61  -6.215   2.103   0.748
  484    HB3  ARG  61           HB3      ARG  61  -6.274   3.715   0.018
  485    HG2  ARG  61           HG2      ARG  61  -7.122   2.858  -2.051
  486    HG3  ARG  61           HG3      ARG  61  -6.730   1.184  -1.613
  487    HD2  ARG  61           HD2      ARG  61  -9.198   1.879  -1.418
  488    HD3  ARG  61           HD3      ARG  61  -8.461   1.039  -0.044
  489    HE   ARG  61           HE       ARG  61  -8.605   4.018  -0.082
  490   HH11  ARG  61          HH11      ARG  61  -9.588   0.925   1.323
  491   HH12  ARG  61          HH12      ARG  61 -10.104   1.648   2.830
  492   HH21  ARG  61          HH21      ARG  61  -9.258   4.919   1.915
  493   HH22  ARG  61          HH22      ARG  61  -9.935   3.887   3.157
  494    H    PHE  62           H        PHE  62  -4.627   0.933  -2.580
  495    HA   PHE  62           HA       PHE  62  -4.436   3.074  -4.659
  496    HB2  PHE  62           HB2      PHE  62  -3.588   0.159  -4.784
  497    HB3  PHE  62           HB3      PHE  62  -3.560   1.272  -6.141
  498    HD1  PHE  62           HD1      PHE  62  -2.211   0.933  -2.647
  499    HD2  PHE  62           HD2      PHE  62  -1.626   2.469  -6.615
  500    HE1  PHE  62           HE1      PHE  62   0.092   1.602  -2.038
  501    HE2  PHE  62           HE2      PHE  62   0.689   3.153  -6.003
  502    HZ   PHE  62           HZ       PHE  62   1.559   2.683  -3.746
  503    H    HIS  63           H        HIS  63  -5.616   2.641  -6.643
  504    HA   HIS  63           HA       HIS  63  -8.164   1.204  -6.094
  505    HB2  HIS  63           HB2      HIS  63  -7.755   3.890  -7.446
  506    HB3  HIS  63           HB3      HIS  63  -9.306   3.071  -7.214
  507    HD2  HIS  63           HD2      HIS  63  -6.543   4.891  -5.231
  508    HE1  HIS  63           HE1      HIS  63  -9.914   4.539  -2.644
  509    HE2  HIS  63           HE2      HIS  63  -7.587   5.563  -2.912
  510    H    ASP  64           H        ASP  64  -5.537   0.777  -7.870
  511    HA   ASP  64           HA       ASP  64  -7.159  -0.487  -9.988
  512    HB2  ASP  64           HB2      ASP  64  -6.292   1.652 -10.929
  513    HB3  ASP  64           HB3      ASP  64  -4.638   1.123 -10.570
  514    H    LYS  65           H        LYS  65  -6.444  -2.495 -10.540
  515    HA   LYS  65           HA       LYS  65  -4.938  -3.743  -8.480
  516    HB2  LYS  65           HB2      LYS  65  -5.391  -5.797  -9.643
  517    HB3  LYS  65           HB3      LYS  65  -6.838  -4.775  -9.652
  518    HG2  LYS  65           HG2      LYS  65  -6.241  -4.022 -11.980
  519    HG3  LYS  65           HG3      LYS  65  -4.894  -5.177 -11.966
  520    HD2  LYS  65           HD2      LYS  65  -7.857  -5.830 -11.706
  521    HD3  LYS  65           HD3      LYS  65  -6.810  -6.184 -13.090
  522    HE2  LYS  65           HE2      LYS  65  -5.412  -7.642 -11.615
  523    HE3  LYS  65           HE3      LYS  65  -6.535  -7.321 -10.280
  524    HZ1  LYS  65           HZ1      LYS  65  -8.281  -8.325 -11.593
  525    HZ2  LYS  65           HZ2      LYS  65  -7.239  -8.620 -12.829
  526    HZ3  LYS  65           HZ3      LYS  65  -7.037  -9.380 -11.387
  527    H    ARG  66           H        ARG  66  -3.875  -2.413 -11.582
  528    HA   ARG  66           HA       ARG  66  -1.618  -4.207 -11.793
  529    HB2  ARG  66           HB2      ARG  66  -1.011  -2.970 -13.682
  530    HB3  ARG  66           HB3      ARG  66  -2.767  -2.789 -13.626
  531    HG2  ARG  66           HG2      ARG  66  -2.303  -0.560 -12.367
  532    HG3  ARG  66           HG3      ARG  66  -0.615  -0.783 -12.885
  533    HD2  ARG  66           HD2      ARG  66  -1.607   0.578 -14.551
  534    HD3  ARG  66           HD3      ARG  66  -1.569  -1.046 -15.272
  535    HE   ARG  66           HE       ARG  66  -4.021  -0.577 -13.828
  536   HH11  ARG  66          HH11      ARG  66  -2.412   0.123 -16.903
  537   HH12  ARG  66          HH12      ARG  66  -3.912   0.435 -17.748
  538   HH21  ARG  66          HH21      ARG  66  -5.931  -0.111 -14.921
  539   HH22  ARG  66          HH22      ARG  66  -5.914   0.243 -16.636
  540    H    ASP  67           H        ASP  67  -2.148  -0.964 -10.411
  541    HA   ASP  67           HA       ASP  67   0.629  -0.590  -9.633
  542    HB2  ASP  67           HB2      ASP  67  -1.950   0.736  -8.686
  543    HB3  ASP  67           HB3      ASP  67  -0.312   1.303  -8.332
  544    H    ALA  68           H        ALA  68  -2.306  -1.988  -8.268
  545    HA   ALA  68           HA       ALA  68  -1.418  -2.113  -5.548
  546    HB1  ALA  68           HB1      ALA  68  -3.303  -3.737  -5.357
  547    HB2  ALA  68           HB2      ALA  68  -3.784  -2.246  -6.208
  548    HB3  ALA  68           HB3      ALA  68  -3.459  -3.742  -7.123
  549    H    GLU  69           H        GLU  69  -1.249  -4.432  -8.309
  550    HA   GLU  69           HA       GLU  69  -0.250  -6.556  -6.646
  551    HB2  GLU  69           HB2      GLU  69  -0.289  -6.104  -9.648
  552    HB3  GLU  69           HB3      GLU  69   0.429  -7.543  -8.888
  553    HG2  GLU  69           HG2      GLU  69  -1.694  -8.092  -7.804
  554    HG3  GLU  69           HG3      GLU  69  -2.454  -6.653  -8.484
  555    H    ASP  70           H        ASP  70   1.347  -3.944  -8.527
  556    HA   ASP  70           HA       ASP  70   3.994  -5.064  -8.101
  557    HB2  ASP  70           HB2      ASP  70   2.986  -2.275  -8.772
  558    HB3  ASP  70           HB3      ASP  70   4.698  -2.690  -8.618
  559    H    ALA  71           H        ALA  71   1.906  -2.727  -6.371
  560    HA   ALA  71           HA       ALA  71   3.842  -1.713  -4.600
  561    HB1  ALA  71           HB1      ALA  71   1.634  -0.712  -4.915
  562    HB2  ALA  71           HB2      ALA  71   0.857  -2.144  -4.197
  563    HB3  ALA  71           HB3      ALA  71   1.889  -1.107  -3.194
  564    H    MET  72           H        MET  72   1.918  -4.750  -4.429
  565    HA   MET  72           HA       MET  72   2.968  -5.220  -1.708
  566    HB2  MET  72           HB2      MET  72   1.602  -7.231  -1.714
  567    HB3  MET  72           HB3      MET  72   0.631  -5.853  -2.280
  568    HG2  MET  72           HG2      MET  72   1.110  -6.501  -4.601
  569    HG3  MET  72           HG3      MET  72   1.996  -7.930  -4.025
  570    HE1  MET  72           HE1      MET  72   0.086  -8.411  -6.158
  571    HE2  MET  72           HE2      MET  72   0.783  -9.766  -5.246
  572    HE3  MET  72           HE3      MET  72  -0.966  -9.721  -5.571
  573    H    ASP  73           H        ASP  73   3.626  -6.191  -5.047
  574    HA   ASP  73           HA       ASP  73   5.265  -8.456  -4.403
  575    HB2  ASP  73           HB2      ASP  73   4.217  -8.060  -6.607
  576    HB3  ASP  73           HB3      ASP  73   5.243  -6.637  -6.848
  577    H    ALA  74           H        ALA  74   5.750  -5.124  -3.862
  578    HA   ALA  74           HA       ALA  74   8.693  -5.587  -3.610
  579    HB1  ALA  74           HB1      ALA  74   7.187  -3.242  -4.739
  580    HB2  ALA  74           HB2      ALA  74   8.948  -3.218  -4.415
  581    HB3  ALA  74           HB3      ALA  74   8.263  -4.328  -5.641
  582    H    MET  75           H        MET  75   5.826  -4.653  -1.989
  583    HA   MET  75           HA       MET  75   7.532  -3.465   0.177
  584    HB2  MET  75           HB2      MET  75   4.656  -2.863  -0.538
  585    HB3  MET  75           HB3      MET  75   5.418  -2.332   0.948
  586    HG2  MET  75           HG2      MET  75   6.720  -1.583  -1.665
  587    HG3  MET  75           HG3      MET  75   5.253  -0.757  -1.140
  588    HE1  MET  75           HE1      MET  75   7.244   2.167   0.007
  589    HE2  MET  75           HE2      MET  75   7.482   1.307  -1.528
  590    HE3  MET  75           HE3      MET  75   5.844   1.506  -0.868
  591    H    ASP  76           H        ASP  76   5.060  -5.965  -0.602
  592    HA   ASP  76           HA       ASP  76   4.343  -6.345   2.143
  593    HB2  ASP  76           HB2      ASP  76   3.008  -7.224   0.242
  594    HB3  ASP  76           HB3      ASP  76   4.318  -8.363  -0.132
  595    H    GLY  77           H        GLY  77   5.479  -7.219   3.765
  596    HA2  GLY  77           HA2      GLY  77   6.950  -8.597   4.888
  597    HA3  GLY  77           HA3      GLY  77   7.362  -9.385   3.352
  598    H    ALA  78           H        ALA  78   7.673  -6.055   2.902
  599    HA   ALA  78           HA       ALA  78  10.533  -6.172   2.767
  600    HB1  ALA  78           HB1      ALA  78   8.614  -3.808   2.660
  601    HB2  ALA  78           HB2      ALA  78  10.312  -3.809   2.120
  602    HB3  ALA  78           HB3      ALA  78   9.116  -4.808   1.278
  603    H    VAL  79           H        VAL  79  11.620  -3.984   3.717
  604    HA   VAL  79           HA       VAL  79  11.013  -3.746   6.611
  605    HB   VAL  79           HB       VAL  79  13.759  -4.405   5.436
  606   HG11  VAL  79          HG11      VAL  79  12.825  -3.983   8.292
  607   HG12  VAL  79          HG12      VAL  79  14.413  -4.633   7.825
  608   HG13  VAL  79          HG13      VAL  79  13.982  -2.978   7.373
  609   HG21  VAL  79          HG21      VAL  79  12.380  -6.404   5.397
  610   HG22  VAL  79          HG22      VAL  79  13.549  -6.523   6.729
  611   HG23  VAL  79          HG23      VAL  79  11.850  -6.125   7.067
  612    H    LEU  80           H        LEU  80  11.691  -1.726   7.477
  613    HA   LEU  80           HA       LEU  80  13.168   0.069   5.628
  614    HB2  LEU  80           HB2      LEU  80  11.655   1.842   5.770
  615    HB3  LEU  80           HB3      LEU  80  10.687   0.425   5.392
  616    HG   LEU  80           HG       LEU  80  10.962   1.857   8.077
  617   HD11  LEU  80          HD11      LEU  80   8.539   2.244   7.759
  618   HD12  LEU  80          HD12      LEU  80   9.502   2.916   6.419
  619   HD13  LEU  80          HD13      LEU  80   8.619   1.387   6.203
  620   HD21  LEU  80          HD21      LEU  80   9.156   0.249   8.851
  621   HD22  LEU  80          HD22      LEU  80   9.541  -0.761   7.432
  622   HD23  LEU  80          HD23      LEU  80  10.765  -0.464   8.684
  623    H    ASP  81           H        ASP  81  12.872  -1.157   8.767
  624    HA   ASP  81           HA       ASP  81  14.822   0.810   9.763
  625    HB2  ASP  81           HB2      ASP  81  12.564   1.835  10.130
  626    HB3  ASP  81           HB3      ASP  81  12.139   0.447  11.142
  627    H    GLY  82           H        GLY  82  14.035  -2.323   9.404
  628    HA2  GLY  82           HA2      GLY  82  15.256  -4.050  10.442
  629    HA3  GLY  82           HA3      GLY  82  15.298  -3.139  11.973
  630    H    ARG  83           H        ARG  83  12.222  -2.967  10.453
  631    HA   ARG  83           HA       ARG  83  11.144  -5.184  12.144
  632    HB2  ARG  83           HB2      ARG  83   9.100  -3.889  12.261
  633    HB3  ARG  83           HB3      ARG  83  10.445  -2.976  12.928
  634    HG2  ARG  83           HG2      ARG  83  10.517  -1.477  11.124
  635    HG3  ARG  83           HG3      ARG  83   9.625  -2.570  10.038
  636    HD2  ARG  83           HD2      ARG  83   8.221  -0.675  10.903
  637    HD3  ARG  83           HD3      ARG  83   7.597  -2.296  11.281
  638    HE   ARG  83           HE       ARG  83   9.258  -0.938  13.328
  639   HH11  ARG  83          HH11      ARG  83   6.029  -1.926  12.256
  640   HH12  ARG  83          HH12      ARG  83   5.350  -1.833  13.862
  641   HH21  ARG  83          HH21      ARG  83   8.337  -0.812  15.389
  642   HH22  ARG  83          HH22      ARG  83   6.639  -1.163  15.625
  643    H    GLU  84           H        GLU  84   8.588  -4.789  10.821
  644    HA   GLU  84           HA       GLU  84   9.173  -6.018   8.148
  645    HB2  GLU  84           HB2      GLU  84   7.123  -6.792  10.255
  646    HB3  GLU  84           HB3      GLU  84   7.048  -7.344   8.572
  647    HG2  GLU  84           HG2      GLU  84   9.324  -8.330   8.821
  648    HG3  GLU  84           HG3      GLU  84   9.332  -7.815  10.518
  649    H    LEU  85           H        LEU  85   7.356  -5.853   6.660
  650    HA   LEU  85           HA       LEU  85   5.519  -3.565   7.143
  651    HB2  LEU  85           HB2      LEU  85   7.372  -4.010   4.767
  652    HB3  LEU  85           HB3      LEU  85   6.004  -2.879   4.743
  653    HG   LEU  85           HG       LEU  85   8.373  -2.761   6.663
  654   HD11  LEU  85          HD11      LEU  85   9.016  -2.254   4.366
  655   HD12  LEU  85          HD12      LEU  85   7.655  -1.105   4.216
  656   HD13  LEU  85          HD13      LEU  85   8.997  -0.769   5.339
  657   HD21  LEU  85          HD21      LEU  85   7.451  -0.473   7.153
  658   HD22  LEU  85          HD22      LEU  85   6.018  -0.876   6.184
  659   HD23  LEU  85          HD23      LEU  85   6.378  -1.778   7.680
  660    H    ARG  86           H        ARG  86   3.628  -3.630   5.724
  661    HA   ARG  86           HA       ARG  86   3.071  -6.289   4.528
  662    HB2  ARG  86           HB2      ARG  86   1.731  -4.988   6.913
  663    HB3  ARG  86           HB3      ARG  86   0.779  -6.026   5.857
  664    HG2  ARG  86           HG2      ARG  86   3.307  -6.852   7.350
  665    HG3  ARG  86           HG3      ARG  86   1.635  -7.287   7.778
  666    HD2  ARG  86           HD2      ARG  86   1.375  -8.418   5.589
  667    HD3  ARG  86           HD3      ARG  86   3.069  -8.051   5.204
  668    HE   ARG  86           HE       ARG  86   2.726  -9.494   7.715
  669   HH11  ARG  86          HH11      ARG  86   3.133  -9.741   4.215
  670   HH12  ARG  86          HH12      ARG  86   3.769 -11.371   4.286
  671   HH21  ARG  86          HH21      ARG  86   3.576 -11.617   7.780
  672   HH22  ARG  86          HH22      ARG  86   4.033 -12.421   6.298
  673    H    VAL  87           H        VAL  87   1.598  -6.337   2.969
  674    HA   VAL  87           HA       VAL  87   0.028  -3.955   2.267
  675    HB   VAL  87           HB       VAL  87   2.198  -5.106   0.439
  676   HG11  VAL  87          HG11      VAL  87   0.159  -2.875   0.063
  677   HG12  VAL  87          HG12      VAL  87   1.455  -3.298  -1.085
  678   HG13  VAL  87          HG13      VAL  87   0.144  -4.448  -0.764
  679   HG21  VAL  87          HG21      VAL  87   3.276  -3.628   2.009
  680   HG22  VAL  87          HG22      VAL  87   2.988  -2.665   0.542
  681   HG23  VAL  87          HG23      VAL  87   1.915  -2.481   1.941
  682    H    GLN  88           H        GLN  88  -1.927  -4.749   1.610
  683    HA   GLN  88           HA       GLN  88  -2.184  -6.983  -0.180
  684    HB2  GLN  88           HB2      GLN  88  -3.349  -8.523   1.303
  685    HB3  GLN  88           HB3      GLN  88  -1.702  -8.283   1.867
  686    HG2  GLN  88           HG2      GLN  88  -4.131  -6.822   3.003
  687    HG3  GLN  88           HG3      GLN  88  -3.478  -8.313   3.671
  688   HE21  GLN  88          HE22      GLN  88  -3.584  -5.158   4.333
  689   HE22  GLN  88          HE21      GLN  88  -2.011  -4.934   5.070
  690    H    MET  89           H        MET  89  -4.518  -7.468  -0.623
  691    HA   MET  89           HA       MET  89  -6.002  -5.053  -0.880
  692    HB2  MET  89           HB2      MET  89  -6.801  -7.971  -1.186
  693    HB3  MET  89           HB3      MET  89  -7.843  -6.591  -1.594
  694    HG2  MET  89           HG2      MET  89  -6.776  -7.283  -3.623
  695    HG3  MET  89           HG3      MET  89  -6.084  -5.740  -3.125
  696    HE1  MET  89           HE1      MET  89  -4.634  -7.151  -5.378
  697    HE2  MET  89           HE2      MET  89  -4.066  -5.703  -4.513
  698    HE3  MET  89           HE3      MET  89  -2.946  -7.051  -4.800
  699    H    ALA  90           H        ALA  90  -7.979  -4.406   0.098
  700    HA   ALA  90           HA       ALA  90  -8.140  -4.777   2.917
  701    HB1  ALA  90           HB1      ALA  90 -10.210  -3.703   0.963
  702    HB2  ALA  90           HB2      ALA  90 -10.212  -3.453   2.722
  703    HB3  ALA  90           HB3      ALA  90  -8.915  -2.754   1.740
  704    H    ARG  91           H        ARG  91 -10.346  -5.378   3.956
  705    HA   ARG  91           HA       ARG  91 -11.495  -7.818   2.690
  706    HB2  ARG  91           HB2      ARG  91 -11.302  -9.030   4.747
  707    HB3  ARG  91           HB3      ARG  91  -9.682  -8.400   4.308
  708    HG2  ARG  91           HG2      ARG  91 -10.136  -6.465   5.889
  709    HG3  ARG  91           HG3      ARG  91 -11.607  -7.308   6.407
  710    HD2  ARG  91           HD2      ARG  91  -8.786  -8.438   6.589
  711    HD3  ARG  91           HD3      ARG  91  -9.677  -7.683   7.920
  712    HE   ARG  91           HE       ARG  91 -11.281  -9.760   6.818
  713   HH11  ARG  91          HH11      ARG  91  -8.315  -9.326   8.686
  714   HH12  ARG  91          HH12      ARG  91  -8.444 -10.883   9.478
  715   HH21  ARG  91          HH21      ARG  91 -11.448 -11.771   7.887
  716   HH22  ARG  91          HH22      ARG  91 -10.225 -12.252   9.039
  717    H    TYR  92           H        TYR  92 -12.004  -4.877   4.128
  718    HA   TYR  92           HA       TYR  92 -14.847  -5.557   4.714
  719    HB2  TYR  92           HB2      TYR  92 -13.064  -3.679   6.309
  720    HB3  TYR  92           HB3      TYR  92 -14.787  -3.931   6.572
  721    HD1  TYR  92           HD1      TYR  92 -15.279  -6.723   6.610
  722    HD2  TYR  92           HD2      TYR  92 -11.807  -4.610   8.010
  723    HE1  TYR  92           HE1      TYR  92 -14.803  -8.572   8.195
  724    HE2  TYR  92           HE2      TYR  92 -11.324  -6.445   9.604
  725    HH   TYR  92           HH       TYR  92 -13.413  -9.351   9.840
  726    H    GLY  93           H        GLY  93 -16.130  -3.388   4.949
  727    HA2  GLY  93           HA2      GLY  93 -15.410  -1.695   2.603
  728    HA3  GLY  93           HA3      GLY  93 -17.064  -2.082   3.124
  729    H    ARG  94           H        ARG  94 -15.040  -1.571   5.740
  730    HA   ARG  94           HA       ARG  94 -14.140   0.396   6.708
  731    HB2  ARG  94           HB2      ARG  94 -16.688   1.683   5.705
  732    HB3  ARG  94           HB3      ARG  94 -15.650   2.421   6.924
  733    HG2  ARG  94           HG2      ARG  94 -13.712   2.388   5.426
  734    HG3  ARG  94           HG3      ARG  94 -14.643   1.566   4.173
  735    HD2  ARG  94           HD2      ARG  94 -14.534   3.939   3.648
  736    HD3  ARG  94           HD3      ARG  94 -16.203   3.536   4.100
  737    HE   ARG  94           HE       ARG  94 -14.781   4.367   6.429
  738   HH11  ARG  94          HH11      ARG  94 -16.061   5.746   3.433
  739   HH12  ARG  94          HH12      ARG  94 -16.230   7.347   4.117
  740   HH21  ARG  94          HH21      ARG  94 -15.012   6.421   7.283
  741   HH22  ARG  94          HH22      ARG  94 -15.662   7.724   6.314
  742    HA   PRO  95           HA       PRO  95 -15.654  -0.835  10.585
  743    HB2  PRO  95           HB2      PRO  95 -15.813   2.078  11.299
  744    HB3  PRO  95           HB3      PRO  95 -15.053   0.742  12.216
  745    HG2  PRO  95           HG2      PRO  95 -13.547   2.503  10.747
  746    HG3  PRO  95           HG3      PRO  95 -13.131   0.778  10.814
  747    HD2  PRO  95           HD2      PRO  95 -14.429   2.246   8.572
  748    HD3  PRO  95           HD3      PRO  95 -13.354   0.823   8.554
  749    HA   PRO  96           HA       PRO  96 -20.071  -0.109  10.029
  750    HB2  PRO  96           HB2      PRO  96 -21.025  -2.030  11.670
  751    HB3  PRO  96           HB3      PRO  96 -20.160  -2.447  10.152
  752    HG2  PRO  96           HG2      PRO  96 -19.038  -2.341  12.973
  753    HG3  PRO  96           HG3      PRO  96 -18.874  -3.659  11.762
  754    HD2  PRO  96           HD2      PRO  96 -16.952  -1.719  12.115
  755    HD3  PRO  96           HD3      PRO  96 -17.299  -2.446  10.511
  756    H    ASP  97           H        ASP  97 -18.191   0.384  12.874
  757    HA   ASP  97           HA       ASP  97 -20.226   2.121  14.047
  758    HB2  ASP  97           HB2      ASP  97 -20.793  -0.207  14.819
  759    HB3  ASP  97           HB3      ASP  97 -19.203  -0.297  15.592
  760    H    SER  98           H        SER  98 -17.536   2.430  12.917
  761    HA   SER  98           HA       SER  98 -15.357   2.969  13.384
  762    HB2  SER  98           HB2      SER  98 -15.178   5.039  14.733
  763    HB3  SER  98           HB3      SER  98 -16.442   5.096  13.479
  764    HG   SER  98           HG       SER  98 -17.960   4.628  15.116
  765    H    HIS  99           H        HIS  99 -15.638   4.057  16.604
  766    HA   HIS  99           HA       HIS  99 -14.736   1.524  17.797
  767    HB2  HIS  99           HB2      HIS  99 -12.752   2.600  16.668
  768    HB3  HIS  99           HB3      HIS  99 -12.992   4.009  17.704
  769    HD2  HIS  99           HD2      HIS  99 -11.397   3.997  19.731
  770    HE1  HIS  99           HE1      HIS  99 -11.009  -0.186  20.369
  771    HE2  HIS  99           HE2      HIS  99 -10.278   2.124  21.170
  772    H    HIS 100           H        HIS 100 -16.780   3.961  17.970
  773    HA   HIS 100           HA       HIS 100 -16.799   4.113  20.910
  774    HB2  HIS 100           HB2      HIS 100 -16.880   6.625  20.812
  775    HB3  HIS 100           HB3      HIS 100 -15.316   5.941  20.354
  776    HD2  HIS 100           HD2      HIS 100 -18.433   7.615  18.758
  777    HE1  HIS 100           HE1      HIS 100 -15.306   7.770  15.882
  778    HE2  HIS 100           HE2      HIS 100 -17.686   8.501  16.409
  779    H    SER 101           H        SER 101 -18.733   5.502  21.612
  780    HA   SER 101           HA       SER 101 -20.954   5.648  19.698
  781    HB2  SER 101           HB2      SER 101 -20.971   3.273  20.430
  782    HB3  SER 101           HB3      SER 101 -21.038   3.805  22.122
  783    HG   SER 101           HG       SER 101 -23.117   3.352  21.248
  784    H5'    U 102           H5'        U 102  -7.649  -2.640  13.832
  785   H5''    U 102          H5''        U 102  -6.965  -2.398  15.457
  786    H4'    U 102           H4'        U 102  -6.151  -0.684  13.072
  787    H3'    U 102           H3'        U 102  -5.564  -3.427  13.300
  788    H2'    U 102           H2'        U 102  -4.346  -3.083  15.375
  789   HO2'    U 102          HO2'        U 102  -2.553  -2.729  13.187
  790    H1'    U 102           H1'        U 102  -3.408  -0.573  13.951
  791    H3     U 102           H3         U 102  -3.186  -0.599  19.268
  792    H5     U 102           H5         U 102   0.089   0.102  16.724
  793    H6     U 102           H6         U 102  -1.368  -0.476  14.833
  794   HO5'    U 102          HO5'        U 102  -8.412  -0.509  13.898
  795    H5'    C 103           H5'        C 103  -6.001  -0.730   9.429
  796   H5''    C 103          H5''        C 103  -6.550  -0.536  11.106
  797    H4'    C 103           H4'        C 103  -8.428  -0.046   9.742
  798    H3'    C 103           H3'        C 103  -8.572  -2.152  11.558
  799    H2'    C 103           H2'        C 103  -8.296  -3.884  10.002
  800   HO2'    C 103          HO2'        C 103 -10.417  -4.117  10.930
  801    H1'    C 103           H1'        C 103 -10.003  -2.420   7.986
  802    H41    C 103           H41        C 103  -7.266  -6.503   3.933
  803    H42    C 103           H42        C 103  -6.051  -6.956   5.117
  804    H5     C 103           H5         C 103  -5.910  -5.917   7.338
  805    H6     C 103           H6         C 103  -6.882  -4.285   8.790
  806    H5'    C 104           H5'        C 104  -9.470   2.591  11.534
  807   H5''    C 104          H5''        C 104 -11.218   2.741  11.806
  808    H4'    C 104           H4'        C 104 -10.158   4.518  10.312
  809    H3'    C 104           H3'        C 104 -12.364   2.829   9.140
  810    H2'    C 104           H2'        C 104 -12.230   4.161   7.221
  811   HO2'    C 104          HO2'        C 104 -12.069   6.230   8.257
  812    H1'    C 104           H1'        C 104  -9.495   4.385   7.213
  813    H41    C 104           H41        C 104 -11.663  -0.075   3.126
  814    H42    C 104           H42        C 104 -12.231  -1.077   4.441
  815    H5     C 104           H5         C 104 -12.020  -0.414   6.807
  816    H6     C 104           H6         C 104 -11.308   1.360   8.286
  817    H5'    A 105           H5'        A 105 -16.116   6.593  10.572
  818   H5''    A 105          H5''        A 105 -15.635   8.091   9.778
  819    H4'    A 105           H4'        A 105 -15.087   8.256  12.114
  820    H3'    A 105           H3'        A 105 -13.038   8.428  10.033
  821    H2'    A 105           H2'        A 105 -11.713   6.884  11.134
  822   HO2'    A 105          HO2'        A 105 -10.572   8.809  11.573
  823    H1'    A 105           H1'        A 105 -13.193   7.704  13.675
  824    H8     A 105           H8         A 105 -11.214   4.844  12.017
  825    H61    A 105           H61        A 105  -9.292   3.735  17.829
  826    H62    A 105           H62        A 105  -9.117   3.247  16.153
  827    H2     A 105           H2         A 105 -12.341   6.954  17.940
  828    H5'    G 106           H5'        G 106 -11.149  11.403  10.652
  829   H5''    G 106          H5''        G 106 -12.082  12.908  10.712
  830    H4'    G 106           H4'        G 106 -10.322  13.326   9.228
  831    H3'    G 106           H3'        G 106 -12.984  13.418   8.283
  832    H2'    G 106           H2'        G 106 -12.977  11.805   6.693
  833   HO2'    G 106          HO2'        G 106 -11.202  13.709   5.558
  834    H1'    G 106           H1'        G 106 -10.091  11.635   6.140
  835    H8     G 106           H8         G 106 -13.030   9.835   7.938
  836    H1     G 106           H1         G 106  -9.601   6.351   3.762
  837    H21    G 106           H21        G 106  -7.931   7.548   2.998
  838    H22    G 106           H22        G 106  -7.603   9.174   3.574
  839    H5'    U 107           H5'        U 107 -12.221  16.285   5.448
  840   H5''    U 107          H5''        U 107 -12.786  17.849   6.071
  841    H4'    U 107           H4'        U 107 -15.187  16.702   5.804
  842    H3'    U 107           H3'        U 107 -13.881  14.534   4.875
  843   HO3'    U 107          HO3'        U 107 -16.152  14.829   4.662
  844    H2'    U 107           H2'        U 107 -12.387  15.753   3.456
  845   HO2'    U 107          HO2'        U 107 -14.611  15.004   1.851
  846    H1'    U 107           H1'        U 107 -14.643  17.264   2.204
  847    H3     U 107           H3         U 107 -11.543  21.146   2.565
  848    H5     U 107           H5         U 107  -9.907  17.783   0.669
  849    H6     U 107           H6         U 107 -11.794  16.490   1.430
  Start of MODEL    6
    1    H    MET   1           H1       MET   1   1.781  14.006  -0.171
    2    HA   MET   1           HA       MET   1  -0.053  16.169   0.576
    3    HB2  MET   1           HB2      MET   1  -0.386  13.912  -1.435
    4    HB3  MET   1           HB3      MET   1  -1.651  15.052  -0.940
    5    HG2  MET   1           HG2      MET   1   0.970  15.763  -2.303
    6    HG3  MET   1           HG3      MET   1  -0.614  15.723  -3.066
    7    HE1  MET   1           HE1      MET   1  -0.213  18.120  -4.028
    8    HE2  MET   1           HE2      MET   1   0.259  19.533  -3.056
    9    HE3  MET   1           HE3      MET   1   1.388  18.171  -3.261
   10    H    SER   2           H        SER   2  -2.184  15.293   1.390
   11    HA   SER   2           HA       SER   2  -2.189  12.703   2.693
   12    HB2  SER   2           HB2      SER   2  -0.744  14.101   4.204
   13    HB3  SER   2           HB3      SER   2  -2.087  15.258   4.355
   14    HG   SER   2           HG       SER   2  -2.056  13.736   6.062
   15    H    TYR   3           H        TYR   3  -4.305  13.054   4.383
   16    HA   TYR   3           HA       TYR   3  -6.338  14.607   2.858
   17    HB2  TYR   3           HB2      TYR   3  -6.650  11.706   3.673
   18    HB3  TYR   3           HB3      TYR   3  -7.868  12.705   2.923
   19    HD1  TYR   3           HD2      TYR   3  -4.413  11.386   2.212
   20    HD2  TYR   3           HD1      TYR   3  -8.175  12.750   0.631
   21    HE1  TYR   3           HE2      TYR   3  -3.687  10.749  -0.058
   22    HE2  TYR   3           HE1      TYR   3  -7.458  12.098  -1.654
   23    HH   TYR   3           HH       TYR   3  -5.788  11.189  -2.931
   24    H    GLY   4           H        GLY   4  -8.437  14.585   3.940
   25    HA2  GLY   4           HA2      GLY   4  -8.573  13.804   6.725
   26    HA3  GLY   4           HA3      GLY   4  -8.667  15.575   6.447
   27    H    ARG   5           H        ARG   5  -9.820  13.475   3.932
   28    HA   ARG   5           HA       ARG   5 -12.636  13.492   4.770
   29    HB2  ARG   5           HB2      ARG   5 -11.581  15.027   2.359
   30    HB3  ARG   5           HB3      ARG   5 -13.291  14.616   2.622
   31    HG2  ARG   5           HG2      ARG   5 -13.258  15.880   4.759
   32    HG3  ARG   5           HG3      ARG   5 -11.547  16.284   4.470
   33    HD2  ARG   5           HD2      ARG   5 -12.938  18.172   3.869
   34    HD3  ARG   5           HD3      ARG   5 -12.139  17.512   2.449
   35    HE   ARG   5           HE       ARG   5 -14.181  16.876   1.549
   36   HH11  ARG   5          HH11      ARG   5 -14.631  17.831   4.927
   37   HH12  ARG   5          HH12      ARG   5 -16.376  17.780   4.828
   38   HH21  ARG   5          HH21      ARG   5 -16.465  16.830   1.451
   39   HH22  ARG   5          HH22      ARG   5 -17.405  17.236   2.864
   40    HA   PRO   6           HA       PRO   6 -11.856   9.703   2.597
   41    HB2  PRO   6           HB2      PRO   6 -14.319   8.553   2.725
   42    HB3  PRO   6           HB3      PRO   6 -13.300   8.803   4.179
   43    HG2  PRO   6           HG2      PRO   6 -15.565  10.556   3.182
   44    HG3  PRO   6           HG3      PRO   6 -15.291   9.945   4.840
   45    HD2  PRO   6           HD2      PRO   6 -14.513  12.446   4.050
   46    HD3  PRO   6           HD3      PRO   6 -13.562  11.485   5.218
   47    HA   PRO   7           HA       PRO   7 -13.492  10.688  -1.555
   48    HB2  PRO   7           HB2      PRO   7 -11.593   9.416  -2.990
   49    HB3  PRO   7           HB3      PRO   7 -11.192  10.929  -2.106
   50    HG2  PRO   7           HG2      PRO   7 -10.736   8.068  -1.216
   51    HG3  PRO   7           HG3      PRO   7  -9.552   9.423  -1.238
   52    HD2  PRO   7           HD2      PRO   7 -10.995   8.707   1.002
   53    HD3  PRO   7           HD3      PRO   7 -10.520  10.401   0.666
   54    HA   PRO   8           HA       PRO   8 -15.435   6.697  -2.362
   55    HB2  PRO   8           HB2      PRO   8 -15.618   6.604  -5.085
   56    HB3  PRO   8           HB3      PRO   8 -16.596   7.742  -4.093
   57    HG2  PRO   8           HG2      PRO   8 -14.002   8.290  -5.552
   58    HG3  PRO   8           HG3      PRO   8 -15.507   9.263  -5.578
   59    HD2  PRO   8           HD2      PRO   8 -13.425   9.904  -3.948
   60    HD3  PRO   8           HD3      PRO   8 -15.109  10.096  -3.392
   61    H    ASP   9           H        ASP   9 -14.948   4.535  -3.149
   62    HA   ASP   9           HA       ASP   9 -12.322   4.066  -4.366
   63    HB2  ASP   9           HB2      ASP   9 -11.554   2.660  -2.458
   64    HB3  ASP   9           HB3      ASP   9 -11.657   4.387  -2.082
   65    H    VAL  10           H        VAL  10 -15.435   3.384  -4.437
   66    HA   VAL  10           HA       VAL  10 -14.993   0.552  -5.180
   67    HB   VAL  10           HB       VAL  10 -15.662   0.658  -2.802
   68   HG11  VAL  10          HG11      VAL  10 -18.266   1.832  -3.864
   69   HG12  VAL  10          HG12      VAL  10 -17.951   1.330  -2.187
   70   HG13  VAL  10          HG13      VAL  10 -17.059   2.697  -2.881
   71   HG21  VAL  10          HG21      VAL  10 -16.276  -1.305  -4.213
   72   HG22  VAL  10          HG22      VAL  10 -17.401  -1.017  -2.865
   73   HG23  VAL  10          HG23      VAL  10 -17.860  -0.560  -4.514
   74    H    GLU  11           H        GLU  11 -16.226   3.558  -6.047
   75    HA   GLU  11           HA       GLU  11 -18.665   2.735  -7.341
   76    HB2  GLU  11           HB2      GLU  11 -16.857   5.125  -7.873
   77    HB3  GLU  11           HB3      GLU  11 -18.528   4.922  -8.445
   78    HG2  GLU  11           HG2      GLU  11 -19.262   4.723  -6.043
   79    HG3  GLU  11           HG3      GLU  11 -17.608   5.108  -5.550
   80    H    GLY  12           H        GLY  12 -15.420   2.071  -8.070
   81    HA2  GLY  12           HA2      GLY  12 -15.870   0.607 -10.388
   82    HA3  GLY  12           HA3      GLY  12 -15.508   2.249 -10.961
   83    H    MET  13           H        MET  13 -14.110   0.844  -7.994
   84    HA   MET  13           HA       MET  13 -11.436   0.697  -9.301
   85    HB2  MET  13           HB2      MET  13 -12.124   2.281  -6.791
   86    HB3  MET  13           HB3      MET  13 -10.505   1.986  -7.411
   87    HG2  MET  13           HG2      MET  13 -10.974   4.130  -8.152
   88    HG3  MET  13           HG3      MET  13 -11.237   3.121  -9.572
   89    HE1  MET  13           HE1      MET  13 -13.687   3.667  -6.456
   90    HE2  MET  13           HE2      MET  13 -12.801   5.196  -6.671
   91    HE3  MET  13           HE3      MET  13 -14.546   5.122  -7.003
   92    H    THR  14           H        THR  14  -9.832   0.099  -7.333
   93    HA   THR  14           HA       THR  14 -11.067  -2.091  -5.733
   94    HB   THR  14           HB       THR  14  -9.770  -2.968  -7.648
   95   HG21  THR  14          HG21      THR  14  -7.292  -2.826  -7.590
   96   HG22  THR  14          HG22      THR  14  -8.039  -1.257  -7.909
   97   HG23  THR  14          HG23      THR  14  -7.401  -1.620  -6.286
   98    H    SER  15           H        SER  15  -8.969  -2.703  -4.073
   99    HA   SER  15           HA       SER  15  -8.010  -0.168  -2.875
  100    HB2  SER  15           HB2      SER  15  -9.041  -0.794  -0.682
  101    HB3  SER  15           HB3      SER  15 -10.209  -0.316  -1.932
  102    HG   SER  15           HG       SER  15 -10.882  -2.197  -0.882
  103    H    LEU  16           H        LEU  16  -6.018  -0.440  -2.240
  104    HA   LEU  16           HA       LEU  16  -5.169  -3.131  -1.217
  105    HB2  LEU  16           HB2      LEU  16  -4.164  -2.612  -3.438
  106    HB3  LEU  16           HB3      LEU  16  -3.540  -1.094  -2.760
  107    HG   LEU  16           HG       LEU  16  -2.397  -2.611  -0.953
  108   HD11  LEU  16          HD11      LEU  16  -2.780  -4.607  -3.227
  109   HD12  LEU  16          HD12      LEU  16  -1.867  -4.879  -1.729
  110   HD13  LEU  16          HD13      LEU  16  -3.634  -4.685  -1.670
  111   HD21  LEU  16          HD21      LEU  16  -1.485  -2.641  -3.841
  112   HD22  LEU  16          HD22      LEU  16  -1.183  -1.334  -2.666
  113   HD23  LEU  16          HD23      LEU  16  -0.450  -2.940  -2.434
  114    H    LYS  17           H        LYS  17  -4.962  -2.967   0.916
  115    HA   LYS  17           HA       LYS  17  -4.318  -0.470   2.264
  116    HB2  LYS  17           HB2      LYS  17  -5.810  -1.811   3.381
  117    HB3  LYS  17           HB3      LYS  17  -4.889  -3.312   3.105
  118    HG2  LYS  17           HG2      LYS  17  -3.223  -2.623   4.739
  119    HG3  LYS  17           HG3      LYS  17  -3.996  -1.011   4.894
  120    HD2  LYS  17           HD2      LYS  17  -6.050  -2.053   5.736
  121    HD3  LYS  17           HD3      LYS  17  -5.355  -3.664   5.474
  122    HE2  LYS  17           HE2      LYS  17  -5.242  -3.055   7.828
  123    HE3  LYS  17           HE3      LYS  17  -3.616  -3.219   7.157
  124    HZ1  LYS  17           HZ1      LYS  17  -3.488  -0.835   7.018
  125    HZ2  LYS  17           HZ2      LYS  17  -5.042  -0.672   7.546
  126    HZ3  LYS  17           HZ3      LYS  17  -3.883  -1.287   8.545
  127    H    VAL  18           H        VAL  18  -2.475   0.157   3.144
  128    HA   VAL  18           HA       VAL  18  -0.126  -1.715   3.200
  129    HB   VAL  18           HB       VAL  18  -0.276   1.243   2.593
  130   HG11  VAL  18          HG11      VAL  18   1.607   0.817   4.124
  131   HG12  VAL  18          HG12      VAL  18   2.218  -0.440   3.024
  132   HG13  VAL  18          HG13      VAL  18   2.153   1.273   2.514
  133   HG21  VAL  18          HG21      VAL  18   0.828   0.683   0.486
  134   HG22  VAL  18          HG22      VAL  18   0.954  -1.018   0.953
  135   HG23  VAL  18          HG23      VAL  18  -0.644  -0.301   0.646
  136    H    ASP  19           H        ASP  19   0.876  -1.834   5.160
  137    HA   ASP  19           HA       ASP  19   0.341   0.084   7.323
  138    HB2  ASP  19           HB2      ASP  19  -0.681  -1.585   8.766
  139    HB3  ASP  19           HB3      ASP  19  -1.627  -1.444   7.278
  140    H    ASN  20           H        ASN  20   1.136  -1.244   9.456
  141    HA   ASN  20           HA       ASN  20   2.925  -1.728  10.681
  142    HB2  ASN  20           HB2      ASN  20   2.651  -3.895   9.263
  143    HB3  ASN  20           HB3      ASN  20   4.119  -3.363   8.441
  144   HD21  ASN  20          HD22      ASN  20   6.064  -2.993   9.802
  145   HD22  ASN  20          HD21      ASN  20   6.223  -3.869  11.317
  146    H    LEU  21           H        LEU  21   3.720   0.344  10.861
  147    HA   LEU  21           HA       LEU  21   6.310   0.752   9.478
  148    HB2  LEU  21           HB2      LEU  21   5.682   3.209   9.220
  149    HB3  LEU  21           HB3      LEU  21   4.940   2.044   8.128
  150    HG   LEU  21           HG       LEU  21   2.872   2.055   9.538
  151   HD11  LEU  21          HD11      LEU  21   4.202   4.450  10.884
  152   HD12  LEU  21          HD12      LEU  21   2.503   3.969  11.056
  153   HD13  LEU  21          HD13      LEU  21   3.776   2.918  11.684
  154   HD21  LEU  21          HD21      LEU  21   2.124   4.249   8.732
  155   HD22  LEU  21          HD22      LEU  21   3.817   4.700   8.407
  156   HD23  LEU  21          HD23      LEU  21   3.067   3.363   7.508
  157    H    THR  22           H        THR  22   7.553   2.702  10.515
  158    HA   THR  22           HA       THR  22   7.859   2.122  13.300
  159    HB   THR  22           HB       THR  22   9.401   4.051  13.284
  160   HG21  THR  22          HG21      THR  22   9.609   2.331  10.781
  161   HG22  THR  22          HG22      THR  22  10.929   3.279  11.505
  162   HG23  THR  22          HG23      THR  22  10.227   1.903  12.394
  163    H    TYR  23           H        TYR  23   7.745   3.735  15.054
  164    HA   TYR  23           HA       TYR  23   5.210   5.095  15.168
  165    HB2  TYR  23           HB2      TYR  23   5.999   5.799  17.392
  166    HB3  TYR  23           HB3      TYR  23   6.239   4.072  17.133
  167    HD1  TYR  23           HD2      TYR  23   8.504   3.135  16.821
  168    HD2  TYR  23           HD1      TYR  23   7.870   7.303  17.666
  169    HE1  TYR  23           HE2      TYR  23  10.909   3.385  17.387
  170    HE2  TYR  23           HE1      TYR  23  10.274   7.559  18.235
  171    HH   TYR  23           HH       TYR  23  12.308   6.510  18.430
  172    H    ARG  24           H        ARG  24   7.548   5.942  13.194
  173    HA   ARG  24           HA       ARG  24   7.381   8.860  13.796
  174    HB2  ARG  24           HB2      ARG  24   9.756   7.256  12.768
  175    HB3  ARG  24           HB3      ARG  24   9.708   9.025  12.883
  176    HG2  ARG  24           HG2      ARG  24   9.514   7.061  15.197
  177    HG3  ARG  24           HG3      ARG  24  10.933   8.029  14.765
  178    HD2  ARG  24           HD2      ARG  24   8.225   9.139  15.595
  179    HD3  ARG  24           HD3      ARG  24   9.657   9.037  16.631
  180    HE   ARG  24           HE       ARG  24  10.534  10.446  14.418
  181   HH11  ARG  24          HH11      ARG  24   7.947  10.860  16.789
  182   HH12  ARG  24          HH12      ARG  24   7.965  12.605  16.677
  183   HH21  ARG  24          HH21      ARG  24  10.545  12.726  14.298
  184   HH22  ARG  24          HH22      ARG  24   9.445  13.659  15.284
  185    H    THR  25           H        THR  25   7.047   6.295  11.427
  186    HA   THR  25           HA       THR  25   7.215   7.946   9.092
  187    HB   THR  25           HB       THR  25   5.552   5.438   9.565
  188   HG21  THR  25          HG21      THR  25   5.906   5.134   7.103
  189   HG22  THR  25          HG22      THR  25   4.907   6.553   7.463
  190   HG23  THR  25          HG23      THR  25   6.621   6.757   7.025
  191    H    SER  26           H        SER  26   5.296   8.625   7.729
  192    HA   SER  26           HA       SER  26   2.940   9.374   9.355
  193    HB2  SER  26           HB2      SER  26   3.264  11.693   9.038
  194    HB3  SER  26           HB3      SER  26   4.901  11.116   9.362
  195    HG   SER  26           HG       SER  26   5.232  11.013   7.112
  196    HA   PRO  27           HA       PRO  27   0.738   8.614   5.686
  197    HB2  PRO  27           HB2      PRO  27  -1.129  10.617   5.419
  198    HB3  PRO  27           HB3      PRO  27  -1.195   9.374   6.709
  199    HG2  PRO  27           HG2      PRO  27  -0.080  12.183   6.869
  200    HG3  PRO  27           HG3      PRO  27  -1.182  11.365   8.025
  201    HD2  PRO  27           HD2      PRO  27   1.493  11.522   8.442
  202    HD3  PRO  27           HD3      PRO  27   0.573  10.059   8.906
  203    H    ASP  28           H        ASP  28   2.428  11.701   5.854
  204    HA   ASP  28           HA       ASP  28   2.125  12.273   3.002
  205    HB2  ASP  28           HB2      ASP  28   2.551  14.057   4.683
  206    HB3  ASP  28           HB3      ASP  28   4.125  13.314   5.053
  207    H    THR  29           H        THR  29   4.361  10.554   5.164
  208    HA   THR  29           HA       THR  29   6.509  10.304   3.284
  209    HB   THR  29           HB       THR  29   5.978   8.102   5.234
  210   HG21  THR  29          HG21      THR  29   8.083   8.265   3.942
  211   HG22  THR  29          HG22      THR  29   8.376   9.877   4.643
  212   HG23  THR  29          HG23      THR  29   8.379   8.438   5.694
  213    H    LEU  30           H        LEU  30   3.818   8.089   4.266
  214    HA   LEU  30           HA       LEU  30   4.524   6.027   2.447
  215    HB2  LEU  30           HB2      LEU  30   1.742   6.740   3.453
  216    HB3  LEU  30           HB3      LEU  30   2.295   5.176   2.820
  217    HG   LEU  30           HG       LEU  30   3.405   6.482   5.328
  218   HD11  LEU  30          HD11      LEU  30   0.988   5.873   5.448
  219   HD12  LEU  30          HD12      LEU  30   1.419   4.202   5.018
  220   HD13  LEU  30          HD13      LEU  30   2.007   4.920   6.541
  221   HD21  LEU  30          HD21      LEU  30   4.984   4.924   4.212
  222   HD22  LEU  30          HD22      LEU  30   4.352   4.215   5.707
  223   HD23  LEU  30          HD23      LEU  30   3.706   3.693   4.131
  224    H    ARG  31           H        ARG  31   2.556   8.977   2.081
  225    HA   ARG  31           HA       ARG  31   1.257   8.247  -0.324
  226    HB2  ARG  31           HB2      ARG  31   0.522  10.203   0.892
  227    HB3  ARG  31           HB3      ARG  31   2.129  10.942   0.803
  228    HG2  ARG  31           HG2      ARG  31   0.571  11.986  -0.797
  229    HG3  ARG  31           HG3      ARG  31   1.933  11.208  -1.614
  230    HD2  ARG  31           HD2      ARG  31   0.456   9.176  -1.950
  231    HD3  ARG  31           HD3      ARG  31  -0.908  10.146  -1.365
  232    HE   ARG  31           HE       ARG  31   0.680  10.534  -3.863
  233   HH11  ARG  31          HH11      ARG  31  -2.162  11.426  -1.934
  234   HH12  ARG  31          HH12      ARG  31  -2.888  12.325  -3.240
  235   HH21  ARG  31          HH21      ARG  31  -0.263  11.706  -5.497
  236   HH22  ARG  31          HH22      ARG  31  -1.817  12.479  -5.269
  237    H    ARG  32           H        ARG  32   4.468   9.685   0.280
  238    HA   ARG  32           HA       ARG  32   5.031   9.914  -2.602
  239    HB2  ARG  32           HB2      ARG  32   5.725  11.632  -0.985
  240    HB3  ARG  32           HB3      ARG  32   6.613  10.425  -0.043
  241    HG2  ARG  32           HG2      ARG  32   8.138  10.060  -1.976
  242    HG3  ARG  32           HG3      ARG  32   7.283  11.340  -2.870
  243    HD2  ARG  32           HD2      ARG  32   8.675  11.655  -0.176
  244    HD3  ARG  32           HD3      ARG  32   9.348  12.162  -1.733
  245    HE   ARG  32           HE       ARG  32   7.748  13.912  -1.876
  246   HH11  ARG  32          HH11      ARG  32   7.485  12.126   1.184
  247   HH12  ARG  32          HH12      ARG  32   6.515  13.373   1.934
  248   HH21  ARG  32          HH21      ARG  32   6.523  15.524  -0.812
  249   HH22  ARG  32          HH22      ARG  32   6.008  15.265   0.843
  250    H    VAL  33           H        VAL  33   6.028   7.915   0.156
  251    HA   VAL  33           HA       VAL  33   8.096   6.398  -1.051
  252    HB   VAL  33           HB       VAL  33   6.043   5.872   1.117
  253   HG11  VAL  33          HG11      VAL  33   8.357   4.053   0.399
  254   HG12  VAL  33          HG12      VAL  33   7.309   3.929   1.842
  255   HG13  VAL  33          HG13      VAL  33   6.619   3.688   0.232
  256   HG21  VAL  33          HG21      VAL  33   7.910   7.565   1.456
  257   HG22  VAL  33          HG22      VAL  33   7.867   6.224   2.630
  258   HG23  VAL  33          HG23      VAL  33   9.063   6.228   1.303
  259    H    PHE  34           H        PHE  34   4.555   6.129  -1.261
  260    HA   PHE  34           HA       PHE  34   4.856   3.559  -2.731
  261    HB2  PHE  34           HB2      PHE  34   2.657   4.839  -1.116
  262    HB3  PHE  34           HB3      PHE  34   2.308   3.570  -2.281
  263    HD1  PHE  34           HD2      PHE  34   4.238   4.305   0.822
  264    HD2  PHE  34           HD1      PHE  34   2.754   1.283  -1.849
  265    HE1  PHE  34           HE2      PHE  34   4.891   2.543   2.445
  266    HE2  PHE  34           HE1      PHE  34   3.380  -0.470  -0.222
  267    HZ   PHE  34           HZ       PHE  34   4.463   0.164   1.931
  268    H    GLU  35           H        GLU  35   4.290   6.888  -3.236
  269    HA   GLU  35           HA       GLU  35   2.421   6.644  -5.422
  270    HB2  GLU  35           HB2      GLU  35   2.558   8.745  -4.367
  271    HB3  GLU  35           HB3      GLU  35   4.320   8.870  -4.628
  272    HG2  GLU  35           HG2      GLU  35   3.985   9.206  -6.976
  273    HG3  GLU  35           HG3      GLU  35   2.271   8.741  -6.867
  274    H    LYS  36           H        LYS  36   5.854   6.053  -5.172
  275    HA   LYS  36           HA       LYS  36   6.484   6.470  -7.943
  276    HB2  LYS  36           HB2      LYS  36   8.582   5.423  -7.405
  277    HB3  LYS  36           HB3      LYS  36   8.078   6.448  -6.037
  278    HG2  LYS  36           HG2      LYS  36   7.247   4.442  -4.847
  279    HG3  LYS  36           HG3      LYS  36   7.753   3.422  -6.218
  280    HD2  LYS  36           HD2      LYS  36   9.422   3.311  -4.452
  281    HD3  LYS  36           HD3      LYS  36  10.104   4.133  -5.869
  282    HE2  LYS  36           HE2      LYS  36   9.688   6.321  -4.797
  283    HE3  LYS  36           HE3      LYS  36   8.940   5.508  -3.409
  284    HZ1  LYS  36           HZ1      LYS  36  11.233   6.073  -2.981
  285    HZ2  LYS  36           HZ2      LYS  36  11.054   4.440  -2.988
  286    HZ3  LYS  36           HZ3      LYS  36  11.736   5.204  -4.278
  287    H    TYR  37           H        TYR  37   4.851   3.989  -6.239
  288    HA   TYR  37           HA       TYR  37   5.307   1.873  -8.235
  289    HB2  TYR  37           HB2      TYR  37   3.443   2.070  -5.836
  290    HB3  TYR  37           HB3      TYR  37   3.679   0.629  -6.826
  291    HD1  TYR  37           HD2      TYR  37   5.457   3.019  -4.580
  292    HD2  TYR  37           HD1      TYR  37   5.410  -0.869  -6.408
  293    HE1  TYR  37           HE2      TYR  37   7.388   2.363  -3.178
  294    HE2  TYR  37           HE1      TYR  37   7.356  -1.544  -5.016
  295    HH   TYR  37           HH       TYR  37   8.926  -0.870  -3.485
  296    H    GLY  38           H        GLY  38   3.167   4.574  -7.788
  297    HA2  GLY  38           HA2      GLY  38   1.760   4.816  -9.942
  298    HA3  GLY  38           HA3      GLY  38   0.964   3.349  -9.329
  299    H    ARG  39           H        ARG  39  -0.844   5.038  -9.412
  300    HA   ARG  39           HA       ARG  39  -0.942   7.070  -7.373
  301    HB2  ARG  39           HB2      ARG  39  -3.363   7.152  -7.883
  302    HB3  ARG  39           HB3      ARG  39  -2.316   7.264  -9.308
  303    HG2  ARG  39           HG2      ARG  39  -2.747   4.808  -9.727
  304    HG3  ARG  39           HG3      ARG  39  -3.961   4.858  -8.423
  305    HD2  ARG  39           HD2      ARG  39  -5.243   6.545  -9.600
  306    HD3  ARG  39           HD3      ARG  39  -3.972   6.721 -10.827
  307    HE   ARG  39           HE       ARG  39  -4.647   4.054 -10.976
  308   HH11  ARG  39          HH11      ARG  39  -6.459   7.083 -11.156
  309   HH12  ARG  39          HH12      ARG  39  -7.633   6.458 -12.288
  310   HH21  ARG  39          HH21      ARG  39  -6.194   3.261 -12.496
  311   HH22  ARG  39          HH22      ARG  39  -7.499   4.296 -13.012
  312    H    VAL  40           H        VAL  40  -0.817   6.671  -5.271
  313    HA   VAL  40           HA       VAL  40  -1.552   4.184  -4.057
  314    HB   VAL  40           HB       VAL  40  -1.297   5.287  -1.933
  315   HG11  VAL  40          HG11      VAL  40   0.797   6.341  -3.862
  316   HG12  VAL  40          HG12      VAL  40   0.970   6.072  -2.108
  317   HG13  VAL  40          HG13      VAL  40   0.737   4.688  -3.199
  318   HG21  VAL  40          HG21      VAL  40  -1.092   7.921  -3.447
  319   HG22  VAL  40          HG22      VAL  40  -2.480   7.421  -2.464
  320   HG23  VAL  40          HG23      VAL  40  -0.911   7.663  -1.687
  321    H    GLY  41           H        GLY  41  -3.477   6.606  -5.353
  322    HA2  GLY  41           HA2      GLY  41  -5.723   6.794  -5.561
  323    HA3  GLY  41           HA3      GLY  41  -5.897   5.308  -4.609
  324    H    ASP  42           H        ASP  42  -5.254   5.733  -2.145
  325    HA   ASP  42           HA       ASP  42  -6.089   8.367  -1.162
  326    HB2  ASP  42           HB2      ASP  42  -8.227   7.219  -1.576
  327    HB3  ASP  42           HB3      ASP  42  -7.684   5.824  -0.641
  328    H    VAL  43           H        VAL  43  -6.077   8.269   1.342
  329    HA   VAL  43           HA       VAL  43  -4.008   6.412   2.379
  330    HB   VAL  43           HB       VAL  43  -3.742   9.328   1.780
  331   HG11  VAL  43          HG11      VAL  43  -2.497   8.090   4.266
  332   HG12  VAL  43          HG12      VAL  43  -2.028   9.646   3.549
  333   HG13  VAL  43          HG13      VAL  43  -3.655   9.443   4.209
  334   HG21  VAL  43          HG21      VAL  43  -1.691   7.098   2.014
  335   HG22  VAL  43          HG22      VAL  43  -2.487   7.627   0.505
  336   HG23  VAL  43          HG23      VAL  43  -1.407   8.725   1.373
  337    H    TYR  44           H        TYR  44  -4.325   5.939   4.492
  338    HA   TYR  44           HA       TYR  44  -5.844   7.788   6.202
  339    HB2  TYR  44           HB2      TYR  44  -7.573   6.404   5.067
  340    HB3  TYR  44           HB3      TYR  44  -6.845   4.968   5.802
  341    HD1  TYR  44           HD2      TYR  44  -7.948   8.443   6.745
  342    HD2  TYR  44           HD1      TYR  44  -7.759   4.289   7.854
  343    HE1  TYR  44           HE2      TYR  44  -9.072   8.971   8.895
  344    HE2  TYR  44           HE1      TYR  44  -8.925   4.804   9.984
  345    HH   TYR  44           HH       TYR  44  -9.772   6.448  11.326
  346    H    ILE  45           H        ILE  45  -5.832   7.108   8.455
  347    HA   ILE  45           HA       ILE  45  -3.925   4.997   9.254
  348    HB   ILE  45           HB       ILE  45  -3.676   7.932  10.010
  349   HG12  ILE  45          HG12      ILE  45  -1.715   5.898   8.853
  350   HG13  ILE  45          HG13      ILE  45  -2.501   7.208   7.944
  351   HG21  ILE  45          HG21      ILE  45  -1.977   7.195  11.658
  352   HG22  ILE  45          HG22      ILE  45  -3.552   6.530  12.055
  353   HG23  ILE  45          HG23      ILE  45  -2.340   5.496  11.273
  354   HD11  ILE  45          HD11      ILE  45  -0.262   7.884   8.503
  355   HD12  ILE  45          HD12      ILE  45  -1.390   8.858   9.476
  356   HD13  ILE  45          HD13      ILE  45  -0.498   7.502  10.215
  357    HA   PRO  46           HA       PRO  46  -7.798   4.589  11.629
  358    HB2  PRO  46           HB2      PRO  46  -6.237   2.079  12.244
  359    HB3  PRO  46           HB3      PRO  46  -7.994   2.268  11.943
  360    HG2  PRO  46           HG2      PRO  46  -6.429   1.377   9.943
  361    HG3  PRO  46           HG3      PRO  46  -7.588   2.704   9.603
  362    HD2  PRO  46           HD2      PRO  46  -4.640   2.968  10.266
  363    HD3  PRO  46           HD3      PRO  46  -5.546   3.684   8.888
  364    H    ARG  47           H        ARG  47  -5.143   5.879  12.699
  365    HA   ARG  47           HA       ARG  47  -4.615   5.160  15.336
  366    HB2  ARG  47           HB2      ARG  47  -3.490   6.963  14.115
  367    HB3  ARG  47           HB3      ARG  47  -4.967   7.937  14.137
  368    HG2  ARG  47           HG2      ARG  47  -4.868   8.106  16.574
  369    HG3  ARG  47           HG3      ARG  47  -3.503   6.969  16.627
  370    HD2  ARG  47           HD2      ARG  47  -2.640   9.219  16.829
  371    HD3  ARG  47           HD3      ARG  47  -2.162   8.548  15.256
  372    HE   ARG  47           HE       ARG  47  -4.583   9.913  14.843
  373   HH11  ARG  47          HH11      ARG  47  -1.289  10.716  15.858
  374   HH12  ARG  47          HH12      ARG  47  -1.382  12.353  15.246
  375   HH21  ARG  47          HH21      ARG  47  -4.668  12.067  14.074
  376   HH22  ARG  47          HH22      ARG  47  -3.273  13.104  14.237
  377    H    ASP  48           H        ASP  48  -5.876   4.912  17.113
  378    HA   ASP  48           HA       ASP  48  -8.632   4.915  16.936
  379    HB2  ASP  48           HB2      ASP  48  -7.291   3.721  18.623
  380    HB3  ASP  48           HB3      ASP  48  -6.970   5.255  19.457
  381    H    ARG  49           H        ARG  49 -10.265   6.255  17.238
  382    HA   ARG  49           HA       ARG  49  -9.789   9.008  16.765
  383    HB2  ARG  49           HB2      ARG  49 -11.621   7.498  15.917
  384    HB3  ARG  49           HB3      ARG  49 -12.387   7.599  17.508
  385    HG2  ARG  49           HG2      ARG  49 -12.727  10.006  17.226
  386    HG3  ARG  49           HG3      ARG  49 -11.740   9.997  15.739
  387    HD2  ARG  49           HD2      ARG  49 -13.363   8.444  14.689
  388    HD3  ARG  49           HD3      ARG  49 -14.363   8.490  16.141
  389    HE   ARG  49           HE       ARG  49 -13.854  10.751  14.251
  390   HH11  ARG  49          HH11      ARG  49 -15.777   9.397  16.915
  391   HH12  ARG  49          HH12      ARG  49 -16.999  10.636  16.787
  392   HH21  ARG  49          HH21      ARG  49 -15.457  12.322  14.130
  393   HH22  ARG  49          HH22      ARG  49 -16.814  12.299  15.228
  394    H    TYR  50           H        TYR  50  -9.633   7.456  19.762
  395    HA   TYR  50           HA       TYR  50 -10.223  10.022  21.140
  396    HB2  TYR  50           HB2      TYR  50 -11.236   7.428  22.274
  397    HB3  TYR  50           HB3      TYR  50 -11.692   9.071  22.717
  398    HD1  TYR  50           HD2      TYR  50 -13.044  10.436  20.945
  399    HD2  TYR  50           HD1      TYR  50 -12.479   6.176  20.790
  400    HE1  TYR  50           HE2      TYR  50 -14.996  10.239  19.420
  401    HE2  TYR  50           HE1      TYR  50 -14.432   5.962  19.286
  402    HH   TYR  50           HH       TYR  50 -16.075   7.069  18.141
  403    H    THR  51           H        THR  51  -8.246   7.211  20.813
  404    HA   THR  51           HA       THR  51  -6.847   7.929  23.341
  405    HB   THR  51           HB       THR  51  -6.569   5.590  23.901
  406   HG21  THR  51          HG21      THR  51  -8.754   6.646  24.579
  407   HG22  THR  51          HG22      THR  51  -9.494   5.976  23.101
  408   HG23  THR  51          HG23      THR  51  -8.856   4.889  24.344
  409    H    LYS  52           H        LYS  52  -6.686   7.587  20.040
  410    HA   LYS  52           HA       LYS  52  -5.130   7.267  18.494
  411    HB2  LYS  52           HB2      LYS  52  -3.439   8.656  20.603
  412    HB3  LYS  52           HB3      LYS  52  -3.032   8.563  18.879
  413    HG2  LYS  52           HG2      LYS  52  -5.172   9.704  18.312
  414    HG3  LYS  52           HG3      LYS  52  -5.526   9.877  20.039
  415    HD2  LYS  52           HD2      LYS  52  -3.103  11.044  18.606
  416    HD3  LYS  52           HD3      LYS  52  -4.554  11.940  19.091
  417    HE2  LYS  52           HE2      LYS  52  -4.126  11.361  21.460
  418    HE3  LYS  52           HE3      LYS  52  -2.652  10.501  20.985
  419    HZ1  LYS  52           HZ1      LYS  52  -2.181  12.729  21.719
  420    HZ2  LYS  52           HZ2      LYS  52  -1.795  12.566  20.125
  421    HZ3  LYS  52           HZ3      LYS  52  -3.163  13.370  20.567
  422    H    GLU  53           H        GLU  53  -5.229   4.996  20.546
  423    HA   GLU  53           HA       GLU  53  -2.546   4.065  20.905
  424    HB2  GLU  53           HB2      GLU  53  -3.588   2.063  21.791
  425    HB3  GLU  53           HB3      GLU  53  -4.414   3.502  22.395
  426    HG2  GLU  53           HG2      GLU  53  -6.188   3.199  20.691
  427    HG3  GLU  53           HG3      GLU  53  -5.372   1.750  20.088
  428    H    SER  54           H        SER  54  -3.614   4.515  17.969
  429    HA   SER  54           HA       SER  54  -2.633   1.900  16.949
  430    HB2  SER  54           HB2      SER  54  -5.124   3.368  15.998
  431    HB3  SER  54           HB3      SER  54  -4.420   1.938  15.221
  432    HG   SER  54           HG       SER  54  -6.099   1.404  16.683
  433    H    ARG  55           H        ARG  55  -1.667   4.845  17.239
  434    HA   ARG  55           HA       ARG  55  -1.308   5.926  14.628
  435    HB2  ARG  55           HB2      ARG  55  -1.083   7.148  16.734
  436    HB3  ARG  55           HB3      ARG  55   0.315   6.178  17.199
  437    HG2  ARG  55           HG2      ARG  55   0.474   7.621  14.564
  438    HG3  ARG  55           HG3      ARG  55   0.494   8.611  16.034
  439    HD2  ARG  55           HD2      ARG  55   2.368   7.330  16.941
  440    HD3  ARG  55           HD3      ARG  55   2.405   6.287  15.523
  441    HE   ARG  55           HE       ARG  55   3.397   9.026  15.749
  442   HH11  ARG  55          HH11      ARG  55   2.357   6.488  13.506
  443   HH12  ARG  55          HH12      ARG  55   3.255   7.157  12.162
  444   HH21  ARG  55          HH21      ARG  55   4.523   9.882  13.964
  445   HH22  ARG  55          HH22      ARG  55   4.457   9.057  12.419
  446    H    GLY  56           H        GLY  56  -0.080   3.066  15.949
  447    HA2  GLY  56           HA2      GLY  56   2.639   3.201  14.967
  448    HA3  GLY  56           HA3      GLY  56   1.827   1.805  15.682
  449    H    PHE  57           H        PHE  57  -0.129   2.891  13.105
  450    HA   PHE  57           HA       PHE  57   1.430   1.634  10.975
  451    HB2  PHE  57           HB2      PHE  57  -0.089  -0.159  10.526
  452    HB3  PHE  57           HB3      PHE  57   0.459  -0.296  12.194
  453    HD1  PHE  57           HD2      PHE  57  -2.367   0.448   9.973
  454    HD2  PHE  57           HD1      PHE  57  -1.095   0.105  14.068
  455    HE1  PHE  57           HE2      PHE  57  -4.709   0.511  10.688
  456    HE2  PHE  57           HE1      PHE  57  -3.459   0.083  14.793
  457    HZ   PHE  57           HZ       PHE  57  -5.280   0.282  13.115
  458    H    ALA  58           H        ALA  58  -0.379   1.284   9.042
  459    HA   ALA  58           HA       ALA  58  -2.094   3.685   8.905
  460    HB1  ALA  58           HB1      ALA  58   0.101   4.478   8.169
  461    HB2  ALA  58           HB2      ALA  58   0.215   3.150   6.993
  462    HB3  ALA  58           HB3      ALA  58  -1.020   4.413   6.799
  463    H    PHE  59           H        PHE  59  -2.886   3.761   6.450
  464    HA   PHE  59           HA       PHE  59  -3.619   1.128   5.324
  465    HB2  PHE  59           HB2      PHE  59  -5.147   1.720   7.253
  466    HB3  PHE  59           HB3      PHE  59  -5.690   3.102   6.312
  467    HD1  PHE  59           HD1      PHE  59  -5.611   1.400   3.562
  468    HD2  PHE  59           HD2      PHE  59  -7.315   0.801   7.470
  469    HE1  PHE  59           HE1      PHE  59  -7.354  -0.040   2.581
  470    HE2  PHE  59           HE2      PHE  59  -9.042  -0.678   6.473
  471    HZ   PHE  59           HZ       PHE  59  -9.048  -1.108   4.035
  472    H    VAL  60           H        VAL  60  -2.031   2.501   3.754
  473    HA   VAL  60           HA       VAL  60  -3.458   4.559   2.255
  474    HB   VAL  60           HB       VAL  60  -1.766   4.604   0.693
  475   HG11  VAL  60          HG11      VAL  60  -0.795   5.049   2.921
  476   HG12  VAL  60          HG12      VAL  60  -0.323   3.343   3.057
  477   HG13  VAL  60          HG13      VAL  60   0.371   4.367   1.771
  478   HG21  VAL  60          HG21      VAL  60  -0.222   2.647   0.284
  479   HG22  VAL  60          HG22      VAL  60  -1.490   1.660   1.083
  480   HG23  VAL  60          HG23      VAL  60  -1.870   2.596  -0.371
  481    H    ARG  61           H        ARG  61  -4.180   4.108  -0.129
  482    HA   ARG  61           HA       ARG  61  -5.465   1.425  -0.323
  483    HB2  ARG  61           HB2      ARG  61  -6.886   2.868   1.113
  484    HB3  ARG  61           HB3      ARG  61  -6.955   4.051  -0.214
  485    HG2  ARG  61           HG2      ARG  61  -7.853   1.950  -1.598
  486    HG3  ARG  61           HG3      ARG  61  -8.255   1.338   0.016
  487    HD2  ARG  61           HD2      ARG  61  -9.305   3.735  -1.478
  488    HD3  ARG  61           HD3      ARG  61 -10.214   2.504  -0.591
  489    HE   ARG  61           HE       ARG  61  -9.230   5.018   0.398
  490   HH11  ARG  61          HH11      ARG  61  -9.832   1.683   1.434
  491   HH12  ARG  61          HH12      ARG  61  -9.923   2.125   3.124
  492   HH21  ARG  61          HH21      ARG  61  -9.311   5.534   2.548
  493   HH22  ARG  61          HH22      ARG  61  -9.639   4.305   3.760
  494    H    PHE  62           H        PHE  62  -4.132   1.233  -2.276
  495    HA   PHE  62           HA       PHE  62  -4.304   3.106  -4.450
  496    HB2  PHE  62           HB2      PHE  62  -3.733   0.126  -4.402
  497    HB3  PHE  62           HB3      PHE  62  -3.618   1.131  -5.840
  498    HD1  PHE  62           HD2      PHE  62  -2.327   1.333  -2.281
  499    HD2  PHE  62           HD1      PHE  62  -1.530   1.760  -6.488
  500    HE1  PHE  62           HE2      PHE  62   0.009   1.926  -1.773
  501    HE2  PHE  62           HE1      PHE  62   0.839   2.275  -5.979
  502    HZ   PHE  62           HZ       PHE  62   1.633   2.286  -3.641
  503    H    HIS  63           H        HIS  63  -5.564   3.079  -6.347
  504    HA   HIS  63           HA       HIS  63  -8.248   1.826  -6.002
  505    HB2  HIS  63           HB2      HIS  63  -7.227   4.165  -7.656
  506    HB3  HIS  63           HB3      HIS  63  -8.859   3.505  -7.783
  507    HD2  HIS  63           HD2      HIS  63  -7.479   6.409  -6.554
  508    HE1  HIS  63           HE1      HIS  63 -10.111   5.431  -3.355
  509    HE2  HIS  63           HE2      HIS  63  -8.718   7.294  -4.411
  510    H    ASP  64           H        ASP  64  -5.355   1.387  -7.766
  511    HA   ASP  64           HA       ASP  64  -6.875   0.038  -9.955
  512    HB2  ASP  64           HB2      ASP  64  -5.825   2.275 -10.574
  513    HB3  ASP  64           HB3      ASP  64  -4.242   1.527 -10.283
  514    H    LYS  65           H        LYS  65  -6.299  -1.926 -10.477
  515    HA   LYS  65           HA       LYS  65  -4.952  -3.351  -8.424
  516    HB2  LYS  65           HB2      LYS  65  -6.926  -3.994  -9.998
  517    HB3  LYS  65           HB3      LYS  65  -5.643  -4.518 -11.122
  518    HG2  LYS  65           HG2      LYS  65  -4.705  -5.953  -9.330
  519    HG3  LYS  65           HG3      LYS  65  -5.943  -5.341  -8.206
  520    HD2  LYS  65           HD2      LYS  65  -6.541  -7.569  -9.081
  521    HD3  LYS  65           HD3      LYS  65  -7.725  -6.341  -9.568
  522    HE2  LYS  65           HE2      LYS  65  -6.641  -6.146 -11.774
  523    HE3  LYS  65           HE3      LYS  65  -5.433  -7.347 -11.294
  524    HZ1  LYS  65           HZ1      LYS  65  -7.200  -8.949 -11.056
  525    HZ2  LYS  65           HZ2      LYS  65  -8.334  -7.836 -11.477
  526    HZ3  LYS  65           HZ3      LYS  65  -7.212  -8.328 -12.578
  527    H    ARG  66           H        ARG  66  -3.801  -2.088 -11.548
  528    HA   ARG  66           HA       ARG  66  -1.591  -3.941 -11.736
  529    HB2  ARG  66           HB2      ARG  66  -0.891  -2.633 -13.584
  530    HB3  ARG  66           HB3      ARG  66  -2.665  -2.613 -13.607
  531    HG2  ARG  66           HG2      ARG  66  -2.458  -0.361 -12.320
  532    HG3  ARG  66           HG3      ARG  66  -0.748  -0.412 -12.794
  533    HD2  ARG  66           HD2      ARG  66  -1.891   0.884 -14.445
  534    HD3  ARG  66           HD3      ARG  66  -1.538  -0.683 -15.198
  535    HE   ARG  66           HE       ARG  66  -4.155  -0.480 -13.881
  536   HH11  ARG  66          HH11      ARG  66  -2.394  -0.052 -16.913
  537   HH12  ARG  66          HH12      ARG  66  -3.832  -0.188 -17.902
  538   HH21  ARG  66          HH21      ARG  66  -6.006  -0.599 -15.171
  539   HH22  ARG  66          HH22      ARG  66  -5.876  -0.486 -16.913
  540    H    ASP  67           H        ASP  67  -2.004  -0.631 -10.467
  541    HA   ASP  67           HA       ASP  67   0.756  -0.291  -9.644
  542    HB2  ASP  67           HB2      ASP  67  -1.797   1.084  -8.729
  543    HB3  ASP  67           HB3      ASP  67  -0.144   1.642  -8.447
  544    H    ALA  68           H        ALA  68  -2.177  -1.745  -8.271
  545    HA   ALA  68           HA       ALA  68  -1.172  -1.793  -5.567
  546    HB1  ALA  68           HB1      ALA  68  -3.434  -3.302  -6.949
  547    HB2  ALA  68           HB2      ALA  68  -3.169  -3.254  -5.205
  548    HB3  ALA  68           HB3      ALA  68  -3.578  -1.755  -6.081
  549    H    GLU  69           H        GLU  69  -1.291  -4.202  -8.278
  550    HA   GLU  69           HA       GLU  69  -0.421  -6.354  -6.594
  551    HB2  GLU  69           HB2      GLU  69  -0.436  -5.933  -9.601
  552    HB3  GLU  69           HB3      GLU  69   0.211  -7.404  -8.846
  553    HG2  GLU  69           HG2      GLU  69  -1.936  -7.808  -7.719
  554    HG3  GLU  69           HG3      GLU  69  -2.620  -6.362  -8.466
  555    H    ASP  70           H        ASP  70   1.332  -3.864  -8.491
  556    HA   ASP  70           HA       ASP  70   3.909  -5.150  -8.103
  557    HB2  ASP  70           HB2      ASP  70   3.054  -2.305  -8.760
  558    HB3  ASP  70           HB3      ASP  70   4.742  -2.814  -8.607
  559    H    ALA  71           H        ALA  71   1.975  -2.704  -6.334
  560    HA   ALA  71           HA       ALA  71   4.030  -1.839  -4.604
  561    HB1  ALA  71           HB1      ALA  71   2.165  -1.004  -3.209
  562    HB2  ALA  71           HB2      ALA  71   1.912  -0.634  -4.929
  563    HB3  ALA  71           HB3      ALA  71   1.024  -1.978  -4.170
  564    H    MET  72           H        MET  72   1.875  -4.704  -4.408
  565    HA   MET  72           HA       MET  72   2.863  -5.197  -1.666
  566    HB2  MET  72           HB2      MET  72   1.286  -7.000  -1.587
  567    HB3  MET  72           HB3      MET  72   0.465  -5.632  -2.374
  568    HG2  MET  72           HG2      MET  72   1.159  -6.592  -4.574
  569    HG3  MET  72           HG3      MET  72   1.716  -8.045  -3.721
  570    HE1  MET  72           HE1      MET  72  -1.384  -9.392  -5.557
  571    HE2  MET  72           HE2      MET  72  -0.110  -8.276  -6.111
  572    HE3  MET  72           HE3      MET  72   0.319  -9.682  -5.119
  573    H    ASP  73           H        ASP  73   3.475  -6.263  -4.981
  574    HA   ASP  73           HA       ASP  73   4.923  -8.640  -4.247
  575    HB2  ASP  73           HB2      ASP  73   3.873  -8.265  -6.459
  576    HB3  ASP  73           HB3      ASP  73   5.010  -6.942  -6.770
  577    H    ALA  74           H        ALA  74   5.667  -5.323  -3.898
  578    HA   ALA  74           HA       ALA  74   8.570  -5.998  -3.678
  579    HB1  ALA  74           HB1      ALA  74   8.999  -3.686  -4.497
  580    HB2  ALA  74           HB2      ALA  74   8.174  -4.708  -5.698
  581    HB3  ALA  74           HB3      ALA  74   7.236  -3.519  -4.761
  582    H    MET  75           H        MET  75   5.808  -4.837  -2.015
  583    HA   MET  75           HA       MET  75   7.634  -3.698   0.074
  584    HB2  MET  75           HB2      MET  75   4.715  -3.086  -0.430
  585    HB3  MET  75           HB3      MET  75   5.668  -2.449   0.906
  586    HG2  MET  75           HG2      MET  75   6.384  -1.966  -2.012
  587    HG3  MET  75           HG3      MET  75   5.344  -0.908  -1.063
  588    HE1  MET  75           HE1      MET  75   6.550   1.015  -1.665
  589    HE2  MET  75           HE2      MET  75   6.337   1.293   0.063
  590    HE3  MET  75           HE3      MET  75   7.898   1.663  -0.691
  591    H    ASP  76           H        ASP  76   5.073  -6.161  -0.545
  592    HA   ASP  76           HA       ASP  76   4.456  -6.470   2.232
  593    HB2  ASP  76           HB2      ASP  76   3.034  -7.366   0.412
  594    HB3  ASP  76           HB3      ASP  76   4.308  -8.531   0.005
  595    H    GLY  77           H        GLY  77   5.679  -7.217   3.830
  596    HA2  GLY  77           HA2      GLY  77   7.161  -8.536   4.985
  597    HA3  GLY  77           HA3      GLY  77   7.479  -9.469   3.507
  598    H    ALA  78           H        ALA  78   7.842  -6.210   2.753
  599    HA   ALA  78           HA       ALA  78  10.714  -6.458   2.530
  600    HB1  ALA  78           HB1      ALA  78   8.860  -4.083   2.080
  601    HB2  ALA  78           HB2      ALA  78  10.538  -4.224   1.512
  602    HB3  ALA  78           HB3      ALA  78   9.289  -5.304   0.861
  603    H    VAL  79           H        VAL  79  11.780  -4.055   3.086
  604    HA   VAL  79           HA       VAL  79  11.338  -3.539   5.979
  605    HB   VAL  79           HB       VAL  79  13.971  -4.303   4.641
  606   HG11  VAL  79          HG11      VAL  79  14.958  -4.040   6.907
  607   HG12  VAL  79          HG12      VAL  79  14.389  -2.500   6.246
  608   HG13  VAL  79          HG13      VAL  79  13.429  -3.349   7.485
  609   HG21  VAL  79          HG21      VAL  79  13.961  -6.113   6.350
  610   HG22  VAL  79          HG22      VAL  79  12.331  -5.600   6.851
  611   HG23  VAL  79          HG23      VAL  79  12.604  -6.248   5.216
  612    H    LEU  80           H        LEU  80  11.915  -1.497   6.640
  613    HA   LEU  80           HA       LEU  80  13.175   0.403   4.774
  614    HB2  LEU  80           HB2      LEU  80  10.885   0.672   4.153
  615    HB3  LEU  80           HB3      LEU  80  10.338   0.572   5.833
  616    HG   LEU  80           HG       LEU  80  11.285   2.753   6.342
  617   HD11  LEU  80          HD11      LEU  80  12.198   2.757   3.426
  618   HD12  LEU  80          HD12      LEU  80  12.264   4.155   4.527
  619   HD13  LEU  80          HD13      LEU  80  13.271   2.730   4.843
  620   HD21  LEU  80          HD21      LEU  80   9.735   2.808   3.722
  621   HD22  LEU  80          HD22      LEU  80   9.020   2.604   5.336
  622   HD23  LEU  80          HD23      LEU  80   9.841   4.126   4.910
  623    H    ASP  81           H        ASP  81  14.700   1.407   5.965
  624    HA   ASP  81           HA       ASP  81  15.890   2.211   7.698
  625    HB2  ASP  81           HB2      ASP  81  13.902   3.702   7.874
  626    HB3  ASP  81           HB3      ASP  81  13.211   2.620   9.090
  627    H    GLY  82           H        GLY  82  13.982  -0.609   8.137
  628    HA2  GLY  82           HA2      GLY  82  15.500  -2.361   9.210
  629    HA3  GLY  82           HA3      GLY  82  15.467  -1.303  10.636
  630    H    ARG  83           H        ARG  83  12.495  -0.903   9.283
  631    HA   ARG  83           HA       ARG  83  11.146  -2.425  11.331
  632    HB2  ARG  83           HB2      ARG  83   9.206  -1.293  10.505
  633    HB3  ARG  83           HB3      ARG  83  10.542  -0.143  10.392
  634    HG2  ARG  83           HG2      ARG  83  10.818  -0.863   7.945
  635    HG3  ARG  83           HG3      ARG  83   9.370  -1.830   8.110
  636    HD2  ARG  83           HD2      ARG  83   8.669   0.220   7.163
  637    HD3  ARG  83           HD3      ARG  83   8.132   0.245   8.857
  638    HE   ARG  83           HE       ARG  83  10.710   1.443   8.681
  639   HH11  ARG  83          HH11      ARG  83   7.398   2.059   7.632
  640   HH12  ARG  83          HH12      ARG  83   7.569   3.802   7.754
  641   HH21  ARG  83          HH21      ARG  83  10.915   3.728   8.750
  642   HH22  ARG  83          HH22      ARG  83   9.535   4.728   8.358
  643    H    GLU  84           H        GLU  84   8.851  -3.237  10.162
  644    HA   GLU  84           HA       GLU  84   9.525  -5.168   7.984
  645    HB2  GLU  84           HB2      GLU  84   7.650  -5.448  10.366
  646    HB3  GLU  84           HB3      GLU  84   7.565  -6.492   8.932
  647    HG2  GLU  84           HG2      GLU  84   9.939  -7.152   9.321
  648    HG3  GLU  84           HG3      GLU  84   9.969  -6.124  10.765
  649    H    LEU  85           H        LEU  85   7.644  -5.459   6.476
  650    HA   LEU  85           HA       LEU  85   5.802  -3.112   6.538
  651    HB2  LEU  85           HB2      LEU  85   7.602  -4.088   4.294
  652    HB3  LEU  85           HB3      LEU  85   6.195  -3.045   4.001
  653    HG   LEU  85           HG       LEU  85   8.499  -2.317   5.858
  654   HD11  LEU  85          HD11      LEU  85   9.277  -2.469   3.536
  655   HD12  LEU  85          HD12      LEU  85   7.909  -1.469   2.988
  656   HD13  LEU  85          HD13      LEU  85   9.161  -0.773   4.042
  657   HD21  LEU  85          HD21      LEU  85   6.120  -0.782   4.730
  658   HD22  LEU  85          HD22      LEU  85   6.471  -1.130   6.443
  659   HD23  LEU  85          HD23      LEU  85   7.502  -0.009   5.524
  660    H    ARG  86           H        ARG  86   3.835  -3.402   5.471
  661    HA   ARG  86           HA       ARG  86   3.147  -6.132   4.579
  662    HB2  ARG  86           HB2      ARG  86   1.998  -4.618   6.954
  663    HB3  ARG  86           HB3      ARG  86   1.005  -5.778   6.080
  664    HG2  ARG  86           HG2      ARG  86   3.665  -6.397   7.430
  665    HG3  ARG  86           HG3      ARG  86   2.055  -6.835   8.025
  666    HD2  ARG  86           HD2      ARG  86   1.672  -8.169   5.945
  667    HD3  ARG  86           HD3      ARG  86   3.326  -7.795   5.429
  668    HE   ARG  86           HE       ARG  86   3.173  -9.025   8.069
  669   HH11  ARG  86          HH11      ARG  86   3.386  -9.569   4.575
  670   HH12  ARG  86          HH12      ARG  86   4.079 -11.159   4.748
  671   HH21  ARG  86          HH21      ARG  86   4.090 -11.102   8.265
  672   HH22  ARG  86          HH22      ARG  86   4.487 -12.020   6.829
  673    H    VAL  87           H        VAL  87   1.711  -6.184   3.003
  674    HA   VAL  87           HA       VAL  87   0.050  -3.845   2.334
  675    HB   VAL  87           HB       VAL  87   2.143  -4.980   0.424
  676   HG11  VAL  87          HG11      VAL  87   1.355  -3.116  -1.023
  677   HG12  VAL  87          HG12      VAL  87   0.082  -4.315  -0.702
  678   HG13  VAL  87          HG13      VAL  87   0.075  -2.763   0.160
  679   HG21  VAL  87          HG21      VAL  87   3.332  -3.588   1.942
  680   HG22  VAL  87          HG22      VAL  87   2.983  -2.563   0.528
  681   HG23  VAL  87          HG23      VAL  87   2.014  -2.397   2.004
  682    H    GLN  88           H        GLN  88  -1.915  -4.706   1.731
  683    HA   GLN  88           HA       GLN  88  -2.072  -6.978  -0.052
  684    HB2  GLN  88           HB2      GLN  88  -3.342  -8.437   1.476
  685    HB3  GLN  88           HB3      GLN  88  -1.683  -8.219   2.031
  686    HG2  GLN  88           HG2      GLN  88  -4.042  -6.610   3.095
  687    HG3  GLN  88           HG3      GLN  88  -3.491  -8.122   3.819
  688   HE21  GLN  88          HE22      GLN  88  -3.415  -4.985   4.454
  689   HE22  GLN  88          HE21      GLN  88  -1.821  -4.822   5.169
  690    H    MET  89           H        MET  89  -4.424  -7.532  -0.499
  691    HA   MET  89           HA       MET  89  -5.853  -5.143  -1.048
  692    HB2  MET  89           HB2      MET  89  -6.817  -8.023  -1.004
  693    HB3  MET  89           HB3      MET  89  -7.638  -6.668  -1.800
  694    HG2  MET  89           HG2      MET  89  -4.839  -7.685  -2.443
  695    HG3  MET  89           HG3      MET  89  -6.290  -8.005  -3.394
  696    HE1  MET  89           HE1      MET  89  -4.528  -7.223  -5.368
  697    HE2  MET  89           HE2      MET  89  -3.855  -5.576  -5.455
  698    HE3  MET  89           HE3      MET  89  -3.325  -6.682  -4.171
  699    H    ALA  90           H        ALA  90  -7.763  -4.265  -0.142
  700    HA   ALA  90           HA       ALA  90  -7.919  -4.610   2.741
  701    HB1  ALA  90           HB1      ALA  90  -9.594  -2.898   0.867
  702    HB2  ALA  90           HB2      ALA  90  -9.512  -2.761   2.634
  703    HB3  ALA  90           HB3      ALA  90  -8.084  -2.387   1.658
  704    H    ARG  91           H        ARG  91 -10.272  -4.553   3.692
  705    HA   ARG  91           HA       ARG  91 -12.136  -6.370   2.292
  706    HB2  ARG  91           HB2      ARG  91 -12.276  -7.879   4.236
  707    HB3  ARG  91           HB3      ARG  91 -10.647  -7.879   3.545
  708    HG2  ARG  91           HG2      ARG  91  -9.831  -6.410   5.292
  709    HG3  ARG  91           HG3      ARG  91 -11.469  -6.163   5.922
  710    HD2  ARG  91           HD2      ARG  91 -10.286  -7.714   7.332
  711    HD3  ARG  91           HD3      ARG  91 -11.607  -8.555   6.505
  712    HE   ARG  91           HE       ARG  91  -9.139  -8.781   5.015
  713   HH11  ARG  91          HH11      ARG  91 -10.861 -10.073   7.830
  714   HH12  ARG  91          HH12      ARG  91 -10.030 -11.608   7.775
  715   HH21  ARG  91          HH21      ARG  91  -8.080 -10.808   4.969
  716   HH22  ARG  91          HH22      ARG  91  -8.471 -12.023   6.159
  717    H    TYR  92           H        TYR  92 -13.988  -6.831   4.088
  718    HA   TYR  92           HA       TYR  92 -15.855  -5.975   5.009
  719    HB2  TYR  92           HB2      TYR  92 -13.976  -4.019   6.349
  720    HB3  TYR  92           HB3      TYR  92 -15.587  -4.487   6.898
  721    HD1  TYR  92           HD2      TYR  92 -15.433  -7.488   6.506
  722    HD2  TYR  92           HD1      TYR  92 -12.618  -4.663   8.124
  723    HE1  TYR  92           HE2      TYR  92 -14.426  -9.285   7.885
  724    HE2  TYR  92           HE1      TYR  92 -11.603  -6.454   9.502
  725    HH   TYR  92           HH       TYR  92 -11.646  -8.682  10.067
  726    H    GLY  93           H        GLY  93 -16.783  -3.541   5.760
  727    HA2  GLY  93           HA2      GLY  93 -16.726  -1.845   3.312
  728    HA3  GLY  93           HA3      GLY  93 -18.258  -2.409   4.021
  729    H    ARG  94           H        ARG  94 -15.241  -1.363   5.558
  730    HA   ARG  94           HA       ARG  94 -14.675   0.137   7.089
  731    HB2  ARG  94           HB2      ARG  94 -16.975   1.672   5.871
  732    HB3  ARG  94           HB3      ARG  94 -16.079   2.288   7.259
  733    HG2  ARG  94           HG2      ARG  94 -13.957   2.087   6.033
  734    HG3  ARG  94           HG3      ARG  94 -14.830   1.478   4.600
  735    HD2  ARG  94           HD2      ARG  94 -16.055   3.566   4.393
  736    HD3  ARG  94           HD3      ARG  94 -15.423   4.149   5.944
  737    HE   ARG  94           HE       ARG  94 -13.435   4.742   4.953
  738   HH11  ARG  94          HH11      ARG  94 -15.285   2.763   2.652
  739   HH12  ARG  94          HH12      ARG  94 -14.196   3.146   1.327
  740   HH21  ARG  94          HH21      ARG  94 -12.100   5.213   3.173
  741   HH22  ARG  94          HH22      ARG  94 -12.461   4.488   1.609
  742    HA   PRO  95           HA       PRO  95 -16.286  -0.954  10.919
  743    HB2  PRO  95           HB2      PRO  95 -16.003   1.935  11.699
  744    HB3  PRO  95           HB3      PRO  95 -15.388   0.474  12.534
  745    HG2  PRO  95           HG2      PRO  95 -13.728   2.046  11.024
  746    HG3  PRO  95           HG3      PRO  95 -13.562   0.269  11.035
  747    HD2  PRO  95           HD2      PRO  95 -14.786   2.018   8.939
  748    HD3  PRO  95           HD3      PRO  95 -13.869   0.488   8.789
  749    HA   PRO  96           HA       PRO  96 -20.541   0.446  10.484
  750    HB2  PRO  96           HB2      PRO  96 -21.788  -1.670  11.621
  751    HB3  PRO  96           HB3      PRO  96 -20.870  -1.868  10.086
  752    HG2  PRO  96           HG2      PRO  96 -19.917  -2.441  12.915
  753    HG3  PRO  96           HG3      PRO  96 -19.837  -3.518  11.482
  754    HD2  PRO  96           HD2      PRO  96 -17.742  -1.914  12.284
  755    HD3  PRO  96           HD3      PRO  96 -18.054  -2.315  10.563
  756    H    ASP  97           H        ASP  97 -18.796  -0.051  13.495
  757    HA   ASP  97           HA       ASP  97 -20.735   1.631  14.888
  758    HB2  ASP  97           HB2      ASP  97 -21.346   0.046  16.568
  759    HB3  ASP  97           HB3      ASP  97 -21.608  -0.744  15.006
  760    H    SER  98           H        SER  98 -17.707   1.367  14.243
  761    HA   SER  98           HA       SER  98 -16.506   1.281  16.913
  762    HB2  SER  98           HB2      SER  98 -15.358   2.103  14.220
  763    HB3  SER  98           HB3      SER  98 -14.429   1.937  15.724
  764    HG   SER  98           HG       SER  98 -14.350   0.016  14.500
  765    H    HIS  99           H        HIS  99 -18.335   3.655  15.393
  766    HA   HIS  99           HA       HIS  99 -17.214   5.729  17.154
  767    HB2  HIS  99           HB2      HIS  99 -16.769   7.298  15.331
  768    HB3  HIS  99           HB3      HIS  99 -15.825   5.821  15.086
  769    HD2  HIS  99           HD2      HIS  99 -16.755   4.086  13.140
  770    HE1  HIS  99           HE1      HIS  99 -19.219   6.924  11.163
  771    HE2  HIS  99           HE2      HIS  99 -18.154   4.621  11.001
  772    H    HIS 100           H        HIS 100 -19.898   4.203  16.083
  773    HA   HIS 100           HA       HIS 100 -21.590   6.373  15.258
  774    HB2  HIS 100           HB2      HIS 100 -23.367   4.781  15.413
  775    HB3  HIS 100           HB3      HIS 100 -21.956   3.973  14.727
  776    HD2  HIS 100           HD2      HIS 100 -24.480   2.576  16.344
  777    HE1  HIS 100           HE1      HIS 100 -21.505   1.578  19.216
  778    HE2  HIS 100           HE2      HIS 100 -23.859   1.056  18.386
  779    H    SER 101           H        SER 101 -20.271   5.706  18.300
  780    HA   SER 101           HA       SER 101 -22.155   7.544  19.595
  781    HB2  SER 101           HB2      SER 101 -23.181   5.310  19.918
  782    HB3  SER 101           HB3      SER 101 -21.672   4.731  20.660
  783    HG   SER 101           HG       SER 101 -23.206   5.455  22.218
  784    H5'    U 102           H5'        U 102  -3.926  -6.562  11.492
  785   H5''    U 102          H5''        U 102  -2.156  -6.548  11.744
  786    H4'    U 102           H4'        U 102  -4.197  -5.609  13.814
  787    H3'    U 102           H3'        U 102  -2.447  -4.057  11.870
  788    H2'    U 102           H2'        U 102  -2.555  -2.327  13.546
  789   HO2'    U 102          HO2'        U 102  -4.782  -2.701  14.143
  790    H1'    U 102           H1'        U 102  -2.066  -4.071  15.611
  791    H3     U 102           H3         U 102   2.136  -4.286  12.466
  792    H5     U 102           H5         U 102   1.314  -1.076  15.054
  793    H6     U 102           H6         U 102  -0.884  -2.054  15.445
  794   HO5'    U 102          HO5'        U 102  -2.489  -7.970  13.502
  795    H5'    C 103           H5'        C 103  -5.825  -1.150   9.650
  796   H5''    C 103          H5''        C 103  -6.296  -1.431  11.332
  797    H4'    C 103           H4'        C 103  -8.136  -0.435  10.151
  798    H3'    C 103           H3'        C 103  -8.400  -2.781  11.609
  799    H2'    C 103           H2'        C 103  -8.475  -4.308   9.867
  800   HO2'    C 103          HO2'        C 103 -10.630  -4.296  10.765
  801    H1'    C 103           H1'        C 103  -9.946  -2.516   7.983
  802    H41    C 103           H41        C 103  -7.116  -6.170   3.612
  803    H42    C 103           H42        C 103  -6.021  -6.829   4.800
  804    H5     C 103           H5         C 103  -5.986  -6.102   7.140
  805    H6     C 103           H6         C 103  -6.992  -4.636   8.740
  806    H5'    C 104           H5'        C 104 -11.770   1.655  11.632
  807   H5''    C 104          H5''        C 104 -11.542   0.680  10.169
  808    H4'    C 104           H4'        C 104 -10.385   3.471  10.680
  809    H3'    C 104           H3'        C 104 -12.764   2.380   9.244
  810    H2'    C 104           H2'        C 104 -12.475   3.562   7.325
  811   HO2'    C 104          HO2'        C 104 -12.200   5.657   8.328
  812    H1'    C 104           H1'        C 104  -9.740   3.698   7.319
  813    H41    C 104           H41        C 104 -11.608  -0.686   3.078
  814    H42    C 104           H42        C 104 -12.273  -1.706   4.333
  815    H5     C 104           H5         C 104 -12.332  -1.027   6.701
  816    H6     C 104           H6         C 104 -11.718   0.708   8.254
  817    H5'    A 105           H5'        A 105 -15.912   6.573  10.954
  818   H5''    A 105          H5''        A 105 -15.119   8.025  10.350
  819    H4'    A 105           H4'        A 105 -14.746   7.949  12.710
  820    H3'    A 105           H3'        A 105 -12.508   7.763  10.858
  821    H2'    A 105           H2'        A 105 -11.639   5.924  11.883
  822   HO2'    A 105          HO2'        A 105 -10.299   7.681  12.686
  823    H1'    A 105           H1'        A 105 -13.085   6.686  14.467
  824    H8     A 105           H8         A 105 -11.992   3.775  12.244
  825    H61    A 105           H61        A 105 -11.231   0.713  17.613
  826    H62    A 105           H62        A 105 -11.100   0.586  15.863
  827    H2     A 105           H2         A 105 -12.710   4.788  18.515
  828    H5'    G 106           H5'        G 106 -10.029  10.133  10.894
  829   H5''    G 106          H5''        G 106 -10.682  11.477  11.844
  830    H4'    G 106           H4'        G 106  -9.524  12.652  10.254
  831    H3'    G 106           H3'        G 106 -12.261  12.790  10.077
  832    H2'    G 106           H2'        G 106 -12.624  11.266   8.428
  833   HO2'    G 106          HO2'        G 106 -12.042  13.669   7.056
  834    H1'    G 106           H1'        G 106 -10.209  11.974   6.764
  835    H8     G 106           H8         G 106 -12.163   9.252   8.720
  836    H1     G 106           H1         G 106  -9.821   7.556   2.969
  837    H21    G 106           H21        G 106  -8.604   9.255   2.158
  838    H22    G 106           H22        G 106  -8.440  10.757   3.040
  839    H5'    U 107           H5'        U 107 -12.669  17.295  10.513
  840   H5''    U 107          H5''        U 107 -13.101  16.099   9.287
  841    H4'    U 107           H4'        U 107 -13.895  18.341   8.691
  842    H3'    U 107           H3'        U 107 -12.846  16.621   6.918
  843   HO3'    U 107          HO3'        U 107 -13.333  19.408   6.476
  844    H2'    U 107           H2'        U 107 -10.560  17.189   7.196
  845   HO2'    U 107          HO2'        U 107 -11.509  19.029   5.237
  846    H1'    U 107           H1'        U 107 -11.047  20.117   7.151
  847    H3     U 107           H3         U 107  -8.059  19.846  11.211
  848    H5     U 107           H5         U 107  -6.495  18.203   7.682
  849    H6     U 107           H6         U 107  -8.695  18.361   6.693
  Start of MODEL    7
    1    H    MET   1           H1       MET   1   0.290  20.129   3.283
    2    HA   MET   1           HA       MET   1  -1.552  19.854   1.840
    3    HB2  MET   1           HB2      MET   1  -2.364  17.632   1.248
    4    HB3  MET   1           HB3      MET   1  -0.726  17.882   0.634
    5    HG2  MET   1           HG2      MET   1   0.186  16.570   2.515
    6    HG3  MET   1           HG3      MET   1  -1.438  16.377   3.183
    7    HE1  MET   1           HE1      MET   1   0.065  14.432  -0.752
    8    HE2  MET   1           HE2      MET   1  -0.298  16.166  -0.624
    9    HE3  MET   1           HE3      MET   1   1.047  15.470   0.311
   10    H    SER   2           H        SER   2  -3.651  18.297   2.612
   11    HA   SER   2           HA       SER   2  -3.686  18.280   5.572
   12    HB2  SER   2           HB2      SER   2  -5.759  19.647   5.562
   13    HB3  SER   2           HB3      SER   2  -4.357  20.544   4.944
   14    HG   SER   2           HG       SER   2  -6.226  20.772   3.627
   15    H    TYR   3           H        TYR   3  -4.079  16.501   2.937
   16    HA   TYR   3           HA       TYR   3  -5.311  14.742   2.272
   17    HB2  TYR   3           HB2      TYR   3  -5.961  14.511   5.225
   18    HB3  TYR   3           HB3      TYR   3  -6.097  13.231   4.029
   19    HD1  TYR   3           HD1      TYR   3  -3.757  15.279   6.009
   20    HD2  TYR   3           HD2      TYR   3  -4.123  12.136   3.094
   21    HE1  TYR   3           HE1      TYR   3  -1.359  14.717   6.326
   22    HE2  TYR   3           HE2      TYR   3  -1.736  11.539   3.435
   23    HH   TYR   3           HH       TYR   3   0.376  13.372   5.677
   24    H    GLY   4           H        GLY   4  -7.622  13.538   2.813
   25    HA2  GLY   4           HA2      GLY   4  -9.837  15.314   3.245
   26    HA3  GLY   4           HA3      GLY   4  -9.529  15.078   1.512
   27    H    ARG   5           H        ARG   5 -11.941  14.252   2.502
   28    HA   ARG   5           HA       ARG   5 -12.134  11.662   3.512
   29    HB2  ARG   5           HB2      ARG   5 -14.437  11.752   2.648
   30    HB3  ARG   5           HB3      ARG   5 -13.973  13.297   3.375
   31    HG2  ARG   5           HG2      ARG   5 -13.460  14.171   1.071
   32    HG3  ARG   5           HG3      ARG   5 -14.043  12.632   0.394
   33    HD2  ARG   5           HD2      ARG   5 -16.247  13.017   1.467
   34    HD3  ARG   5           HD3      ARG   5 -15.665  14.565   2.094
   35    HE   ARG   5           HE       ARG   5 -15.348  14.365  -0.779
   36   HH11  ARG   5          HH11      ARG   5 -17.685  15.039   1.791
   37   HH12  ARG   5          HH12      ARG   5 -18.694  16.033   0.766
   38   HH21  ARG   5          HH21      ARG   5 -16.684  15.689  -2.083
   39   HH22  ARG   5          HH22      ARG   5 -18.126  16.407  -1.408
   40    HA   PRO   6           HA       PRO   6 -10.980   8.966   0.253
   41    HB2  PRO   6           HB2      PRO   6 -12.560   6.785   0.753
   42    HB3  PRO   6           HB3      PRO   6 -11.233   7.298   1.854
   43    HG2  PRO   6           HG2      PRO   6 -14.188   7.935   2.078
   44    HG3  PRO   6           HG3      PRO   6 -13.102   7.283   3.353
   45    HD2  PRO   6           HD2      PRO   6 -13.666   9.957   3.156
   46    HD3  PRO   6           HD3      PRO   6 -12.035   9.418   3.614
   47    HA   PRO   7           HA       PRO   7 -13.624   9.399  -3.251
   48    HB2  PRO   7           HB2      PRO   7 -13.190   6.440  -3.708
   49    HB3  PRO   7           HB3      PRO   7 -13.047   7.787  -4.883
   50    HG2  PRO   7           HG2      PRO   7 -10.824   6.706  -3.790
   51    HG3  PRO   7           HG3      PRO   7 -10.971   8.487  -3.939
   52    HD2  PRO   7           HD2      PRO   7 -11.418   6.771  -1.492
   53    HD3  PRO   7           HD3      PRO   7 -10.568   8.341  -1.635
   54    HA   PRO   8           HA       PRO   8 -17.610   7.878  -2.034
   55    HB2  PRO   8           HB2      PRO   8 -19.113   8.542  -4.189
   56    HB3  PRO   8           HB3      PRO   8 -18.289   9.803  -3.205
   57    HG2  PRO   8           HG2      PRO   8 -17.322   8.526  -5.790
   58    HG3  PRO   8           HG3      PRO   8 -17.442  10.278  -5.409
   59    HD2  PRO   8           HD2      PRO   8 -15.116   8.858  -5.111
   60    HD3  PRO   8           HD3      PRO   8 -15.561  10.192  -3.996
   61    H    ASP   9           H        ASP   9 -15.644   6.091  -3.905
   62    HA   ASP   9           HA       ASP   9 -17.743   4.098  -4.535
   63    HB2  ASP   9           HB2      ASP   9 -17.258   5.574  -6.532
   64    HB3  ASP   9           HB3      ASP   9 -15.609   4.934  -6.531
   65    H    VAL  10           H        VAL  10 -15.498   4.425  -2.519
   66    HA   VAL  10           HA       VAL  10 -13.500   2.459  -3.105
   67    HB   VAL  10           HB       VAL  10 -13.090   2.457  -0.669
   68   HG11  VAL  10          HG11      VAL  10 -12.110   4.196  -2.112
   69   HG12  VAL  10          HG12      VAL  10 -13.525   5.235  -1.832
   70   HG13  VAL  10          HG13      VAL  10 -12.451   4.806  -0.477
   71   HG21  VAL  10          HG21      VAL  10 -14.392   3.919   0.811
   72   HG22  VAL  10          HG22      VAL  10 -15.488   4.328  -0.525
   73   HG23  VAL  10          HG23      VAL  10 -15.433   2.664   0.111
   74    H    GLU  11           H        GLU  11 -16.583   1.801  -3.301
   75    HA   GLU  11           HA       GLU  11 -16.377  -0.838  -1.940
   76    HB2  GLU  11           HB2      GLU  11 -18.892   0.841  -2.352
   77    HB3  GLU  11           HB3      GLU  11 -18.787  -0.740  -1.543
   78    HG2  GLU  11           HG2      GLU  11 -17.236   0.272   0.131
   79    HG3  GLU  11           HG3      GLU  11 -17.464   1.848  -0.649
   80    H    GLY  12           H        GLY  12 -15.984   0.507  -4.768
   81    HA2  GLY  12           HA2      GLY  12 -17.214  -1.711  -6.295
   82    HA3  GLY  12           HA3      GLY  12 -17.563  -0.045  -6.789
   83    H    MET  13           H        MET  13 -14.426  -0.595  -5.380
   84    HA   MET  13           HA       MET  13 -13.111  -0.958  -8.018
   85    HB2  MET  13           HB2      MET  13 -12.455   1.251  -6.020
   86    HB3  MET  13           HB3      MET  13 -11.534   0.862  -7.483
   87    HG2  MET  13           HG2      MET  13 -13.585   1.338  -8.841
   88    HG3  MET  13           HG3      MET  13 -14.384   1.891  -7.365
   89    HE1  MET  13           HE1      MET  13 -12.177   5.023  -6.380
   90    HE2  MET  13           HE2      MET  13 -13.516   3.954  -5.909
   91    HE3  MET  13           HE3      MET  13 -11.840   3.348  -5.886
   92    H    THR  14           H        THR  14 -10.669  -1.249  -7.634
   93    HA   THR  14           HA       THR  14 -10.177  -3.343  -5.751
   94    HB   THR  14           HB       THR  14  -8.251  -1.501  -7.233
   95   HG21  THR  14          HG21      THR  14  -6.690  -3.452  -7.060
   96   HG22  THR  14          HG22      THR  14  -7.032  -2.691  -5.497
   97   HG23  THR  14          HG23      THR  14  -7.830  -4.222  -5.930
   98    H    SER  15           H        SER  15  -8.662  -3.272  -3.931
   99    HA   SER  15           HA       SER  15  -8.069  -0.652  -2.716
  100    HB2  SER  15           HB2      SER  15  -9.851  -2.758  -1.418
  101    HB3  SER  15           HB3      SER  15  -9.056  -1.441  -0.532
  102    HG   SER  15           HG       SER  15 -10.872  -1.131  -2.685
  103    H    LEU  16           H        LEU  16  -6.048  -0.766  -1.977
  104    HA   LEU  16           HA       LEU  16  -5.019  -3.421  -1.054
  105    HB2  LEU  16           HB2      LEU  16  -4.151  -2.795  -3.322
  106    HB3  LEU  16           HB3      LEU  16  -3.488  -1.317  -2.606
  107    HG   LEU  16           HG       LEU  16  -2.300  -2.958  -0.913
  108   HD11  LEU  16          HD11      LEU  16  -1.794  -5.139  -1.837
  109   HD12  LEU  16          HD12      LEU  16  -3.566  -4.968  -1.757
  110   HD13  LEU  16          HD13      LEU  16  -2.721  -4.789  -3.310
  111   HD21  LEU  16          HD21      LEU  16  -0.431  -3.237  -2.586
  112   HD22  LEU  16          HD22      LEU  16  -1.540  -2.639  -3.832
  113   HD23  LEU  16          HD23      LEU  16  -1.081  -1.580  -2.473
  114    H    LYS  17           H        LYS  17  -5.178  -3.056   1.119
  115    HA   LYS  17           HA       LYS  17  -4.446  -0.637   2.456
  116    HB2  LYS  17           HB2      LYS  17  -5.937  -2.008   3.530
  117    HB3  LYS  17           HB3      LYS  17  -4.963  -3.482   3.298
  118    HG2  LYS  17           HG2      LYS  17  -3.397  -2.728   5.011
  119    HG3  LYS  17           HG3      LYS  17  -4.208  -1.137   5.098
  120    HD2  LYS  17           HD2      LYS  17  -6.306  -2.245   5.794
  121    HD3  LYS  17           HD3      LYS  17  -5.526  -3.825   5.660
  122    HE2  LYS  17           HE2      LYS  17  -5.668  -3.090   7.996
  123    HE3  LYS  17           HE3      LYS  17  -3.975  -3.227   7.485
  124    HZ1  LYS  17           HZ1      LYS  17  -4.462  -1.232   8.737
  125    HZ2  LYS  17           HZ2      LYS  17  -3.914  -0.858   7.242
  126    HZ3  LYS  17           HZ3      LYS  17  -5.526  -0.725   7.582
  127    H    VAL  18           H        VAL  18  -2.637  -0.106   3.618
  128    HA   VAL  18           HA       VAL  18  -0.198  -1.825   3.411
  129    HB   VAL  18           HB       VAL  18  -0.490   1.171   3.046
  130   HG11  VAL  18          HG11      VAL  18   2.042  -0.511   3.113
  131   HG12  VAL  18          HG12      VAL  18   1.944   1.230   2.744
  132   HG13  VAL  18          HG13      VAL  18   1.509   0.646   4.360
  133   HG21  VAL  18          HG21      VAL  18  -1.024  -0.095   0.992
  134   HG22  VAL  18          HG22      VAL  18   0.480   0.821   0.809
  135   HG23  VAL  18          HG23      VAL  18   0.539  -0.938   1.098
  136    H    ASP  19           H        ASP  19   0.790  -2.054   5.342
  137    HA   ASP  19           HA       ASP  19   0.297  -0.261   7.618
  138    HB2  ASP  19           HB2      ASP  19  -0.692  -1.989   8.998
  139    HB3  ASP  19           HB3      ASP  19  -1.695  -1.733   7.562
  140    H    ASN  20           H        ASN  20   1.108  -1.920   9.628
  141    HA   ASN  20           HA       ASN  20   2.988  -2.221  10.775
  142    HB2  ASN  20           HB2      ASN  20   2.868  -4.405   9.480
  143    HB3  ASN  20           HB3      ASN  20   4.094  -3.736   8.400
  144   HD21  ASN  20          HD22      ASN  20   4.794  -5.981   9.680
  145   HD22  ASN  20          HD21      ASN  20   5.915  -5.646  10.992
  146    H    LEU  21           H        LEU  21   3.803  -0.268  11.096
  147    HA   LEU  21           HA       LEU  21   6.275   0.378   9.628
  148    HB2  LEU  21           HB2      LEU  21   5.578   2.791   9.432
  149    HB3  LEU  21           HB3      LEU  21   4.761   1.658   8.362
  150    HG   LEU  21           HG       LEU  21   2.785   1.626   9.868
  151   HD11  LEU  21          HD11      LEU  21   4.282   3.837  11.338
  152   HD12  LEU  21          HD12      LEU  21   2.551   3.491  11.501
  153   HD13  LEU  21          HD13      LEU  21   3.745   2.280  12.018
  154   HD21  LEU  21          HD21      LEU  21   2.866   3.094   7.940
  155   HD22  LEU  21          HD22      LEU  21   2.042   3.910   9.297
  156   HD23  LEU  21          HD23      LEU  21   3.708   4.352   8.891
  157    H    THR  22           H        THR  22   7.292   2.483  10.777
  158    HA   THR  22           HA       THR  22   7.673   1.509  13.508
  159    HB   THR  22           HB       THR  22   9.548   2.993  13.586
  160   HG21  THR  22          HG21      THR  22   9.350   1.838  10.777
  161   HG22  THR  22          HG22      THR  22  10.840   2.361  11.601
  162   HG23  THR  22          HG23      THR  22   9.917   0.989  12.243
  163    H    TYR  23           H        TYR  23   7.954   3.136  15.295
  164    HA   TYR  23           HA       TYR  23   5.578   4.716  15.632
  165    HB2  TYR  23           HB2      TYR  23   6.620   5.285  17.790
  166    HB3  TYR  23           HB3      TYR  23   6.641   3.548  17.477
  167    HD1  TYR  23           HD1      TYR  23   8.737   2.350  16.996
  168    HD2  TYR  23           HD2      TYR  23   8.689   6.562  17.879
  169    HE1  TYR  23           HE1      TYR  23  11.188   2.297  17.367
  170    HE2  TYR  23           HE2      TYR  23  11.147   6.513  18.241
  171    HH   TYR  23           HH       TYR  23  13.061   3.506  17.914
  172    H    ARG  24           H        ARG  24   7.971   5.364  13.571
  173    HA   ARG  24           HA       ARG  24   7.910   8.302  14.079
  174    HB2  ARG  24           HB2      ARG  24  10.210   6.586  13.052
  175    HB3  ARG  24           HB3      ARG  24  10.201   8.353  13.055
  176    HG2  ARG  24           HG2      ARG  24  10.055   6.589  15.522
  177    HG3  ARG  24           HG3      ARG  24  11.466   7.506  14.957
  178    HD2  ARG  24           HD2      ARG  24  10.080   9.607  15.121
  179    HD3  ARG  24           HD3      ARG  24   8.804   8.641  15.888
  180    HE   ARG  24           HE       ARG  24  11.559   8.722  17.039
  181   HH11  ARG  24          HH11      ARG  24   8.087   9.339  17.382
  182   HH12  ARG  24          HH12      ARG  24   8.204   9.706  19.087
  183   HH21  ARG  24          HH21      ARG  24  11.675   9.206  19.263
  184   HH22  ARG  24          HH22      ARG  24  10.218   9.616  20.146
  185    H    THR  25           H        THR  25   7.133   5.739  11.911
  186    HA   THR  25           HA       THR  25   7.483   7.184   9.442
  187    HB   THR  25           HB       THR  25   5.451   5.005  10.066
  188   HG21  THR  25          HG21      THR  25   6.869   5.886   7.514
  189   HG22  THR  25          HG22      THR  25   5.893   4.405   7.676
  190   HG23  THR  25          HG23      THR  25   5.119   5.984   7.859
  191    H    SER  26           H        SER  26   5.605   7.981   8.095
  192    HA   SER  26           HA       SER  26   3.409   9.146   9.719
  193    HB2  SER  26           HB2      SER  26   5.398  10.697   8.006
  194    HB3  SER  26           HB3      SER  26   3.916  11.384   8.690
  195    HG   SER  26           HG       SER  26   5.775  11.743  10.005
  196    HA   PRO  27           HA       PRO  27   1.123   8.316   6.065
  197    HB2  PRO  27           HB2      PRO  27  -0.720  10.336   5.918
  198    HB3  PRO  27           HB3      PRO  27  -0.763   9.051   7.170
  199    HG2  PRO  27           HG2      PRO  27   0.378  11.851   7.416
  200    HG3  PRO  27           HG3      PRO  27  -0.714  10.990   8.554
  201    HD2  PRO  27           HD2      PRO  27   1.983  11.101   8.923
  202    HD3  PRO  27           HD3      PRO  27   1.051   9.637   9.346
  203    H    ASP  28           H        ASP  28   2.817  11.401   6.351
  204    HA   ASP  28           HA       ASP  28   2.401  12.240   3.618
  205    HB2  ASP  28           HB2      ASP  28   3.064  13.763   5.474
  206    HB3  ASP  28           HB3      ASP  28   4.617  12.909   5.588
  207    H    THR  29           H        THR  29   4.886  10.249   5.319
  208    HA   THR  29           HA       THR  29   6.584  10.056   2.985
  209    HB   THR  29           HB       THR  29   7.101   7.714   4.181
  210   HG21  THR  29          HG21      THR  29   8.687   9.587   3.892
  211   HG22  THR  29          HG22      THR  29   7.947  10.432   5.270
  212   HG23  THR  29          HG23      THR  29   8.810   8.897   5.527
  213    H    LEU  30           H        LEU  30   3.982   7.957   4.375
  214    HA   LEU  30           HA       LEU  30   4.297   5.944   2.434
  215    HB2  LEU  30           HB2      LEU  30   1.748   6.732   3.879
  216    HB3  LEU  30           HB3      LEU  30   2.121   5.165   3.125
  217    HG   LEU  30           HG       LEU  30   3.848   6.338   5.336
  218   HD11  LEU  30          HD11      LEU  30   1.458   6.093   6.068
  219   HD12  LEU  30          HD12      LEU  30   1.525   4.375   5.596
  220   HD13  LEU  30          HD13      LEU  30   2.564   4.990   6.906
  221   HD21  LEU  30          HD21      LEU  30   4.857   4.539   3.986
  222   HD22  LEU  30          HD22      LEU  30   4.508   3.990   5.635
  223   HD23  LEU  30          HD23      LEU  30   3.436   3.514   4.300
  224    H    ARG  31           H        ARG  31   2.538   9.042   2.290
  225    HA   ARG  31           HA       ARG  31   1.080   8.486  -0.106
  226    HB2  ARG  31           HB2      ARG  31   0.516  10.432   1.193
  227    HB3  ARG  31           HB3      ARG  31   2.184  11.035   1.139
  228    HG2  ARG  31           HG2      ARG  31   0.738  12.305  -0.385
  229    HG3  ARG  31           HG3      ARG  31   2.005  11.448  -1.265
  230    HD2  ARG  31           HD2      ARG  31   0.309   9.592  -1.699
  231    HD3  ARG  31           HD3      ARG  31  -0.936  10.670  -1.034
  232    HE   ARG  31           HE       ARG  31   0.571  10.952  -3.566
  233   HH11  ARG  31          HH11      ARG  31  -1.828  12.367  -1.375
  234   HH12  ARG  31          HH12      ARG  31  -2.424  13.473  -2.592
  235   HH21  ARG  31          HH21      ARG  31  -0.216  12.346  -5.078
  236   HH22  ARG  31          HH22      ARG  31  -1.519  13.460  -4.708
  237    H    ARG  32           H        ARG  32   4.420   9.778   0.394
  238    HA   ARG  32           HA       ARG  32   4.705  10.048  -2.529
  239    HB2  ARG  32           HB2      ARG  32   5.615  11.738  -0.943
  240    HB3  ARG  32           HB3      ARG  32   6.662  10.504  -0.226
  241    HG2  ARG  32           HG2      ARG  32   7.785  10.199  -2.424
  242    HG3  ARG  32           HG3      ARG  32   6.747  11.470  -3.117
  243    HD2  ARG  32           HD2      ARG  32   7.628  13.077  -1.449
  244    HD3  ARG  32           HD3      ARG  32   8.676  11.802  -0.788
  245    HE   ARG  32           HE       ARG  32   9.146  12.049  -3.594
  246   HH11  ARG  32          HH11      ARG  32   9.700  13.820  -0.585
  247   HH12  ARG  32          HH12      ARG  32  11.133  14.623  -1.185
  248   HH21  ARG  32          HH21      ARG  32  11.006  13.120  -4.353
  249   HH22  ARG  32          HH22      ARG  32  11.871  14.223  -3.312
  250    H    VAL  33           H        VAL  33   6.109   8.033   0.058
  251    HA   VAL  33           HA       VAL  33   8.019   6.696  -1.573
  252    HB   VAL  33           HB       VAL  33   8.239   5.149   0.313
  253   HG11  VAL  33          HG11      VAL  33   8.550   6.719   2.162
  254   HG12  VAL  33          HG12      VAL  33   9.206   7.329   0.628
  255   HG13  VAL  33          HG13      VAL  33   7.685   7.982   1.255
  256   HG21  VAL  33          HG21      VAL  33   6.575   5.350   2.196
  257   HG22  VAL  33          HG22      VAL  33   5.493   6.101   0.966
  258   HG23  VAL  33          HG23      VAL  33   6.121   4.458   0.722
  259    H    PHE  34           H        PHE  34   4.534   6.180  -1.167
  260    HA   PHE  34           HA       PHE  34   4.748   3.665  -2.750
  261    HB2  PHE  34           HB2      PHE  34   2.572   4.926  -1.092
  262    HB3  PHE  34           HB3      PHE  34   2.216   3.674  -2.268
  263    HD1  PHE  34           HD2      PHE  34   3.882   4.350   0.960
  264    HD2  PHE  34           HD1      PHE  34   2.850   1.363  -1.965
  265    HE1  PHE  34           HE2      PHE  34   4.467   2.559   2.571
  266    HE2  PHE  34           HE1      PHE  34   3.375  -0.412  -0.333
  267    HZ   PHE  34           HZ       PHE  34   4.198   0.181   1.937
  268    H    GLU  35           H        GLU  35   3.971   7.067  -3.171
  269    HA   GLU  35           HA       GLU  35   2.074   6.772  -5.275
  270    HB2  GLU  35           HB2      GLU  35   2.302   8.874  -4.187
  271    HB3  GLU  35           HB3      GLU  35   4.038   8.988  -4.585
  272    HG2  GLU  35           HG2      GLU  35   3.501   9.299  -6.922
  273    HG3  GLU  35           HG3      GLU  35   1.790   8.928  -6.624
  274    H    LYS  36           H        LYS  36   5.555   6.332  -5.197
  275    HA   LYS  36           HA       LYS  36   6.051   6.772  -7.985
  276    HB2  LYS  36           HB2      LYS  36   8.208   5.803  -7.543
  277    HB3  LYS  36           HB3      LYS  36   7.723   6.771  -6.127
  278    HG2  LYS  36           HG2      LYS  36   7.021   4.721  -4.952
  279    HG3  LYS  36           HG3      LYS  36   7.477   3.748  -6.363
  280    HD2  LYS  36           HD2      LYS  36   9.245   3.653  -4.694
  281    HD3  LYS  36           HD3      LYS  36   9.828   4.533  -6.122
  282    HE2  LYS  36           HE2      LYS  36   9.376   6.689  -4.970
  283    HE3  LYS  36           HE3      LYS  36   8.765   5.805  -3.565
  284    HZ1  LYS  36           HZ1      LYS  36  11.040   6.461  -3.263
  285    HZ2  LYS  36           HZ2      LYS  36  10.946   4.820  -3.319
  286    HZ3  LYS  36           HZ3      LYS  36  11.516   5.654  -4.609
  287    H    TYR  37           H        TYR  37   4.589   4.178  -6.248
  288    HA   TYR  37           HA       TYR  37   5.108   2.120  -8.259
  289    HB2  TYR  37           HB2      TYR  37   3.254   2.227  -5.855
  290    HB3  TYR  37           HB3      TYR  37   3.480   0.809  -6.880
  291    HD1  TYR  37           HD1      TYR  37   5.364   3.181  -4.693
  292    HD2  TYR  37           HD2      TYR  37   5.221  -0.707  -6.513
  293    HE1  TYR  37           HE1      TYR  37   7.378   2.522  -3.415
  294    HE2  TYR  37           HE2      TYR  37   7.214  -1.394  -5.213
  295    HH   TYR  37           HH       TYR  37   8.899   0.841  -2.978
  296    H    GLY  38           H        GLY  38   2.934   4.769  -7.989
  297    HA2  GLY  38           HA2      GLY  38   1.877   4.651 -10.491
  298    HA3  GLY  38           HA3      GLY  38   0.795   3.564  -9.584
  299    H    ARG  39           H        ARG  39  -0.378   4.327  -7.811
  300    HA   ARG  39           HA       ARG  39  -0.275   7.108  -6.998
  301    HB2  ARG  39           HB2      ARG  39  -2.518   7.731  -7.634
  302    HB3  ARG  39           HB3      ARG  39  -1.682   7.177  -9.091
  303    HG2  ARG  39           HG2      ARG  39  -2.778   4.872  -8.636
  304    HG3  ARG  39           HG3      ARG  39  -3.787   5.727  -7.454
  305    HD2  ARG  39           HD2      ARG  39  -5.010   5.623  -9.523
  306    HD3  ARG  39           HD3      ARG  39  -4.515   7.299  -9.253
  307    HE   ARG  39           HE       ARG  39  -3.305   7.213 -11.217
  308   HH11  ARG  39          HH11      ARG  39  -3.829   3.892 -10.090
  309   HH12  ARG  39          HH12      ARG  39  -2.938   3.184 -11.412
  310   HH21  ARG  39          HH21      ARG  39  -2.226   6.236 -12.987
  311   HH22  ARG  39          HH22      ARG  39  -2.099   4.497 -13.078
  312    H    VAL  40           H        VAL  40  -0.555   7.002  -4.835
  313    HA   VAL  40           HA       VAL  40  -1.165   4.590  -3.515
  314    HB   VAL  40           HB       VAL  40  -1.302   5.844  -1.474
  315   HG11  VAL  40          HG11      VAL  40   0.745   7.165  -3.297
  316   HG12  VAL  40          HG12      VAL  40   0.858   6.935  -1.540
  317   HG13  VAL  40          HG13      VAL  40   0.905   5.527  -2.628
  318   HG21  VAL  40          HG21      VAL  40  -2.762   7.710  -2.232
  319   HG22  VAL  40          HG22      VAL  40  -1.332   8.273  -1.372
  320   HG23  VAL  40          HG23      VAL  40  -1.394   8.385  -3.151
  321    H    GLY  41           H        GLY  41  -3.309   6.934  -4.905
  322    HA2  GLY  41           HA2      GLY  41  -5.560   6.836  -5.309
  323    HA3  GLY  41           HA3      GLY  41  -5.600   5.247  -4.519
  324    H    ASP  42           H        ASP  42  -4.855   5.722  -1.963
  325    HA   ASP  42           HA       ASP  42  -6.167   8.066  -0.815
  326    HB2  ASP  42           HB2      ASP  42  -8.043   6.476  -1.192
  327    HB3  ASP  42           HB3      ASP  42  -7.158   5.225  -0.311
  328    H    VAL  43           H        VAL  43  -5.705   8.137   1.537
  329    HA   VAL  43           HA       VAL  43  -3.569   6.346   2.502
  330    HB   VAL  43           HB       VAL  43  -2.235   7.847   1.271
  331   HG11  VAL  43          HG11      VAL  43  -2.359  10.308   1.469
  332   HG12  VAL  43          HG12      VAL  43  -3.843   9.627   0.781
  333   HG13  VAL  43          HG13      VAL  43  -3.821  10.144   2.479
  334   HG21  VAL  43          HG21      VAL  43  -1.451   7.411   3.579
  335   HG22  VAL  43          HG22      VAL  43  -0.915   8.984   2.968
  336   HG23  VAL  43          HG23      VAL  43  -2.271   8.891   4.124
  337    H    TYR  44           H        TYR  44  -4.208   5.804   4.496
  338    HA   TYR  44           HA       TYR  44  -5.185   7.970   6.272
  339    HB2  TYR  44           HB2      TYR  44  -7.098   6.788   5.064
  340    HB3  TYR  44           HB3      TYR  44  -6.733   5.408   6.112
  341    HD1  TYR  44           HD2      TYR  44  -6.870   9.156   6.465
  342    HD2  TYR  44           HD1      TYR  44  -8.161   5.349   8.000
  343    HE1  TYR  44           HE2      TYR  44  -8.073  10.309   8.289
  344    HE2  TYR  44           HE1      TYR  44  -9.440   6.503   9.786
  345    HH   TYR  44           HH       TYR  44  -9.961   8.532  10.749
  346    H    ILE  45           H        ILE  45  -5.183   7.464   8.486
  347    HA   ILE  45           HA       ILE  45  -3.917   4.972   9.420
  348    HB   ILE  45           HB       ILE  45  -2.898   7.752  10.135
  349   HG12  ILE  45          HG12      ILE  45  -1.457   5.371   8.881
  350   HG13  ILE  45          HG13      ILE  45  -1.997   6.815   7.990
  351   HG21  ILE  45          HG21      ILE  45  -2.159   4.990  11.202
  352   HG22  ILE  45          HG22      ILE  45  -1.385   6.523  11.681
  353   HG23  ILE  45          HG23      ILE  45  -3.075   6.209  12.099
  354   HD11  ILE  45          HD11      ILE  45   0.084   6.699  10.212
  355   HD12  ILE  45          HD12      ILE  45   0.351   7.059   8.499
  356   HD13  ILE  45          HD13      ILE  45  -0.558   8.207   9.499
  357    HA   PRO  46           HA       PRO  46  -7.680   6.290  11.634
  358    HB2  PRO  46           HB2      PRO  46  -8.776   3.852  12.037
  359    HB3  PRO  46           HB3      PRO  46  -8.644   4.573  10.381
  360    HG2  PRO  46           HG2      PRO  46  -6.760   2.596  11.681
  361    HG3  PRO  46           HG3      PRO  46  -7.570   2.452  10.076
  362    HD2  PRO  46           HD2      PRO  46  -5.038   3.460  10.355
  363    HD3  PRO  46           HD3      PRO  46  -6.187   4.090   9.125
  364    H    ARG  47           H        ARG  47  -4.903   5.561  12.832
  365    HA   ARG  47           HA       ARG  47  -4.751   3.972  14.943
  366    HB2  ARG  47           HB2      ARG  47  -3.356   5.815  16.045
  367    HB3  ARG  47           HB3      ARG  47  -2.934   5.284  14.404
  368    HG2  ARG  47           HG2      ARG  47  -4.181   7.274  13.492
  369    HG3  ARG  47           HG3      ARG  47  -4.387   7.853  15.149
  370    HD2  ARG  47           HD2      ARG  47  -1.992   8.044  15.445
  371    HD3  ARG  47           HD3      ARG  47  -1.677   7.148  13.954
  372    HE   ARG  47           HE       ARG  47  -3.125   9.275  13.041
  373   HH11  ARG  47          HH11      ARG  47  -0.275   9.035  15.117
  374   HH12  ARG  47          HH12      ARG  47   0.415  10.536  14.547
  375   HH21  ARG  47          HH21      ARG  47  -2.211  11.229  12.323
  376   HH22  ARG  47          HH22      ARG  47  -0.693  11.791  12.980
  377    H    ASP  48           H        ASP  48  -5.921   7.336  15.705
  378    HA   ASP  48           HA       ASP  48  -8.280   6.234  16.992
  379    HB2  ASP  48           HB2      ASP  48  -6.562   5.920  18.778
  380    HB3  ASP  48           HB3      ASP  48  -6.180   7.648  18.689
  381    H    ARG  49           H        ARG  49  -9.886   7.738  16.708
  382    HA   ARG  49           HA       ARG  49  -9.183  10.095  15.212
  383    HB2  ARG  49           HB2      ARG  49 -11.498  10.332  14.802
  384    HB3  ARG  49           HB3      ARG  49 -11.164   8.592  14.792
  385    HG2  ARG  49           HG2      ARG  49 -11.987   8.470  17.163
  386    HG3  ARG  49           HG3      ARG  49 -12.383  10.197  17.086
  387    HD2  ARG  49           HD2      ARG  49 -13.546   8.038  15.278
  388    HD3  ARG  49           HD3      ARG  49 -14.359   8.765  16.657
  389    HE   ARG  49           HE       ARG  49 -13.640  10.153  14.100
  390   HH11  ARG  49          HH11      ARG  49 -15.501  10.101  17.117
  391   HH12  ARG  49          HH12      ARG  49 -16.506  11.453  16.636
  392   HH21  ARG  49          HH21      ARG  49 -14.916  11.916  13.550
  393   HH22  ARG  49          HH22      ARG  49 -16.157  12.492  14.639
  394    H    TYR  50           H        TYR  50  -8.728   9.825  18.390
  395    HA   TYR  50           HA       TYR  50  -9.570  12.649  18.877
  396    HB2  TYR  50           HB2      TYR  50  -9.762  10.483  20.978
  397    HB3  TYR  50           HB3      TYR  50 -10.370  12.130  21.070
  398    HD1  TYR  50           HD2      TYR  50 -12.327  12.728  19.393
  399    HD2  TYR  50           HD1      TYR  50 -11.115   8.732  20.426
  400    HE1  TYR  50           HE2      TYR  50 -14.585  11.890  18.789
  401    HE2  TYR  50           HE1      TYR  50 -13.354   7.881  19.823
  402    HH   TYR  50           HH       TYR  50 -15.448   8.421  19.072
  403    H    THR  51           H        THR  51  -7.253  10.043  19.361
  404    HA   THR  51           HA       THR  51  -5.551  11.916  20.959
  405    HB   THR  51           HB       THR  51  -4.910  10.106  22.412
  406   HG21  THR  51          HG21      THR  51  -7.946  10.103  22.167
  407   HG22  THR  51          HG22      THR  51  -6.991   9.710  23.612
  408   HG23  THR  51          HG23      THR  51  -6.999  11.375  22.976
  409    H    LYS  52           H        LYS  52  -5.849   9.776  18.311
  410    HA   LYS  52           HA       LYS  52  -4.431   8.811  16.888
  411    HB2  LYS  52           HB2      LYS  52  -3.044  11.476  17.357
  412    HB3  LYS  52           HB3      LYS  52  -2.776  10.431  15.948
  413    HG2  LYS  52           HG2      LYS  52  -5.190  10.571  15.375
  414    HG3  LYS  52           HG3      LYS  52  -5.444  11.673  16.736
  415    HD2  LYS  52           HD2      LYS  52  -3.620  12.155  14.342
  416    HD3  LYS  52           HD3      LYS  52  -5.204  12.897  14.598
  417    HE2  LYS  52           HE2      LYS  52  -2.778  13.255  16.403
  418    HE3  LYS  52           HE3      LYS  52  -3.331  14.412  15.185
  419    HZ1  LYS  52           HZ1      LYS  52  -4.115  14.994  17.358
  420    HZ2  LYS  52           HZ2      LYS  52  -5.388  14.634  16.390
  421    HZ3  LYS  52           HZ3      LYS  52  -4.896  13.557  17.530
  422    H    GLU  53           H        GLU  53  -3.794   7.704  19.405
  423    HA   GLU  53           HA       GLU  53  -0.876   7.981  19.800
  424    HB2  GLU  53           HB2      GLU  53  -2.929   6.252  21.241
  425    HB3  GLU  53           HB3      GLU  53  -1.250   6.532  21.758
  426    HG2  GLU  53           HG2      GLU  53  -1.747   8.975  21.893
  427    HG3  GLU  53           HG3      GLU  53  -3.434   8.608  21.496
  428    H    SER  54           H        SER  54  -3.070   5.776  18.266
  429    HA   SER  54           HA       SER  54  -1.308   3.454  18.474
  430    HB2  SER  54           HB2      SER  54  -3.864   3.847  16.876
  431    HB3  SER  54           HB3      SER  54  -3.050   2.297  17.198
  432    HG   SER  54           HG       SER  54  -4.751   2.746  18.674
  433    H    ARG  55           H        ARG  55   0.048   5.577  17.262
  434    HA   ARG  55           HA       ARG  55   0.038   5.687  14.453
  435    HB2  ARG  55           HB2      ARG  55   1.076   7.258  16.108
  436    HB3  ARG  55           HB3      ARG  55   2.356   6.070  16.390
  437    HG2  ARG  55           HG2      ARG  55   3.071   6.278  14.016
  438    HG3  ARG  55           HG3      ARG  55   1.723   7.404  13.714
  439    HD2  ARG  55           HD2      ARG  55   2.662   8.962  15.378
  440    HD3  ARG  55           HD3      ARG  55   3.986   7.815  15.705
  441    HE   ARG  55           HE       ARG  55   3.989   8.354  12.928
  442   HH11  ARG  55          HH11      ARG  55   4.586  10.054  15.971
  443   HH12  ARG  55          HH12      ARG  55   5.709  11.181  15.246
  444   HH21  ARG  55          HH21      ARG  55   5.434   9.842  12.014
  445   HH22  ARG  55          HH22      ARG  55   6.186  11.061  13.010
  446    H    GLY  56           H        GLY  56   0.611   2.889  16.135
  447    HA2  GLY  56           HA2      GLY  56   3.067   1.956  15.008
  448    HA3  GLY  56           HA3      GLY  56   1.817   0.984  15.791
  449    H    PHE  57           H        PHE  57   0.200   2.534  13.265
  450    HA   PHE  57           HA       PHE  57   1.095   0.724  11.148
  451    HB2  PHE  57           HB2      PHE  57  -0.911  -0.549  10.986
  452    HB3  PHE  57           HB3      PHE  57  -0.384  -0.651  12.670
  453    HD1  PHE  57           HD2      PHE  57  -1.505   0.992  14.362
  454    HD2  PHE  57           HD1      PHE  57  -3.037   0.180  10.429
  455    HE1  PHE  57           HE2      PHE  57  -3.712   1.858  15.046
  456    HE2  PHE  57           HE1      PHE  57  -5.239   1.068  11.097
  457    HZ   PHE  57           HZ       PHE  57  -5.593   1.901  13.428
  458    H    ALA  58           H        ALA  58  -0.809   0.771   9.377
  459    HA   ALA  58           HA       ALA  58  -1.984   3.437   9.072
  460    HB1  ALA  58           HB1      ALA  58   0.186   2.384   7.206
  461    HB2  ALA  58           HB2      ALA  58  -0.821   3.811   6.886
  462    HB3  ALA  58           HB3      ALA  58   0.299   3.823   8.255
  463    H    PHE  59           H        PHE  59  -2.839   3.529   6.671
  464    HA   PHE  59           HA       PHE  59  -3.848   0.984   5.595
  465    HB2  PHE  59           HB2      PHE  59  -5.334   1.769   7.526
  466    HB3  PHE  59           HB3      PHE  59  -5.784   3.131   6.506
  467    HD1  PHE  59           HD1      PHE  59  -5.550   1.106   3.898
  468    HD2  PHE  59           HD2      PHE  59  -7.700   1.153   7.633
  469    HE1  PHE  59           HE1      PHE  59  -7.280  -0.349   2.926
  470    HE2  PHE  59           HE2      PHE  59  -9.413  -0.320   6.656
  471    HZ   PHE  59           HZ       PHE  59  -9.186  -1.123   4.309
  472    H    VAL  60           H        VAL  60  -2.060   2.361   4.201
  473    HA   VAL  60           HA       VAL  60  -3.312   4.388   2.514
  474    HB   VAL  60           HB       VAL  60  -1.071   2.487   1.705
  475   HG11  VAL  60          HG11      VAL  60  -1.753   5.315   0.842
  476   HG12  VAL  60          HG12      VAL  60  -0.380   4.345   0.270
  477   HG13  VAL  60          HG13      VAL  60  -2.036   3.841  -0.118
  478   HG21  VAL  60          HG21      VAL  60  -0.859   5.153   3.163
  479   HG22  VAL  60          HG22      VAL  60  -0.448   3.561   3.846
  480   HG23  VAL  60          HG23      VAL  60   0.490   4.201   2.483
  481    H    ARG  61           H        ARG  61  -4.272   3.946   0.315
  482    HA   ARG  61           HA       ARG  61  -5.027   1.105  -0.127
  483    HB2  ARG  61           HB2      ARG  61  -6.746   1.747   1.353
  484    HB3  ARG  61           HB3      ARG  61  -6.936   3.332   0.586
  485    HG2  ARG  61           HG2      ARG  61  -7.862   2.320  -1.432
  486    HG3  ARG  61           HG3      ARG  61  -7.512   0.685  -0.820
  487    HD2  ARG  61           HD2      ARG  61  -9.915   1.431  -0.603
  488    HD3  ARG  61           HD3      ARG  61  -9.146   0.885   0.897
  489    HE   ARG  61           HE       ARG  61  -8.825   3.713   0.669
  490   HH11  ARG  61          HH11      ARG  61 -11.408   1.360   1.070
  491   HH12  ARG  61          HH12      ARG  61 -12.251   2.301   2.285
  492   HH21  ARG  61          HH21      ARG  61  -9.984   4.992   2.143
  493   HH22  ARG  61          HH22      ARG  61 -11.484   4.419   2.825
  494    H    PHE  62           H        PHE  62  -4.192   0.882  -2.100
  495    HA   PHE  62           HA       PHE  62  -4.446   2.905  -4.187
  496    HB2  PHE  62           HB2      PHE  62  -3.773  -0.062  -4.307
  497    HB3  PHE  62           HB3      PHE  62  -3.703   1.046  -5.673
  498    HD1  PHE  62           HD1      PHE  62  -2.245   0.531  -2.245
  499    HD2  PHE  62           HD2      PHE  62  -1.761   2.246  -6.159
  500    HE1  PHE  62           HE1      PHE  62   0.118   1.043  -1.728
  501    HE2  PHE  62           HE2      PHE  62   0.615   2.736  -5.649
  502    HZ   PHE  62           HZ       PHE  62   1.562   2.121  -3.452
  503    H    HIS  63           H        HIS  63  -5.614   2.388  -6.283
  504    HA   HIS  63           HA       HIS  63  -8.196   0.998  -5.750
  505    HB2  HIS  63           HB2      HIS  63  -7.853   3.636  -7.213
  506    HB3  HIS  63           HB3      HIS  63  -9.368   2.769  -6.945
  507    HD2  HIS  63           HD2      HIS  63  -7.560   5.590  -5.641
  508    HE1  HIS  63           HE1      HIS  63  -9.645   4.169  -2.211
  509    HE2  HIS  63           HE2      HIS  63  -8.348   6.130  -3.187
  510    H    ASP  64           H        ASP  64  -5.483   0.821  -7.591
  511    HA   ASP  64           HA       ASP  64  -7.037  -0.370  -9.839
  512    HB2  ASP  64           HB2      ASP  64  -6.043   1.878 -10.448
  513    HB3  ASP  64           HB3      ASP  64  -4.439   1.174 -10.180
  514    H    LYS  65           H        LYS  65  -6.419  -2.363 -10.397
  515    HA   LYS  65           HA       LYS  65  -4.941  -3.814  -8.447
  516    HB2  LYS  65           HB2      LYS  65  -5.410  -5.754  -9.825
  517    HB3  LYS  65           HB3      LYS  65  -6.838  -4.712  -9.717
  518    HG2  LYS  65           HG2      LYS  65  -6.282  -3.767 -11.969
  519    HG3  LYS  65           HG3      LYS  65  -4.878  -4.845 -12.061
  520    HD2  LYS  65           HD2      LYS  65  -6.743  -5.802 -13.307
  521    HD3  LYS  65           HD3      LYS  65  -6.384  -6.812 -11.888
  522    HE2  LYS  65           HE2      LYS  65  -8.234  -5.750 -10.656
  523    HE3  LYS  65           HE3      LYS  65  -8.571  -4.698 -12.044
  524    HZ1  LYS  65           HZ1      LYS  65 -10.024  -6.610 -11.993
  525    HZ2  LYS  65           HZ2      LYS  65  -9.081  -6.657 -13.330
  526    HZ3  LYS  65           HZ3      LYS  65  -8.739  -7.637 -12.053
  527    H    ARG  66           H        ARG  66  -3.909  -2.401 -11.560
  528    HA   ARG  66           HA       ARG  66  -1.689  -4.228 -11.813
  529    HB2  ARG  66           HB2      ARG  66  -1.079  -2.943 -13.713
  530    HB3  ARG  66           HB3      ARG  66  -2.851  -2.918 -13.651
  531    HG2  ARG  66           HG2      ARG  66  -2.564  -0.649 -12.392
  532    HG3  ARG  66           HG3      ARG  66  -0.883  -0.717 -12.961
  533    HD2  ARG  66           HD2      ARG  66  -2.095   0.558 -14.570
  534    HD3  ARG  66           HD3      ARG  66  -1.811  -1.031 -15.312
  535    HE   ARG  66           HE       ARG  66  -4.346  -0.717 -13.846
  536   HH11  ARG  66          HH11      ARG  66  -2.743  -0.500 -16.995
  537   HH12  ARG  66          HH12      ARG  66  -4.233  -0.625 -17.892
  538   HH21  ARG  66          HH21      ARG  66  -6.267  -0.897 -15.032
  539   HH22  ARG  66          HH22      ARG  66  -6.230  -0.862 -16.781
  540    H    ASP  67           H        ASP  67  -2.069  -0.905 -10.537
  541    HA   ASP  67           HA       ASP  67   0.741  -0.659  -9.866
  542    HB2  ASP  67           HB2      ASP  67  -1.699   0.922  -8.962
  543    HB3  ASP  67           HB3      ASP  67  -0.015   1.427  -8.787
  544    H    ALA  68           H        ALA  68  -2.165  -1.944  -8.361
  545    HA   ALA  68           HA       ALA  68  -1.132  -1.850  -5.660
  546    HB1  ALA  68           HB1      ALA  68  -3.145  -3.284  -5.207
  547    HB2  ALA  68           HB2      ALA  68  -3.540  -1.800  -6.102
  548    HB3  ALA  68           HB3      ALA  68  -3.449  -3.361  -6.952
  549    H    GLU  69           H        GLU  69  -1.318  -4.346  -8.270
  550    HA   GLU  69           HA       GLU  69  -0.380  -6.462  -6.566
  551    HB2  GLU  69           HB2      GLU  69  -0.458  -6.094  -9.578
  552    HB3  GLU  69           HB3      GLU  69   0.223  -7.541  -8.804
  553    HG2  GLU  69           HG2      GLU  69  -1.906  -7.949  -7.632
  554    HG3  GLU  69           HG3      GLU  69  -2.623  -6.536  -8.416
  555    H    ASP  70           H        ASP  70   1.279  -3.972  -8.550
  556    HA   ASP  70           HA       ASP  70   3.900  -5.160  -8.138
  557    HB2  ASP  70           HB2      ASP  70   2.944  -2.370  -8.877
  558    HB3  ASP  70           HB3      ASP  70   4.651  -2.817  -8.727
  559    H    ALA  71           H        ALA  71   1.894  -2.734  -6.424
  560    HA   ALA  71           HA       ALA  71   3.939  -1.729  -4.749
  561    HB1  ALA  71           HB1      ALA  71   2.051  -0.951  -3.335
  562    HB2  ALA  71           HB2      ALA  71   1.777  -0.612  -5.058
  563    HB3  ALA  71           HB3      ALA  71   0.941  -1.976  -4.269
  564    H    MET  72           H        MET  72   1.883  -4.646  -4.442
  565    HA   MET  72           HA       MET  72   2.922  -5.069  -1.718
  566    HB2  MET  72           HB2      MET  72   1.411  -6.925  -1.588
  567    HB3  MET  72           HB3      MET  72   0.544  -5.598  -2.388
  568    HG2  MET  72           HG2      MET  72   1.221  -6.588  -4.583
  569    HG3  MET  72           HG3      MET  72   1.859  -7.991  -3.716
  570    HE1  MET  72           HE1      MET  72   0.490  -9.727  -5.034
  571    HE2  MET  72           HE2      MET  72  -1.227  -9.506  -5.450
  572    HE3  MET  72           HE3      MET  72  -0.006  -8.361  -6.055
  573    H    ASP  73           H        ASP  73   3.528  -6.184  -5.026
  574    HA   ASP  73           HA       ASP  73   5.066  -8.503  -4.297
  575    HB2  ASP  73           HB2      ASP  73   4.012  -8.161  -6.503
  576    HB3  ASP  73           HB3      ASP  73   5.098  -6.797  -6.816
  577    H    ALA  74           H        ALA  74   5.708  -5.163  -3.951
  578    HA   ALA  74           HA       ALA  74   8.631  -5.752  -3.737
  579    HB1  ALA  74           HB1      ALA  74   8.983  -3.431  -4.597
  580    HB2  ALA  74           HB2      ALA  74   8.155  -4.479  -5.778
  581    HB3  ALA  74           HB3      ALA  74   7.212  -3.314  -4.825
  582    H    MET  75           H        MET  75   5.846  -4.627  -2.077
  583    HA   MET  75           HA       MET  75   7.655  -3.440   0.005
  584    HB2  MET  75           HB2      MET  75   4.733  -2.902  -0.516
  585    HB3  MET  75           HB3      MET  75   5.652  -2.236   0.825
  586    HG2  MET  75           HG2      MET  75   6.425  -1.734  -2.077
  587    HG3  MET  75           HG3      MET  75   5.300  -0.722  -1.190
  588    HE1  MET  75           HE1      MET  75   6.095   1.501  -0.082
  589    HE2  MET  75           HE2      MET  75   7.698   1.980  -0.655
  590    HE3  MET  75           HE3      MET  75   6.518   1.274  -1.790
  591    H    ASP  76           H        ASP  76   5.135  -5.950  -0.595
  592    HA   ASP  76           HA       ASP  76   4.540  -6.263   2.191
  593    HB2  ASP  76           HB2      ASP  76   3.095  -7.160   0.397
  594    HB3  ASP  76           HB3      ASP  76   4.381  -8.291  -0.071
  595    H    GLY  77           H        GLY  77   5.727  -7.103   3.775
  596    HA2  GLY  77           HA2      GLY  77   7.212  -8.487   4.877
  597    HA3  GLY  77           HA3      GLY  77   7.578  -9.302   3.349
  598    H    ALA  78           H        ALA  78   7.932  -6.022   2.766
  599    HA   ALA  78           HA       ALA  78  10.811  -6.182   2.652
  600    HB1  ALA  78           HB1      ALA  78   8.902  -3.832   2.317
  601    HB2  ALA  78           HB2      ALA  78  10.610  -3.859   1.832
  602    HB3  ALA  78           HB3      ALA  78   9.447  -4.934   1.028
  603    H    VAL  79           H        VAL  79  11.813  -3.814   3.446
  604    HA   VAL  79           HA       VAL  79  11.287  -3.589   6.375
  605    HB   VAL  79           HB       VAL  79  13.990  -3.951   5.009
  606   HG11  VAL  79          HG11      VAL  79  14.185  -2.379   6.862
  607   HG12  VAL  79          HG12      VAL  79  13.289  -3.479   7.933
  608   HG13  VAL  79          HG13      VAL  79  14.891  -3.943   7.311
  609   HG21  VAL  79          HG21      VAL  79  14.128  -6.000   6.389
  610   HG22  VAL  79          HG22      VAL  79  12.451  -5.737   6.937
  611   HG23  VAL  79          HG23      VAL  79  12.789  -6.079   5.231
  612    H    LEU  80           H        LEU  80  11.620  -1.550   7.194
  613    HA   LEU  80           HA       LEU  80  12.174   0.620   5.206
  614    HB2  LEU  80           HB2      LEU  80   9.975   0.808   6.123
  615    HB3  LEU  80           HB3      LEU  80  10.548   0.462   7.759
  616    HG   LEU  80           HG       LEU  80  11.767   2.607   7.819
  617   HD11  LEU  80          HD11      LEU  80  11.384   4.275   6.036
  618   HD12  LEU  80          HD12      LEU  80  12.272   2.870   5.430
  619   HD13  LEU  80          HD13      LEU  80  10.536   3.049   5.066
  620   HD21  LEU  80          HD21      LEU  80   8.859   2.839   6.974
  621   HD22  LEU  80          HD22      LEU  80   9.460   2.433   8.601
  622   HD23  LEU  80          HD23      LEU  80   9.787   4.039   7.911
  623    H    ASP  81           H        ASP  81  12.558  -0.059   8.730
  624    HA   ASP  81           HA       ASP  81  15.249   1.213   8.549
  625    HB2  ASP  81           HB2      ASP  81  13.568   2.789   9.453
  626    HB3  ASP  81           HB3      ASP  81  13.193   1.636  10.741
  627    H    GLY  82           H        GLY  82  13.500  -1.569   9.355
  628    HA2  GLY  82           HA2      GLY  82  15.475  -3.228   9.978
  629    HA3  GLY  82           HA3      GLY  82  15.299  -2.398  11.544
  630    H    ARG  83           H        ARG  83  12.262  -2.153  10.675
  631    HA   ARG  83           HA       ARG  83  11.431  -4.760  11.821
  632    HB2  ARG  83           HB2      ARG  83   9.271  -3.726  12.104
  633    HB3  ARG  83           HB3      ARG  83  10.523  -2.688  12.790
  634    HG2  ARG  83           HG2      ARG  83  10.376  -1.130  10.987
  635    HG3  ARG  83           HG3      ARG  83   9.463  -2.258   9.969
  636    HD2  ARG  83           HD2      ARG  83   8.030  -0.494  11.007
  637    HD3  ARG  83           HD3      ARG  83   7.540  -2.155  11.375
  638    HE   ARG  83           HE       ARG  83   9.216  -0.605  13.300
  639   HH11  ARG  83          HH11      ARG  83   6.225  -2.388  12.585
  640   HH12  ARG  83          HH12      ARG  83   5.720  -2.401  14.256
  641   HH21  ARG  83          HH21      ARG  83   8.504  -0.651  15.457
  642   HH22  ARG  83          HH22      ARG  83   6.991  -1.422  15.865
  643    H    GLU  84           H        GLU  84   8.848  -4.715  10.636
  644    HA   GLU  84           HA       GLU  84   9.526  -5.624   7.864
  645    HB2  GLU  84           HB2      GLU  84   7.523  -6.670   9.897
  646    HB3  GLU  84           HB3      GLU  84   7.532  -7.143   8.188
  647    HG2  GLU  84           HG2      GLU  84   9.896  -7.916   8.456
  648    HG3  GLU  84           HG3      GLU  84   9.807  -7.494  10.179
  649    H    LEU  85           H        LEU  85   7.612  -5.547   6.394
  650    HA   LEU  85           HA       LEU  85   5.798  -3.237   6.937
  651    HB2  LEU  85           HB2      LEU  85   7.383  -3.825   4.402
  652    HB3  LEU  85           HB3      LEU  85   6.154  -2.556   4.572
  653    HG   LEU  85           HG       LEU  85   8.799  -2.695   6.085
  654   HD11  LEU  85          HD11      LEU  85   9.355  -0.737   4.690
  655   HD12  LEU  85          HD12      LEU  85   9.005  -2.156   3.678
  656   HD13  LEU  85          HD13      LEU  85   7.786  -0.873   3.869
  657   HD21  LEU  85          HD21      LEU  85   6.599  -0.590   6.066
  658   HD22  LEU  85          HD22      LEU  85   7.100  -1.587   7.455
  659   HD23  LEU  85          HD23      LEU  85   8.212  -0.379   6.788
  660    H    ARG  86           H        ARG  86   3.794  -3.368   5.670
  661    HA   ARG  86           HA       ARG  86   3.224  -6.059   4.552
  662    HB2  ARG  86           HB2      ARG  86   1.910  -4.721   6.931
  663    HB3  ARG  86           HB3      ARG  86   1.014  -5.879   5.953
  664    HG2  ARG  86           HG2      ARG  86   3.635  -6.453   7.406
  665    HG3  ARG  86           HG3      ARG  86   2.018  -6.970   7.908
  666    HD2  ARG  86           HD2      ARG  86   1.777  -8.229   5.765
  667    HD3  ARG  86           HD3      ARG  86   3.444  -7.765   5.337
  668    HE   ARG  86           HE       ARG  86   3.251  -9.096   7.907
  669   HH11  ARG  86          HH11      ARG  86   3.543  -9.529   4.409
  670   HH12  ARG  86          HH12      ARG  86   4.267 -11.113   4.545
  671   HH21  ARG  86          HH21      ARG  86   4.225 -11.162   8.056
  672   HH22  ARG  86          HH22      ARG  86   4.655 -12.035   6.607
  673    H    VAL  87           H        VAL  87   1.781  -6.135   2.988
  674    HA   VAL  87           HA       VAL  87   0.046  -3.843   2.353
  675    HB   VAL  87           HB       VAL  87   2.163  -4.893   0.416
  676   HG11  VAL  87          HG11      VAL  87   1.295  -3.096  -1.050
  677   HG12  VAL  87          HG12      VAL  87   0.057  -4.312  -0.681
  678   HG13  VAL  87          HG13      VAL  87   0.022  -2.744   0.148
  679   HG21  VAL  87          HG21      VAL  87   3.273  -3.434   1.967
  680   HG22  VAL  87          HG22      VAL  87   2.964  -2.504   0.483
  681   HG23  VAL  87          HG23      VAL  87   1.938  -2.259   1.914
  682    H    GLN  88           H        GLN  88  -1.903  -4.788   1.772
  683    HA   GLN  88           HA       GLN  88  -1.956  -7.049  -0.036
  684    HB2  GLN  88           HB2      GLN  88  -3.160  -8.583   1.452
  685    HB3  GLN  88           HB3      GLN  88  -1.528  -8.279   2.036
  686    HG2  GLN  88           HG2      GLN  88  -3.984  -6.808   3.093
  687    HG3  GLN  88           HG3      GLN  88  -3.361  -8.298   3.802
  688   HE21  GLN  88          HE22      GLN  88  -3.461  -5.187   4.511
  689   HE22  GLN  88          HE21      GLN  88  -1.879  -4.953   5.223
  690    H    MET  89           H        MET  89  -4.283  -7.741  -0.463
  691    HA   MET  89           HA       MET  89  -5.820  -5.417  -1.048
  692    HB2  MET  89           HB2      MET  89  -6.636  -8.347  -1.012
  693    HB3  MET  89           HB3      MET  89  -7.526  -7.022  -1.799
  694    HG2  MET  89           HG2      MET  89  -4.679  -7.888  -2.440
  695    HG3  MET  89           HG3      MET  89  -6.114  -8.289  -3.394
  696    HE1  MET  89           HE1      MET  89  -3.821  -5.709  -5.460
  697    HE2  MET  89           HE2      MET  89  -3.239  -6.813  -4.205
  698    HE3  MET  89           HE3      MET  89  -4.430  -7.386  -5.410
  699    H    ALA  90           H        ALA  90  -7.792  -4.657  -0.179
  700    HA   ALA  90           HA       ALA  90  -8.064  -4.984   2.690
  701    HB1  ALA  90           HB1      ALA  90  -9.850  -3.535   0.697
  702    HB2  ALA  90           HB2      ALA  90  -9.860  -3.334   2.462
  703    HB3  ALA  90           HB3      ALA  90  -8.437  -2.825   1.528
  704    H    ARG  91           H        ARG  91 -10.490  -5.225   3.525
  705    HA   ARG  91           HA       ARG  91 -11.843  -7.430   2.039
  706    HB2  ARG  91           HB2      ARG  91 -12.230  -8.600   4.103
  707    HB3  ARG  91           HB3      ARG  91 -10.469  -8.364   3.870
  708    HG2  ARG  91           HG2      ARG  91 -10.590  -6.406   5.434
  709    HG3  ARG  91           HG3      ARG  91 -12.309  -6.760   5.698
  710    HD2  ARG  91           HD2      ARG  91 -10.006  -8.665   6.266
  711    HD3  ARG  91           HD3      ARG  91 -10.824  -7.676   7.485
  712    HE   ARG  91           HE       ARG  91 -12.872  -9.091   6.253
  713   HH11  ARG  91          HH11      ARG  91  -9.891  -9.944   7.964
  714   HH12  ARG  91          HH12      ARG  91 -10.536 -11.452   8.567
  715   HH21  ARG  91          HH21      ARG  91 -13.681 -11.066   7.054
  716   HH22  ARG  91          HH22      ARG  91 -12.672 -12.086   8.052
  717    H    TYR  92           H        TYR  92 -12.066  -4.434   3.506
  718    HA   TYR  92           HA       TYR  92 -15.044  -4.589   3.444
  719    HB2  TYR  92           HB2      TYR  92 -13.394  -3.046   5.470
  720    HB3  TYR  92           HB3      TYR  92 -15.152  -3.084   5.364
  721    HD1  TYR  92           HD2      TYR  92 -15.974  -5.789   5.215
  722    HD2  TYR  92           HD1      TYR  92 -12.588  -4.157   7.314
  723    HE1  TYR  92           HE2      TYR  92 -16.033  -7.700   6.788
  724    HE2  TYR  92           HE1      TYR  92 -12.650  -6.056   8.904
  725    HH   TYR  92           HH       TYR  92 -13.702  -8.001   9.500
  726    H    GLY  93           H        GLY  93 -15.943  -2.213   3.441
  727    HA2  GLY  93           HA2      GLY  93 -14.352  -0.614   1.491
  728    HA3  GLY  93           HA3      GLY  93 -16.097  -0.471   1.836
  729    H    ARG  94           H        ARG  94 -16.215  -0.305   4.584
  730    HA   ARG  94           HA       ARG  94 -14.197   1.101   5.898
  731    HB2  ARG  94           HB2      ARG  94 -14.733   3.296   5.815
  732    HB3  ARG  94           HB3      ARG  94 -15.345   2.879   4.218
  733    HG2  ARG  94           HG2      ARG  94 -17.637   2.631   5.191
  734    HG3  ARG  94           HG3      ARG  94 -16.969   3.120   6.773
  735    HD2  ARG  94           HD2      ARG  94 -16.162   5.240   5.767
  736    HD3  ARG  94           HD3      ARG  94 -16.944   4.796   4.238
  737    HE   ARG  94           HE       ARG  94 -19.003   5.366   5.139
  738   HH11  ARG  94          HH11      ARG  94 -16.622   5.098   7.747
  739   HH12  ARG  94          HH12      ARG  94 -17.700   5.754   8.953
  740   HH21  ARG  94          HH21      ARG  94 -20.393   6.204   6.747
  741   HH22  ARG  94          HH22      ARG  94 -19.829   6.368   8.391
  742    HA   PRO  95           HA       PRO  95 -16.588  -0.530   9.222
  743    HB2  PRO  95           HB2      PRO  95 -16.155   1.375  11.203
  744    HB3  PRO  95           HB3      PRO  95 -14.972   0.129  10.694
  745    HG2  PRO  95           HG2      PRO  95 -15.171   3.020   9.734
  746    HG3  PRO  95           HG3      PRO  95 -13.705   2.162  10.274
  747    HD2  PRO  95           HD2      PRO  95 -14.264   2.378   7.665
  748    HD3  PRO  95           HD3      PRO  95 -13.684   0.812   8.302
  749    HA   PRO  96           HA       PRO  96 -20.530   1.491   9.079
  750    HB2  PRO  96           HB2      PRO  96 -21.902   0.070  10.930
  751    HB3  PRO  96           HB3      PRO  96 -21.270  -0.702   9.433
  752    HG2  PRO  96           HG2      PRO  96 -19.995  -0.662  12.191
  753    HG3  PRO  96           HG3      PRO  96 -20.297  -2.087  11.135
  754    HD2  PRO  96           HD2      PRO  96 -17.881  -0.787  11.198
  755    HD3  PRO  96           HD3      PRO  96 -18.537  -1.490   9.689
  756    H    ASP  97           H        ASP  97 -18.436   1.719  11.796
  757    HA   ASP  97           HA       ASP  97 -19.878   4.057  12.841
  758    HB2  ASP  97           HB2      ASP  97 -20.918   2.121  14.004
  759    HB3  ASP  97           HB3      ASP  97 -19.311   1.580  14.519
  760    H    SER  98           H        SER  98 -18.518   5.253  14.396
  761    HA   SER  98           HA       SER  98 -15.712   5.045  13.628
  762    HB2  SER  98           HB2      SER  98 -16.986   7.007  15.563
  763    HB3  SER  98           HB3      SER  98 -15.415   7.136  14.737
  764    HG   SER  98           HG       SER  98 -17.989   7.130  13.525
  765    H    HIS  99           H        HIS  99 -16.694   2.832  15.242
  766    HA   HIS  99           HA       HIS  99 -16.070   1.591  17.049
  767    HB2  HIS  99           HB2      HIS  99 -13.632   3.349  16.679
  768    HB3  HIS  99           HB3      HIS  99 -13.687   2.028  17.858
  769    HD2  HIS  99           HD2      HIS  99 -14.224   2.477  13.997
  770    HE1  HIS  99           HE1      HIS  99 -12.606  -1.394  14.671
  771    HE2  HIS  99           HE2      HIS  99 -13.348   0.270  12.903
  772    H    HIS 100           H        HIS 100 -17.742   3.935  17.610
  773    HA   HIS 100           HA       HIS 100 -16.945   5.169  20.064
  774    HB2  HIS 100           HB2      HIS 100 -19.668   4.583  18.844
  775    HB3  HIS 100           HB3      HIS 100 -19.444   5.496  20.329
  776    HD2  HIS 100           HD2      HIS 100 -17.823   7.808  20.080
  777    HE1  HIS 100           HE1      HIS 100 -18.960   8.458  16.036
  778    HE2  HIS 100           HE2      HIS 100 -17.890   9.511  18.093
  779    H    SER 101           H        SER 101 -17.680   1.898  19.412
  780    HA   SER 101           HA       SER 101 -17.704   1.274  22.271
  781    HB2  SER 101           HB2      SER 101 -19.743  -0.105  22.116
  782    HB3  SER 101           HB3      SER 101 -20.096   1.610  21.835
  783    HG   SER 101           HG       SER 101 -21.090   0.257  20.269
  784    H5'    U 102           H5'        U 102  -8.100  -2.555  14.958
  785   H5''    U 102          H5''        U 102  -6.964  -2.849  16.297
  786    H4'    U 102           H4'        U 102  -6.539  -0.676  14.201
  787    H3'    U 102           H3'        U 102  -6.428  -3.420  13.669
  788    H2'    U 102           H2'        U 102  -4.673  -3.770  15.322
  789   HO2'    U 102          HO2'        U 102  -3.892  -4.354  13.133
  790    H1'    U 102           H1'        U 102  -3.639  -1.133  14.246
  791    H3     U 102           H3         U 102  -2.227  -2.681  19.152
  792    H5     U 102           H5         U 102   0.443  -1.551  16.115
  793    H6     U 102           H6         U 102  -1.489  -1.387  14.599
  794   HO5'    U 102          HO5'        U 102  -7.325  -0.687  16.953
  795    H5'    C 103           H5'        C 103  -6.520  -0.758   9.679
  796   H5''    C 103          H5''        C 103  -7.410  -0.701  11.208
  797    H4'    C 103           H4'        C 103  -8.953  -0.267   9.406
  798    H3'    C 103           H3'        C 103  -9.396  -2.351  11.248
  799    H2'    C 103           H2'        C 103  -8.820  -4.077   9.714
  800   HO2'    C 103          HO2'        C 103 -11.561  -3.461   9.328
  801    H1'    C 103           H1'        C 103 -10.208  -2.471   7.542
  802    H41    C 103           H41        C 103  -7.399  -6.769   3.743
  803    H42    C 103           H42        C 103  -6.312  -7.272   5.022
  804    H5     C 103           H5         C 103  -6.289  -6.215   7.248
  805    H6     C 103           H6         C 103  -7.299  -4.522   8.609
  806    H5'    C 104           H5'        C 104 -10.111   2.330  11.304
  807   H5''    C 104          H5''        C 104 -11.868   2.482  11.279
  808    H4'    C 104           H4'        C 104 -10.546   4.356  10.155
  809    H3'    C 104           H3'        C 104 -12.720   2.924   8.689
  810    H2'    C 104           H2'        C 104 -12.348   4.208   6.813
  811   HO2'    C 104          HO2'        C 104 -12.121   6.274   7.880
  812    H1'    C 104           H1'        C 104  -9.607   4.314   6.987
  813    H41    C 104           H41        C 104 -11.298  -0.167   2.778
  814    H42    C 104           H42        C 104 -12.067  -1.148   4.017
  815    H5     C 104           H5         C 104 -12.217  -0.410   6.355
  816    H6     C 104           H6         C 104 -11.655   1.376   7.890
  817    H5'    A 105           H5'        A 105 -16.473   7.175  10.986
  818   H5''    A 105          H5''        A 105 -15.473   7.886   9.717
  819    H4'    A 105           H4'        A 105 -14.978   8.409  12.189
  820    H3'    A 105           H3'        A 105 -13.086   8.237  10.033
  821    H2'    A 105           H2'        A 105 -11.972   6.410  11.015
  822   HO2'    A 105          HO2'        A 105 -11.120   8.691  12.473
  823    H1'    A 105           H1'        A 105 -12.883   7.545  13.700
  824    H8     A 105           H8         A 105 -12.073   4.347  11.830
  825    H61    A 105           H61        A 105 -10.045   2.261  17.341
  826    H62    A 105           H62        A 105 -10.169   1.861  15.636
  827    H2     A 105           H2         A 105 -11.892   6.253  17.911
  828    H5'    G 106           H5'        G 106 -10.771  11.278  10.939
  829   H5''    G 106          H5''        G 106 -11.740  12.711  11.288
  830    H4'    G 106           H4'        G 106 -10.098  13.529   9.894
  831    H3'    G 106           H3'        G 106 -12.735  13.559   8.971
  832    H2'    G 106           H2'        G 106 -12.632  12.113   7.222
  833   HO2'    G 106          HO2'        G 106 -11.129  14.303   6.212
  834    H1'    G 106           H1'        G 106  -9.770  12.382   6.551
  835    H8     G 106           H8         G 106 -12.373   9.998   8.191
  836    H1     G 106           H1         G 106  -9.043   7.630   3.222
  837    H21    G 106           H21        G 106  -7.603   9.147   2.518
  838    H22    G 106           H22        G 106  -7.418  10.699   3.322
  839    H5'    U 107           H5'        U 107 -12.189  16.340   6.214
  840   H5''    U 107          H5''        U 107 -12.594  17.956   6.819
  841    H4'    U 107           H4'        U 107 -15.095  16.775   6.564
  842    H3'    U 107           H3'        U 107 -13.775  14.905   5.182
  843   HO3'    U 107          HO3'        U 107 -15.875  16.513   4.098
  844    H2'    U 107           H2'        U 107 -12.241  16.361   4.124
  845   HO2'    U 107          HO2'        U 107 -14.414  16.132   2.307
  846    H1'    U 107           H1'        U 107 -14.279  18.275   3.133
  847    H3     U 107           H3         U 107 -11.030  21.527   5.186
  848    H5     U 107           H5         U 107  -9.443  18.902   2.326
  849    H6     U 107           H6         U 107 -11.487  17.623   2.441
  Start of MODEL    8
    1    H    MET   1           H1       MET   1  -0.232  20.495   6.701
    2    HA   MET   1           HA       MET   1  -0.255  19.135   4.749
    3    HB2  MET   1           HB2      MET   1   0.413  16.902   6.715
    4    HB3  MET   1           HB3      MET   1  -0.031  16.678   5.010
    5    HG2  MET   1           HG2      MET   1   2.408  18.160   6.070
    6    HG3  MET   1           HG3      MET   1   2.399  16.574   5.302
    7    HE1  MET   1           HE1      MET   1   4.332  17.350   3.723
    8    HE2  MET   1           HE2      MET   1   4.265  18.805   2.703
    9    HE3  MET   1           HE3      MET   1   4.316  18.962   4.474
   10    H    SER   2           H        SER   2  -2.065  17.476   4.289
   11    HA   SER   2           HA       SER   2  -4.116  17.259   6.359
   12    HB2  SER   2           HB2      SER   2  -5.809  18.467   5.013
   13    HB3  SER   2           HB3      SER   2  -4.505  19.545   5.552
   14    HG   SER   2           HG       SER   2  -5.032  19.806   3.332
   15    H    TYR   3           H        TYR   3  -6.086  16.159   5.398
   16    HA   TYR   3           HA       TYR   3  -5.436  14.414   3.077
   17    HB2  TYR   3           HB2      TYR   3  -6.273  13.479   5.848
   18    HB3  TYR   3           HB3      TYR   3  -6.183  12.457   4.415
   19    HD1  TYR   3           HD2      TYR   3  -4.179  14.429   6.830
   20    HD2  TYR   3           HD1      TYR   3  -4.113  11.663   3.541
   21    HE1  TYR   3           HE2      TYR   3  -1.733  14.145   7.124
   22    HE2  TYR   3           HE1      TYR   3  -1.690  11.287   3.890
   23    HH   TYR   3           HH       TYR   3   0.189  11.975   5.005
   24    H    GLY   4           H        GLY   4  -7.462  12.915   2.715
   25    HA2  GLY   4           HA2      GLY   4 -10.026  14.200   3.291
   26    HA3  GLY   4           HA3      GLY   4  -9.456  14.382   1.620
   27    H    ARG   5           H        ARG   5 -11.767  13.170   1.839
   28    HA   ARG   5           HA       ARG   5 -11.897  10.461   2.387
   29    HB2  ARG   5           HB2      ARG   5 -13.928  10.517   0.998
   30    HB3  ARG   5           HB3      ARG   5 -13.813  11.962   2.019
   31    HG2  ARG   5           HG2      ARG   5 -12.855  13.219   0.063
   32    HG3  ARG   5           HG3      ARG   5 -13.078  11.774  -0.943
   33    HD2  ARG   5           HD2      ARG   5 -15.282  13.282   0.516
   34    HD3  ARG   5           HD3      ARG   5 -14.903  13.443  -1.199
   35    HE   ARG   5           HE       ARG   5 -15.677  11.211  -1.598
   36   HH11  ARG   5          HH11      ARG   5 -16.226  12.311   1.726
   37   HH12  ARG   5          HH12      ARG   5 -17.448  11.103   2.037
   38   HH21  ARG   5          HH21      ARG   5 -17.282   9.657  -1.150
   39   HH22  ARG   5          HH22      ARG   5 -18.053   9.615   0.416
   40    HA   PRO   6           HA       PRO   6 -10.014   8.131  -0.915
   41    HB2  PRO   6           HB2      PRO   6 -12.701   6.770  -0.959
   42    HB3  PRO   6           HB3      PRO   6 -11.073   6.025  -0.925
   43    HG2  PRO   6           HG2      PRO   6 -12.570   6.153   1.328
   44    HG3  PRO   6           HG3      PRO   6 -10.809   6.523   1.384
   45    HD2  PRO   6           HD2      PRO   6 -13.135   8.461   1.344
   46    HD3  PRO   6           HD3      PRO   6 -11.631   8.547   2.299
   47    HA   PRO   7           HA       PRO   7 -11.418   9.793  -4.802
   48    HB2  PRO   7           HB2      PRO   7 -11.144   6.971  -5.827
   49    HB3  PRO   7           HB3      PRO   7 -10.502   8.481  -6.549
   50    HG2  PRO   7           HG2      PRO   7  -8.855   6.830  -5.186
   51    HG3  PRO   7           HG3      PRO   7  -8.766   8.602  -4.922
   52    HD2  PRO   7           HD2      PRO   7 -10.141   6.518  -3.204
   53    HD3  PRO   7           HD3      PRO   7  -9.115   7.898  -2.711
   54    HA   PRO   8           HA       PRO   8 -15.705   8.647  -5.282
   55    HB2  PRO   8           HB2      PRO   8 -16.268   9.423  -7.838
   56    HB3  PRO   8           HB3      PRO   8 -15.894  10.596  -6.535
   57    HG2  PRO   8           HG2      PRO   8 -13.993   9.462  -8.606
   58    HG3  PRO   8           HG3      PRO   8 -14.251  11.187  -8.180
   59    HD2  PRO   8           HD2      PRO   8 -12.210   9.732  -7.117
   60    HD3  PRO   8           HD3      PRO   8 -13.095  10.930  -6.124
   61    H    ASP   9           H        ASP   9 -17.154   7.236  -6.610
   62    HA   ASP   9           HA       ASP   9 -17.681   5.211  -7.436
   63    HB2  ASP   9           HB2      ASP   9 -15.358   5.770  -9.310
   64    HB3  ASP   9           HB3      ASP   9 -16.649   4.589  -9.582
   65    H    VAL  10           H        VAL  10 -15.528   5.379  -5.262
   66    HA   VAL  10           HA       VAL  10 -13.695   3.274  -5.647
   67    HB   VAL  10           HB       VAL  10 -13.524   4.997  -3.905
   68   HG11  VAL  10          HG11      VAL  10 -15.792   3.500  -2.526
   69   HG12  VAL  10          HG12      VAL  10 -14.854   4.841  -1.843
   70   HG13  VAL  10          HG13      VAL  10 -15.903   5.130  -3.242
   71   HG21  VAL  10          HG21      VAL  10 -12.715   3.593  -2.105
   72   HG22  VAL  10          HG22      VAL  10 -13.670   2.217  -2.686
   73   HG23  VAL  10          HG23      VAL  10 -12.307   2.836  -3.659
   74    H    GLU  11           H        GLU  11 -17.112   3.201  -5.109
   75    HA   GLU  11           HA       GLU  11 -17.297   0.562  -3.951
   76    HB2  GLU  11           HB2      GLU  11 -19.336   2.197  -5.521
   77    HB3  GLU  11           HB3      GLU  11 -19.681   0.782  -4.498
   78    HG2  GLU  11           HG2      GLU  11 -18.762   2.007  -2.535
   79    HG3  GLU  11           HG3      GLU  11 -18.477   3.417  -3.565
   80    H    GLY  12           H        GLY  12 -16.077   1.447  -6.860
   81    HA2  GLY  12           HA2      GLY  12 -16.916  -1.079  -8.185
   82    HA3  GLY  12           HA3      GLY  12 -16.954   0.468  -9.068
   83    H    MET  13           H        MET  13 -14.431  -0.023  -6.694
   84    HA   MET  13           HA       MET  13 -12.480  -0.852  -8.777
   85    HB2  MET  13           HB2      MET  13 -12.182   1.541  -6.915
   86    HB3  MET  13           HB3      MET  13 -10.909   0.884  -7.963
   87    HG2  MET  13           HG2      MET  13 -12.383   1.288  -9.940
   88    HG3  MET  13           HG3      MET  13 -13.528   2.117  -8.871
   89    HE1  MET  13           HE1      MET  13 -12.981   4.331  -7.541
   90    HE2  MET  13           HE2      MET  13 -11.488   3.627  -6.866
   91    HE3  MET  13           HE3      MET  13 -11.445   5.218  -7.659
   92    H    THR  14           H        THR  14 -10.374  -1.483  -7.801
   93    HA   THR  14           HA       THR  14 -10.812  -3.185  -5.494
   94    HB   THR  14           HB       THR  14  -9.406  -3.786  -7.468
   95   HG21  THR  14          HG21      THR  14  -7.104  -2.917  -7.588
   96   HG22  THR  14          HG22      THR  14  -8.284  -1.617  -7.837
   97   HG23  THR  14          HG23      THR  14  -7.449  -1.773  -6.273
   98    H    SER  15           H        SER  15  -8.899  -3.181  -3.801
   99    HA   SER  15           HA       SER  15  -8.115  -0.470  -2.912
  100    HB2  SER  15           HB2      SER  15  -9.880  -2.383  -1.331
  101    HB3  SER  15           HB3      SER  15  -9.031  -0.985  -0.631
  102    HG   SER  15           HG       SER  15 -11.224  -0.554  -1.253
  103    H    LEU  16           H        LEU  16  -6.102  -0.578  -2.044
  104    HA   LEU  16           HA       LEU  16  -5.117  -3.243  -1.102
  105    HB2  LEU  16           HB2      LEU  16  -4.239  -2.680  -3.385
  106    HB3  LEU  16           HB3      LEU  16  -3.574  -1.179  -2.715
  107    HG   LEU  16           HG       LEU  16  -2.386  -2.764  -0.972
  108   HD11  LEU  16          HD11      LEU  16  -2.816  -4.659  -3.313
  109   HD12  LEU  16          HD12      LEU  16  -1.864  -4.975  -1.850
  110   HD13  LEU  16          HD13      LEU  16  -3.630  -4.804  -1.736
  111   HD21  LEU  16          HD21      LEU  16  -1.192  -1.415  -2.626
  112   HD22  LEU  16          HD22      LEU  16  -0.492  -3.050  -2.569
  113   HD23  LEU  16          HD23      LEU  16  -1.592  -2.599  -3.893
  114    H    LYS  17           H        LYS  17  -5.308  -2.761   1.072
  115    HA   LYS  17           HA       LYS  17  -4.408  -0.371   2.355
  116    HB2  LYS  17           HB2      LYS  17  -5.986  -1.627   3.481
  117    HB3  LYS  17           HB3      LYS  17  -5.146  -3.169   3.193
  118    HG2  LYS  17           HG2      LYS  17  -3.461  -2.604   4.852
  119    HG3  LYS  17           HG3      LYS  17  -4.155  -0.969   5.050
  120    HD2  LYS  17           HD2      LYS  17  -6.260  -1.938   5.863
  121    HD3  LYS  17           HD3      LYS  17  -5.662  -3.572   5.514
  122    HE2  LYS  17           HE2      LYS  17  -5.480  -3.161   7.881
  123    HE3  LYS  17           HE3      LYS  17  -3.861  -3.283   7.184
  124    HZ1  LYS  17           HZ1      LYS  17  -5.273  -0.779   7.841
  125    HZ2  LYS  17           HZ2      LYS  17  -4.061  -1.472   8.712
  126    HZ3  LYS  17           HZ3      LYS  17  -3.746  -0.879   7.209
  127    H    VAL  18           H        VAL  18  -2.547   0.029   3.564
  128    HA   VAL  18           HA       VAL  18  -0.265  -1.889   3.386
  129    HB   VAL  18           HB       VAL  18  -0.242   1.120   3.026
  130   HG11  VAL  18          HG11      VAL  18   1.723   0.288   4.253
  131   HG12  VAL  18          HG12      VAL  18   2.077  -0.836   2.914
  132   HG13  VAL  18          HG13      VAL  18   2.137   0.934   2.666
  133   HG21  VAL  18          HG21      VAL  18  -1.014  -0.056   0.968
  134   HG22  VAL  18          HG22      VAL  18   0.578   0.693   0.743
  135   HG23  VAL  18          HG23      VAL  18   0.452  -1.062   1.015
  136    H    ASP  19           H        ASP  19   0.894  -2.015   5.304
  137    HA   ASP  19           HA       ASP  19   0.364  -0.175   7.521
  138    HB2  ASP  19           HB2      ASP  19  -0.601  -1.903   8.955
  139    HB3  ASP  19           HB3      ASP  19  -1.601  -1.667   7.515
  140    H    ASN  20           H        ASN  20   1.310  -1.263   9.613
  141    HA   ASN  20           HA       ASN  20   2.891  -2.256  10.817
  142    HB2  ASN  20           HB2      ASN  20   2.712  -4.099   8.916
  143    HB3  ASN  20           HB3      ASN  20   4.330  -3.530   8.516
  144   HD21  ASN  20          HD22      ASN  20   6.056  -3.952   9.992
  145   HD22  ASN  20          HD21      ASN  20   5.848  -5.044  11.349
  146    H    LEU  21           H        LEU  21   3.350   0.352   9.073
  147    HA   LEU  21           HA       LEU  21   6.133   0.671   8.730
  148    HB2  LEU  21           HB2      LEU  21   5.675   3.054   8.814
  149    HB3  LEU  21           HB3      LEU  21   4.442   2.243   7.854
  150    HG   LEU  21           HG       LEU  21   3.811   2.502  10.774
  151   HD11  LEU  21          HD11      LEU  21   3.155   4.874  10.525
  152   HD12  LEU  21          HD12      LEU  21   4.906   4.625  10.426
  153   HD13  LEU  21          HD13      LEU  21   3.973   4.923   8.938
  154   HD21  LEU  21          HD21      LEU  21   2.309   3.082   8.195
  155   HD22  LEU  21          HD22      LEU  21   2.178   1.610   9.187
  156   HD23  LEU  21          HD23      LEU  21   1.631   3.177   9.837
  157    H    THR  22           H        THR  22   7.336   2.506  10.045
  158    HA   THR  22           HA       THR  22   7.677   1.405  12.719
  159    HB   THR  22           HB       THR  22   9.613   2.868  12.846
  160   HG21  THR  22          HG21      THR  22  10.875   2.203  10.837
  161   HG22  THR  22          HG22      THR  22   9.936   0.851  11.509
  162   HG23  THR  22          HG23      THR  22   9.364   1.699  10.046
  163    H    TYR  23           H        TYR  23   8.119   2.993  14.541
  164    HA   TYR  23           HA       TYR  23   5.805   4.714  14.947
  165    HB2  TYR  23           HB2      TYR  23   6.732   5.002  17.176
  166    HB3  TYR  23           HB3      TYR  23   6.713   3.294  16.737
  167    HD1  TYR  23           HD2      TYR  23   8.840   2.115  16.148
  168    HD2  TYR  23           HD1      TYR  23   8.788   6.152  17.644
  169    HE1  TYR  23           HE2      TYR  23  11.261   1.955  16.660
  170    HE2  TYR  23           HE1      TYR  23  11.207   5.993  18.160
  171    HH   TYR  23           HH       TYR  23  13.091   4.675  18.098
  172    H    ARG  24           H        ARG  24   8.287   5.253  12.990
  173    HA   ARG  24           HA       ARG  24   8.694   8.088  13.836
  174    HB2  ARG  24           HB2      ARG  24  10.677   6.150  12.571
  175    HB3  ARG  24           HB3      ARG  24  10.986   7.871  12.844
  176    HG2  ARG  24           HG2      ARG  24  10.439   5.785  14.988
  177    HG3  ARG  24           HG3      ARG  24  12.022   6.478  14.589
  178    HD2  ARG  24           HD2      ARG  24   9.619   8.038  15.605
  179    HD3  ARG  24           HD3      ARG  24  11.013   7.550  16.578
  180    HE   ARG  24           HE       ARG  24  12.195   8.941  14.542
  181   HH11  ARG  24          HH11      ARG  24   9.547   9.692  16.775
  182   HH12  ARG  24          HH12      ARG  24   9.855  11.412  16.736
  183   HH21  ARG  24          HH21      ARG  24  12.582  11.184  14.538
  184   HH22  ARG  24          HH22      ARG  24  11.575  12.250  15.493
  185    H    THR  25           H        THR  25   7.785   5.867  11.321
  186    HA   THR  25           HA       THR  25   8.125   7.788   9.150
  187    HB   THR  25           HB       THR  25   6.484   5.226   9.315
  188   HG21  THR  25          HG21      THR  25   5.768   6.511   7.379
  189   HG22  THR  25          HG22      THR  25   7.459   6.895   6.955
  190   HG23  THR  25          HG23      THR  25   6.860   5.228   6.827
  191    H    SER  26           H        SER  26   6.117   8.521   7.893
  192    HA   SER  26           HA       SER  26   3.824   9.103   9.694
  193    HB2  SER  26           HB2      SER  26   5.456  11.112   8.078
  194    HB3  SER  26           HB3      SER  26   3.935  11.485   8.899
  195    HG   SER  26           HG       SER  26   5.779  12.003  10.162
  196    HA   PRO  27           HA       PRO  27   1.431   8.208   6.163
  197    HB2  PRO  27           HB2      PRO  27  -0.642  10.026   6.237
  198    HB3  PRO  27           HB3      PRO  27  -0.477   8.641   7.360
  199    HG2  PRO  27           HG2      PRO  27   0.341  11.519   7.829
  200    HG3  PRO  27           HG3      PRO  27  -0.563  10.428   8.929
  201    HD2  PRO  27           HD2      PRO  27   2.107  10.861   9.183
  202    HD3  PRO  27           HD3      PRO  27   1.410   9.244   9.493
  203    H    ASP  28           H        ASP  28   2.851  11.419   6.438
  204    HA   ASP  28           HA       ASP  28   2.231  12.176   3.681
  205    HB2  ASP  28           HB2      ASP  28   2.716  13.825   5.496
  206    HB3  ASP  28           HB3      ASP  28   4.368  13.176   5.600
  207    H    THR  29           H        THR  29   4.799  10.490   5.492
  208    HA   THR  29           HA       THR  29   6.698  10.450   3.338
  209    HB   THR  29           HB       THR  29   6.534   8.176   5.270
  210   HG21  THR  29          HG21      THR  29   8.427   8.452   3.703
  211   HG22  THR  29          HG22      THR  29   8.747  10.068   4.390
  212   HG23  THR  29          HG23      THR  29   8.965   8.613   5.393
  213    H    LEU  30           H        LEU  30   4.182   8.140   4.541
  214    HA   LEU  30           HA       LEU  30   4.734   6.161   2.565
  215    HB2  LEU  30           HB2      LEU  30   2.123   6.729   4.015
  216    HB3  LEU  30           HB3      LEU  30   2.581   5.231   3.167
  217    HG   LEU  30           HG       LEU  30   4.051   6.371   5.584
  218   HD11  LEU  30          HD11      LEU  30   1.730   5.633   6.094
  219   HD12  LEU  30          HD12      LEU  30   2.094   4.053   5.360
  220   HD13  LEU  30          HD13      LEU  30   2.959   4.575   6.828
  221   HD21  LEU  30          HD21      LEU  30   5.472   4.961   4.135
  222   HD22  LEU  30          HD22      LEU  30   5.086   4.131   5.659
  223   HD23  LEU  30          HD23      LEU  30   4.227   3.686   4.165
  224    H    ARG  31           H        ARG  31   2.844   9.141   2.489
  225    HA   ARG  31           HA       ARG  31   1.245   8.506   0.188
  226    HB2  ARG  31           HB2      ARG  31   0.685  10.346   1.687
  227    HB3  ARG  31           HB3      ARG  31   2.238  11.127   1.393
  228    HG2  ARG  31           HG2      ARG  31   0.478  12.270   0.185
  229    HG3  ARG  31           HG3      ARG  31   1.614  11.537  -0.957
  230    HD2  ARG  31           HD2      ARG  31   0.052   9.634  -1.286
  231    HD3  ARG  31           HD3      ARG  31  -1.064  10.361  -0.109
  232    HE   ARG  31           HE       ARG  31  -1.851  11.751  -1.757
  233   HH11  ARG  31          HH11      ARG  31   1.348  10.593  -2.749
  234   HH12  ARG  31          HH12      ARG  31   1.276  11.429  -4.286
  235   HH21  ARG  31          HH21      ARG  31  -1.894  12.790  -3.781
  236   HH22  ARG  31          HH22      ARG  31  -0.539  12.631  -4.876
  237    H    ARG  32           H        ARG  32   4.506   9.922   0.562
  238    HA   ARG  32           HA       ARG  32   4.772  10.257  -2.361
  239    HB2  ARG  32           HB2      ARG  32   5.751  11.886  -0.777
  240    HB3  ARG  32           HB3      ARG  32   6.718  10.589  -0.036
  241    HG2  ARG  32           HG2      ARG  32   7.887  10.234  -2.198
  242    HG3  ARG  32           HG3      ARG  32   6.948  11.564  -2.915
  243    HD2  ARG  32           HD2      ARG  32   7.865  13.111  -1.205
  244    HD3  ARG  32           HD3      ARG  32   8.795  11.773  -0.499
  245    HE   ARG  32           HE       ARG  32   9.425  11.976  -3.273
  246   HH11  ARG  32          HH11      ARG  32   9.910  13.737  -0.242
  247   HH12  ARG  32          HH12      ARG  32  11.415  14.452  -0.759
  248   HH21  ARG  32          HH21      ARG  32  11.376  12.934  -3.934
  249   HH22  ARG  32          HH22      ARG  32  12.229  14.021  -2.865
  250    H    VAL  33           H        VAL  33   5.991   8.126   0.201
  251    HA   VAL  33           HA       VAL  33   7.867   6.629  -1.301
  252    HB   VAL  33           HB       VAL  33   6.157   6.097   1.135
  253   HG11  VAL  33          HG11      VAL  33   8.254   4.229  -0.025
  254   HG12  VAL  33          HG12      VAL  33   7.482   4.086   1.581
  255   HG13  VAL  33          HG13      VAL  33   6.501   3.914   0.120
  256   HG21  VAL  33          HG21      VAL  33   9.156   6.425   0.759
  257   HG22  VAL  33          HG22      VAL  33   8.042   7.728   1.249
  258   HG23  VAL  33          HG23      VAL  33   8.270   6.321   2.306
  259    H    PHE  34           H        PHE  34   4.295   6.355  -1.085
  260    HA   PHE  34           HA       PHE  34   4.438   3.840  -2.656
  261    HB2  PHE  34           HB2      PHE  34   2.404   5.149  -0.878
  262    HB3  PHE  34           HB3      PHE  34   1.905   3.944  -2.056
  263    HD1  PHE  34           HD1      PHE  34   4.164   4.451   0.873
  264    HD2  PHE  34           HD2      PHE  34   2.238   1.634  -1.734
  265    HE1  PHE  34           HE1      PHE  34   4.905   2.580   2.340
  266    HE2  PHE  34           HE2      PHE  34   2.948  -0.227  -0.260
  267    HZ   PHE  34           HZ       PHE  34   4.313   0.251   1.763
  268    H    GLU  35           H        GLU  35   3.933   7.182  -3.070
  269    HA   GLU  35           HA       GLU  35   1.991   7.202  -5.149
  270    HB2  GLU  35           HB2      GLU  35   2.663   9.251  -4.072
  271    HB3  GLU  35           HB3      GLU  35   4.362   9.015  -4.545
  272    HG2  GLU  35           HG2      GLU  35   3.797   9.341  -6.883
  273    HG3  GLU  35           HG3      GLU  35   2.068   9.425  -6.486
  274    H    LYS  36           H        LYS  36   5.412   6.312  -5.168
  275    HA   LYS  36           HA       LYS  36   5.791   6.676  -7.999
  276    HB2  LYS  36           HB2      LYS  36   7.946   5.702  -7.610
  277    HB3  LYS  36           HB3      LYS  36   7.529   6.706  -6.195
  278    HG2  LYS  36           HG2      LYS  36   6.821   4.673  -4.974
  279    HG3  LYS  36           HG3      LYS  36   7.293   3.676  -6.372
  280    HD2  LYS  36           HD2      LYS  36   9.074   3.624  -4.731
  281    HD3  LYS  36           HD3      LYS  36   9.621   4.511  -6.168
  282    HE2  LYS  36           HE2      LYS  36   9.149   6.657  -5.021
  283    HE3  LYS  36           HE3      LYS  36   8.563   5.771  -3.601
  284    HZ1  LYS  36           HZ1      LYS  36  10.753   4.840  -3.347
  285    HZ2  LYS  36           HZ2      LYS  36  11.303   5.639  -4.671
  286    HZ3  LYS  36           HZ3      LYS  36  10.838   6.481  -3.338
  287    H    TYR  37           H        TYR  37   4.378   4.168  -6.081
  288    HA   TYR  37           HA       TYR  37   4.834   2.039  -8.018
  289    HB2  TYR  37           HB2      TYR  37   3.019   2.226  -5.592
  290    HB3  TYR  37           HB3      TYR  37   3.228   0.778  -6.585
  291    HD1  TYR  37           HD2      TYR  37   5.068   3.223  -4.461
  292    HD2  TYR  37           HD1      TYR  37   5.060  -0.679  -6.255
  293    HE1  TYR  37           HE2      TYR  37   7.125   2.658  -3.208
  294    HE2  TYR  37           HE1      TYR  37   7.129  -1.253  -5.025
  295    HH   TYR  37           HH       TYR  37   8.747  -0.528  -3.573
  296    H    GLY  38           H        GLY  38   2.597   4.692  -7.770
  297    HA2  GLY  38           HA2      GLY  38   1.806   4.739 -10.291
  298    HA3  GLY  38           HA3      GLY  38   0.829   3.359  -9.756
  299    H    ARG  39           H        ARG  39  -0.405   3.913  -7.528
  300    HA   ARG  39           HA       ARG  39  -1.386   6.658  -7.563
  301    HB2  ARG  39           HB2      ARG  39  -3.652   6.206  -8.163
  302    HB3  ARG  39           HB3      ARG  39  -2.594   5.618  -9.440
  303    HG2  ARG  39           HG2      ARG  39  -2.847   3.277  -8.424
  304    HG3  ARG  39           HG3      ARG  39  -4.123   3.966  -7.393
  305    HD2  ARG  39           HD2      ARG  39  -5.256   3.065  -9.226
  306    HD3  ARG  39           HD3      ARG  39  -5.257   4.814  -9.471
  307    HE   ARG  39           HE       ARG  39  -3.060   3.303 -10.748
  308   HH11  ARG  39          HH11      ARG  39  -6.245   4.772 -11.173
  309   HH12  ARG  39          HH12      ARG  39  -6.103   4.836 -12.915
  310   HH21  ARG  39          HH21      ARG  39  -2.906   3.380 -12.976
  311   HH22  ARG  39          HH22      ARG  39  -4.196   4.056 -13.947
  312    H    VAL  40           H        VAL  40  -0.740   6.807  -5.471
  313    HA   VAL  40           HA       VAL  40  -1.996   5.191  -3.389
  314    HB   VAL  40           HB       VAL  40   0.166   6.082  -3.009
  315   HG11  VAL  40          HG11      VAL  40   0.694   8.452  -2.919
  316   HG12  VAL  40          HG12      VAL  40   0.047   8.066  -4.519
  317   HG13  VAL  40          HG13      VAL  40  -0.972   8.896  -3.323
  318   HG21  VAL  40          HG21      VAL  40  -1.511   5.967  -1.124
  319   HG22  VAL  40          HG22      VAL  40  -0.138   7.058  -0.844
  320   HG23  VAL  40          HG23      VAL  40  -1.730   7.720  -1.265
  321    H    GLY  41           H        GLY  41  -4.031   5.554  -4.689
  322    HA2  GLY  41           HA2      GLY  41  -5.380   7.866  -5.222
  323    HA3  GLY  41           HA3      GLY  41  -6.199   6.371  -4.733
  324    H    ASP  42           H        ASP  42  -5.073   6.329  -2.009
  325    HA   ASP  42           HA       ASP  42  -5.457   8.901  -0.807
  326    HB2  ASP  42           HB2      ASP  42  -7.367   8.534   0.554
  327    HB3  ASP  42           HB3      ASP  42  -7.843   8.305  -1.120
  328    H    VAL  43           H        VAL  43  -5.436   8.635   1.690
  329    HA   VAL  43           HA       VAL  43  -3.922   6.276   2.588
  330    HB   VAL  43           HB       VAL  43  -2.113   7.477   1.684
  331   HG11  VAL  43          HG11      VAL  43  -3.399   9.981   2.779
  332   HG12  VAL  43          HG12      VAL  43  -1.748   9.909   2.106
  333   HG13  VAL  43          HG13      VAL  43  -3.146   9.544   1.081
  334   HG21  VAL  43          HG21      VAL  43  -2.289   8.443   4.572
  335   HG22  VAL  43          HG22      VAL  43  -1.781   6.808   4.076
  336   HG23  VAL  43          HG23      VAL  43  -0.818   8.221   3.605
  337    H    TYR  44           H        TYR  44  -4.196   5.893   4.740
  338    HA   TYR  44           HA       TYR  44  -5.273   8.054   6.443
  339    HB2  TYR  44           HB2      TYR  44  -7.133   6.755   5.226
  340    HB3  TYR  44           HB3      TYR  44  -6.732   5.420   6.315
  341    HD1  TYR  44           HD1      TYR  44  -7.408   9.099   6.313
  342    HD2  TYR  44           HD2      TYR  44  -7.832   5.375   8.420
  343    HE1  TYR  44           HE1      TYR  44  -8.711  10.254   8.082
  344    HE2  TYR  44           HE2      TYR  44  -9.173   6.518  10.174
  345    HH   TYR  44           HH       TYR  44  -9.847  10.042  10.021
  346    H    ILE  45           H        ILE  45  -5.435   7.350   8.733
  347    HA   ILE  45           HA       ILE  45  -3.784   5.019   9.484
  348    HB   ILE  45           HB       ILE  45  -3.247   7.875  10.343
  349   HG12  ILE  45          HG12      ILE  45  -1.600   5.612   9.124
  350   HG13  ILE  45          HG13      ILE  45  -2.073   7.120   8.320
  351   HG21  ILE  45          HG21      ILE  45  -3.367   6.456  12.359
  352   HG22  ILE  45          HG22      ILE  45  -2.278   5.272  11.609
  353   HG23  ILE  45          HG23      ILE  45  -1.697   6.902  12.030
  354   HD11  ILE  45          HD11      ILE  45  -0.117   6.823  10.638
  355   HD12  ILE  45          HD12      ILE  45   0.247   7.259   8.962
  356   HD13  ILE  45          HD13      ILE  45  -0.679   8.380   9.986
  357    HA   PRO  46           HA       PRO  46  -7.734   4.798  11.695
  358    HB2  PRO  46           HB2      PRO  46  -6.307   2.225  12.381
  359    HB3  PRO  46           HB3      PRO  46  -8.039   2.462  11.975
  360    HG2  PRO  46           HG2      PRO  46  -6.387   1.524  10.072
  361    HG3  PRO  46           HG3      PRO  46  -7.495   2.875   9.665
  362    HD2  PRO  46           HD2      PRO  46  -4.575   3.052  10.467
  363    HD3  PRO  46           HD3      PRO  46  -5.405   3.806   9.066
  364    H    ARG  47           H        ARG  47  -4.992   5.835  12.899
  365    HA   ARG  47           HA       ARG  47  -4.623   4.975  15.522
  366    HB2  ARG  47           HB2      ARG  47  -3.196   6.587  14.432
  367    HB3  ARG  47           HB3      ARG  47  -4.524   7.761  14.298
  368    HG2  ARG  47           HG2      ARG  47  -4.578   8.017  16.726
  369    HG3  ARG  47           HG3      ARG  47  -3.333   6.750  16.907
  370    HD2  ARG  47           HD2      ARG  47  -2.254   8.923  17.044
  371    HD3  ARG  47           HD3      ARG  47  -1.786   8.142  15.519
  372    HE   ARG  47           HE       ARG  47  -4.072   9.742  15.021
  373   HH11  ARG  47          HH11      ARG  47  -0.686  10.147  15.957
  374   HH12  ARG  47          HH12      ARG  47  -0.536  11.714  15.197
  375   HH21  ARG  47          HH21      ARG  47  -3.852  11.797  14.042
  376   HH22  ARG  47          HH22      ARG  47  -2.333  12.651  14.135
  377    H    ASP  48           H        ASP  48  -5.779   5.104  17.408
  378    HA   ASP  48           HA       ASP  48  -8.543   5.378  17.285
  379    HB2  ASP  48           HB2      ASP  48  -7.280   4.171  19.025
  380    HB3  ASP  48           HB3      ASP  48  -6.791   5.724  19.734
  381    H    ARG  49           H        ARG  49  -9.955   6.948  17.405
  382    HA   ARG  49           HA       ARG  49  -9.035   9.631  16.924
  383    HB2  ARG  49           HB2      ARG  49 -10.891   8.293  15.812
  384    HB3  ARG  49           HB3      ARG  49 -11.883   8.617  17.241
  385    HG2  ARG  49           HG2      ARG  49 -11.791  11.030  16.786
  386    HG3  ARG  49           HG3      ARG  49 -10.581  10.754  15.502
  387    HD2  ARG  49           HD2      ARG  49 -12.728  11.035  14.452
  388    HD3  ARG  49           HD3      ARG  49 -12.249   9.329  14.310
  389    HE   ARG  49           HE       ARG  49 -13.743   8.971  16.361
  390   HH11  ARG  49          HH11      ARG  49 -14.375  11.487  13.941
  391   HH12  ARG  49          HH12      ARG  49 -16.096  11.495  14.246
  392   HH21  ARG  49          HH21      ARG  49 -15.992   9.026  16.723
  393   HH22  ARG  49          HH22      ARG  49 -17.002  10.122  15.806
  394    H    TYR  50           H        TYR  50  -9.238   8.170  19.854
  395    HA   TYR  50           HA       TYR  50  -9.929  10.747  21.168
  396    HB2  TYR  50           HB2      TYR  50 -10.857   8.081  22.253
  397    HB3  TYR  50           HB3      TYR  50 -11.308   9.692  22.802
  398    HD1  TYR  50           HD1      TYR  50 -12.758  11.131  21.204
  399    HD2  TYR  50           HD2      TYR  50 -12.102   6.913  20.710
  400    HE1  TYR  50           HE1      TYR  50 -14.822  10.975  19.818
  401    HE2  TYR  50           HE2      TYR  50 -14.151   6.741  19.335
  402    HH   TYR  50           HH       TYR  50 -16.237   9.599  18.677
  403    H    THR  51           H        THR  51  -7.917   7.906  20.984
  404    HA   THR  51           HA       THR  51  -6.534   8.750  23.480
  405    HB   THR  51           HB       THR  51  -6.357   6.456  24.206
  406   HG21  THR  51          HG21      THR  51  -9.247   6.865  23.306
  407   HG22  THR  51          HG22      THR  51  -8.676   5.875  24.668
  408   HG23  THR  51          HG23      THR  51  -8.520   7.645  24.736
  409    H    LYS  52           H        LYS  52  -6.345   8.123  20.198
  410    HA   LYS  52           HA       LYS  52  -4.763   7.605  18.725
  411    HB2  LYS  52           HB2      LYS  52  -3.156   9.222  20.746
  412    HB3  LYS  52           HB3      LYS  52  -2.620   8.891  19.089
  413    HG2  LYS  52           HG2      LYS  52  -4.657   9.993  18.201
  414    HG3  LYS  52           HG3      LYS  52  -5.179  10.356  19.864
  415    HD2  LYS  52           HD2      LYS  52  -3.102  11.669  20.224
  416    HD3  LYS  52           HD3      LYS  52  -2.599  11.322  18.556
  417    HE2  LYS  52           HE2      LYS  52  -4.642  12.442  17.706
  418    HE3  LYS  52           HE3      LYS  52  -5.155  12.767  19.367
  419    HZ1  LYS  52           HZ1      LYS  52  -2.702  13.800  18.118
  420    HZ2  LYS  52           HZ2      LYS  52  -4.076  14.669  18.401
  421    HZ3  LYS  52           HZ3      LYS  52  -3.179  14.096  19.657
  422    H    GLU  53           H        GLU  53  -5.040   5.511  20.845
  423    HA   GLU  53           HA       GLU  53  -2.358   4.545  21.377
  424    HB2  GLU  53           HB2      GLU  53  -3.468   2.733  22.506
  425    HB3  GLU  53           HB3      GLU  53  -4.270   4.253  22.929
  426    HG2  GLU  53           HG2      GLU  53  -6.046   3.768  21.245
  427    HG3  GLU  53           HG3      GLU  53  -5.255   2.233  20.869
  428    H    SER  54           H        SER  54  -3.530   4.692  18.413
  429    HA   SER  54           HA       SER  54  -2.668   1.936  17.728
  430    HB2  SER  54           HB2      SER  54  -5.117   3.370  16.608
  431    HB3  SER  54           HB3      SER  54  -4.503   1.792  16.071
  432    HG   SER  54           HG       SER  54  -6.172   1.579  17.609
  433    H    ARG  55           H        ARG  55  -1.381   4.583  17.697
  434    HA   ARG  55           HA       ARG  55  -1.080   5.469  14.989
  435    HB2  ARG  55           HB2      ARG  55   0.615   6.883  15.925
  436    HB3  ARG  55           HB3      ARG  55  -0.704   6.748  17.118
  437    HG2  ARG  55           HG2      ARG  55   0.650   4.918  18.263
  438    HG3  ARG  55           HG3      ARG  55   1.972   5.283  17.143
  439    HD2  ARG  55           HD2      ARG  55   2.404   6.477  19.168
  440    HD3  ARG  55           HD3      ARG  55   1.885   7.680  17.966
  441    HE   ARG  55           HE       ARG  55  -0.409   6.807  19.380
  442   HH11  ARG  55          HH11      ARG  55   2.567   8.610  19.975
  443   HH12  ARG  55          HH12      ARG  55   1.886   9.524  21.302
  444   HH21  ARG  55          HH21      ARG  55  -1.273   8.000  21.089
  445   HH22  ARG  55          HH22      ARG  55  -0.295   9.188  21.931
  446    H    GLY  56           H        GLY  56  -0.279   2.518  16.120
  447    HA2  GLY  56           HA2      GLY  56   2.533   2.337  15.377
  448    HA3  GLY  56           HA3      GLY  56   1.473   1.032  15.922
  449    H    PHE  57           H        PHE  57  -0.221   2.446  13.385
  450    HA   PHE  57           HA       PHE  57   1.264   1.165  11.217
  451    HB2  PHE  57           HB2      PHE  57  -0.332  -0.521  10.720
  452    HB3  PHE  57           HB3      PHE  57   0.114  -0.715  12.410
  453    HD1  PHE  57           HD1      PHE  57  -1.495   0.104  14.216
  454    HD2  PHE  57           HD2      PHE  57  -2.530  -0.029  10.046
  455    HE1  PHE  57           HE1      PHE  57  -3.897   0.264  14.801
  456    HE2  PHE  57           HE2      PHE  57  -4.906   0.184  10.614
  457    HZ   PHE  57           HZ       PHE  57  -5.616   0.288  13.005
  458    H    ALA  58           H        ALA  58  -0.530   1.011   9.256
  459    HA   ALA  58           HA       ALA  58  -2.094   3.519   9.189
  460    HB1  ALA  58           HB1      ALA  58   0.151   2.854   7.227
  461    HB2  ALA  58           HB2      ALA  58  -0.952   4.237   7.100
  462    HB3  ALA  58           HB3      ALA  58   0.182   4.150   8.451
  463    H    PHE  59           H        PHE  59  -2.856   3.725   6.723
  464    HA   PHE  59           HA       PHE  59  -3.847   1.165   5.636
  465    HB2  PHE  59           HB2      PHE  59  -5.318   2.184   7.527
  466    HB3  PHE  59           HB3      PHE  59  -5.743   3.419   6.353
  467    HD1  PHE  59           HD1      PHE  59  -5.798   1.453   3.879
  468    HD2  PHE  59           HD2      PHE  59  -7.426   1.282   7.858
  469    HE1  PHE  59           HE1      PHE  59  -7.571  -0.067   3.093
  470    HE2  PHE  59           HE2      PHE  59  -9.199  -0.243   7.067
  471    HZ   PHE  59           HZ       PHE  59  -9.255  -0.956   4.686
  472    H    VAL  60           H        VAL  60  -1.925   2.479   4.324
  473    HA   VAL  60           HA       VAL  60  -2.915   4.576   2.569
  474    HB   VAL  60           HB       VAL  60  -0.761   2.546   1.864
  475   HG11  VAL  60          HG11      VAL  60  -1.423   3.995   0.046
  476   HG12  VAL  60          HG12      VAL  60  -1.241   5.435   1.080
  477   HG13  VAL  60          HG13      VAL  60   0.181   4.466   0.626
  478   HG21  VAL  60          HG21      VAL  60   0.868   4.051   2.898
  479   HG22  VAL  60          HG22      VAL  60  -0.426   5.139   3.449
  480   HG23  VAL  60          HG23      VAL  60  -0.277   3.503   4.139
  481    H    ARG  61           H        ARG  61  -3.661   4.255   0.265
  482    HA   ARG  61           HA       ARG  61  -4.394   1.453  -0.337
  483    HB2  ARG  61           HB2      ARG  61  -6.318   2.092   0.839
  484    HB3  ARG  61           HB3      ARG  61  -6.345   3.708   0.102
  485    HG2  ARG  61           HG2      ARG  61  -6.977   2.798  -2.042
  486    HG3  ARG  61           HG3      ARG  61  -6.730   1.130  -1.477
  487    HD2  ARG  61           HD2      ARG  61  -9.160   2.067  -1.586
  488    HD3  ARG  61           HD3      ARG  61  -8.643   1.130  -0.182
  489    HE   ARG  61           HE       ARG  61  -8.707   4.126  -0.215
  490   HH11  ARG  61          HH11      ARG  61  -9.302   1.022   1.364
  491   HH12  ARG  61          HH12      ARG  61  -9.706   1.757   2.906
  492   HH21  ARG  61          HH21      ARG  61  -9.190   5.036   1.806
  493   HH22  ARG  61          HH22      ARG  61  -9.714   4.012   3.140
  494    H    PHE  62           H        PHE  62  -4.466   0.887  -2.332
  495    HA   PHE  62           HA       PHE  62  -4.266   2.933  -4.501
  496    HB2  PHE  62           HB2      PHE  62  -3.575  -0.030  -4.484
  497    HB3  PHE  62           HB3      PHE  62  -3.504   1.015  -5.895
  498    HD1  PHE  62           HD2      PHE  62  -2.169   0.769  -2.398
  499    HD2  PHE  62           HD1      PHE  62  -1.517   2.102  -6.427
  500    HE1  PHE  62           HE2      PHE  62   0.131   1.452  -1.788
  501    HE2  PHE  62           HE1      PHE  62   0.798   2.778  -5.825
  502    HZ   PHE  62           HZ       PHE  62   1.628   2.441  -3.521
  503    H    HIS  63           H        HIS  63  -5.380   2.233  -6.574
  504    HA   HIS  63           HA       HIS  63  -7.985   0.920  -6.010
  505    HB2  HIS  63           HB2      HIS  63  -7.572   3.652  -7.270
  506    HB3  HIS  63           HB3      HIS  63  -9.111   2.777  -7.217
  507    HD2  HIS  63           HD2      HIS  63  -6.533   4.363  -4.791
  508    HE1  HIS  63           HE1      HIS  63 -10.286   4.212  -2.780
  509    HE2  HIS  63           HE2      HIS  63  -7.867   5.020  -2.618
  510    H    ASP  64           H        ASP  64  -5.331   0.530  -7.790
  511    HA   ASP  64           HA       ASP  64  -6.958  -0.564 -10.007
  512    HB2  ASP  64           HB2      ASP  64  -6.018   1.611 -10.783
  513    HB3  ASP  64           HB3      ASP  64  -4.385   1.004 -10.437
  514    H    LYS  65           H        LYS  65  -6.313  -2.534 -10.685
  515    HA   LYS  65           HA       LYS  65  -4.926  -4.104  -8.793
  516    HB2  LYS  65           HB2      LYS  65  -5.688  -4.647 -11.686
  517    HB3  LYS  65           HB3      LYS  65  -5.117  -5.875 -10.537
  518    HG2  LYS  65           HG2      LYS  65  -7.016  -5.433  -9.055
  519    HG3  LYS  65           HG3      LYS  65  -7.585  -4.127 -10.108
  520    HD2  LYS  65           HD2      LYS  65  -8.844  -6.234 -10.497
  521    HD3  LYS  65           HD3      LYS  65  -7.963  -5.695 -11.943
  522    HE2  LYS  65           HE2      LYS  65  -6.161  -7.299 -11.453
  523    HE3  LYS  65           HE3      LYS  65  -6.985  -7.804  -9.971
  524    HZ1  LYS  65           HZ1      LYS  65  -8.052  -8.087 -12.704
  525    HZ2  LYS  65           HZ2      LYS  65  -7.406  -9.302 -11.807
  526    HZ3  LYS  65           HZ3      LYS  65  -8.803  -8.587 -11.330
  527    H    ARG  66           H        ARG  66  -3.728  -2.584 -11.835
  528    HA   ARG  66           HA       ARG  66  -1.446  -4.337 -11.947
  529    HB2  ARG  66           HB2      ARG  66  -0.856  -3.170 -13.859
  530    HB3  ARG  66           HB3      ARG  66  -2.604  -2.935 -13.799
  531    HG2  ARG  66           HG2      ARG  66  -2.027  -0.686 -12.559
  532    HG3  ARG  66           HG3      ARG  66  -0.383  -0.971 -13.164
  533    HD2  ARG  66           HD2      ARG  66  -1.407   0.389 -14.790
  534    HD3  ARG  66           HD3      ARG  66  -1.517  -1.241 -15.488
  535    HE   ARG  66           HE       ARG  66  -3.831  -0.623 -13.887
  536   HH11  ARG  66          HH11      ARG  66  -2.413  -0.042 -17.077
  537   HH12  ARG  66          HH12      ARG  66  -3.950   0.329 -17.819
  538   HH21  ARG  66          HH21      ARG  66  -5.796  -0.068 -14.849
  539   HH22  ARG  66          HH22      ARG  66  -5.881   0.273 -16.562
  540    H    ASP  67           H        ASP  67  -2.009  -1.053 -10.639
  541    HA   ASP  67           HA       ASP  67   0.766  -0.711  -9.839
  542    HB2  ASP  67           HB2      ASP  67  -1.792   0.757  -9.049
  543    HB3  ASP  67           HB3      ASP  67  -0.149   1.305  -8.692
  544    H    ALA  68           H        ALA  68  -2.193  -2.064  -8.451
  545    HA   ALA  68           HA       ALA  68  -1.213  -1.963  -5.727
  546    HB1  ALA  68           HB1      ALA  68  -3.492  -3.519  -7.026
  547    HB2  ALA  68           HB2      ALA  68  -3.228  -3.354  -5.274
  548    HB3  ALA  68           HB3      ALA  68  -3.614  -1.920  -6.249
  549    H    GLU  69           H        GLU  69  -1.250  -4.434  -8.353
  550    HA   GLU  69           HA       GLU  69  -0.345  -6.532  -6.606
  551    HB2  GLU  69           HB2      GLU  69  -0.313  -6.184  -9.627
  552    HB3  GLU  69           HB3      GLU  69   0.332  -7.628  -8.804
  553    HG2  GLU  69           HG2      GLU  69  -1.846  -8.014  -7.723
  554    HG3  GLU  69           HG3      GLU  69  -2.526  -6.615  -8.557
  555    H    ASP  70           H        ASP  70   1.328  -4.028  -8.571
  556    HA   ASP  70           HA       ASP  70   3.947  -5.186  -8.090
  557    HB2  ASP  70           HB2      ASP  70   2.984  -2.402  -8.854
  558    HB3  ASP  70           HB3      ASP  70   4.691  -2.824  -8.663
  559    H    ALA  71           H        ALA  71   1.883  -2.784  -6.420
  560    HA   ALA  71           HA       ALA  71   3.856  -1.795  -4.646
  561    HB1  ALA  71           HB1      ALA  71   0.852  -2.077  -4.322
  562    HB2  ALA  71           HB2      ALA  71   1.902  -1.057  -3.306
  563    HB3  ALA  71           HB3      ALA  71   1.706  -0.686  -5.031
  564    H    MET  72           H        MET  72   1.875  -4.784  -4.472
  565    HA   MET  72           HA       MET  72   2.914  -5.212  -1.730
  566    HB2  MET  72           HB2      MET  72   1.420  -7.072  -1.591
  567    HB3  MET  72           HB3      MET  72   0.526  -5.735  -2.349
  568    HG2  MET  72           HG2      MET  72   1.180  -6.683  -4.569
  569    HG3  MET  72           HG3      MET  72   1.833  -8.099  -3.738
  570    HE1  MET  72           HE1      MET  72  -1.239  -9.570  -5.515
  571    HE2  MET  72           HE2      MET  72   0.006  -8.415  -6.053
  572    HE3  MET  72           HE3      MET  72   0.470  -9.818  -5.067
  573    H    ASP  73           H        ASP  73   3.512  -6.251  -5.052
  574    HA   ASP  73           HA       ASP  73   5.151  -8.514  -4.343
  575    HB2  ASP  73           HB2      ASP  73   4.052  -8.200  -6.553
  576    HB3  ASP  73           HB3      ASP  73   5.097  -6.811  -6.873
  577    H    ALA  74           H        ALA  74   5.611  -5.195  -3.875
  578    HA   ALA  74           HA       ALA  74   8.567  -5.580  -3.773
  579    HB1  ALA  74           HB1      ALA  74   6.991  -3.230  -4.835
  580    HB2  ALA  74           HB2      ALA  74   8.771  -3.262  -4.653
  581    HB3  ALA  74           HB3      ALA  74   7.967  -4.359  -5.806
  582    H    MET  75           H        MET  75   5.747  -4.605  -2.044
  583    HA   MET  75           HA       MET  75   7.574  -3.404   0.016
  584    HB2  MET  75           HB2      MET  75   4.622  -2.865  -0.396
  585    HB3  MET  75           HB3      MET  75   5.593  -2.266   0.940
  586    HG2  MET  75           HG2      MET  75   6.146  -1.612  -1.981
  587    HG3  MET  75           HG3      MET  75   5.168  -0.627  -0.899
  588    HE1  MET  75           HE1      MET  75   6.391   1.302  -1.632
  589    HE2  MET  75           HE2      MET  75   6.276   1.594   0.105
  590    HE3  MET  75           HE3      MET  75   7.804   1.921  -0.735
  591    H    ASP  76           H        ASP  76   5.137  -5.981  -0.591
  592    HA   ASP  76           HA       ASP  76   4.620  -6.390   2.177
  593    HB2  ASP  76           HB2      ASP  76   3.269  -7.417   0.352
  594    HB3  ASP  76           HB3      ASP  76   4.649  -8.445  -0.069
  595    H    GLY  77           H        GLY  77   5.877  -7.168   3.754
  596    HA2  GLY  77           HA2      GLY  77   7.463  -8.442   4.830
  597    HA3  GLY  77           HA3      GLY  77   7.890  -9.212   3.290
  598    H    ALA  78           H        ALA  78   7.970  -5.877   2.797
  599    HA   ALA  78           HA       ALA  78  10.837  -5.788   2.609
  600    HB1  ALA  78           HB1      ALA  78   8.748  -3.578   2.505
  601    HB2  ALA  78           HB2      ALA  78  10.438  -3.447   1.975
  602    HB3  ALA  78           HB3      ALA  78   9.326  -4.538   1.124
  603    H    VAL  79           H        VAL  79  11.733  -3.466   3.565
  604    HA   VAL  79           HA       VAL  79  11.199  -3.425   6.497
  605    HB   VAL  79           HB       VAL  79  13.914  -3.657   5.130
  606   HG11  VAL  79          HG11      VAL  79  14.090  -2.166   7.047
  607   HG12  VAL  79          HG12      VAL  79  13.226  -3.341   8.071
  608   HG13  VAL  79          HG13      VAL  79  14.830  -3.730   7.417
  609   HG21  VAL  79          HG21      VAL  79  12.758  -5.812   5.245
  610   HG22  VAL  79          HG22      VAL  79  14.079  -5.769   6.428
  611   HG23  VAL  79          HG23      VAL  79  12.392  -5.566   6.963
  612    H    LEU  80           H        LEU  80  11.531  -1.414   7.450
  613    HA   LEU  80           HA       LEU  80  11.909   0.849   5.540
  614    HB2  LEU  80           HB2      LEU  80   9.741   0.507   6.819
  615    HB3  LEU  80           HB3      LEU  80  10.626   0.808   8.305
  616    HG   LEU  80           HG       LEU  80   9.363   2.734   7.560
  617   HD11  LEU  80          HD11      LEU  80  12.305   3.394   7.165
  618   HD12  LEU  80          HD12      LEU  80  11.012   4.462   7.740
  619   HD13  LEU  80          HD13      LEU  80  11.542   3.102   8.750
  620   HD21  LEU  80          HD21      LEU  80   9.907   3.956   5.505
  621   HD22  LEU  80          HD22      LEU  80  11.156   2.763   5.092
  622   HD23  LEU  80          HD23      LEU  80   9.443   2.285   5.119
  623    H    ASP  81           H        ASP  81  12.575  -0.126   8.945
  624    HA   ASP  81           HA       ASP  81  15.243   1.166   8.713
  625    HB2  ASP  81           HB2      ASP  81  13.615   2.793   9.698
  626    HB3  ASP  81           HB3      ASP  81  13.278   1.633  10.987
  627    H    GLY  82           H        GLY  82  13.431  -1.560   9.535
  628    HA2  GLY  82           HA2      GLY  82  15.418  -3.252  10.127
  629    HA3  GLY  82           HA3      GLY  82  15.202  -2.461  11.704
  630    H    ARG  83           H        ARG  83  12.171  -2.202  10.815
  631    HA   ARG  83           HA       ARG  83  11.380  -4.878  11.815
  632    HB2  ARG  83           HB2      ARG  83   9.222  -3.892  12.214
  633    HB3  ARG  83           HB3      ARG  83  10.484  -2.890  12.943
  634    HG2  ARG  83           HG2      ARG  83  10.336  -1.278  11.131
  635    HG3  ARG  83           HG3      ARG  83   9.205  -2.304  10.236
  636    HD2  ARG  83           HD2      ARG  83   8.033  -0.481  11.451
  637    HD3  ARG  83           HD3      ARG  83   7.514  -2.090  11.959
  638    HE   ARG  83           HE       ARG  83   9.663  -1.026  13.611
  639   HH11  ARG  83          HH11      ARG  83   6.167  -0.950  13.099
  640   HH12  ARG  83          HH12      ARG  83   5.813  -0.685  14.794
  641   HH21  ARG  83          HH21      ARG  83   9.177  -0.635  15.791
  642   HH22  ARG  83          HH22      ARG  83   7.511  -0.461  16.303
  643    H    GLU  84           H        GLU  84   8.788  -4.839  10.680
  644    HA   GLU  84           HA       GLU  84   9.478  -5.649   7.880
  645    HB2  GLU  84           HB2      GLU  84   7.458  -6.688   9.909
  646    HB3  GLU  84           HB3      GLU  84   7.386  -7.091   8.186
  647    HG2  GLU  84           HG2      GLU  84   9.742  -7.948   8.345
  648    HG3  GLU  84           HG3      GLU  84   9.722  -7.599  10.085
  649    H    LEU  85           H        LEU  85   7.568  -5.536   6.386
  650    HA   LEU  85           HA       LEU  85   5.704  -3.308   7.017
  651    HB2  LEU  85           HB2      LEU  85   7.382  -3.648   4.495
  652    HB3  LEU  85           HB3      LEU  85   6.059  -2.480   4.686
  653    HG   LEU  85           HG       LEU  85   8.621  -2.555   6.339
  654   HD11  LEU  85          HD11      LEU  85   9.156  -0.488   5.086
  655   HD12  LEU  85          HD12      LEU  85   8.966  -1.868   3.994
  656   HD13  LEU  85          HD13      LEU  85   7.656  -0.677   4.140
  657   HD21  LEU  85          HD21      LEU  85   7.862  -0.346   7.173
  658   HD22  LEU  85          HD22      LEU  85   6.332  -0.535   6.277
  659   HD23  LEU  85          HD23      LEU  85   6.733  -1.619   7.633
  660    H    ARG  86           H        ARG  86   3.752  -3.377   5.675
  661    HA   ARG  86           HA       ARG  86   3.183  -6.037   4.479
  662    HB2  ARG  86           HB2      ARG  86   1.870  -4.733   6.885
  663    HB3  ARG  86           HB3      ARG  86   0.993  -5.900   5.908
  664    HG2  ARG  86           HG2      ARG  86   3.627  -6.406   7.373
  665    HG3  ARG  86           HG3      ARG  86   2.018  -6.961   7.883
  666    HD2  ARG  86           HD2      ARG  86   1.825  -8.272   5.764
  667    HD3  ARG  86           HD3      ARG  86   3.461  -7.758   5.323
  668    HE   ARG  86           HE       ARG  86   3.283  -9.054   7.934
  669   HH11  ARG  86          HH11      ARG  86   3.683  -9.528   4.450
  670   HH12  ARG  86          HH12      ARG  86   4.475 -11.075   4.626
  671   HH21  ARG  86          HH21      ARG  86   4.364 -11.057   8.139
  672   HH22  ARG  86          HH22      ARG  86   4.856 -11.940   6.707
  673    H    VAL  87           H        VAL  87   1.499  -6.103   3.090
  674    HA   VAL  87           HA       VAL  87  -0.257  -3.855   2.587
  675    HB   VAL  87           HB       VAL  87   1.610  -2.856   1.531
  676   HG11  VAL  87          HG11      VAL  87   2.995  -4.009  -0.151
  677   HG12  VAL  87          HG12      VAL  87   3.170  -4.717   1.463
  678   HG13  VAL  87          HG13      VAL  87   2.179  -5.546   0.236
  679   HG21  VAL  87          HG21      VAL  87  -0.454  -2.861   0.168
  680   HG22  VAL  87          HG22      VAL  87   1.009  -2.831  -0.832
  681   HG23  VAL  87          HG23      VAL  87   0.105  -4.346  -0.656
  682    H    GLN  88           H        GLN  88  -2.087  -4.673   1.734
  683    HA   GLN  88           HA       GLN  88  -2.148  -6.908  -0.090
  684    HB2  GLN  88           HB2      GLN  88  -3.418  -8.424   1.384
  685    HB3  GLN  88           HB3      GLN  88  -1.760  -8.210   1.947
  686    HG2  GLN  88           HG2      GLN  88  -4.115  -6.642   3.078
  687    HG3  GLN  88           HG3      GLN  88  -3.574  -8.184   3.732
  688   HE21  GLN  88          HE22      GLN  88  -3.501  -5.089   4.506
  689   HE22  GLN  88          HE21      GLN  88  -1.906  -4.941   5.213
  690    H    MET  89           H        MET  89  -4.545  -7.568  -0.439
  691    HA   MET  89           HA       MET  89  -5.983  -5.185  -1.029
  692    HB2  MET  89           HB2      MET  89  -6.960  -8.064  -0.933
  693    HB3  MET  89           HB3      MET  89  -7.748  -6.717  -1.779
  694    HG2  MET  89           HG2      MET  89  -4.973  -7.818  -2.356
  695    HG3  MET  89           HG3      MET  89  -6.416  -8.097  -3.326
  696    HE1  MET  89           HE1      MET  89  -4.512  -7.355  -5.261
  697    HE2  MET  89           HE2      MET  89  -3.819  -5.719  -5.321
  698    HE3  MET  89           HE3      MET  89  -3.354  -6.821  -4.015
  699    H    ALA  90           H        ALA  90  -7.995  -4.418  -0.212
  700    HA   ALA  90           HA       ALA  90  -8.148  -4.420   2.654
  701    HB1  ALA  90           HB1      ALA  90  -8.723  -2.475   1.236
  702    HB2  ALA  90           HB2      ALA  90 -10.135  -3.367   0.606
  703    HB3  ALA  90           HB3      ALA  90 -10.052  -2.926   2.321
  704    H    ARG  91           H        ARG  91 -10.450  -4.655   3.683
  705    HA   ARG  91           HA       ARG  91 -11.698  -7.217   2.767
  706    HB2  ARG  91           HB2      ARG  91 -11.127  -6.265   5.594
  707    HB3  ARG  91           HB3      ARG  91 -12.025  -7.738   5.172
  708    HG2  ARG  91           HG2      ARG  91 -10.047  -8.683   4.088
  709    HG3  ARG  91           HG3      ARG  91  -9.150  -7.168   4.366
  710    HD2  ARG  91           HD2      ARG  91  -9.400  -7.446   6.796
  711    HD3  ARG  91           HD3      ARG  91 -10.307  -8.955   6.548
  712    HE   ARG  91           HE       ARG  91  -7.924  -9.354   5.192
  713   HH11  ARG  91          HH21      ARG  91  -8.822  -8.540   8.511
  714   HH12  ARG  91          HH22      ARG  91  -7.424  -9.310   9.215
  715   HH21  ARG  91          HH11      ARG  91  -6.095 -10.362   6.132
  716   HH22  ARG  91          HH12      ARG  91  -5.885 -10.345   7.866
  717    H    TYR  92           H        TYR  92 -12.230  -3.901   3.367
  718    HA   TYR  92           HA       TYR  92 -15.152  -4.325   3.466
  719    HB2  TYR  92           HB2      TYR  92 -13.653  -2.679   5.539
  720    HB3  TYR  92           HB3      TYR  92 -15.403  -2.835   5.399
  721    HD1  TYR  92           HD1      TYR  92 -16.527  -5.013   5.914
  722    HD2  TYR  92           HD2      TYR  92 -12.340  -4.343   6.646
  723    HE1  TYR  92           HE1      TYR  92 -16.483  -6.973   7.431
  724    HE2  TYR  92           HE2      TYR  92 -12.289  -6.297   8.171
  725    HH   TYR  92           HH       TYR  92 -15.200  -8.289   8.811
  726    H    GLY  93           H        GLY  93 -16.230  -2.070   3.558
  727    HA2  GLY  93           HA2      GLY  93 -14.797  -0.211   1.718
  728    HA3  GLY  93           HA3      GLY  93 -16.561  -0.459   1.755
  729    H    ARG  94           H        ARG  94 -14.891  -0.491   4.734
  730    HA   ARG  94           HA       ARG  94 -14.149   1.230   6.117
  731    HB2  ARG  94           HB2      ARG  94 -16.568   2.739   5.104
  732    HB3  ARG  94           HB3      ARG  94 -15.685   3.171   6.573
  733    HG2  ARG  94           HG2      ARG  94 -13.540   3.199   5.215
  734    HG3  ARG  94           HG3      ARG  94 -14.517   3.044   3.756
  735    HD2  ARG  94           HD2      ARG  94 -14.470   5.327   5.760
  736    HD3  ARG  94           HD3      ARG  94 -14.057   5.375   4.046
  737    HE   ARG  94           HE       ARG  94 -16.368   5.287   3.471
  738   HH11  ARG  94          HH11      ARG  94 -15.832   5.392   6.975
  739   HH12  ARG  94          HH12      ARG  94 -17.447   5.950   7.321
  740   HH21  ARG  94          HH21      ARG  94 -18.484   5.976   3.964
  741   HH22  ARG  94          HH22      ARG  94 -18.946   6.256   5.630
  742    HA   PRO  95           HA       PRO  95 -16.272  -0.887   9.278
  743    HB2  PRO  95           HB2      PRO  95 -15.883   0.831  11.418
  744    HB3  PRO  95           HB3      PRO  95 -14.644  -0.262  10.729
  745    HG2  PRO  95           HG2      PRO  95 -15.034   2.690  10.128
  746    HG3  PRO  95           HG3      PRO  95 -13.498   1.869  10.476
  747    HD2  PRO  95           HD2      PRO  95 -14.239   2.348   7.949
  748    HD3  PRO  95           HD3      PRO  95 -13.506   0.771   8.373
  749    HA   PRO  96           HA       PRO  96 -20.449   0.519   9.134
  750    HB2  PRO  96           HB2      PRO  96 -20.637  -0.686  11.887
  751    HB3  PRO  96           HB3      PRO  96 -21.723  -0.920  10.480
  752    HG2  PRO  96           HG2      PRO  96 -19.904  -2.818  11.120
  753    HG3  PRO  96           HG3      PRO  96 -20.132  -2.336   9.400
  754    HD2  PRO  96           HD2      PRO  96 -17.955  -1.478  11.307
  755    HD3  PRO  96           HD3      PRO  96 -17.848  -1.967   9.588
  756    H    ASP  97           H        ASP  97 -18.475   1.267  11.975
  757    HA   ASP  97           HA       ASP  97 -19.592   3.955  12.102
  758    HB2  ASP  97           HB2      ASP  97 -21.092   2.499  13.568
  759    HB3  ASP  97           HB3      ASP  97 -19.667   2.171  14.567
  760    H    SER  98           H        SER  98 -18.268   5.157  13.946
  761    HA   SER  98           HA       SER  98 -15.653   5.172  13.070
  762    HB2  SER  98           HB2      SER  98 -16.634   5.992  15.827
  763    HB3  SER  98           HB3      SER  98 -15.145   6.547  15.027
  764    HG   SER  98           HG       SER  98 -16.520   7.379  13.353
  765    H    HIS  99           H        HIS  99 -16.814   3.530  16.071
  766    HA   HIS  99           HA       HIS  99 -14.859   1.439  15.838
  767    HB2  HIS  99           HB2      HIS  99 -13.408   3.379  16.522
  768    HB3  HIS  99           HB3      HIS  99 -14.358   3.526  18.008
  769    HD2  HIS  99           HD2      HIS  99 -12.619   2.787  19.799
  770    HE1  HIS  99           HE1      HIS  99 -11.432  -0.942  18.129
  771    HE2  HIS  99           HE2      HIS  99 -11.216   0.601  20.148
  772    H    HIS 100           H        HIS 100 -17.752   1.844  16.283
  773    HA   HIS 100           HA       HIS 100 -18.019   0.630  18.991
  774    HB2  HIS 100           HB2      HIS 100 -19.887   2.726  17.858
  775    HB3  HIS 100           HB3      HIS 100 -19.830   2.117  19.514
  776    HD2  HIS 100           HD2      HIS 100 -17.926   3.146  21.141
  777    HE1  HIS 100           HE1      HIS 100 -16.474   6.106  18.448
  778    HE2  HIS 100           HE2      HIS 100 -16.424   5.277  20.862
  779    H    SER 101           H        SER 101 -18.415   0.025  15.813
  780    HA   SER 101           HA       SER 101 -20.598  -1.900  16.307
  781    HB2  SER 101           HB2      SER 101 -20.625   0.134  14.042
  782    HB3  SER 101           HB3      SER 101 -21.729  -1.247  14.205
  783    HG   SER 101           HG       SER 101 -22.611   0.717  15.051
  784    H5'    U 102           H5'        U 102  -6.605  -5.167  14.525
  785   H5''    U 102          H5''        U 102  -5.166  -5.538  15.495
  786    H4'    U 102           H4'        U 102  -5.737  -2.740  14.404
  787    H3'    U 102           H3'        U 102  -5.138  -4.979  12.817
  788    H2'    U 102           H2'        U 102  -2.979  -5.291  13.839
  789   HO2'    U 102          HO2'        U 102  -2.655  -3.412  11.724
  790    H1'    U 102           H1'        U 102  -2.876  -2.269  13.909
  791    H3     U 102           H3         U 102  -0.075  -5.163  17.431
  792    H5     U 102           H5         U 102   1.477  -2.066  15.049
  793    H6     U 102           H6         U 102  -0.714  -1.929  13.951
  794   HO5'    U 102          HO5'        U 102  -6.994  -5.001  16.788
  795    H5'    C 103           H5'        C 103  -7.494  -2.490  11.648
  796   H5''    C 103          H5''        C 103  -7.596  -3.684  10.352
  797    H4'    C 103           H4'        C 103  -8.375  -0.741  10.196
  798    H3'    C 103           H3'        C 103  -9.801  -2.773  11.285
  799    H2'    C 103           H2'        C 103  -9.312  -4.346   9.521
  800   HO2'    C 103          HO2'        C 103 -11.821  -3.109   8.982
  801    H1'    C 103           H1'        C 103 -10.128  -2.347   7.444
  802    H41    C 103           H41        C 103  -6.969  -6.374   3.676
  803    H42    C 103           H42        C 103  -5.959  -6.924   5.000
  804    H5     C 103           H5         C 103  -6.204  -6.078   7.295
  805    H6     C 103           H6         C 103  -7.383  -4.536   8.684
  806    H5'    C 104           H5'        C 104  -9.953   2.348  11.584
  807   H5''    C 104          H5''        C 104 -11.708   2.559  11.622
  808    H4'    C 104           H4'        C 104 -10.314   4.395  10.432
  809    H3'    C 104           H3'        C 104 -12.589   2.964   9.062
  810    H2'    C 104           H2'        C 104 -12.282   4.289   7.182
  811   HO2'    C 104          HO2'        C 104 -12.064   6.338   8.217
  812    H1'    C 104           H1'        C 104  -9.521   4.395   7.334
  813    H41    C 104           H41        C 104 -11.423   0.246   2.869
  814    H42    C 104           H42        C 104 -12.184  -0.786   4.068
  815    H5     C 104           H5         C 104 -12.190  -0.254   6.465
  816    H6     C 104           H6         C 104 -11.559   1.421   8.100
  817    H5'    A 105           H5'        A 105 -15.977   7.207  10.391
  818   H5''    A 105          H5''        A 105 -15.136   8.618   9.738
  819    H4'    A 105           H4'        A 105 -14.897   8.493  12.182
  820    H3'    A 105           H3'        A 105 -12.728   8.712  10.252
  821    H2'    A 105           H2'        A 105 -11.646   6.911  11.183
  822   HO2'    A 105          HO2'        A 105 -10.338   8.679  11.832
  823    H1'    A 105           H1'        A 105 -13.133   7.642  13.766
  824    H8     A 105           H8         A 105 -11.436   4.744  11.921
  825    H61    A 105           H61        A 105  -9.788   2.818  17.595
  826    H62    A 105           H62        A 105  -9.640   2.481  15.879
  827    H2     A 105           H2         A 105 -12.320   6.411  18.026
  828    H5'    G 106           H5'        G 106 -11.125  11.840  10.385
  829   H5''    G 106          H5''        G 106 -12.253  13.216  10.293
  830    H4'    G 106           H4'        G 106 -11.158  13.375   8.241
  831    H3'    G 106           H3'        G 106 -13.614  11.650   7.834
  832    H2'    G 106           H2'        G 106 -13.119  11.634   5.525
  833   HO2'    G 106          HO2'        G 106 -12.604  13.926   5.413
  834    H1'    G 106           H1'        G 106 -10.358  11.468   5.848
  835    H8     G 106           H8         G 106 -13.184   9.396   7.595
  836    H1     G 106           H1         G 106  -9.616   6.361   3.197
  837    H21    G 106           H21        G 106  -8.065   7.706   2.431
  838    H22    G 106           H22        G 106  -7.909   9.361   2.997
  839    H5'    U 107           H5'        U 107 -13.494  15.743   5.471
  840   H5''    U 107          H5''        U 107 -15.110  16.392   5.858
  841    H4'    U 107           H4'        U 107 -15.888  16.096   3.627
  842    H3'    U 107           H3'        U 107 -13.421  14.374   3.210
  843   HO3'    U 107          HO3'        U 107 -15.444  13.380   3.810
  844    H2'    U 107           H2'        U 107 -13.680  14.883   0.865
  845   HO2'    U 107          HO2'        U 107 -16.080  14.814   1.004
  846    H1'    U 107           H1'        U 107 -14.205  17.508   1.286
  847    H3     U 107           H3         U 107  -9.332  16.819   3.107
  848    H5     U 107           H5         U 107 -10.239  17.171  -0.973
  849    H6     U 107           H6         U 107 -12.584  16.969  -0.411
  Start of MODEL    9
    1    H    MET   1           H1       MET   1  -0.461  16.965   7.100
    2    HA   MET   1           HA       MET   1  -0.450  15.312   5.386
    3    HB2  MET   1           HB2      MET   1  -3.226  15.862   6.524
    4    HB3  MET   1           HB3      MET   1  -2.678  14.328   5.819
    5    HG2  MET   1           HG2      MET   1  -0.841  14.255   7.520
    6    HG3  MET   1           HG3      MET   1  -1.534  15.688   8.284
    7    HE1  MET   1           HE1      MET   1  -3.883  15.755   9.469
    8    HE2  MET   1           HE2      MET   1  -4.694  15.111   8.017
    9    HE3  MET   1           HE3      MET   1  -4.976  14.363   9.603
   10    H    SER   2           H        SER   2  -2.500  14.396   3.867
   11    HA   SER   2           HA       SER   2  -3.303  16.537   2.001
   12    HB2  SER   2           HB2      SER   2  -2.368  15.339   0.075
   13    HB3  SER   2           HB3      SER   2  -1.080  15.776   1.206
   14    HG   SER   2           HG       SER   2  -1.138  13.657   2.009
   15    H    TYR   3           H        TYR   3  -4.443  14.357   3.945
   16    HA   TYR   3           HA       TYR   3  -5.749  12.401   2.349
   17    HB2  TYR   3           HB2      TYR   3  -6.471  13.558   5.072
   18    HB3  TYR   3           HB3      TYR   3  -7.186  12.124   4.366
   19    HD1  TYR   3           HD2      TYR   3  -3.834  11.908   3.353
   20    HD2  TYR   3           HD1      TYR   3  -6.326  11.588   6.851
   21    HE1  TYR   3           HE2      TYR   3  -2.155  10.447   4.416
   22    HE2  TYR   3           HE1      TYR   3  -4.648  10.104   7.913
   23    HH   TYR   3           HH       TYR   3  -2.641   9.033   7.676
   24    H    GLY   4           H        GLY   4  -8.159  12.159   2.371
   25    HA2  GLY   4           HA2      GLY   4  -9.891  14.447   2.367
   26    HA3  GLY   4           HA3      GLY   4  -9.453  13.980   0.713
   27    H    ARG   5           H        ARG   5 -12.139  13.756   1.567
   28    HA   ARG   5           HA       ARG   5 -12.839  11.297   2.701
   29    HB2  ARG   5           HB2      ARG   5 -15.045  11.727   1.761
   30    HB3  ARG   5           HB3      ARG   5 -14.339  13.220   2.404
   31    HG2  ARG   5           HG2      ARG   5 -13.606  13.813   0.061
   32    HG3  ARG   5           HG3      ARG   5 -14.462  12.367  -0.522
   33    HD2  ARG   5           HD2      ARG   5 -15.710  14.732   0.935
   34    HD3  ARG   5           HD3      ARG   5 -15.814  14.418  -0.790
   35    HE   ARG   5           HE       ARG   5 -17.201  12.503  -0.384
   36   HH11  ARG   5          HH11      ARG   5 -16.512  14.389   2.548
   37   HH12  ARG   5          HH12      ARG   5 -17.850  13.695   3.430
   38   HH21  ARG   5          HH21      ARG   5 -18.934  11.637   0.806
   39   HH22  ARG   5          HH22      ARG   5 -19.194  12.143   2.462
   40    HA   PRO   6           HA       PRO   6 -12.119   8.345  -0.552
   41    HB2  PRO   6           HB2      PRO   6 -13.964   6.435   0.150
   42    HB3  PRO   6           HB3      PRO   6 -12.464   6.747   1.089
   43    HG2  PRO   6           HG2      PRO   6 -15.260   7.790   1.621
   44    HG3  PRO   6           HG3      PRO   6 -14.122   7.042   2.788
   45    HD2  PRO   6           HD2      PRO   6 -14.379   9.768   2.539
   46    HD3  PRO   6           HD3      PRO   6 -12.796   9.015   2.880
   47    HA   PRO   7           HA       PRO   7 -15.125   9.396  -3.579
   48    HB2  PRO   7           HB2      PRO   7 -14.937   7.353  -5.403
   49    HB3  PRO   7           HB3      PRO   7 -13.628   8.548  -5.131
   50    HG2  PRO   7           HG2      PRO   7 -13.880   5.764  -3.977
   51    HG3  PRO   7           HG3      PRO   7 -12.443   6.527  -4.735
   52    HD2  PRO   7           HD2      PRO   7 -12.777   6.436  -2.021
   53    HD3  PRO   7           HD3      PRO   7 -12.014   7.838  -2.830
   54    HA   PRO   8           HA       PRO   8 -18.895   7.389  -2.520
   55    HB2  PRO   8           HB2      PRO   8 -20.580   8.278  -4.471
   56    HB3  PRO   8           HB3      PRO   8 -19.805   9.400  -3.299
   57    HG2  PRO   8           HG2      PRO   8 -18.866   8.709  -6.108
   58    HG3  PRO   8           HG3      PRO   8 -19.119  10.341  -5.403
   59    HD2  PRO   8           HD2      PRO   8 -16.663   9.140  -5.449
   60    HD3  PRO   8           HD3      PRO   8 -17.176  10.157  -4.067
   61    H    ASP   9           H        ASP   9 -16.924   6.053  -4.673
   62    HA   ASP   9           HA       ASP   9 -18.867   3.959  -5.441
   63    HB2  ASP   9           HB2      ASP   9 -18.575   5.603  -7.316
   64    HB3  ASP   9           HB3      ASP   9 -16.852   5.215  -7.341
   65    H    VAL  10           H        VAL  10 -16.441   4.469  -3.510
   66    HA   VAL  10           HA       VAL  10 -14.282   2.855  -4.298
   67    HB   VAL  10           HB       VAL  10 -14.308   4.406  -2.368
   68   HG11  VAL  10          HG11      VAL  10 -15.973   2.261  -0.984
   69   HG12  VAL  10          HG12      VAL  10 -15.301   3.714  -0.229
   70   HG13  VAL  10          HG13      VAL  10 -16.548   3.876  -1.481
   71   HG21  VAL  10          HG21      VAL  10 -12.977   3.068  -0.853
   72   HG22  VAL  10          HG22      VAL  10 -13.636   1.562  -1.523
   73   HG23  VAL  10          HG23      VAL  10 -12.605   2.602  -2.533
   74    H    GLU  11           H        GLU  11 -17.507   1.940  -3.383
   75    HA   GLU  11           HA       GLU  11 -16.926  -0.776  -2.565
   76    HB2  GLU  11           HB2      GLU  11 -19.504   0.506  -3.560
   77    HB3  GLU  11           HB3      GLU  11 -19.360  -1.048  -2.716
   78    HG2  GLU  11           HG2      GLU  11 -18.353   0.132  -0.763
   79    HG3  GLU  11           HG3      GLU  11 -18.595   1.678  -1.594
   80    H    GLY  12           H        GLY  12 -16.446   0.659  -5.466
   81    HA2  GLY  12           HA2      GLY  12 -16.864  -1.858  -6.989
   82    HA3  GLY  12           HA3      GLY  12 -17.491  -0.323  -7.629
   83    H    MET  13           H        MET  13 -14.525  -0.401  -5.744
   84    HA   MET  13           HA       MET  13 -12.845  -0.172  -8.199
   85    HB2  MET  13           HB2      MET  13 -12.844   1.673  -5.775
   86    HB3  MET  13           HB3      MET  13 -11.645   1.705  -7.084
   87    HG2  MET  13           HG2      MET  13 -13.258   2.400  -8.687
   88    HG3  MET  13           HG3      MET  13 -14.610   2.034  -7.613
   89    HE1  MET  13           HE1      MET  13 -11.346   3.870  -6.344
   90    HE2  MET  13           HE2      MET  13 -11.440   4.313  -8.067
   91    HE3  MET  13           HE3      MET  13 -11.707   5.552  -6.824
   92    H    THR  14           H        THR  14 -10.532  -0.528  -7.720
   93    HA   THR  14           HA       THR  14 -10.192  -2.824  -6.006
   94    HB   THR  14           HB       THR  14  -8.134  -1.084  -7.422
   95   HG21  THR  14          HG21      THR  14  -7.984  -3.908  -6.305
   96   HG22  THR  14          HG22      THR  14  -6.804  -3.224  -7.447
   97   HG23  THR  14          HG23      THR  14  -6.977  -2.510  -5.841
   98    H    SER  15           H        SER  15  -8.454  -2.941  -4.303
   99    HA   SER  15           HA       SER  15  -7.824  -0.445  -2.860
  100    HB2  SER  15           HB2      SER  15  -8.814  -1.302  -0.769
  101    HB3  SER  15           HB3      SER  15 -10.053  -0.983  -2.001
  102    HG   SER  15           HG       SER  15 -10.420  -2.999  -1.075
  103    H    LEU  16           H        LEU  16  -5.922  -0.617  -1.848
  104    HA   LEU  16           HA       LEU  16  -4.932  -3.328  -1.120
  105    HB2  LEU  16           HB2      LEU  16  -4.025  -2.712  -3.386
  106    HB3  LEU  16           HB3      LEU  16  -3.286  -1.283  -2.649
  107    HG   LEU  16           HG       LEU  16  -2.244  -3.044  -0.953
  108   HD11  LEU  16          HD11      LEU  16  -3.580  -4.953  -1.900
  109   HD12  LEU  16          HD12      LEU  16  -2.722  -4.741  -3.441
  110   HD13  LEU  16          HD13      LEU  16  -1.821  -5.220  -1.989
  111   HD21  LEU  16          HD21      LEU  16  -0.339  -3.363  -2.587
  112   HD22  LEU  16          HD22      LEU  16  -1.376  -2.644  -3.830
  113   HD23  LEU  16          HD23      LEU  16  -0.880  -1.680  -2.416
  114    H    LYS  17           H        LYS  17  -5.223  -2.852   1.065
  115    HA   LYS  17           HA       LYS  17  -4.308  -0.542   2.425
  116    HB2  LYS  17           HB2      LYS  17  -5.855  -1.852   3.518
  117    HB3  LYS  17           HB3      LYS  17  -4.955  -3.366   3.235
  118    HG2  LYS  17           HG2      LYS  17  -3.287  -2.704   4.878
  119    HG3  LYS  17           HG3      LYS  17  -4.043  -1.089   5.055
  120    HD2  LYS  17           HD2      LYS  17  -6.104  -2.154   5.888
  121    HD3  LYS  17           HD3      LYS  17  -5.395  -3.757   5.610
  122    HE2  LYS  17           HE2      LYS  17  -5.249  -3.229   7.965
  123    HE3  LYS  17           HE3      LYS  17  -3.621  -3.258   7.271
  124    HZ1  LYS  17           HZ1      LYS  17  -3.677  -0.860   7.219
  125    HZ2  LYS  17           HZ2      LYS  17  -5.223  -0.843   7.788
  126    HZ3  LYS  17           HZ3      LYS  17  -3.993  -1.400   8.732
  127    H    VAL  18           H        VAL  18  -2.487  -0.141   3.639
  128    HA   VAL  18           HA       VAL  18  -0.141  -1.973   3.441
  129    HB   VAL  18           HB       VAL  18  -0.273   1.029   3.066
  130   HG11  VAL  18          HG11      VAL  18   1.659   0.415   4.466
  131   HG12  VAL  18          HG12      VAL  18   2.201  -0.736   3.223
  132   HG13  VAL  18          HG13      VAL  18   2.152   1.012   2.877
  133   HG21  VAL  18          HG21      VAL  18   0.753   0.646   0.878
  134   HG22  VAL  18          HG22      VAL  18   0.728  -1.104   1.144
  135   HG23  VAL  18          HG23      VAL  18  -0.801  -0.201   1.004
  136    H    ASP  19           H        ASP  19   0.870  -2.202   5.408
  137    HA   ASP  19           HA       ASP  19   0.320  -0.385   7.637
  138    HB2  ASP  19           HB2      ASP  19  -0.796  -2.075   8.997
  139    HB3  ASP  19           HB3      ASP  19  -1.707  -1.800   7.510
  140    H    ASN  20           H        ASN  20   1.007  -1.736   9.747
  141    HA   ASN  20           HA       ASN  20   2.551  -2.641  11.035
  142    HB2  ASN  20           HB2      ASN  20   2.426  -4.535   9.214
  143    HB3  ASN  20           HB3      ASN  20   4.037  -3.953   8.789
  144   HD21  ASN  20          HD22      ASN  20   5.746  -4.673  10.046
  145   HD22  ASN  20          HD21      ASN  20   5.553  -5.583  11.532
  146    H    LEU  21           H        LEU  21   3.291  -0.261   8.882
  147    HA   LEU  21           HA       LEU  21   6.072   0.013   9.067
  148    HB2  LEU  21           HB2      LEU  21   5.649   2.423   8.677
  149    HB3  LEU  21           HB3      LEU  21   4.885   1.332   7.537
  150    HG   LEU  21           HG       LEU  21   3.505   3.266   8.102
  151   HD11  LEU  21          HD11      LEU  21   2.126   0.788   9.172
  152   HD12  LEU  21          HD12      LEU  21   1.436   2.162   8.309
  153   HD13  LEU  21          HD13      LEU  21   2.496   1.040   7.435
  154   HD21  LEU  21          HD21      LEU  21   4.166   3.506  10.492
  155   HD22  LEU  21          HD22      LEU  21   2.410   3.524  10.237
  156   HD23  LEU  21          HD23      LEU  21   3.191   2.062  10.876
  157    H    THR  22           H        THR  22   7.119   1.994  10.237
  158    HA   THR  22           HA       THR  22   7.207   1.097  12.979
  159    HB   THR  22           HB       THR  22   9.067   2.585  13.222
  160   HG21  THR  22          HG21      THR  22   9.511   0.630  11.788
  161   HG22  THR  22          HG22      THR  22   9.081   1.590  10.350
  162   HG23  THR  22          HG23      THR  22  10.502   2.029  11.327
  163    H    TYR  23           H        TYR  23   7.370   2.666  14.805
  164    HA   TYR  23           HA       TYR  23   5.006   4.336  14.982
  165    HB2  TYR  23           HB2      TYR  23   5.759   4.652  17.292
  166    HB3  TYR  23           HB3      TYR  23   5.805   2.950  16.845
  167    HD1  TYR  23           HD2      TYR  23   7.955   1.781  16.514
  168    HD2  TYR  23           HD1      TYR  23   7.791   5.882  17.803
  169    HE1  TYR  23           HE2      TYR  23  10.345   1.660  17.181
  170    HE2  TYR  23           HE1      TYR  23  10.172   5.764  18.491
  171    HH   TYR  23           HH       TYR  23  12.051   4.451  18.648
  172    H    ARG  24           H        ARG  24   7.632   4.918  13.246
  173    HA   ARG  24           HA       ARG  24   7.860   7.801  14.015
  174    HB2  ARG  24           HB2      ARG  24   9.982   5.893  12.960
  175    HB3  ARG  24           HB3      ARG  24  10.216   7.637  13.199
  176    HG2  ARG  24           HG2      ARG  24   9.616   5.588  15.363
  177    HG3  ARG  24           HG3      ARG  24  11.186   6.336  15.054
  178    HD2  ARG  24           HD2      ARG  24   8.660   7.822  15.864
  179    HD3  ARG  24           HD3      ARG  24  10.027   7.423  16.936
  180    HE   ARG  24           HE       ARG  24  11.229   8.792  14.897
  181   HH11  ARG  24          HH11      ARG  24   8.501   9.513  17.021
  182   HH12  ARG  24          HH12      ARG  24   8.764  11.241  16.976
  183   HH21  ARG  24          HH21      ARG  24  11.561  11.040  14.851
  184   HH22  ARG  24          HH22      ARG  24  10.499  12.106  15.739
  185    H    THR  25           H        THR  25   6.962   5.546  11.611
  186    HA   THR  25           HA       THR  25   7.567   7.059   9.261
  187    HB   THR  25           HB       THR  25   5.263   5.148   9.826
  188   HG21  THR  25          HG21      THR  25   4.882   6.229   7.697
  189   HG22  THR  25          HG22      THR  25   6.601   6.057   7.249
  190   HG23  THR  25          HG23      THR  25   5.561   4.620   7.374
  191    H    SER  26           H        SER  26   5.715   8.088   7.882
  192    HA   SER  26           HA       SER  26   3.915   9.709   9.615
  193    HB2  SER  26           HB2      SER  26   5.984  10.707   7.615
  194    HB3  SER  26           HB3      SER  26   4.731  11.732   8.342
  195    HG   SER  26           HG       SER  26   6.707  11.821   9.477
  196    HA   PRO  27           HA       PRO  27   1.053   9.244   6.319
  197    HB2  PRO  27           HB2      PRO  27  -0.283  11.631   6.238
  198    HB3  PRO  27           HB3      PRO  27  -0.427  10.483   7.615
  199    HG2  PRO  27           HG2      PRO  27   1.367  12.910   7.407
  200    HG3  PRO  27           HG3      PRO  27   0.255  12.462   8.746
  201    HD2  PRO  27           HD2      PRO  27   2.890  11.871   8.865
  202    HD3  PRO  27           HD3      PRO  27   1.676  10.706   9.457
  203    H    ASP  28           H        ASP  28   3.272  12.025   6.195
  204    HA   ASP  28           HA       ASP  28   2.729  12.638   3.418
  205    HB2  ASP  28           HB2      ASP  28   3.627  14.276   5.047
  206    HB3  ASP  28           HB3      ASP  28   5.114  13.321   5.175
  207    H    THR  29           H        THR  29   4.937  10.418   5.152
  208    HA   THR  29           HA       THR  29   6.634  10.044   2.819
  209    HB   THR  29           HB       THR  29   7.158   7.796   4.058
  210   HG21  THR  29          HG21      THR  29   7.864  10.516   5.253
  211   HG22  THR  29          HG22      THR  29   8.778   9.004   5.483
  212   HG23  THR  29          HG23      THR  29   8.678   9.742   3.873
  213    H    LEU  30           H        LEU  30   4.010   8.050   4.376
  214    HA   LEU  30           HA       LEU  30   4.203   6.026   2.424
  215    HB2  LEU  30           HB2      LEU  30   1.725   6.803   3.990
  216    HB3  LEU  30           HB3      LEU  30   2.091   5.249   3.216
  217    HG   LEU  30           HG       LEU  30   3.949   6.408   5.327
  218   HD11  LEU  30          HD11      LEU  30   1.546   4.581   5.758
  219   HD12  LEU  30          HD12      LEU  30   2.750   5.020   6.983
  220   HD13  LEU  30          HD13      LEU  30   1.686   6.270   6.310
  221   HD21  LEU  30          HD21      LEU  30   4.804   4.564   3.932
  222   HD22  LEU  30          HD22      LEU  30   4.527   4.013   5.599
  223   HD23  LEU  30          HD23      LEU  30   3.363   3.594   4.331
  224    H    ARG  31           H        ARG  31   2.504   9.145   2.366
  225    HA   ARG  31           HA       ARG  31   0.908   8.684   0.046
  226    HB2  ARG  31           HB2      ARG  31   0.551  10.653   1.424
  227    HB3  ARG  31           HB3      ARG  31   2.250  11.130   1.288
  228    HG2  ARG  31           HG2      ARG  31   0.856  12.576  -0.095
  229    HG3  ARG  31           HG3      ARG  31   1.954  11.619  -1.104
  230    HD2  ARG  31           HD2      ARG  31   0.025   9.942  -1.343
  231    HD3  ARG  31           HD3      ARG  31  -1.020  11.193  -0.652
  232    HE   ARG  31           HE       ARG  31   0.270  11.168  -3.306
  233   HH11  ARG  31          HH11      ARG  31  -1.482  13.127  -0.918
  234   HH12  ARG  31          HH12      ARG  31  -1.998  14.287  -2.115
  235   HH21  ARG  31          HH21      ARG  31  -0.401  12.657  -4.787
  236   HH22  ARG  31          HH22      ARG  31  -1.387  14.033  -4.325
  237    H    ARG  32           H        ARG  32   4.330   9.799   0.351
  238    HA   ARG  32           HA       ARG  32   4.434  10.070  -2.588
  239    HB2  ARG  32           HB2      ARG  32   5.369  11.774  -1.056
  240    HB3  ARG  32           HB3      ARG  32   6.449  10.562  -0.354
  241    HG2  ARG  32           HG2      ARG  32   7.533  10.260  -2.577
  242    HG3  ARG  32           HG3      ARG  32   6.485  11.544  -3.239
  243    HD2  ARG  32           HD2      ARG  32   8.445  11.825  -0.916
  244    HD3  ARG  32           HD3      ARG  32   8.731  12.386  -2.574
  245    HE   ARG  32           HE       ARG  32   7.100  14.101  -2.295
  246   HH11  ARG  32          HH11      ARG  32   7.679  12.266   0.688
  247   HH12  ARG  32          HH12      ARG  32   6.893  13.463   1.691
  248   HH21  ARG  32          HH21      ARG  32   6.120  15.647  -0.921
  249   HH22  ARG  32          HH22      ARG  32   6.043  15.347   0.799
  250    H    VAL  33           H        VAL  33   5.944   8.101  -0.028
  251    HA   VAL  33           HA       VAL  33   7.771   6.719  -1.711
  252    HB   VAL  33           HB       VAL  33   8.081   5.217   0.188
  253   HG11  VAL  33          HG11      VAL  33   7.580   8.067   1.133
  254   HG12  VAL  33          HG12      VAL  33   8.516   6.814   1.981
  255   HG13  VAL  33          HG13      VAL  33   9.054   7.426   0.401
  256   HG21  VAL  33          HG21      VAL  33   6.510   5.509   2.180
  257   HG22  VAL  33          HG22      VAL  33   5.368   6.169   0.956
  258   HG23  VAL  33          HG23      VAL  33   6.009   4.522   0.792
  259    H    PHE  34           H        PHE  34   4.301   6.257  -1.172
  260    HA   PHE  34           HA       PHE  34   4.460   3.706  -2.720
  261    HB2  PHE  34           HB2      PHE  34   2.357   4.973  -0.972
  262    HB3  PHE  34           HB3      PHE  34   1.951   3.702  -2.107
  263    HD1  PHE  34           HD1      PHE  34   2.773   1.413  -1.872
  264    HD2  PHE  34           HD2      PHE  34   3.696   4.442   1.025
  265    HE1  PHE  34           HE1      PHE  34   3.434  -0.349  -0.260
  266    HE2  PHE  34           HE2      PHE  34   4.464   2.672   2.616
  267    HZ   PHE  34           HZ       PHE  34   4.308   0.296   1.983
  268    H    GLU  35           H        GLU  35   3.589   7.095  -3.096
  269    HA   GLU  35           HA       GLU  35   1.691   6.751  -5.192
  270    HB2  GLU  35           HB2      GLU  35   1.834   8.833  -4.085
  271    HB3  GLU  35           HB3      GLU  35   3.559   9.041  -4.512
  272    HG2  GLU  35           HG2      GLU  35   2.961   9.315  -6.851
  273    HG3  GLU  35           HG3      GLU  35   1.269   8.905  -6.509
  274    H    LYS  36           H        LYS  36   5.150   6.392  -5.052
  275    HA   LYS  36           HA       LYS  36   5.717   6.899  -7.832
  276    HB2  LYS  36           HB2      LYS  36   7.921   6.155  -7.322
  277    HB3  LYS  36           HB3      LYS  36   7.318   6.998  -5.876
  278    HG2  LYS  36           HG2      LYS  36   6.807   4.869  -4.793
  279    HG3  LYS  36           HG3      LYS  36   7.329   3.975  -6.237
  280    HD2  LYS  36           HD2      LYS  36   9.099   3.970  -4.561
  281    HD3  LYS  36           HD3      LYS  36   9.606   4.871  -6.003
  282    HE2  LYS  36           HE2      LYS  36   9.078   7.000  -4.860
  283    HE3  LYS  36           HE3      LYS  36   8.537   6.103  -3.429
  284    HZ1  LYS  36           HZ1      LYS  36  11.261   6.061  -4.544
  285    HZ2  LYS  36           HZ2      LYS  36  10.787   6.863  -3.186
  286    HZ3  LYS  36           HZ3      LYS  36  10.758   5.223  -3.216
  287    H    TYR  37           H        TYR  37   4.437   4.185  -6.105
  288    HA   TYR  37           HA       TYR  37   5.206   2.151  -8.029
  289    HB2  TYR  37           HB2      TYR  37   3.195   2.226  -5.762
  290    HB3  TYR  37           HB3      TYR  37   3.455   0.803  -6.779
  291    HD1  TYR  37           HD1      TYR  37   5.283   3.202  -4.587
  292    HD2  TYR  37           HD2      TYR  37   5.162  -0.710  -6.355
  293    HE1  TYR  37           HE1      TYR  37   7.344   2.589  -3.345
  294    HE2  TYR  37           HE2      TYR  37   7.189  -1.355  -5.086
  295    HH   TYR  37           HH       TYR  37   8.909   0.943  -2.946
  296    H    GLY  38           H        GLY  38   2.812   4.640  -7.979
  297    HA2  GLY  38           HA2      GLY  38   2.280   4.448 -10.688
  298    HA3  GLY  38           HA3      GLY  38   1.069   3.376  -9.936
  299    H    ARG  39           H        ARG  39  -0.276   4.210  -8.280
  300    HA   ARG  39           HA       ARG  39  -0.296   7.048  -7.680
  301    HB2  ARG  39           HB2      ARG  39  -2.645   7.389  -8.235
  302    HB3  ARG  39           HB3      ARG  39  -1.672   7.112  -9.669
  303    HG2  ARG  39           HG2      ARG  39  -3.455   5.003  -8.379
  304    HG3  ARG  39           HG3      ARG  39  -3.935   6.061  -9.701
  305    HD2  ARG  39           HD2      ARG  39  -1.708   3.998  -9.791
  306    HD3  ARG  39           HD3      ARG  39  -3.294   3.893 -10.576
  307    HE   ARG  39           HE       ARG  39  -2.045   6.283 -11.448
  308   HH11  ARG  39          HH11      ARG  39  -1.621   2.782 -11.739
  309   HH12  ARG  39          HH12      ARG  39  -0.861   2.891 -13.310
  310   HH21  ARG  39          HH21      ARG  39  -1.042   6.391 -13.494
  311   HH22  ARG  39          HH22      ARG  39  -0.534   4.930 -14.298
  312    H    VAL  40           H        VAL  40  -0.473   7.092  -5.578
  313    HA   VAL  40           HA       VAL  40  -0.761   4.788  -4.019
  314    HB   VAL  40           HB       VAL  40   0.373   6.952  -3.436
  315   HG11  VAL  40          HG11      VAL  40  -0.995   8.744  -2.442
  316   HG12  VAL  40          HG12      VAL  40  -1.443   8.474  -4.142
  317   HG13  VAL  40          HG13      VAL  40  -2.478   7.852  -2.825
  318   HG21  VAL  40          HG21      VAL  40  -0.009   5.256  -1.737
  319   HG22  VAL  40          HG22      VAL  40  -0.138   6.894  -1.057
  320   HG23  VAL  40          HG23      VAL  40  -1.613   5.959  -1.374
  321    H    GLY  41           H        GLY  41  -3.205   6.793  -5.440
  322    HA2  GLY  41           HA2      GLY  41  -5.457   6.432  -5.664
  323    HA3  GLY  41           HA3      GLY  41  -5.309   4.980  -4.666
  324    H    ASP  42           H        ASP  42  -4.615   5.650  -2.267
  325    HA   ASP  42           HA       ASP  42  -5.746   8.113  -1.231
  326    HB2  ASP  42           HB2      ASP  42  -7.794   6.709  -1.603
  327    HB3  ASP  42           HB3      ASP  42  -7.091   5.452  -0.583
  328    H    VAL  43           H        VAL  43  -5.460   8.122   1.206
  329    HA   VAL  43           HA       VAL  43  -3.700   6.039   2.284
  330    HB   VAL  43           HB       VAL  43  -2.054   7.371   1.189
  331   HG11  VAL  43          HG11      VAL  43  -3.376   9.822   2.411
  332   HG12  VAL  43          HG12      VAL  43  -1.801   9.804   1.582
  333   HG13  VAL  43          HG13      VAL  43  -3.279   9.390   0.693
  334   HG21  VAL  43          HG21      VAL  43  -0.715   8.236   3.053
  335   HG22  VAL  43          HG22      VAL  43  -2.140   8.217   4.110
  336   HG23  VAL  43          HG23      VAL  43  -1.478   6.691   3.476
  337    H    TYR  44           H        TYR  44  -4.023   5.776   4.432
  338    HA   TYR  44           HA       TYR  44  -5.282   7.967   5.982
  339    HB2  TYR  44           HB2      TYR  44  -7.065   6.580   4.847
  340    HB3  TYR  44           HB3      TYR  44  -6.595   5.271   5.946
  341    HD1  TYR  44           HD2      TYR  44  -7.253   8.980   6.050
  342    HD2  TYR  44           HD1      TYR  44  -7.801   5.154   7.947
  343    HE1  TYR  44           HE2      TYR  44  -8.552  10.065   7.843
  344    HE2  TYR  44           HE1      TYR  44  -9.118   6.240   9.754
  345    HH   TYR  44           HH       TYR  44  -9.889   8.245  10.617
  346    H    ILE  45           H        ILE  45  -5.223   7.647   8.239
  347    HA   ILE  45           HA       ILE  45  -3.726   5.373   9.367
  348    HB   ILE  45           HB       ILE  45  -2.899   8.285   9.685
  349   HG12  ILE  45          HG12      ILE  45  -1.361   5.789   8.847
  350   HG13  ILE  45          HG13      ILE  45  -1.935   7.042   7.737
  351   HG21  ILE  45          HG21      ILE  45  -2.968   7.172  11.899
  352   HG22  ILE  45          HG22      ILE  45  -2.014   5.821  11.249
  353   HG23  ILE  45          HG23      ILE  45  -1.302   7.448  11.395
  354   HD11  ILE  45          HD11      ILE  45  -0.529   8.710   9.014
  355   HD12  ILE  45          HD12      ILE  45   0.158   7.343   9.926
  356   HD13  ILE  45          HD13      ILE  45   0.396   7.441   8.173
  357    HA   PRO  46           HA       PRO  46  -7.623   6.401  11.430
  358    HB2  PRO  46           HB2      PRO  46  -7.152   3.695  12.636
  359    HB3  PRO  46           HB3      PRO  46  -8.627   4.326  11.842
  360    HG2  PRO  46           HG2      PRO  46  -7.000   2.538  10.566
  361    HG3  PRO  46           HG3      PRO  46  -7.729   3.914   9.678
  362    HD2  PRO  46           HD2      PRO  46  -4.929   3.708  10.774
  363    HD3  PRO  46           HD3      PRO  46  -5.501   4.318   9.185
  364    H    ARG  47           H        ARG  47  -4.668   5.378  12.783
  365    HA   ARG  47           HA       ARG  47  -4.083   4.899  15.052
  366    HB2  ARG  47           HB2      ARG  47  -3.433   7.143  16.031
  367    HB3  ARG  47           HB3      ARG  47  -2.793   6.720  14.443
  368    HG2  ARG  47           HG2      ARG  47  -4.537   8.133  13.357
  369    HG3  ARG  47           HG3      ARG  47  -5.074   8.670  14.962
  370    HD2  ARG  47           HD2      ARG  47  -2.868   9.593  15.437
  371    HD3  ARG  47           HD3      ARG  47  -2.227   8.917  13.925
  372    HE   ARG  47           HE       ARG  47  -4.371  10.532  13.175
  373   HH11  ARG  47          HH11      ARG  47  -1.315  10.997  14.894
  374   HH12  ARG  47          HH12      ARG  47  -1.116  12.640  14.325
  375   HH21  ARG  47          HH21      ARG  47  -4.082  12.684  12.459
  376   HH22  ARG  47          HH22      ARG  47  -2.681  13.593  12.977
  377    H    ASP  48           H        ASP  48  -5.676   7.805  16.187
  378    HA   ASP  48           HA       ASP  48  -8.081   6.388  17.037
  379    HB2  ASP  48           HB2      ASP  48  -6.601   5.791  18.862
  380    HB3  ASP  48           HB3      ASP  48  -6.059   7.474  19.037
  381    H    ARG  49           H        ARG  49  -9.753   7.783  16.979
  382    HA   ARG  49           HA       ARG  49  -9.201  10.370  15.865
  383    HB2  ARG  49           HB2      ARG  49 -11.542  10.461  15.410
  384    HB3  ARG  49           HB3      ARG  49 -11.018   8.793  15.143
  385    HG2  ARG  49           HG2      ARG  49 -11.857   8.207  17.440
  386    HG3  ARG  49           HG3      ARG  49 -12.426   9.869  17.640
  387    HD2  ARG  49           HD2      ARG  49 -13.364   7.936  15.494
  388    HD3  ARG  49           HD3      ARG  49 -14.251   8.381  16.955
  389    HE   ARG  49           HE       ARG  49 -13.565  10.262  14.721
  390   HH11  ARG  49          HH11      ARG  49 -15.659   9.357  17.420
  391   HH12  ARG  49          HH12      ARG  49 -16.800  10.648  17.105
  392   HH21  ARG  49          HH21      ARG  49 -15.005  11.904  14.359
  393   HH22  ARG  49          HH22      ARG  49 -16.432  12.106  15.354
  394    H    TYR  50           H        TYR  50  -8.809   9.744  18.992
  395    HA   TYR  50           HA       TYR  50 -10.066  12.322  19.834
  396    HB2  TYR  50           HB2      TYR  50  -9.907   9.864  21.599
  397    HB3  TYR  50           HB3      TYR  50 -10.705  11.383  21.944
  398    HD1  TYR  50           HD1      TYR  50 -12.854  11.941  20.652
  399    HD2  TYR  50           HD2      TYR  50 -10.944   8.099  20.507
  400    HE1  TYR  50           HE1      TYR  50 -14.988  10.919  19.925
  401    HE2  TYR  50           HE2      TYR  50 -13.064   7.055  19.782
  402    HH   TYR  50           HH       TYR  50 -16.083   8.965  19.402
  403    H    THR  51           H        THR  51  -7.324  10.212  19.804
  404    HA   THR  51           HA       THR  51  -5.919  11.952  21.779
  405    HB   THR  51           HB       THR  51  -4.895   9.963  22.760
  406   HG21  THR  51          HG21      THR  51  -7.143  10.705  23.635
  407   HG22  THR  51          HG22      THR  51  -7.908   9.507  22.562
  408   HG23  THR  51          HG23      THR  51  -6.826   8.967  23.851
  409    H    LYS  52           H        LYS  52  -5.979  10.409  18.723
  410    HA   LYS  52           HA       LYS  52  -4.490  10.035  17.108
  411    HB2  LYS  52           HB2      LYS  52  -3.867  12.888  17.939
  412    HB3  LYS  52           HB3      LYS  52  -3.462  12.186  16.363
  413    HG2  LYS  52           HG2      LYS  52  -5.853  11.714  15.942
  414    HG3  LYS  52           HG3      LYS  52  -6.274  12.451  17.507
  415    HD2  LYS  52           HD2      LYS  52  -5.310  14.604  16.761
  416    HD3  LYS  52           HD3      LYS  52  -4.858  13.872  15.213
  417    HE2  LYS  52           HE2      LYS  52  -6.917  15.113  14.918
  418    HE3  LYS  52           HE3      LYS  52  -7.248  13.380  14.757
  419    HZ1  LYS  52           HZ1      LYS  52  -8.884  14.509  16.124
  420    HZ2  LYS  52           HZ2      LYS  52  -8.065  13.408  17.023
  421    HZ3  LYS  52           HZ3      LYS  52  -7.733  15.014  17.173
  422    H    GLU  53           H        GLU  53  -3.336   8.732  19.260
  423    HA   GLU  53           HA       GLU  53  -0.451   9.390  18.956
  424    HB2  GLU  53           HB2      GLU  53  -0.086   8.890  21.316
  425    HB3  GLU  53           HB3      GLU  53  -1.202  10.244  21.107
  426    HG2  GLU  53           HG2      GLU  53  -3.127   8.771  21.527
  427    HG3  GLU  53           HG3      GLU  53  -2.055   7.370  21.667
  428    H    SER  54           H        SER  54  -2.145   7.438  17.551
  429    HA   SER  54           HA       SER  54  -0.755   4.936  18.384
  430    HB2  SER  54           HB2      SER  54  -3.634   5.211  17.434
  431    HB3  SER  54           HB3      SER  54  -2.801   3.687  17.799
  432    HG   SER  54           HG       SER  54  -4.026   4.426  19.574
  433    H    ARG  55           H        ARG  55   0.103   6.882  16.451
  434    HA   ARG  55           HA       ARG  55  -0.532   6.144  13.767
  435    HB2  ARG  55           HB2      ARG  55   0.597   8.288  14.768
  436    HB3  ARG  55           HB3      ARG  55   2.088   7.338  14.703
  437    HG2  ARG  55           HG2      ARG  55   1.304   6.901  12.186
  438    HG3  ARG  55           HG3      ARG  55   0.356   8.373  12.462
  439    HD2  ARG  55           HD2      ARG  55   3.359   8.089  12.879
  440    HD3  ARG  55           HD3      ARG  55   2.597   8.814  11.454
  441    HE   ARG  55           HE       ARG  55   1.619  10.155  13.761
  442   HH11  ARG  55          HH11      ARG  55   4.631   9.740  11.950
  443   HH12  ARG  55          HH12      ARG  55   5.246  11.316  12.381
  444   HH21  ARG  55          HH21      ARG  55   2.452  12.207  14.314
  445   HH22  ARG  55          HH22      ARG  55   4.021  12.703  13.725
  446    H    GLY  56           H        GLY  56   0.475   3.964  15.800
  447    HA2  GLY  56           HA2      GLY  56   2.991   3.006  14.839
  448    HA3  GLY  56           HA3      GLY  56   1.807   2.108  15.798
  449    H    PHE  57           H        PHE  57   0.107   3.151  13.117
  450    HA   PHE  57           HA       PHE  57   1.086   1.191  11.181
  451    HB2  PHE  57           HB2      PHE  57  -0.832  -0.189  11.151
  452    HB3  PHE  57           HB3      PHE  57  -0.315  -0.122  12.839
  453    HD1  PHE  57           HD1      PHE  57  -1.556   1.496  14.409
  454    HD2  PHE  57           HD2      PHE  57  -2.975   0.474  10.481
  455    HE1  PHE  57           HE1      PHE  57  -3.807   2.329  15.005
  456    HE2  PHE  57           HE2      PHE  57  -5.217   1.309  11.064
  457    HZ   PHE  57           HZ       PHE  57  -5.657   2.229  13.338
  458    H    ALA  58           H        ALA  58  -0.663   1.127   9.308
  459    HA   ALA  58           HA       ALA  58  -2.126   3.660   9.043
  460    HB1  ALA  58           HB1      ALA  58  -0.010   2.861   7.005
  461    HB2  ALA  58           HB2      ALA  58  -1.011   4.322   6.994
  462    HB3  ALA  58           HB3      ALA  58   0.230   4.117   8.250
  463    H    PHE  59           H        PHE  59  -2.860   3.678   6.566
  464    HA   PHE  59           HA       PHE  59  -3.776   1.061   5.581
  465    HB2  PHE  59           HB2      PHE  59  -5.364   2.039   7.380
  466    HB3  PHE  59           HB3      PHE  59  -5.749   3.282   6.203
  467    HD1  PHE  59           HD1      PHE  59  -5.653   1.366   3.691
  468    HD2  PHE  59           HD2      PHE  59  -7.475   1.077   7.583
  469    HE1  PHE  59           HE1      PHE  59  -7.385  -0.129   2.771
  470    HE2  PHE  59           HE2      PHE  59  -9.186  -0.448   6.660
  471    HZ   PHE  59           HZ       PHE  59  -9.142  -1.058   4.251
  472    H    VAL  60           H        VAL  60  -1.878   2.300   4.254
  473    HA   VAL  60           HA       VAL  60  -2.866   4.348   2.445
  474    HB   VAL  60           HB       VAL  60  -0.736   2.332   1.697
  475   HG11  VAL  60          HG11      VAL  60   0.213   4.240   0.512
  476   HG12  VAL  60          HG12      VAL  60  -1.451   3.928  -0.007
  477   HG13  VAL  60          HG13      VAL  60  -1.106   5.282   1.104
  478   HG21  VAL  60          HG21      VAL  60  -0.295   4.805   3.413
  479   HG22  VAL  60          HG22      VAL  60  -0.216   3.127   4.009
  480   HG23  VAL  60          HG23      VAL  60   0.940   3.669   2.789
  481    H    ARG  61           H        ARG  61  -3.840   3.953   0.257
  482    HA   ARG  61           HA       ARG  61  -4.659   1.138  -0.195
  483    HB2  ARG  61           HB2      ARG  61  -6.376   1.907   1.261
  484    HB3  ARG  61           HB3      ARG  61  -6.523   3.451   0.398
  485    HG2  ARG  61           HG2      ARG  61  -7.440   2.346  -1.563
  486    HG3  ARG  61           HG3      ARG  61  -7.136   0.746  -0.857
  487    HD2  ARG  61           HD2      ARG  61  -9.529   1.544  -0.685
  488    HD3  ARG  61           HD3      ARG  61  -8.770   1.101   0.855
  489    HE   ARG  61           HE       ARG  61  -8.447   3.914   0.323
  490   HH11  ARG  61          HH11      ARG  61 -10.870   1.537   1.274
  491   HH12  ARG  61          HH12      ARG  61 -11.686   2.624   2.376
  492   HH21  ARG  61          HH21      ARG  61  -9.541   5.330   1.746
  493   HH22  ARG  61          HH22      ARG  61 -10.898   4.743   2.692
  494    H    PHE  62           H        PHE  62  -3.833   0.850  -2.176
  495    HA   PHE  62           HA       PHE  62  -4.021   2.879  -4.265
  496    HB2  PHE  62           HB2      PHE  62  -3.401  -0.101  -4.394
  497    HB3  PHE  62           HB3      PHE  62  -3.356   0.987  -5.766
  498    HD1  PHE  62           HD2      PHE  62  -1.906   0.509  -2.343
  499    HD2  PHE  62           HD1      PHE  62  -1.360   2.190  -6.276
  500    HE1  PHE  62           HE2      PHE  62   0.420   1.102  -1.767
  501    HE2  PHE  62           HE1      PHE  62   0.970   2.738  -5.713
  502    HZ   PHE  62           HZ       PHE  62   1.878   2.187  -3.483
  503    H    HIS  63           H        HIS  63  -5.205   2.266  -6.395
  504    HA   HIS  63           HA       HIS  63  -7.757   0.912  -5.773
  505    HB2  HIS  63           HB2      HIS  63  -9.107   2.701  -6.261
  506    HB3  HIS  63           HB3      HIS  63  -7.805   3.438  -5.304
  507    HD2  HIS  63           HD2      HIS  63  -5.689   4.444  -7.136
  508    HE1  HIS  63           HE1      HIS  63  -8.639   5.731  -9.922
  509    HE2  HIS  63           HE2      HIS  63  -6.193   5.961  -9.216
  510    H    ASP  64           H        ASP  64  -5.241   0.799  -7.686
  511    HA   ASP  64           HA       ASP  64  -6.899  -0.265  -9.909
  512    HB2  ASP  64           HB2      ASP  64  -6.000   1.937 -10.592
  513    HB3  ASP  64           HB3      ASP  64  -4.355   1.339 -10.295
  514    H    LYS  65           H        LYS  65  -6.234  -2.196 -10.731
  515    HA   LYS  65           HA       LYS  65  -4.881  -3.837  -8.844
  516    HB2  LYS  65           HB2      LYS  65  -5.637  -4.372 -11.741
  517    HB3  LYS  65           HB3      LYS  65  -5.155  -5.601 -10.551
  518    HG2  LYS  65           HG2      LYS  65  -7.080  -4.915  -9.107
  519    HG3  LYS  65           HG3      LYS  65  -7.593  -3.777 -10.368
  520    HD2  LYS  65           HD2      LYS  65  -7.344  -6.798 -10.690
  521    HD3  LYS  65           HD3      LYS  65  -8.851  -5.895 -10.482
  522    HE2  LYS  65           HE2      LYS  65  -8.369  -4.649 -12.589
  523    HE3  LYS  65           HE3      LYS  65  -6.894  -5.608 -12.801
  524    HZ1  LYS  65           HZ1      LYS  65  -8.257  -7.575 -12.896
  525    HZ2  LYS  65           HZ2      LYS  65  -9.631  -6.689 -12.704
  526    HZ3  LYS  65           HZ3      LYS  65  -8.720  -6.507 -14.060
  527    H    ARG  66           H        ARG  66  -3.675  -2.233 -11.831
  528    HA   ARG  66           HA       ARG  66  -1.489  -4.066 -12.102
  529    HB2  ARG  66           HB2      ARG  66  -0.766  -2.691 -13.873
  530    HB3  ARG  66           HB3      ARG  66  -2.521  -2.490 -13.853
  531    HG2  ARG  66           HG2      ARG  66  -2.034  -0.384 -12.363
  532    HG3  ARG  66           HG3      ARG  66  -0.360  -0.582 -12.921
  533    HD2  ARG  66           HD2      ARG  66  -1.313   0.931 -14.462
  534    HD3  ARG  66           HD3      ARG  66  -1.377  -0.629 -15.314
  535    HE   ARG  66           HE       ARG  66  -3.760  -0.115 -13.750
  536   HH11  ARG  66          HH11      ARG  66  -2.218   0.579 -16.848
  537   HH12  ARG  66          HH12      ARG  66  -3.727   0.979 -17.643
  538   HH21  ARG  66          HH21      ARG  66  -5.673   0.495 -14.753
  539   HH22  ARG  66          HH22      ARG  66  -5.697   0.903 -16.455
  540    H    ASP  67           H        ASP  67  -1.840  -0.934 -10.448
  541    HA   ASP  67           HA       ASP  67   1.011  -1.023  -9.636
  542    HB2  ASP  67           HB2      ASP  67   0.377   1.175  -8.505
  543    HB3  ASP  67           HB3      ASP  67   0.380   1.124 -10.275
  544    H    ALA  68           H        ALA  68  -2.116  -1.976  -8.438
  545    HA   ALA  68           HA       ALA  68  -1.303  -1.991  -5.660
  546    HB1  ALA  68           HB1      ALA  68  -3.349  -3.406  -5.385
  547    HB2  ALA  68           HB2      ALA  68  -3.676  -1.906  -6.284
  548    HB3  ALA  68           HB3      ALA  68  -3.526  -3.461  -7.145
  549    H    GLU  69           H        GLU  69  -1.265  -4.347  -8.380
  550    HA   GLU  69           HA       GLU  69  -0.378  -6.533  -6.702
  551    HB2  GLU  69           HB2      GLU  69  -0.280  -6.093  -9.712
  552    HB3  GLU  69           HB3      GLU  69   0.266  -7.571  -8.895
  553    HG2  GLU  69           HG2      GLU  69  -1.987  -7.867  -7.903
  554    HG3  GLU  69           HG3      GLU  69  -2.551  -6.437  -8.779
  555    H    ASP  70           H        ASP  70   1.292  -3.975  -8.602
  556    HA   ASP  70           HA       ASP  70   3.914  -5.141  -8.186
  557    HB2  ASP  70           HB2      ASP  70   2.915  -2.341  -8.843
  558    HB3  ASP  70           HB3      ASP  70   4.618  -2.718  -8.603
  559    H    ALA  71           H        ALA  71   1.907  -2.761  -6.384
  560    HA   ALA  71           HA       ALA  71   3.980  -1.849  -4.697
  561    HB1  ALA  71           HB1      ALA  71   2.120  -1.090  -3.226
  562    HB2  ALA  71           HB2      ALA  71   1.863  -0.662  -4.925
  563    HB3  ALA  71           HB3      ALA  71   0.981  -2.037  -4.221
  564    H    MET  72           H        MET  72   1.781  -4.699  -4.383
  565    HA   MET  72           HA       MET  72   2.848  -5.210  -1.695
  566    HB2  MET  72           HB2      MET  72   1.425  -7.149  -1.667
  567    HB3  MET  72           HB3      MET  72   0.504  -5.794  -2.359
  568    HG2  MET  72           HG2      MET  72   1.100  -6.602  -4.623
  569    HG3  MET  72           HG3      MET  72   1.896  -8.011  -3.897
  570    HE1  MET  72           HE1      MET  72   0.623  -9.773  -5.239
  571    HE2  MET  72           HE2      MET  72  -1.121  -9.683  -5.569
  572    HE3  MET  72           HE3      MET  72  -0.029  -8.392  -6.147
  573    H    ASP  73           H        ASP  73   3.520  -6.240  -5.020
  574    HA   ASP  73           HA       ASP  73   5.136  -8.510  -4.323
  575    HB2  ASP  73           HB2      ASP  73   4.087  -8.149  -6.534
  576    HB3  ASP  73           HB3      ASP  73   5.121  -6.738  -6.795
  577    H    ALA  74           H        ALA  74   5.666  -5.159  -3.873
  578    HA   ALA  74           HA       ALA  74   8.608  -5.655  -3.643
  579    HB1  ALA  74           HB1      ALA  74   8.168  -4.431  -5.686
  580    HB2  ALA  74           HB2      ALA  74   7.118  -3.298  -4.787
  581    HB3  ALA  74           HB3      ALA  74   8.886  -3.317  -4.493
  582    H    MET  75           H        MET  75   5.770  -4.628  -2.023
  583    HA   MET  75           HA       MET  75   7.514  -3.415   0.100
  584    HB2  MET  75           HB2      MET  75   4.645  -2.793  -0.639
  585    HB3  MET  75           HB3      MET  75   5.403  -2.253   0.853
  586    HG2  MET  75           HG2      MET  75   6.788  -1.580  -1.729
  587    HG3  MET  75           HG3      MET  75   5.305  -0.721  -1.307
  588    HE1  MET  75           HE1      MET  75   5.819   1.536  -0.988
  589    HE2  MET  75           HE2      MET  75   7.207   2.229  -0.123
  590    HE3  MET  75           HE3      MET  75   7.458   1.334  -1.637
  591    H    ASP  76           H        ASP  76   4.950  -5.867  -0.576
  592    HA   ASP  76           HA       ASP  76   4.338  -6.206   2.185
  593    HB2  ASP  76           HB2      ASP  76   2.942  -7.085   0.282
  594    HB3  ASP  76           HB3      ASP  76   4.201  -8.292  -0.032
  595    H    GLY  77           H        GLY  77   5.564  -7.042   3.775
  596    HA2  GLY  77           HA2      GLY  77   7.019  -8.493   4.839
  597    HA3  GLY  77           HA3      GLY  77   7.417  -9.243   3.274
  598    H    ALA  78           H        ALA  78   7.697  -5.930   2.853
  599    HA   ALA  78           HA       ALA  78  10.568  -6.006   2.743
  600    HB1  ALA  78           HB1      ALA  78   8.623  -3.669   2.588
  601    HB2  ALA  78           HB2      ALA  78  10.331  -3.647   2.092
  602    HB3  ALA  78           HB3      ALA  78   9.173  -4.660   1.217
  603    H    VAL  79           H        VAL  79  11.513  -3.674   3.713
  604    HA   VAL  79           HA       VAL  79  10.968  -3.687   6.646
  605    HB   VAL  79           HB       VAL  79  13.684  -3.878   5.281
  606   HG11  VAL  79          HG11      VAL  79  12.937  -3.663   8.222
  607   HG12  VAL  79          HG12      VAL  79  14.554  -4.073   7.598
  608   HG13  VAL  79          HG13      VAL  79  13.858  -2.482   7.261
  609   HG21  VAL  79          HG21      VAL  79  12.132  -5.843   7.021
  610   HG22  VAL  79          HG22      VAL  79  12.546  -6.051   5.307
  611   HG23  VAL  79          HG23      VAL  79  13.833  -6.036   6.520
  612    H    LEU  80           H        LEU  80  11.367  -1.723   7.672
  613    HA   LEU  80           HA       LEU  80  11.719   0.609   5.834
  614    HB2  LEU  80           HB2      LEU  80   9.541   0.242   7.077
  615    HB3  LEU  80           HB3      LEU  80  10.417   0.464   8.587
  616    HG   LEU  80           HG       LEU  80   9.172   2.441   7.905
  617   HD11  LEU  80          HD11      LEU  80  12.122   3.098   7.620
  618   HD12  LEU  80          HD12      LEU  80  10.824   4.133   8.219
  619   HD13  LEU  80          HD13      LEU  80  11.325   2.721   9.176
  620   HD21  LEU  80          HD21      LEU  80   9.330   2.102   5.446
  621   HD22  LEU  80          HD22      LEU  80   9.763   3.750   5.941
  622   HD23  LEU  80          HD23      LEU  80  11.047   2.600   5.508
  623    H    ASP  81           H        ASP  81  12.382  -0.484   9.209
  624    HA   ASP  81           HA       ASP  81  15.037   0.839   9.037
  625    HB2  ASP  81           HB2      ASP  81  13.414   2.415  10.062
  626    HB3  ASP  81           HB3      ASP  81  13.051   1.219  11.308
  627    H    GLY  82           H        GLY  82  13.253  -1.928   9.762
  628    HA2  GLY  82           HA2      GLY  82  15.224  -3.639  10.272
  629    HA3  GLY  82           HA3      GLY  82  15.050  -2.892  11.882
  630    H    ARG  83           H        ARG  83  12.012  -2.586  10.971
  631    HA   ARG  83           HA       ARG  83  11.150  -5.198  12.077
  632    HB2  ARG  83           HB2      ARG  83   8.994  -4.132  12.306
  633    HB3  ARG  83           HB3      ARG  83  10.238  -3.125  13.043
  634    HG2  ARG  83           HG2      ARG  83  10.172  -1.533  11.286
  635    HG3  ARG  83           HG3      ARG  83   9.316  -2.633  10.187
  636    HD2  ARG  83           HD2      ARG  83   7.800  -0.903  11.147
  637    HD3  ARG  83           HD3      ARG  83   7.327  -2.572  11.516
  638    HE   ARG  83           HE       ARG  83   8.956  -1.209  13.562
  639   HH11  ARG  83          HH11      ARG  83   5.741  -2.103  12.426
  640   HH12  ARG  83          HH12      ARG  83   5.019  -2.036  14.014
  641   HH21  ARG  83          HH21      ARG  83   7.985  -1.094  15.646
  642   HH22  ARG  83          HH22      ARG  83   6.275  -1.407  15.813
  643    H    GLU  84           H        GLU  84   8.592  -5.104  10.873
  644    HA   GLU  84           HA       GLU  84   9.259  -5.939   8.069
  645    HB2  GLU  84           HB2      GLU  84   7.269  -7.031  10.099
  646    HB3  GLU  84           HB3      GLU  84   7.168  -7.371   8.366
  647    HG2  GLU  84           HG2      GLU  84   9.530  -8.246   8.465
  648    HG3  GLU  84           HG3      GLU  84   9.497  -8.002  10.225
  649    H    LEU  85           H        LEU  85   7.367  -5.810   6.593
  650    HA   LEU  85           HA       LEU  85   5.493  -3.592   7.239
  651    HB2  LEU  85           HB2      LEU  85   7.196  -3.917   4.729
  652    HB3  LEU  85           HB3      LEU  85   5.876  -2.749   4.906
  653    HG   LEU  85           HG       LEU  85   8.426  -2.832   6.582
  654   HD11  LEU  85          HD11      LEU  85   8.781  -2.150   4.228
  655   HD12  LEU  85          HD12      LEU  85   7.490  -0.939   4.381
  656   HD13  LEU  85          HD13      LEU  85   8.986  -0.778   5.335
  657   HD21  LEU  85          HD21      LEU  85   6.520  -1.904   7.859
  658   HD22  LEU  85          HD22      LEU  85   7.662  -0.636   7.419
  659   HD23  LEU  85          HD23      LEU  85   6.139  -0.811   6.507
  660    H    ARG  86           H        ARG  86   3.620  -3.617   5.697
  661    HA   ARG  86           HA       ARG  86   3.037  -6.326   4.619
  662    HB2  ARG  86           HB2      ARG  86   1.581  -4.862   6.864
  663    HB3  ARG  86           HB3      ARG  86   0.800  -6.129   5.925
  664    HG2  ARG  86           HG2      ARG  86   3.322  -6.414   7.617
  665    HG3  ARG  86           HG3      ARG  86   1.696  -6.969   8.038
  666    HD2  ARG  86           HD2      ARG  86   1.717  -8.450   6.021
  667    HD3  ARG  86           HD3      ARG  86   3.400  -7.983   5.717
  668    HE   ARG  86           HE       ARG  86   2.337  -9.590   7.951
  669   HH11  ARG  86          HH11      ARG  86   5.162  -8.093   6.407
  670   HH12  ARG  86          HH12      ARG  86   6.301  -9.098   7.286
  671   HH21  ARG  86          HH21      ARG  86   3.915 -10.892   9.064
  672   HH22  ARG  86          HH22      ARG  86   5.620 -10.616   8.753
  673    H    VAL  87           H        VAL  87   1.666  -6.338   2.956
  674    HA   VAL  87           HA       VAL  87   0.024  -3.976   2.316
  675    HB   VAL  87           HB       VAL  87   2.148  -5.053   0.409
  676   HG11  VAL  87          HG11      VAL  87   0.077  -2.833   0.150
  677   HG12  VAL  87          HG12      VAL  87   1.355  -3.201  -1.035
  678   HG13  VAL  87          HG13      VAL  87   0.068  -4.383  -0.705
  679   HG21  VAL  87          HG21      VAL  87   3.283  -3.668   1.998
  680   HG22  VAL  87          HG22      VAL  87   2.993  -2.665   0.552
  681   HG23  VAL  87          HG23      VAL  87   1.966  -2.474   1.989
  682    H    GLN  88           H        GLN  88  -1.935  -4.827   1.775
  683    HA   GLN  88           HA       GLN  88  -2.145  -7.006  -0.117
  684    HB2  GLN  88           HB2      GLN  88  -3.381  -8.530   1.332
  685    HB3  GLN  88           HB3      GLN  88  -1.741  -8.317   1.940
  686    HG2  GLN  88           HG2      GLN  88  -4.156  -6.795   3.013
  687    HG3  GLN  88           HG3      GLN  88  -3.578  -8.309   3.697
  688   HE21  GLN  88          HE22      GLN  88  -3.617  -5.232   4.481
  689   HE22  GLN  88          HE21      GLN  88  -2.028  -5.033   5.200
  690    H    MET  89           H        MET  89  -4.543  -7.545  -0.486
  691    HA   MET  89           HA       MET  89  -5.930  -5.122  -0.982
  692    HB2  MET  89           HB2      MET  89  -6.796  -8.033  -1.016
  693    HB3  MET  89           HB3      MET  89  -7.847  -6.686  -1.503
  694    HG2  MET  89           HG2      MET  89  -6.804  -7.577  -3.480
  695    HG3  MET  89           HG3      MET  89  -6.153  -5.970  -3.161
  696    HE1  MET  89           HE1      MET  89  -4.142  -5.972  -4.590
  697    HE2  MET  89           HE2      MET  89  -2.991  -7.311  -4.769
  698    HE3  MET  89           HE3      MET  89  -4.672  -7.511  -5.311
  699    H    ALA  90           H        ALA  90  -7.876  -4.291  -0.102
  700    HA   ALA  90           HA       ALA  90  -7.836  -4.327   2.793
  701    HB1  ALA  90           HB1      ALA  90  -9.721  -2.922   0.867
  702    HB2  ALA  90           HB2      ALA  90  -9.497  -2.546   2.589
  703    HB3  ALA  90           HB3      ALA  90  -8.160  -2.277   1.449
  704    H    ARG  91           H        ARG  91 -10.120  -4.180   3.886
  705    HA   ARG  91           HA       ARG  91 -11.900  -6.401   2.987
  706    HB2  ARG  91           HB2      ARG  91 -10.797  -5.900   5.779
  707    HB3  ARG  91           HB3      ARG  91 -12.039  -7.103   5.366
  708    HG2  ARG  91           HG2      ARG  91 -10.452  -8.351   4.001
  709    HG3  ARG  91           HG3      ARG  91  -9.219  -7.092   4.232
  710    HD2  ARG  91           HD2      ARG  91  -8.813  -8.997   5.750
  711    HD3  ARG  91           HD3      ARG  91  -9.168  -7.509   6.635
  712    HE   ARG  91           HE       ARG  91 -11.149  -8.412   7.426
  713   HH11  ARG  91          HH11      ARG  91  -9.833 -10.549   4.928
  714   HH12  ARG  91          HH12      ARG  91 -10.950 -11.838   5.292
  715   HH21  ARG  91          HH21      ARG  91 -12.577 -10.107   7.877
  716   HH22  ARG  91          HH22      ARG  91 -12.505 -11.589   6.952
  717    H    TYR  92           H        TYR  92 -13.910  -6.419   4.334
  718    HA   TYR  92           HA       TYR  92 -15.881  -5.461   4.880
  719    HB2  TYR  92           HB2      TYR  92 -14.140  -3.537   6.442
  720    HB3  TYR  92           HB3      TYR  92 -15.801  -4.010   6.806
  721    HD1  TYR  92           HD2      TYR  92 -16.076  -6.747   6.893
  722    HD2  TYR  92           HD1      TYR  92 -12.505  -4.501   7.755
  723    HE1  TYR  92           HE2      TYR  92 -15.210  -8.641   8.245
  724    HE2  TYR  92           HE1      TYR  92 -11.640  -6.384   9.106
  725    HH   TYR  92           HH       TYR  92 -12.033  -8.500   9.905
  726    H    GLY  93           H        GLY  93 -16.724  -2.889   5.502
  727    HA2  GLY  93           HA2      GLY  93 -16.286  -1.380   2.962
  728    HA3  GLY  93           HA3      GLY  93 -17.912  -1.691   3.615
  729    H    ARG  94           H        ARG  94 -15.615  -1.285   6.013
  730    HA   ARG  94           HA       ARG  94 -14.529   0.647   6.873
  731    HB2  ARG  94           HB2      ARG  94 -17.118   2.041   6.170
  732    HB3  ARG  94           HB3      ARG  94 -15.926   2.722   7.279
  733    HG2  ARG  94           HG2      ARG  94 -14.160   2.624   5.597
  734    HG3  ARG  94           HG3      ARG  94 -15.254   1.843   4.442
  735    HD2  ARG  94           HD2      ARG  94 -15.093   4.198   3.906
  736    HD3  ARG  94           HD3      ARG  94 -16.722   3.874   4.531
  737    HE   ARG  94           HE       ARG  94 -14.912   4.679   6.629
  738   HH11  ARG  94          HH11      ARG  94 -16.876   5.962   3.993
  739   HH12  ARG  94          HH12      ARG  94 -17.027   7.543   4.731
  740   HH21  ARG  94          HH21      ARG  94 -15.093   6.705   7.538
  741   HH22  ARG  94          HH22      ARG  94 -16.022   7.970   6.759
  742    HA   PRO  95           HA       PRO  95 -15.349  -0.640  10.847
  743    HB2  PRO  95           HB2      PRO  95 -15.551   2.258  11.659
  744    HB3  PRO  95           HB3      PRO  95 -14.663   0.915  12.459
  745    HG2  PRO  95           HG2      PRO  95 -13.360   2.665  10.847
  746    HG3  PRO  95           HG3      PRO  95 -12.989   0.917  10.758
  747    HD2  PRO  95           HD2      PRO  95 -14.573   2.547   8.839
  748    HD3  PRO  95           HD3      PRO  95 -13.533   1.128   8.564
  749    HA   PRO  96           HA       PRO  96 -19.869  -0.197  11.098
  750    HB2  PRO  96           HB2      PRO  96 -20.441  -2.724  11.850
  751    HB3  PRO  96           HB3      PRO  96 -19.852  -2.367  10.188
  752    HG2  PRO  96           HG2      PRO  96 -18.233  -3.334  12.567
  753    HG3  PRO  96           HG3      PRO  96 -18.257  -4.014  10.911
  754    HD2  PRO  96           HD2      PRO  96 -16.378  -2.198  11.778
  755    HD3  PRO  96           HD3      PRO  96 -16.940  -2.253  10.084
  756    H    ASP  97           H        ASP  97 -17.455  -0.671  13.486
  757    HA   ASP  97           HA       ASP  97 -19.381  -0.203  15.687
  758    HB2  ASP  97           HB2      ASP  97 -17.421  -2.522  15.533
  759    HB3  ASP  97           HB3      ASP  97 -18.197  -1.988  17.032
  760    H    SER  98           H        SER  98 -17.691   1.715  14.556
  761    HA   SER  98           HA       SER  98 -15.907   2.225  16.885
  762    HB2  SER  98           HB2      SER  98 -15.161   2.602  13.954
  763    HB3  SER  98           HB3      SER  98 -14.228   3.210  15.328
  764    HG   SER  98           HG       SER  98 -14.885   0.484  14.853
  765    H    HIS  99           H        HIS  99 -15.088   4.584  16.647
  766    HA   HIS  99           HA       HIS  99 -15.682   6.708  17.069
  767    HB2  HIS  99           HB2      HIS  99 -16.230   7.983  15.095
  768    HB3  HIS  99           HB3      HIS  99 -15.063   6.712  14.724
  769    HD2  HIS  99           HD2      HIS  99 -15.776   4.799  13.029
  770    HE1  HIS  99           HE1      HIS  99 -19.597   6.342  11.982
  771    HE2  HIS  99           HE2      HIS  99 -17.819   4.604  11.403
  772    H    HIS 100           H        HIS 100 -17.709   4.817  18.029
  773    HA   HIS 100           HA       HIS 100 -20.006   6.699  18.138
  774    HB2  HIS 100           HB2      HIS 100 -21.554   4.886  17.879
  775    HB3  HIS 100           HB3      HIS 100 -20.445   4.873  16.503
  776    HD2  HIS 100           HD2      HIS 100 -22.087   2.269  17.327
  777    HE1  HIS 100           HE1      HIS 100 -18.402   0.750  18.813
  778    HE2  HIS 100           HE2      HIS 100 -20.758   0.132  18.070
  779    H    SER 101           H        SER 101 -17.617   5.301  19.828
  780    HA   SER 101           HA       SER 101 -18.706   4.057  22.080
  781    HB2  SER 101           HB2      SER 101 -16.313   5.922  21.902
  782    HB3  SER 101           HB3      SER 101 -16.637   4.764  23.207
  783    HG   SER 101           HG       SER 101 -15.228   3.917  21.597
  784    H5'    U 102           H5'        U 102  -4.724  -6.128  13.554
  785   H5''    U 102          H5''        U 102  -3.080  -6.316  14.227
  786    H4'    U 102           H4'        U 102  -4.739  -3.839  14.797
  787    H3'    U 102           H3'        U 102  -2.898  -4.475  12.466
  788    H2'    U 102           H2'        U 102  -2.175  -2.209  12.557
  789   HO2'    U 102          HO2'        U 102  -4.276  -1.279  12.654
  790    H1'    U 102           H1'        U 102  -2.563  -1.984  15.366
  791    H3     U 102           H3         U 102   1.767  -4.281  13.219
  792    H5     U 102           H5         U 102   1.778  -0.920  15.746
  793    H6     U 102           H6         U 102  -0.656  -1.082  15.839
  794   HO5'    U 102          HO5'        U 102  -4.694  -7.241  15.588
  795    H5'    C 103           H5'        C 103  -5.859  -0.944   9.862
  796   H5''    C 103          H5''        C 103  -6.600  -1.356  11.418
  797    H4'    C 103           H4'        C 103  -8.197  -0.339   9.813
  798    H3'    C 103           H3'        C 103  -8.701  -2.492  11.464
  799    H2'    C 103           H2'        C 103  -8.353  -4.172   9.845
  800   HO2'    C 103          HO2'        C 103 -10.581  -4.325  10.524
  801    H1'    C 103           H1'        C 103  -9.760  -2.512   7.752
  802    H41    C 103           H41        C 103  -6.912  -6.542   3.750
  803    H42    C 103           H42        C 103  -5.878  -7.171   5.022
  804    H5     C 103           H5         C 103  -5.894  -6.268   7.314
  805    H6     C 103           H6         C 103  -6.898  -4.664   8.762
  806    H5'    C 104           H5'        C 104  -9.342   2.401  11.284
  807   H5''    C 104          H5''        C 104 -11.082   2.586  11.547
  808    H4'    C 104           H4'        C 104  -9.955   4.332  10.068
  809    H3'    C 104           H3'        C 104 -12.353   2.817   9.094
  810    H2'    C 104           H2'        C 104 -12.299   3.957   7.105
  811   HO2'    C 104          HO2'        C 104 -12.015   6.100   7.956
  812    H1'    C 104           H1'        C 104  -9.557   4.163   6.879
  813    H41    C 104           H41        C 104 -11.796  -0.539   3.123
  814    H42    C 104           H42        C 104 -12.286  -1.496   4.504
  815    H5     C 104           H5         C 104 -12.075  -0.661   6.828
  816    H6     C 104           H6         C 104 -11.337   1.207   8.174
  817    H5'    A 105           H5'        A 105 -15.695   6.878  10.810
  818   H5''    A 105          H5''        A 105 -15.094   8.392  10.147
  819    H4'    A 105           H4'        A 105 -14.684   8.428  12.503
  820    H3'    A 105           H3'        A 105 -12.628   8.761  10.564
  821    H2'    A 105           H2'        A 105 -11.600   6.730  11.207
  822   HO2'    A 105          HO2'        A 105 -10.639   8.744  12.976
  823    H1'    A 105           H1'        A 105 -12.527   7.546  14.001
  824    H8     A 105           H8         A 105 -11.211   4.671  11.913
  825    H61    A 105           H61        A 105  -9.821   1.987  17.355
  826    H62    A 105           H62        A 105  -9.699   1.822  15.614
  827    H2     A 105           H2         A 105 -11.932   5.804  18.156
  828    H5'    G 106           H5'        G 106 -13.070  11.031   9.322
  829   H5''    G 106          H5''        G 106 -11.526  10.341   9.889
  830    H4'    G 106           H4'        G 106 -10.760  12.903   9.690
  831    H3'    G 106           H3'        G 106 -13.290  13.203   8.767
  832    H2'    G 106           H2'        G 106 -13.365  11.740   6.995
  833   HO2'    G 106          HO2'        G 106 -13.389  13.819   5.967
  834    H1'    G 106           H1'        G 106 -10.609  11.928   6.009
  835    H8     G 106           H8         G 106 -13.108   9.654   7.953
  836    H1     G 106           H1         G 106  -9.821   6.894   3.169
  837    H21    G 106           H21        G 106  -8.250   8.289   2.443
  838    H22    G 106           H22        G 106  -8.037   9.874   3.155
  839    H5'    U 107           H5'        U 107 -12.154  15.852   5.443
  840   H5''    U 107          H5''        U 107 -12.451  17.483   6.082
  841    H4'    U 107           H4'        U 107 -14.969  16.854   5.285
  842    H3'    U 107           H3'        U 107 -13.883  14.687   4.142
  843   HO3'    U 107          HO3'        U 107 -15.381  16.674   2.742
  844    H2'    U 107           H2'        U 107 -11.936  15.739   3.307
  845   HO2'    U 107          HO2'        U 107 -13.838  15.922   1.197
  846    H1'    U 107           H1'        U 107 -13.388  18.011   2.044
  847    H3     U 107           H3         U 107  -9.701  20.484   4.460
  848    H5     U 107           H5         U 107  -8.504  17.578   1.676
  849    H6     U 107           H6         U 107 -10.788  16.791   1.602
  Start of MODEL   10
    1    H    MET   1           H1       MET   1  -5.733  21.986   5.865
    2    HA   MET   1           HA       MET   1  -6.000  19.734   5.126
    3    HB2  MET   1           HB2      MET   1  -6.137  21.826   2.925
    4    HB3  MET   1           HB3      MET   1  -6.851  20.205   2.818
    5    HG2  MET   1           HG2      MET   1  -7.533  22.292   4.921
    6    HG3  MET   1           HG3      MET   1  -8.501  21.905   3.499
    7    HE1  MET   1           HE1      MET   1 -10.622  21.583   4.945
    8    HE2  MET   1           HE2      MET   1 -10.715  20.552   6.384
    9    HE3  MET   1           HE3      MET   1  -9.683  21.997   6.404
   10    H    SER   2           H        SER   2  -4.946  17.981   4.473
   11    HA   SER   2           HA       SER   2  -2.926  18.185   2.324
   12    HB2  SER   2           HB2      SER   2  -2.387  16.942   5.046
   13    HB3  SER   2           HB3      SER   2  -1.289  16.921   3.651
   14    HG   SER   2           HG       SER   2  -1.227  19.200   3.770
   15    H    TYR   3           H        TYR   3  -5.695  16.831   3.343
   16    HA   TYR   3           HA       TYR   3  -5.195  14.306   1.882
   17    HB2  TYR   3           HB2      TYR   3  -6.545  14.462   4.605
   18    HB3  TYR   3           HB3      TYR   3  -6.379  13.017   3.623
   19    HD1  TYR   3           HD1      TYR   3  -4.208  11.918   3.321
   20    HD2  TYR   3           HD2      TYR   3  -4.647  15.372   5.849
   21    HE1  TYR   3           HE1      TYR   3  -1.957  11.498   4.274
   22    HE2  TYR   3           HE2      TYR   3  -2.394  14.982   6.786
   23    HH   TYR   3           HH       TYR   3  -0.320  12.276   5.675
   24    H    GLY   4           H        GLY   4  -7.434  13.143   1.669
   25    HA2  GLY   4           HA2      GLY   4  -9.737  14.930   1.580
   26    HA3  GLY   4           HA3      GLY   4  -9.076  14.511  -0.014
   27    H    ARG   5           H        ARG   5 -11.668  13.783   0.634
   28    HA   ARG   5           HA       ARG   5 -11.978  11.267   1.838
   29    HB2  ARG   5           HB2      ARG   5 -14.187  11.314   0.788
   30    HB3  ARG   5           HB3      ARG   5 -13.773  12.910   1.433
   31    HG2  ARG   5           HG2      ARG   5 -13.033  13.585  -0.889
   32    HG3  ARG   5           HG3      ARG   5 -13.643  12.023  -1.482
   33    HD2  ARG   5           HD2      ARG   5 -15.893  12.608  -0.555
   34    HD3  ARG   5           HD3      ARG   5 -15.238  14.186  -0.070
   35    HE   ARG   5           HE       ARG   5 -15.337  14.917  -2.251
   36   HH11  ARG   5          HH11      ARG   5 -15.762  11.408  -2.188
   37   HH12  ARG   5          HH12      ARG   5 -16.203  11.304  -3.874
   38   HH21  ARG   5          HH21      ARG   5 -15.916  14.763  -4.453
   39   HH22  ARG   5          HH22      ARG   5 -16.296  13.202  -5.152
   40    HA   PRO   6           HA       PRO   6 -10.768   8.180  -1.119
   41    HB2  PRO   6           HB2      PRO   6 -13.567   7.153  -0.692
   42    HB3  PRO   6           HB3      PRO   6 -12.027   6.243  -0.650
   43    HG2  PRO   6           HG2      PRO   6 -13.251   6.931   1.669
   44    HG3  PRO   6           HG3      PRO   6 -11.476   7.114   1.490
   45    HD2  PRO   6           HD2      PRO   6 -13.600   9.262   1.290
   46    HD3  PRO   6           HD3      PRO   6 -11.999   9.332   2.081
   47    HA   PRO   7           HA       PRO   7 -12.547   9.536  -4.934
   48    HB2  PRO   7           HB2      PRO   7 -11.942   7.485  -6.649
   49    HB3  PRO   7           HB3      PRO   7 -10.692   8.557  -5.933
   50    HG2  PRO   7           HG2      PRO   7 -11.578   5.819  -4.976
   51    HG3  PRO   7           HG3      PRO   7  -9.903   6.409  -5.251
   52    HD2  PRO   7           HD2      PRO   7 -11.070   6.405  -2.774
   53    HD3  PRO   7           HD3      PRO   7  -9.963   7.722  -3.279
   54    HA   PRO   8           HA       PRO   8 -16.576   7.702  -5.358
   55    HB2  PRO   8           HB2      PRO   8 -17.286   8.341  -7.916
   56    HB3  PRO   8           HB3      PRO   8 -17.051   9.599  -6.654
   57    HG2  PRO   8           HG2      PRO   8 -15.056   8.668  -8.744
   58    HG3  PRO   8           HG3      PRO   8 -15.543  10.352  -8.352
   59    HD2  PRO   8           HD2      PRO   8 -13.304   9.213  -7.301
   60    HD3  PRO   8           HD3      PRO   8 -14.319  10.322  -6.332
   61    H    ASP   9           H        ASP   9 -17.852   6.114  -6.692
   62    HA   ASP   9           HA       ASP   9 -18.102   4.032  -7.498
   63    HB2  ASP   9           HB2      ASP   9 -15.867   4.883  -9.376
   64    HB3  ASP   9           HB3      ASP   9 -16.988   3.539  -9.645
   65    H    VAL  10           H        VAL  10 -16.052   4.460  -5.311
   66    HA   VAL  10           HA       VAL  10 -13.905   2.664  -5.682
   67    HB   VAL  10           HB       VAL  10 -14.045   4.365  -3.906
   68   HG11  VAL  10          HG11      VAL  10 -16.057   2.491  -2.588
   69   HG12  VAL  10          HG12      VAL  10 -15.387   3.974  -1.886
   70   HG13  VAL  10          HG13      VAL  10 -16.443   4.077  -3.306
   71   HG21  VAL  10          HG21      VAL  10 -12.503   2.419  -3.660
   72   HG22  VAL  10          HG22      VAL  10 -13.064   3.068  -2.104
   73   HG23  VAL  10          HG23      VAL  10 -13.762   1.565  -2.739
   74    H    GLU  11           H        GLU  11 -17.285   2.057  -5.194
   75    HA   GLU  11           HA       GLU  11 -17.059  -0.603  -4.097
   76    HB2  GLU  11           HB2      GLU  11 -19.334   0.736  -5.621
   77    HB3  GLU  11           HB3      GLU  11 -19.458  -0.729  -4.619
   78    HG2  GLU  11           HG2      GLU  11 -18.695   0.594  -2.649
   79    HG3  GLU  11           HG3      GLU  11 -18.670   2.048  -3.658
   80    H    GLY  12           H        GLY  12 -15.963   0.496  -6.959
   81    HA2  GLY  12           HA2      GLY  12 -16.384  -2.102  -8.333
   82    HA3  GLY  12           HA3      GLY  12 -16.761  -0.592  -9.191
   83    H    MET  13           H        MET  13 -14.104  -0.710  -6.878
   84    HA   MET  13           HA       MET  13 -12.107  -1.021  -9.059
   85    HB2  MET  13           HB2      MET  13 -12.217   1.261  -7.052
   86    HB3  MET  13           HB3      MET  13 -10.847   0.898  -8.120
   87    HG2  MET  13           HG2      MET  13 -12.404   1.127 -10.083
   88    HG3  MET  13           HG3      MET  13 -13.650   1.701  -8.964
   89    HE1  MET  13           HE1      MET  13 -13.370   3.890  -7.477
   90    HE2  MET  13           HE2      MET  13 -11.739   3.429  -6.917
   91    HE3  MET  13           HE3      MET  13 -12.020   5.039  -7.628
   92    H    THR  14           H        THR  14  -9.841  -1.099  -8.045
   93    HA   THR  14           HA       THR  14  -9.696  -3.259  -6.204
   94    HB   THR  14           HB       THR  14  -7.508  -1.255  -6.846
   95   HG21  THR  14          HG21      THR  14  -6.078  -3.312  -6.783
   96   HG22  THR  14          HG22      THR  14  -6.778  -2.908  -5.213
   97   HG23  THR  14          HG23      THR  14  -7.487  -4.227  -6.188
   98    H    SER  15           H        SER  15  -8.413  -3.152  -4.123
   99    HA   SER  15           HA       SER  15  -8.792  -0.694  -2.550
  100    HB2  SER  15           HB2      SER  15 -10.157  -1.894  -0.842
  101    HB3  SER  15           HB3      SER  15 -10.997  -1.701  -2.388
  102    HG   SER  15           HG       SER  15  -9.652  -4.027  -1.465
  103    H    LEU  16           H        LEU  16  -6.345  -1.615  -3.183
  104    HA   LEU  16           HA       LEU  16  -5.364  -3.680  -1.436
  105    HB2  LEU  16           HB2      LEU  16  -4.243  -2.798  -3.545
  106    HB3  LEU  16           HB3      LEU  16  -3.888  -1.302  -2.663
  107    HG   LEU  16           HG       LEU  16  -2.626  -2.721  -0.951
  108   HD11  LEU  16          HD11      LEU  16  -3.691  -4.914  -1.581
  109   HD12  LEU  16          HD12      LEU  16  -2.874  -4.820  -3.158
  110   HD13  LEU  16          HD13      LEU  16  -1.917  -4.964  -1.670
  111   HD21  LEU  16          HD21      LEU  16  -0.640  -2.977  -2.411
  112   HD22  LEU  16          HD22      LEU  16  -1.681  -2.798  -3.832
  113   HD23  LEU  16          HD23      LEU  16  -1.466  -1.433  -2.704
  114    H    LYS  17           H        LYS  17  -4.298  -3.441   0.664
  115    HA   LYS  17           HA       LYS  17  -4.137  -0.645   1.528
  116    HB2  LYS  17           HB2      LYS  17  -5.007  -0.917   3.573
  117    HB3  LYS  17           HB3      LYS  17  -6.065  -1.964   2.615
  118    HG2  LYS  17           HG2      LYS  17  -4.949  -3.960   3.563
  119    HG3  LYS  17           HG3      LYS  17  -3.739  -2.917   4.357
  120    HD2  LYS  17           HD2      LYS  17  -5.651  -1.727   5.522
  121    HD3  LYS  17           HD3      LYS  17  -6.742  -2.944   4.858
  122    HE2  LYS  17           HE2      LYS  17  -6.194  -3.513   7.128
  123    HE3  LYS  17           HE3      LYS  17  -5.435  -4.713   6.057
  124    HZ1  LYS  17           HZ1      LYS  17  -4.014  -3.858   7.864
  125    HZ2  LYS  17           HZ2      LYS  17  -3.347  -3.605   6.382
  126    HZ3  LYS  17           HZ3      LYS  17  -4.057  -2.370   7.203
  127    H    VAL  18           H        VAL  18  -2.667  -0.357   3.496
  128    HA   VAL  18           HA       VAL  18  -0.246  -2.088   3.342
  129    HB   VAL  18           HB       VAL  18  -0.479   0.911   3.002
  130   HG11  VAL  18          HG11      VAL  18   2.045  -0.788   3.126
  131   HG12  VAL  18          HG12      VAL  18   1.955   0.963   2.780
  132   HG13  VAL  18          HG13      VAL  18   1.479   0.352   4.366
  133   HG21  VAL  18          HG21      VAL  18   0.562   0.599   0.797
  134   HG22  VAL  18          HG22      VAL  18   0.565  -1.159   1.033
  135   HG23  VAL  18          HG23      VAL  18  -0.977  -0.280   0.913
  136    H    ASP  19           H        ASP  19   0.781  -2.238   5.320
  137    HA   ASP  19           HA       ASP  19   0.208  -0.358   7.489
  138    HB2  ASP  19           HB2      ASP  19  -0.675  -2.155   8.963
  139    HB3  ASP  19           HB3      ASP  19  -1.744  -1.777   7.599
  140    H    ASN  20           H        ASN  20   1.197  -1.277   9.600
  141    HA   ASN  20           HA       ASN  20   2.753  -2.276  10.837
  142    HB2  ASN  20           HB2      ASN  20   2.601  -4.171   9.007
  143    HB3  ASN  20           HB3      ASN  20   4.207  -3.578   8.557
  144   HD21  ASN  20          HD22      ASN  20   5.956  -3.939  10.025
  145   HD22  ASN  20          HD21      ASN  20   5.785  -4.967  11.433
  146    H    LEU  21           H        LEU  21   3.066   0.382   9.571
  147    HA   LEU  21           HA       LEU  21   5.741   0.878   8.821
  148    HB2  LEU  21           HB2      LEU  21   5.219   3.222   9.493
  149    HB3  LEU  21           HB3      LEU  21   4.100   2.500   8.337
  150    HG   LEU  21           HG       LEU  21   2.383   2.290   9.947
  151   HD11  LEU  21          HD11      LEU  21   2.642   3.039  12.318
  152   HD12  LEU  21          HD12      LEU  21   3.568   1.573  11.961
  153   HD13  LEU  21          HD13      LEU  21   4.393   3.158  12.064
  154   HD21  LEU  21          HD21      LEU  21   2.007   4.592  10.622
  155   HD22  LEU  21          HD22      LEU  21   3.733   4.963  10.460
  156   HD23  LEU  21          HD23      LEU  21   2.767   4.555   9.020
  157    H    THR  22           H        THR  22   7.072   2.585  10.180
  158    HA   THR  22           HA       THR  22   7.817   1.168  12.674
  159    HB   THR  22           HB       THR  22   9.903   2.280  12.519
  160   HG21  THR  22          HG21      THR  22  10.736   1.710  10.303
  161   HG22  THR  22          HG22      THR  22   9.605   0.454  10.854
  162   HG23  THR  22          HG23      THR  22   9.079   1.664   9.657
  163    H    TYR  23           H        TYR  23   8.655   2.594  14.478
  164    HA   TYR  23           HA       TYR  23   6.607   4.416  15.337
  165    HB2  TYR  23           HB2      TYR  23   7.954   4.615  17.329
  166    HB3  TYR  23           HB3      TYR  23   7.907   2.927  16.830
  167    HD1  TYR  23           HD2      TYR  23   9.937   1.906  15.698
  168    HD2  TYR  23           HD1      TYR  23   9.999   5.823  17.487
  169    HE1  TYR  23           HE2      TYR  23  12.423   1.855  15.739
  170    HE2  TYR  23           HE1      TYR  23  12.471   5.771  17.531
  171    HH   TYR  23           HH       TYR  23  14.353   4.576  17.028
  172    H    ARG  24           H        ARG  24   8.722   4.962  12.945
  173    HA   ARG  24           HA       ARG  24   9.088   7.845  13.638
  174    HB2  ARG  24           HB2      ARG  24  10.983   5.993  12.143
  175    HB3  ARG  24           HB3      ARG  24  11.224   7.729  12.344
  176    HG2  ARG  24           HG2      ARG  24  11.135   5.671  14.587
  177    HG3  ARG  24           HG3      ARG  24  12.592   6.442  13.941
  178    HD2  ARG  24           HD2      ARG  24  10.277   7.886  15.273
  179    HD3  ARG  24           HD3      ARG  24  11.823   7.494  16.046
  180    HE   ARG  24           HE       ARG  24  12.569   8.910  13.803
  181   HH11  ARG  24          HH11      ARG  24  10.382   9.553  16.496
  182   HH12  ARG  24          HH12      ARG  24  10.610  11.286  16.427
  183   HH21  ARG  24          HH21      ARG  24  12.878  11.163  13.747
  184   HH22  ARG  24          HH22      ARG  24  12.035  12.194  14.878
  185    H    THR  25           H        THR  25   7.663   5.575  11.551
  186    HA   THR  25           HA       THR  25   7.825   7.058   9.084
  187    HB   THR  25           HB       THR  25   5.758   5.036  10.031
  188   HG21  THR  25          HG21      THR  25   6.641   5.954   7.260
  189   HG22  THR  25          HG22      THR  25   5.677   4.493   7.558
  190   HG23  THR  25          HG23      THR  25   5.012   6.084   7.967
  191    H    SER  26           H        SER  26   5.862   8.021   8.034
  192    HA   SER  26           HA       SER  26   3.896   9.230   9.895
  193    HB2  SER  26           HB2      SER  26   5.706  10.755   7.972
  194    HB3  SER  26           HB3      SER  26   4.327  11.456   8.836
  195    HG   SER  26           HG       SER  26   6.334  11.789   9.912
  196    HA   PRO  27           HA       PRO  27   1.298   8.471   6.396
  197    HB2  PRO  27           HB2      PRO  27  -0.565  10.458   6.485
  198    HB3  PRO  27           HB3      PRO  27  -0.486   9.143   7.701
  199    HG2  PRO  27           HG2      PRO  27   0.652  11.946   7.931
  200    HG3  PRO  27           HG3      PRO  27  -0.337  11.052   9.129
  201    HD2  PRO  27           HD2      PRO  27   2.383  11.163   9.281
  202    HD3  PRO  27           HD3      PRO  27   1.481   9.688   9.743
  203    H    ASP  28           H        ASP  28   3.064  11.478   6.715
  204    HA   ASP  28           HA       ASP  28   2.491  12.525   4.078
  205    HB2  ASP  28           HB2      ASP  28   4.836  12.967   5.976
  206    HB3  ASP  28           HB3      ASP  28   4.481  13.935   4.536
  207    H    THR  29           H        THR  29   5.140  10.481   5.481
  208    HA   THR  29           HA       THR  29   6.597  10.329   3.003
  209    HB   THR  29           HB       THR  29   7.281   8.002   4.076
  210   HG21  THR  29          HG21      THR  29   8.031  10.705   5.300
  211   HG22  THR  29          HG22      THR  29   8.996   9.216   5.423
  212   HG23  THR  29          HG23      THR  29   8.751   9.999   3.841
  213    H    LEU  30           H        LEU  30   4.163   8.128   4.561
  214    HA   LEU  30           HA       LEU  30   4.416   6.156   2.581
  215    HB2  LEU  30           HB2      LEU  30   1.945   6.806   4.208
  216    HB3  LEU  30           HB3      LEU  30   2.292   5.307   3.344
  217    HG   LEU  30           HG       LEU  30   4.216   6.354   5.453
  218   HD11  LEU  30          HD11      LEU  30   3.066   4.767   6.995
  219   HD12  LEU  30          HD12      LEU  30   1.964   6.061   6.465
  220   HD13  LEU  30          HD13      LEU  30   1.849   4.442   5.738
  221   HD21  LEU  30          HD21      LEU  30   4.866   3.973   5.528
  222   HD22  LEU  30          HD22      LEU  30   3.672   3.608   4.264
  223   HD23  LEU  30          HD23      LEU  30   5.073   4.649   3.901
  224    H    ARG  31           H        ARG  31   2.575   9.217   2.495
  225    HA   ARG  31           HA       ARG  31   1.022   8.544   0.164
  226    HB2  ARG  31           HB2      ARG  31   0.397  10.492   1.456
  227    HB3  ARG  31           HB3      ARG  31   2.034  11.149   1.379
  228    HG2  ARG  31           HG2      ARG  31   0.534  12.368  -0.130
  229    HG3  ARG  31           HG3      ARG  31   1.829  11.558  -1.017
  230    HD2  ARG  31           HD2      ARG  31   0.181   9.651  -1.449
  231    HD3  ARG  31           HD3      ARG  31  -1.081  10.711  -0.808
  232    HE   ARG  31           HE       ARG  31   0.565  11.149  -3.272
  233   HH11  ARG  31          HH11      ARG  31  -2.257  12.022  -1.333
  234   HH12  ARG  31          HH12      ARG  31  -2.949  13.019  -2.593
  235   HH21  ARG  31          HH21      ARG  31  -0.316  12.416  -4.851
  236   HH22  ARG  31          HH22      ARG  31  -1.845  13.242  -4.617
  237    H    ARG  32           H        ARG  32   4.276  10.047   0.536
  238    HA   ARG  32           HA       ARG  32   4.477  10.354  -2.372
  239    HB2  ARG  32           HB2      ARG  32   5.421  11.987  -0.764
  240    HB3  ARG  32           HB3      ARG  32   6.504  10.738  -0.128
  241    HG2  ARG  32           HG2      ARG  32   7.563  10.512  -2.362
  242    HG3  ARG  32           HG3      ARG  32   6.497  11.790  -2.997
  243    HD2  ARG  32           HD2      ARG  32   7.405  13.362  -1.306
  244    HD3  ARG  32           HD3      ARG  32   8.478  12.077  -0.706
  245    HE   ARG  32           HE       ARG  32   8.918  12.352  -3.494
  246   HH11  ARG  32          HH11      ARG  32   9.400  14.207  -0.520
  247   HH12  ARG  32          HH12      ARG  32  10.771  15.088  -1.155
  248   HH21  ARG  32          HH21      ARG  32  10.717  13.502  -4.286
  249   HH22  ARG  32          HH22      ARG  32  11.512  14.688  -3.284
  250    H    VAL  33           H        VAL  33   5.983   8.252   0.105
  251    HA   VAL  33           HA       VAL  33   7.830   7.004  -1.664
  252    HB   VAL  33           HB       VAL  33   8.202   5.436   0.187
  253   HG11  VAL  33          HG11      VAL  33   7.659   8.242   1.220
  254   HG12  VAL  33          HG12      VAL  33   8.661   6.998   2.001
  255   HG13  VAL  33          HG13      VAL  33   9.143   7.680   0.434
  256   HG21  VAL  33          HG21      VAL  33   6.677   5.672   2.216
  257   HG22  VAL  33          HG22      VAL  33   5.509   6.394   1.058
  258   HG23  VAL  33          HG23      VAL  33   6.097   4.741   0.813
  259    H    PHE  34           H        PHE  34   4.389   6.415  -1.045
  260    HA   PHE  34           HA       PHE  34   4.535   3.916  -2.639
  261    HB2  PHE  34           HB2      PHE  34   2.402   5.243  -0.969
  262    HB3  PHE  34           HB3      PHE  34   1.975   4.039  -2.169
  263    HD1  PHE  34           HD2      PHE  34   3.881   4.527   0.986
  264    HD2  PHE  34           HD1      PHE  34   2.374   1.736  -1.906
  265    HE1  PHE  34           HE2      PHE  34   4.518   2.646   2.476
  266    HE2  PHE  34           HE1      PHE  34   2.958  -0.148  -0.396
  267    HZ   PHE  34           HZ       PHE  34   4.075   0.309   1.774
  268    H    GLU  35           H        GLU  35   3.882   7.299  -3.058
  269    HA   GLU  35           HA       GLU  35   1.970   7.199  -5.135
  270    HB2  GLU  35           HB2      GLU  35   2.657   9.243  -3.938
  271    HB3  GLU  35           HB3      GLU  35   4.234   9.200  -4.753
  272    HG2  GLU  35           HG2      GLU  35   3.190   9.586  -6.895
  273    HG3  GLU  35           HG3      GLU  35   1.571   9.329  -6.205
  274    H    LYS  36           H        LYS  36   5.346   6.299  -5.168
  275    HA   LYS  36           HA       LYS  36   5.771   6.686  -8.003
  276    HB2  LYS  36           HB2      LYS  36   7.900   5.684  -7.594
  277    HB3  LYS  36           HB3      LYS  36   7.484   6.687  -6.179
  278    HG2  LYS  36           HG2      LYS  36   6.791   4.670  -4.946
  279    HG3  LYS  36           HG3      LYS  36   7.167   3.660  -6.357
  280    HD2  LYS  36           HD2      LYS  36   9.004   3.562  -4.756
  281    HD3  LYS  36           HD3      LYS  36   9.545   4.380  -6.233
  282    HE2  LYS  36           HE2      LYS  36   9.197   6.581  -5.144
  283    HE3  LYS  36           HE3      LYS  36   8.637   5.770  -3.674
  284    HZ1  LYS  36           HZ1      LYS  36  10.946   6.377  -3.527
  285    HZ2  LYS  36           HZ2      LYS  36  10.798   4.741  -3.486
  286    HZ3  LYS  36           HZ3      LYS  36  11.317   5.476  -4.856
  287    H    TYR  37           H        TYR  37   4.320   4.177  -6.080
  288    HA   TYR  37           HA       TYR  37   4.711   2.066  -8.086
  289    HB2  TYR  37           HB2      TYR  37   3.036   2.223  -5.551
  290    HB3  TYR  37           HB3      TYR  37   3.217   0.775  -6.547
  291    HD1  TYR  37           HD2      TYR  37   5.069   3.189  -4.429
  292    HD2  TYR  37           HD1      TYR  37   5.094  -0.637  -6.374
  293    HE1  TYR  37           HE2      TYR  37   7.140   2.597  -3.209
  294    HE2  TYR  37           HE1      TYR  37   7.162  -1.254  -5.153
  295    HH   TYR  37           HH       TYR  37   8.769  -0.578  -3.671
  296    H    GLY  38           H        GLY  38   2.469   4.675  -7.527
  297    HA2  GLY  38           HA2      GLY  38   1.033   4.741  -9.719
  298    HA3  GLY  38           HA3      GLY  38   0.313   3.295  -8.998
  299    H    ARG  39           H        ARG  39  -1.615   4.467  -9.012
  300    HA   ARG  39           HA       ARG  39  -2.139   6.887  -7.673
  301    HB2  ARG  39           HB2      ARG  39  -4.449   6.363  -8.025
  302    HB3  ARG  39           HB3      ARG  39  -3.507   5.890  -9.438
  303    HG2  ARG  39           HG2      ARG  39  -3.500   3.501  -8.352
  304    HG3  ARG  39           HG3      ARG  39  -4.855   4.136  -7.374
  305    HD2  ARG  39           HD2      ARG  39  -5.851   3.102  -9.241
  306    HD3  ARG  39           HD3      ARG  39  -5.944   4.847  -9.553
  307    HE   ARG  39           HE       ARG  39  -3.587   3.430 -10.649
  308   HH11  ARG  39          HH11      ARG  39  -6.841   4.658 -11.304
  309   HH12  ARG  39          HH12      ARG  39  -6.601   4.693 -13.033
  310   HH21  ARG  39          HH21      ARG  39  -3.303   3.481 -12.878
  311   HH22  ARG  39          HH22      ARG  39  -4.600   4.015 -13.928
  312    H    VAL  40           H        VAL  40  -1.123   6.854  -5.690
  313    HA   VAL  40           HA       VAL  40  -2.006   5.210  -3.481
  314    HB   VAL  40           HB       VAL  40   0.137   6.200  -3.493
  315   HG11  VAL  40          HG11      VAL  40  -1.212   8.928  -3.586
  316   HG12  VAL  40          HG12      VAL  40   0.528   8.630  -3.398
  317   HG13  VAL  40          HG13      VAL  40  -0.286   8.159  -4.901
  318   HG21  VAL  40          HG21      VAL  40  -1.450   7.693  -1.357
  319   HG22  VAL  40          HG22      VAL  40  -1.093   5.957  -1.327
  320   HG23  VAL  40          HG23      VAL  40   0.233   7.141  -1.299
  321    H    GLY  41           H        GLY  41  -4.235   5.681  -4.656
  322    HA2  GLY  41           HA2      GLY  41  -5.611   8.115  -4.518
  323    HA3  GLY  41           HA3      GLY  41  -6.358   6.510  -4.584
  324    H    ASP  42           H        ASP  42  -4.750   6.075  -1.859
  325    HA   ASP  42           HA       ASP  42  -6.309   7.799  -0.043
  326    HB2  ASP  42           HB2      ASP  42  -6.728   4.859  -0.468
  327    HB3  ASP  42           HB3      ASP  42  -6.782   5.478   1.192
  328    H    VAL  43           H        VAL  43  -5.387   7.987   1.951
  329    HA   VAL  43           HA       VAL  43  -3.201   6.271   2.831
  330    HB   VAL  43           HB       VAL  43  -1.876   7.623   1.438
  331   HG11  VAL  43          HG11      VAL  43  -3.276  10.093   2.535
  332   HG12  VAL  43          HG12      VAL  43  -1.867  10.091   1.456
  333   HG13  VAL  43          HG13      VAL  43  -3.404   9.429   0.891
  334   HG21  VAL  43          HG21      VAL  43  -0.444   8.812   3.013
  335   HG22  VAL  43          HG22      VAL  43  -1.740   8.840   4.223
  336   HG23  VAL  43          HG23      VAL  43  -1.014   7.292   3.735
  337    H    TYR  44           H        TYR  44  -3.649   5.936   4.916
  338    HA   TYR  44           HA       TYR  44  -4.762   8.133   6.549
  339    HB2  TYR  44           HB2      TYR  44  -6.566   6.799   5.263
  340    HB3  TYR  44           HB3      TYR  44  -6.216   5.500   6.408
  341    HD1  TYR  44           HD2      TYR  44  -6.979   9.159   6.229
  342    HD2  TYR  44           HD1      TYR  44  -7.371   5.522   8.480
  343    HE1  TYR  44           HE2      TYR  44  -8.427  10.342   7.867
  344    HE2  TYR  44           HE1      TYR  44  -8.836   6.686  10.116
  345    HH   TYR  44           HH       TYR  44  -9.793   8.706  10.734
  346    H    ILE  45           H        ILE  45  -5.020   7.434   8.854
  347    HA   ILE  45           HA       ILE  45  -3.461   5.059   9.673
  348    HB   ILE  45           HB       ILE  45  -2.889   7.890  10.595
  349   HG12  ILE  45          HG12      ILE  45  -1.128   5.665   9.463
  350   HG13  ILE  45          HG13      ILE  45  -1.703   7.082   8.560
  351   HG21  ILE  45          HG21      ILE  45  -1.407   6.837  12.292
  352   HG22  ILE  45          HG22      ILE  45  -3.090   6.371  12.565
  353   HG23  ILE  45          HG23      ILE  45  -1.990   5.229  11.786
  354   HD11  ILE  45          HD11      ILE  45   0.194   7.108  10.942
  355   HD12  ILE  45          HD12      ILE  45   0.578   7.460   9.255
  356   HD13  ILE  45          HD13      ILE  45  -0.486   8.559  10.160
  357    HA   PRO  46           HA       PRO  46  -7.556   5.036  11.606
  358    HB2  PRO  46           HB2      PRO  46  -6.361   2.368  12.340
  359    HB3  PRO  46           HB3      PRO  46  -8.031   2.716  11.794
  360    HG2  PRO  46           HG2      PRO  46  -6.284   1.696  10.023
  361    HG3  PRO  46           HG3      PRO  46  -7.293   3.112   9.548
  362    HD2  PRO  46           HD2      PRO  46  -4.428   3.115  10.535
  363    HD3  PRO  46           HD3      PRO  46  -5.137   3.943   9.110
  364    H    ARG  47           H        ARG  47  -4.793   5.783  13.098
  365    HA   ARG  47           HA       ARG  47  -4.954   4.588  15.656
  366    HB2  ARG  47           HB2      ARG  47  -3.477   6.316  16.414
  367    HB3  ARG  47           HB3      ARG  47  -3.020   5.893  14.758
  368    HG2  ARG  47           HG2      ARG  47  -4.325   7.890  13.946
  369    HG3  ARG  47           HG3      ARG  47  -4.620   8.334  15.649
  370    HD2  ARG  47           HD2      ARG  47  -2.173   8.392  16.041
  371    HD3  ARG  47           HD3      ARG  47  -1.903   8.008  14.328
  372    HE   ARG  47           HE       ARG  47  -3.590  10.294  14.489
  373   HH11  ARG  47          HH11      ARG  47  -0.234   9.371  15.140
  374   HH12  ARG  47          HH12      ARG  47   0.377  10.992  14.887
  375   HH21  ARG  47          HH21      ARG  47  -2.754  12.392  14.144
  376   HH22  ARG  47          HH22      ARG  47  -1.040  12.678  14.301
  377    H    ASP  48           H        ASP  48  -5.645   5.639  17.729
  378    HA   ASP  48           HA       ASP  48  -8.381   6.100  17.721
  379    HB2  ASP  48           HB2      ASP  48  -6.378   7.142  19.748
  380    HB3  ASP  48           HB3      ASP  48  -8.119   6.878  20.011
  381    H    ARG  49           H        ARG  49  -9.686   7.686  17.269
  382    HA   ARG  49           HA       ARG  49  -8.766  10.043  15.966
  383    HB2  ARG  49           HB2      ARG  49 -10.770   8.747  15.402
  384    HB3  ARG  49           HB3      ARG  49 -11.511   9.166  16.952
  385    HG2  ARG  49           HG2      ARG  49 -11.660  11.523  16.285
  386    HG3  ARG  49           HG3      ARG  49 -10.754  11.175  14.782
  387    HD2  ARG  49           HD2      ARG  49 -12.501   9.612  14.092
  388    HD3  ARG  49           HD3      ARG  49 -13.418   9.925  15.571
  389    HE   ARG  49           HE       ARG  49 -12.949  11.853  13.336
  390   HH11  ARG  49          HH11      ARG  49 -14.768  10.959  16.258
  391   HH12  ARG  49          HH12      ARG  49 -16.000  12.167  15.944
  392   HH21  ARG  49          HH21      ARG  49 -14.585  13.350  13.002
  393   HH22  ARG  49          HH22      ARG  49 -15.894  13.509  14.174
  394    H    TYR  50           H        TYR  50  -8.710   9.498  19.251
  395    HA   TYR  50           HA       TYR  50  -9.084  12.401  19.807
  396    HB2  TYR  50           HB2      TYR  50 -10.199  10.355  21.705
  397    HB3  TYR  50           HB3      TYR  50 -10.568  12.075  21.586
  398    HD1  TYR  50           HD2      TYR  50 -11.852  12.813  19.384
  399    HD2  TYR  50           HD1      TYR  50 -11.570   8.766  20.808
  400    HE1  TYR  50           HE2      TYR  50 -13.837  12.203  18.031
  401    HE2  TYR  50           HE1      TYR  50 -13.545   8.141  19.462
  402    HH   TYR  50           HH       TYR  50 -15.163   8.871  17.994
  403    H    THR  51           H        THR  51  -7.291   9.504  20.300
  404    HA   THR  51           HA       THR  51  -5.764  10.808  22.491
  405    HB   THR  51           HB       THR  51  -5.655   8.692  23.704
  406   HG21  THR  51          HG21      THR  51  -7.960   8.561  24.500
  407   HG22  THR  51          HG22      THR  51  -7.571  10.264  24.153
  408   HG23  THR  51          HG23      THR  51  -8.564   9.323  23.015
  409    H    LYS  52           H        LYS  52  -5.759   9.505  19.440
  410    HA   LYS  52           HA       LYS  52  -4.298   8.352  18.158
  411    HB2  LYS  52           HB2      LYS  52  -2.284   9.784  17.732
  412    HB3  LYS  52           HB3      LYS  52  -3.840  10.611  17.652
  413    HG2  LYS  52           HG2      LYS  52  -2.328  10.610  20.259
  414    HG3  LYS  52           HG3      LYS  52  -1.763  11.662  18.954
  415    HD2  LYS  52           HD2      LYS  52  -3.741  12.920  18.893
  416    HD3  LYS  52           HD3      LYS  52  -4.680  11.701  19.771
  417    HE2  LYS  52           HE2      LYS  52  -3.337  12.052  21.779
  418    HE3  LYS  52           HE3      LYS  52  -2.353  13.265  20.936
  419    HZ1  LYS  52           HZ1      LYS  52  -4.063  14.306  22.254
  420    HZ2  LYS  52           HZ2      LYS  52  -4.343  14.592  20.659
  421    HZ3  LYS  52           HZ3      LYS  52  -5.243  13.486  21.465
  422    H    GLU  53           H        GLU  53  -4.259   6.622  20.093
  423    HA   GLU  53           HA       GLU  53  -1.407   6.268  20.894
  424    HB2  GLU  53           HB2      GLU  53  -2.179   5.130  22.878
  425    HB3  GLU  53           HB3      GLU  53  -2.898   6.741  22.793
  426    HG2  GLU  53           HG2      GLU  53  -4.998   5.783  21.918
  427    HG3  GLU  53           HG3      GLU  53  -4.289   4.159  21.962
  428    H    SER  54           H        SER  54  -3.125   5.278  18.478
  429    HA   SER  54           HA       SER  54  -2.066   2.499  18.643
  430    HB2  SER  54           HB2      SER  54  -4.692   3.345  17.344
  431    HB3  SER  54           HB3      SER  54  -3.977   1.717  17.305
  432    HG   SER  54           HG       SER  54  -4.991   3.152  19.504
  433    H    ARG  55           H        ARG  55  -0.952   5.006  17.662
  434    HA   ARG  55           HA       ARG  55  -0.955   5.142  14.822
  435    HB2  ARG  55           HB2      ARG  55   0.881   6.679  15.172
  436    HB3  ARG  55           HB3      ARG  55  -0.311   6.916  16.469
  437    HG2  ARG  55           HG2      ARG  55   1.078   5.457  17.973
  438    HG3  ARG  55           HG3      ARG  55   2.282   5.322  16.682
  439    HD2  ARG  55           HD2      ARG  55   3.019   7.049  18.190
  440    HD3  ARG  55           HD3      ARG  55   2.494   7.832  16.690
  441    HE   ARG  55           HE       ARG  55   0.299   7.722  18.532
  442   HH11  ARG  55          HH11      ARG  55   3.401   9.364  18.076
  443   HH12  ARG  55          HH12      ARG  55   2.917  10.773  18.987
  444   HH21  ARG  55          HH21      ARG  55  -0.291   9.541  19.723
  445   HH22  ARG  55          HH22      ARG  55   0.833  10.871  19.930
  446    H    GLY  56           H        GLY  56  -0.122   2.487  16.403
  447    HA2  GLY  56           HA2      GLY  56   2.580   1.928  15.633
  448    HA3  GLY  56           HA3      GLY  56   1.367   0.761  16.177
  449    H    PHE  57           H        PHE  57  -0.106   2.256  13.590
  450    HA   PHE  57           HA       PHE  57   1.349   0.904  11.450
  451    HB2  PHE  57           HB2      PHE  57  -0.214  -0.705  10.882
  452    HB3  PHE  57           HB3      PHE  57  -0.098  -0.860  12.630
  453    HD1  PHE  57           HD1      PHE  57  -1.899   0.745  13.941
  454    HD2  PHE  57           HD2      PHE  57  -2.273  -0.714   9.910
  455    HE1  PHE  57           HE1      PHE  57  -4.346   1.038  14.060
  456    HE2  PHE  57           HE2      PHE  57  -4.707  -0.357  10.000
  457    HZ   PHE  57           HZ       PHE  57  -5.773   0.454  12.110
  458    H    ALA  58           H        ALA  58  -0.377   0.925   9.428
  459    HA   ALA  58           HA       ALA  58  -1.697   3.570   9.332
  460    HB1  ALA  58           HB1      ALA  58   0.524   2.676   7.450
  461    HB2  ALA  58           HB2      ALA  58  -0.446   4.150   7.276
  462    HB3  ALA  58           HB3      ALA  58   0.635   3.977   8.669
  463    H    PHE  59           H        PHE  59  -2.485   3.787   6.859
  464    HA   PHE  59           HA       PHE  59  -3.482   1.231   5.821
  465    HB2  PHE  59           HB2      PHE  59  -4.989   2.098   7.691
  466    HB3  PHE  59           HB3      PHE  59  -5.399   3.439   6.634
  467    HD1  PHE  59           HD1      PHE  59  -5.247   1.332   4.083
  468    HD2  PHE  59           HD2      PHE  59  -7.354   1.558   7.834
  469    HE1  PHE  59           HE1      PHE  59  -7.011  -0.129   3.179
  470    HE2  PHE  59           HE2      PHE  59  -9.138   0.134   6.908
  471    HZ   PHE  59           HZ       PHE  59  -8.964  -0.751   4.594
  472    H    VAL  60           H        VAL  60  -1.783   2.293   4.266
  473    HA   VAL  60           HA       VAL  60  -2.899   4.412   2.551
  474    HB   VAL  60           HB       VAL  60  -0.668   2.459   1.846
  475   HG11  VAL  60          HG11      VAL  60  -1.493   3.780  -0.036
  476   HG12  VAL  60          HG12      VAL  60  -1.309   5.277   0.922
  477   HG13  VAL  60          HG13      VAL  60   0.116   4.331   0.450
  478   HG21  VAL  60          HG21      VAL  60  -0.407   5.148   3.250
  479   HG22  VAL  60          HG22      VAL  60  -0.146   3.566   4.025
  480   HG23  VAL  60          HG23      VAL  60   0.904   4.077   2.692
  481    H    ARG  61           H        ARG  61  -3.588   3.952   0.233
  482    HA   ARG  61           HA       ARG  61  -4.207   1.150  -0.337
  483    HB2  ARG  61           HB2      ARG  61  -6.172   1.442   0.832
  484    HB3  ARG  61           HB3      ARG  61  -6.255   3.166   0.502
  485    HG2  ARG  61           HG2      ARG  61  -6.980   2.732  -1.810
  486    HG3  ARG  61           HG3      ARG  61  -6.796   0.981  -1.559
  487    HD2  ARG  61           HD2      ARG  61  -9.138   1.676  -1.437
  488    HD3  ARG  61           HD3      ARG  61  -8.575   0.969   0.077
  489    HE   ARG  61           HE       ARG  61  -9.187   3.846  -0.423
  490   HH11  ARG  61          HH11      ARG  61  -8.154   1.308   1.800
  491   HH12  ARG  61          HH12      ARG  61  -8.587   2.224   3.228
  492   HH21  ARG  61          HH21      ARG  61  -9.699   5.038   1.481
  493   HH22  ARG  61          HH22      ARG  61  -9.416   4.310   3.055
  494    H    PHE  62           H        PHE  62  -4.926   0.710  -2.387
  495    HA   PHE  62           HA       PHE  62  -4.576   2.853  -4.451
  496    HB2  PHE  62           HB2      PHE  62  -3.758  -0.073  -4.569
  497    HB3  PHE  62           HB3      PHE  62  -3.717   1.041  -5.929
  498    HD1  PHE  62           HD2      PHE  62  -2.382   0.687  -2.425
  499    HD2  PHE  62           HD1      PHE  62  -1.751   2.190  -6.406
  500    HE1  PHE  62           HE2      PHE  62  -0.102   1.372  -1.796
  501    HE2  PHE  62           HE1      PHE  62   0.560   2.854  -5.782
  502    HZ   PHE  62           HZ       PHE  62   1.391   2.438  -3.502
  503    H    HIS  63           H        HIS  63  -5.671   2.371  -6.499
  504    HA   HIS  63           HA       HIS  63  -8.200   0.858  -6.089
  505    HB2  HIS  63           HB2      HIS  63  -7.853   3.625  -7.282
  506    HB3  HIS  63           HB3      HIS  63  -9.361   2.697  -7.287
  507    HD2  HIS  63           HD2      HIS  63  -6.994   4.537  -4.854
  508    HE1  HIS  63           HE1      HIS  63 -10.655   3.868  -2.793
  509    HE2  HIS  63           HE2      HIS  63  -8.395   5.012  -2.669
  510    H    ASP  64           H        ASP  64  -5.506   0.503  -7.780
  511    HA   ASP  64           HA       ASP  64  -7.078  -0.660  -9.996
  512    HB2  ASP  64           HB2      ASP  64  -6.202   1.516 -10.808
  513    HB3  ASP  64           HB3      ASP  64  -4.551   0.966 -10.443
  514    H    LYS  65           H        LYS  65  -6.341  -2.637 -10.633
  515    HA   LYS  65           HA       LYS  65  -4.876  -4.075  -8.683
  516    HB2  LYS  65           HB2      LYS  65  -5.155  -5.978 -10.155
  517    HB3  LYS  65           HB3      LYS  65  -6.656  -5.039 -10.074
  518    HG2  LYS  65           HG2      LYS  65  -6.090  -3.958 -12.236
  519    HG3  LYS  65           HG3      LYS  65  -4.590  -4.897 -12.325
  520    HD2  LYS  65           HD2      LYS  65  -6.275  -5.947 -13.710
  521    HD3  LYS  65           HD3      LYS  65  -5.890  -7.000 -12.337
  522    HE2  LYS  65           HE2      LYS  65  -7.894  -6.182 -11.139
  523    HE3  LYS  65           HE3      LYS  65  -8.265  -5.096 -12.491
  524    HZ1  LYS  65           HZ1      LYS  65  -9.538  -7.131 -12.595
  525    HZ2  LYS  65           HZ2      LYS  65  -8.527  -7.040 -13.884
  526    HZ3  LYS  65           HZ3      LYS  65  -8.168  -8.041 -12.626
  527    H    ARG  66           H        ARG  66  -3.740  -2.499 -11.670
  528    HA   ARG  66           HA       ARG  66  -1.405  -4.205 -11.836
  529    HB2  ARG  66           HB2      ARG  66  -0.827  -2.969 -13.725
  530    HB3  ARG  66           HB3      ARG  66  -2.592  -2.840 -13.695
  531    HG2  ARG  66           HG2      ARG  66  -2.193  -0.589 -12.427
  532    HG3  ARG  66           HG3      ARG  66  -0.510  -0.753 -12.965
  533    HD2  ARG  66           HD2      ARG  66  -1.563   0.558 -14.629
  534    HD3  ARG  66           HD3      ARG  66  -1.502  -1.072 -15.334
  535    HE   ARG  66           HE       ARG  66  -3.933  -0.617 -13.832
  536   HH11  ARG  66          HH11      ARG  66  -2.415  -0.006 -16.965
  537   HH12  ARG  66          HH12      ARG  66  -3.944   0.233 -17.783
  538   HH21  ARG  66          HH21      ARG  66  -5.870  -0.246 -14.879
  539   HH22  ARG  66          HH22      ARG  66  -5.915   0.053 -16.607
  540    H    ASP  67           H        ASP  67  -2.109  -0.975 -10.518
  541    HA   ASP  67           HA       ASP  67   0.609  -0.450  -9.658
  542    HB2  ASP  67           HB2      ASP  67  -2.062   0.695  -8.732
  543    HB3  ASP  67           HB3      ASP  67  -0.477   1.372  -8.361
  544    H    ALA  68           H        ALA  68  -2.235  -2.096  -8.356
  545    HA   ALA  68           HA       ALA  68  -1.314  -2.065  -5.620
  546    HB1  ALA  68           HB1      ALA  68  -3.453  -3.696  -7.051
  547    HB2  ALA  68           HB2      ALA  68  -3.239  -3.621  -5.296
  548    HB3  ALA  68           HB3      ALA  68  -3.701  -2.151  -6.204
  549    H    GLU  69           H        GLU  69  -1.205  -4.467  -8.328
  550    HA   GLU  69           HA       GLU  69  -0.230  -6.565  -6.608
  551    HB2  GLU  69           HB2      GLU  69  -0.195  -6.183  -9.621
  552    HB3  GLU  69           HB3      GLU  69   0.473  -7.614  -8.810
  553    HG2  GLU  69           HG2      GLU  69  -1.700  -8.061  -7.750
  554    HG3  GLU  69           HG3      GLU  69  -2.414  -6.669  -8.574
  555    H    ASP  70           H        ASP  70   1.368  -3.980  -8.533
  556    HA   ASP  70           HA       ASP  70   4.025  -5.065  -8.064
  557    HB2  ASP  70           HB2      ASP  70   2.981  -2.303  -8.799
  558    HB3  ASP  70           HB3      ASP  70   4.697  -2.679  -8.588
  559    H    ALA  71           H        ALA  71   1.869  -2.757  -6.378
  560    HA   ALA  71           HA       ALA  71   3.783  -1.700  -4.595
  561    HB1  ALA  71           HB1      ALA  71   1.824  -1.081  -3.223
  562    HB2  ALA  71           HB2      ALA  71   1.564  -0.711  -4.942
  563    HB3  ALA  71           HB3      ALA  71   0.803  -2.152  -4.219
  564    H    MET  72           H        MET  72   1.939  -4.780  -4.424
  565    HA   MET  72           HA       MET  72   3.012  -5.185  -1.693
  566    HB2  MET  72           HB2      MET  72   1.675  -7.205  -1.649
  567    HB3  MET  72           HB3      MET  72   0.670  -5.870  -2.248
  568    HG2  MET  72           HG2      MET  72   1.174  -6.571  -4.555
  569    HG3  MET  72           HG3      MET  72   2.069  -7.973  -3.931
  570    HE1  MET  72           HE1      MET  72  -0.918  -9.772  -5.495
  571    HE2  MET  72           HE2      MET  72   0.099  -8.443  -6.090
  572    HE3  MET  72           HE3      MET  72   0.832  -9.800  -5.203
  573    H    ASP  73           H        ASP  73   3.638  -6.182  -5.043
  574    HA   ASP  73           HA       ASP  73   5.313  -8.413  -4.398
  575    HB2  ASP  73           HB2      ASP  73   4.260  -8.046  -6.594
  576    HB3  ASP  73           HB3      ASP  73   5.266  -6.608  -6.848
  577    H    ALA  74           H        ALA  74   5.767  -5.072  -3.867
  578    HA   ALA  74           HA       ALA  74   8.714  -5.504  -3.633
  579    HB1  ALA  74           HB1      ALA  74   8.266  -4.244  -5.652
  580    HB2  ALA  74           HB2      ALA  74   7.183  -3.166  -4.740
  581    HB3  ALA  74           HB3      ALA  74   8.945  -3.141  -4.422
  582    H    MET  75           H        MET  75   5.839  -4.528  -2.012
  583    HA   MET  75           HA       MET  75   7.554  -3.332   0.147
  584    HB2  MET  75           HB2      MET  75   4.643  -2.862  -0.505
  585    HB3  MET  75           HB3      MET  75   5.402  -2.307   0.972
  586    HG2  MET  75           HG2      MET  75   6.634  -1.482  -1.657
  587    HG3  MET  75           HG3      MET  75   5.146  -0.722  -1.105
  588    HE1  MET  75           HE1      MET  75   5.758   1.599  -0.870
  589    HE2  MET  75           HE2      MET  75   7.189   2.249  -0.050
  590    HE3  MET  75           HE3      MET  75   7.379   1.328  -1.556
  591    H    ASP  76           H        ASP  76   5.109  -5.893  -0.596
  592    HA   ASP  76           HA       ASP  76   4.545  -6.328   2.188
  593    HB2  ASP  76           HB2      ASP  76   3.078  -7.112   0.327
  594    HB3  ASP  76           HB3      ASP  76   4.333  -8.291  -0.122
  595    H    GLY  77           H        GLY  77   5.775  -7.237   3.690
  596    HA2  GLY  77           HA2      GLY  77   7.245  -8.742   4.676
  597    HA3  GLY  77           HA3      GLY  77   7.616  -9.422   3.072
  598    H    ALA  78           H        ALA  78   7.925  -6.111   2.742
  599    HA   ALA  78           HA       ALA  78  10.808  -6.213   2.662
  600    HB1  ALA  78           HB1      ALA  78   9.446  -4.874   1.118
  601    HB2  ALA  78           HB2      ALA  78   8.861  -3.879   2.471
  602    HB3  ALA  78           HB3      ALA  78  10.577  -3.842   2.025
  603    H    VAL  79           H        VAL  79  11.818  -3.985   3.662
  604    HA   VAL  79           HA       VAL  79  11.119  -3.855   6.556
  605    HB   VAL  79           HB       VAL  79  13.881  -4.280   5.337
  606   HG11  VAL  79          HG11      VAL  79  13.105  -3.836   8.242
  607   HG12  VAL  79          HG12      VAL  79  14.714  -4.305   7.649
  608   HG13  VAL  79          HG13      VAL  79  14.046  -2.728   7.211
  609   HG21  VAL  79          HG21      VAL  79  13.870  -6.352   6.711
  610   HG22  VAL  79          HG22      VAL  79  12.183  -6.025   7.181
  611   HG23  VAL  79          HG23      VAL  79  12.592  -6.364   5.487
  612    H    LEU  80           H        LEU  80  11.457  -1.849   7.482
  613    HA   LEU  80           HA       LEU  80  12.056   0.353   5.559
  614    HB2  LEU  80           HB2      LEU  80   9.783   0.052   6.736
  615    HB3  LEU  80           HB3      LEU  80  10.594   0.491   8.220
  616    HG   LEU  80           HG       LEU  80   9.412   2.378   7.304
  617   HD11  LEU  80          HD11      LEU  80  12.347   2.912   6.751
  618   HD12  LEU  80          HD12      LEU  80  11.100   4.072   7.240
  619   HD13  LEU  80          HD13      LEU  80  11.635   2.829   8.391
  620   HD21  LEU  80          HD21      LEU  80   9.417   1.678   4.926
  621   HD22  LEU  80          HD22      LEU  80   9.936   3.360   5.118
  622   HD23  LEU  80          HD23      LEU  80  11.143   2.090   4.809
  623    H    ASP  81           H        ASP  81  12.417  -0.540   9.029
  624    HA   ASP  81           HA       ASP  81  15.085   0.779   9.024
  625    HB2  ASP  81           HB2      ASP  81  13.339   2.350   9.871
  626    HB3  ASP  81           HB3      ASP  81  12.932   1.175  11.132
  627    H    GLY  82           H        GLY  82  13.264  -1.979   9.683
  628    HA2  GLY  82           HA2      GLY  82  15.155  -3.680  10.395
  629    HA3  GLY  82           HA3      GLY  82  14.912  -2.873  11.965
  630    H    ARG  83           H        ARG  83  11.925  -2.615  10.796
  631    HA   ARG  83           HA       ARG  83  11.050  -5.289  11.799
  632    HB2  ARG  83           HB2      ARG  83   8.918  -4.264  12.248
  633    HB3  ARG  83           HB3      ARG  83  10.200  -3.338  13.034
  634    HG2  ARG  83           HG2      ARG  83  10.127  -1.653  11.240
  635    HG3  ARG  83           HG3      ARG  83   8.906  -2.605  10.372
  636    HD2  ARG  83           HD2      ARG  83   7.867  -0.762  11.654
  637    HD3  ARG  83           HD3      ARG  83   7.323  -2.352  12.206
  638    HE   ARG  83           HE       ARG  83   9.604  -1.478  13.731
  639   HH11  ARG  83          HH11      ARG  83   6.131  -0.882  13.372
  640   HH12  ARG  83          HH12      ARG  83   5.915  -0.453  15.046
  641   HH21  ARG  83          HH21      ARG  83   9.303  -0.845  15.897
  642   HH22  ARG  83          HH22      ARG  83   7.711  -0.388  16.459
  643    H    GLU  84           H        GLU  84   8.477  -5.152  10.661
  644    HA   GLU  84           HA       GLU  84   9.219  -5.961   7.878
  645    HB2  GLU  84           HB2      GLU  84   7.053  -6.870   9.809
  646    HB3  GLU  84           HB3      GLU  84   7.072  -7.316   8.091
  647    HG2  GLU  84           HG2      GLU  84   9.341  -8.298   8.408
  648    HG3  GLU  84           HG3      GLU  84   9.254  -7.874  10.136
  649    H    LEU  85           H        LEU  85   7.385  -5.757   6.315
  650    HA   LEU  85           HA       LEU  85   5.571  -3.472   6.868
  651    HB2  LEU  85           HB2      LEU  85   7.316  -3.909   4.408
  652    HB3  LEU  85           HB3      LEU  85   6.015  -2.705   4.517
  653    HG   LEU  85           HG       LEU  85   8.536  -2.796   6.226
  654   HD11  LEU  85          HD11      LEU  85   8.896  -2.149   3.873
  655   HD12  LEU  85          HD12      LEU  85   7.624  -0.911   4.011
  656   HD13  LEU  85          HD13      LEU  85   9.126  -0.765   4.955
  657   HD21  LEU  85          HD21      LEU  85   6.683  -1.839   7.521
  658   HD22  LEU  85          HD22      LEU  85   7.793  -0.561   7.033
  659   HD23  LEU  85          HD23      LEU  85   6.253  -0.765   6.167
  660    H    ARG  86           H        ARG  86   3.621  -3.575   5.581
  661    HA   ARG  86           HA       ARG  86   3.066  -6.283   4.488
  662    HB2  ARG  86           HB2      ARG  86   1.775  -4.880   6.850
  663    HB3  ARG  86           HB3      ARG  86   0.908  -6.139   5.973
  664    HG2  ARG  86           HG2      ARG  86   3.653  -6.461   7.286
  665    HG3  ARG  86           HG3      ARG  86   2.124  -6.977   8.013
  666    HD2  ARG  86           HD2      ARG  86   1.800  -8.704   6.437
  667    HD3  ARG  86           HD3      ARG  86   2.898  -7.972   5.263
  668    HE   ARG  86           HE       ARG  86   4.087  -8.903   7.801
  669   HH11  ARG  86          HH11      ARG  86   3.537  -9.419   4.340
  670   HH12  ARG  86          HH12      ARG  86   4.807 -10.605   4.197
  671   HH21  ARG  86          HH21      ARG  86   5.830 -10.352   7.549
  672   HH22  ARG  86          HH22      ARG  86   6.099 -11.140   6.017
  673    H    VAL  87           H        VAL  87   1.692  -6.358   2.888
  674    HA   VAL  87           HA       VAL  87  -0.051  -4.068   2.244
  675    HB   VAL  87           HB       VAL  87   2.092  -5.097   0.337
  676   HG11  VAL  87          HG11      VAL  87  -0.029  -2.925   0.080
  677   HG12  VAL  87          HG12      VAL  87   1.253  -3.261  -1.110
  678   HG13  VAL  87          HG13      VAL  87   0.005  -4.477  -0.777
  679   HG21  VAL  87          HG21      VAL  87   3.202  -3.669   1.906
  680   HG22  VAL  87          HG22      VAL  87   2.849  -2.666   0.477
  681   HG23  VAL  87          HG23      VAL  87   1.831  -2.525   1.922
  682    H    GLN  88           H        GLN  88  -1.979  -5.018   1.770
  683    HA   GLN  88           HA       GLN  88  -2.150  -7.193  -0.128
  684    HB2  GLN  88           HB2      GLN  88  -3.245  -8.800   1.343
  685    HB3  GLN  88           HB3      GLN  88  -1.593  -8.507   1.888
  686    HG2  GLN  88           HG2      GLN  88  -4.055  -7.156   3.085
  687    HG3  GLN  88           HG3      GLN  88  -3.332  -8.633   3.723
  688   HE21  GLN  88          HE22      GLN  88  -3.497  -5.428   4.302
  689   HE22  GLN  88          HE21      GLN  88  -1.929  -5.173   5.060
  690    H    MET  89           H        MET  89  -4.505  -7.814  -0.473
  691    HA   MET  89           HA       MET  89  -5.994  -5.432  -0.862
  692    HB2  MET  89           HB2      MET  89  -6.707  -8.374  -1.104
  693    HB3  MET  89           HB3      MET  89  -7.805  -7.056  -1.544
  694    HG2  MET  89           HG2      MET  89  -6.671  -7.746  -3.545
  695    HG3  MET  89           HG3      MET  89  -6.099  -6.144  -3.084
  696    HE1  MET  89           HE1      MET  89  -4.499  -7.561  -5.290
  697    HE2  MET  89           HE2      MET  89  -4.090  -6.016  -4.502
  698    HE3  MET  89           HE3      MET  89  -2.846  -7.272  -4.685
  699    H    ALA  90           H        ALA  90  -7.859  -4.624   0.086
  700    HA   ALA  90           HA       ALA  90  -8.191  -5.142   2.909
  701    HB1  ALA  90           HB1      ALA  90  -9.814  -3.426   0.986
  702    HB2  ALA  90           HB2      ALA  90  -9.857  -3.341   2.757
  703    HB3  ALA  90           HB3      ALA  90  -8.380  -2.884   1.890
  704    H    ARG  91           H        ARG  91 -10.703  -5.089   3.591
  705    HA   ARG  91           HA       ARG  91 -12.210  -7.150   2.065
  706    HB2  ARG  91           HB2      ARG  91 -12.710  -8.354   4.085
  707    HB3  ARG  91           HB3      ARG  91 -10.933  -8.259   3.888
  708    HG2  ARG  91           HG2      ARG  91 -10.965  -6.286   5.478
  709    HG3  ARG  91           HG3      ARG  91 -12.696  -6.590   5.733
  710    HD2  ARG  91           HD2      ARG  91 -10.458  -8.576   6.298
  711    HD3  ARG  91           HD3      ARG  91 -11.245  -7.552   7.510
  712    HE   ARG  91           HE       ARG  91 -13.329  -8.905   6.254
  713   HH11  ARG  91          HH11      ARG  91 -10.417  -9.818   8.044
  714   HH12  ARG  91          HH12      ARG  91 -11.122 -11.301   8.651
  715   HH21  ARG  91          HH21      ARG  91 -14.214 -10.836   7.065
  716   HH22  ARG  91          HH22      ARG  91 -13.259 -11.873   8.099
  717    H    TYR  92           H        TYR  92 -12.111  -4.217   3.674
  718    HA   TYR  92           HA       TYR  92 -15.087  -4.023   3.625
  719    HB2  TYR  92           HB2      TYR  92 -13.256  -2.789   5.716
  720    HB3  TYR  92           HB3      TYR  92 -15.008  -2.626   5.642
  721    HD1  TYR  92           HD2      TYR  92 -16.065  -5.285   5.322
  722    HD2  TYR  92           HD1      TYR  92 -12.639  -3.988   7.576
  723    HE1  TYR  92           HE2      TYR  92 -16.305  -7.250   6.813
  724    HE2  TYR  92           HE1      TYR  92 -12.867  -5.935   9.074
  725    HH   TYR  92           HH       TYR  92 -14.060  -7.843   9.551
  726    H    GLY  93           H        GLY  93 -15.626  -1.505   3.885
  727    HA2  GLY  93           HA2      GLY  93 -13.685   0.056   2.222
  728    HA3  GLY  93           HA3      GLY  93 -15.450   0.198   2.083
  729    H    ARG  94           H        ARG  94 -15.933  -0.016   4.989
  730    HA   ARG  94           HA       ARG  94 -14.486   2.120   6.304
  731    HB2  ARG  94           HB2      ARG  94 -17.449   2.371   5.626
  732    HB3  ARG  94           HB3      ARG  94 -16.603   3.341   6.845
  733    HG2  ARG  94           HG2      ARG  94 -15.019   4.096   5.022
  734    HG3  ARG  94           HG3      ARG  94 -16.104   3.307   3.846
  735    HD2  ARG  94           HD2      ARG  94 -16.864   5.523   5.788
  736    HD3  ARG  94           HD3      ARG  94 -16.578   5.722   4.057
  737    HE   ARG  94           HE       ARG  94 -18.564   4.450   3.574
  738   HH11  ARG  94          HH11      ARG  94 -18.155   5.215   7.009
  739   HH12  ARG  94          HH12      ARG  94 -19.839   4.928   7.384
  740   HH21  ARG  94          HH21      ARG  94 -20.744   4.106   4.104
  741   HH22  ARG  94          HH22      ARG  94 -21.296   4.312   5.749
  742    HA   PRO  95           HA       PRO  95 -15.383  -0.481   9.820
  743    HB2  PRO  95           HB2      PRO  95 -15.795   2.226  11.078
  744    HB3  PRO  95           HB3      PRO  95 -14.847   0.839  11.703
  745    HG2  PRO  95           HG2      PRO  95 -13.637   2.977  10.499
  746    HG3  PRO  95           HG3      PRO  95 -13.047   1.299  10.203
  747    HD2  PRO  95           HD2      PRO  95 -14.572   3.053   8.376
  748    HD3  PRO  95           HD3      PRO  95 -13.432   1.730   8.040
  749    HA   PRO  96           HA       PRO  96 -19.867  -0.342   9.891
  750    HB2  PRO  96           HB2      PRO  96 -20.371  -2.208  11.813
  751    HB3  PRO  96           HB3      PRO  96 -19.678  -2.653  10.212
  752    HG2  PRO  96           HG2      PRO  96 -18.220  -2.198  12.824
  753    HG3  PRO  96           HG3      PRO  96 -18.042  -3.575  11.684
  754    HD2  PRO  96           HD2      PRO  96 -16.344  -1.415  11.669
  755    HD3  PRO  96           HD3      PRO  96 -16.803  -2.282  10.168
  756    H    ASP  97           H        ASP  97 -17.825   0.149  12.734
  757    HA   ASP  97           HA       ASP  97 -19.421   2.367  13.673
  758    HB2  ASP  97           HB2      ASP  97 -20.721   0.464  14.604
  759    HB3  ASP  97           HB3      ASP  97 -19.252  -0.161  15.370
  760    H    SER  98           H        SER  98 -17.934   3.788  14.501
  761    HA   SER  98           HA       SER  98 -15.751   2.871  16.192
  762    HB2  SER  98           HB2      SER  98 -13.940   3.725  14.738
  763    HB3  SER  98           HB3      SER  98 -14.782   2.346  13.998
  764    HG   SER  98           HG       SER  98 -14.480   4.107  12.535
  765    H    HIS  99           H        HIS  99 -17.642   5.384  14.650
  766    HA   HIS  99           HA       HIS  99 -16.686   7.304  16.678
  767    HB2  HIS  99           HB2      HIS  99 -16.133   8.986  15.104
  768    HB3  HIS  99           HB3      HIS  99 -15.353   7.524  14.496
  769    HD2  HIS  99           HD2      HIS  99 -16.979  10.356  13.107
  770    HE1  HIS  99           HE1      HIS  99 -18.548   7.244  10.674
  771    HE2  HIS  99           HE2      HIS  99 -18.216   9.767  10.876
  772    H    HIS 100           H        HIS 100 -18.191   9.244  16.784
  773    HA   HIS 100           HA       HIS 100 -20.916   8.627  15.804
  774    HB2  HIS 100           HB2      HIS 100 -20.225   8.901  18.755
  775    HB3  HIS 100           HB3      HIS 100 -21.841   8.675  18.074
  776    HD2  HIS 100           HD2      HIS 100 -22.189   6.227  16.684
  777    HE1  HIS 100           HE1      HIS 100 -19.249   4.182  18.981
  778    HE2  HIS 100           HE2      HIS 100 -21.181   3.896  17.358
  779    H    SER 101           H        SER 101 -18.608  10.911  16.009
  780    HA   SER 101           HA       SER 101 -20.585  13.086  15.976
  781    HB2  SER 101           HB2      SER 101 -19.981  12.872  18.372
  782    HB3  SER 101           HB3      SER 101 -18.267  13.086  17.952
  783    HG   SER 101           HG       SER 101 -19.266  15.059  18.559
  784    H5'    U 102           H5'        U 102  -8.372  -4.338  13.661
  785   H5''    U 102          H5''        U 102  -7.736  -3.879  15.260
  786    H4'    U 102           H4'        U 102  -7.056  -2.361  12.700
  787    H3'    U 102           H3'        U 102  -6.201  -4.984  13.294
  788    H2'    U 102           H2'        U 102  -5.106  -4.281  15.311
  789   HO2'    U 102          HO2'        U 102  -3.276  -4.010  13.147
  790    H1'    U 102           H1'        U 102  -4.338  -1.864  13.629
  791    H3     U 102           H3         U 102  -4.360  -1.168  18.893
  792    H5     U 102           H5         U 102  -0.982  -0.730  16.437
  793    H6     U 102           H6         U 102  -2.319  -1.586  14.574
  794   HO5'    U 102          HO5'        U 102  -8.713  -1.822  14.936
  795    H5'    C 103           H5'        C 103  -6.274  -1.907   9.179
  796   H5''    C 103          H5''        C 103  -6.611  -1.395  10.842
  797    H4'    C 103           H4'        C 103  -8.283  -0.332   9.635
  798    H3'    C 103           H3'        C 103  -9.210  -2.226  11.372
  799    H2'    C 103           H2'        C 103  -9.299  -4.038   9.853
  800   HO2'    C 103          HO2'        C 103 -11.762  -2.654   9.686
  801    H1'    C 103           H1'        C 103 -10.462  -2.339   7.665
  802    H41    C 103           H41        C 103  -7.939  -6.776   3.855
  803    H42    C 103           H42        C 103  -7.029  -7.467   5.181
  804    H5     C 103           H5         C 103  -7.025  -6.516   7.432
  805    H6     C 103           H6         C 103  -7.905  -4.782   8.824
  806    H5'    C 104           H5'        C 104  -9.922   3.018  11.587
  807   H5''    C 104          H5''        C 104 -11.668   2.957  11.344
  808    H4'    C 104           H4'        C 104 -10.232   4.870  10.239
  809    H3'    C 104           H3'        C 104 -12.369   3.328   8.766
  810    H2'    C 104           H2'        C 104 -11.989   4.656   6.902
  811   HO2'    C 104          HO2'        C 104 -11.815   6.727   7.904
  812    H1'    C 104           H1'        C 104  -9.269   4.736   7.148
  813    H41    C 104           H41        C 104 -11.054   0.378   2.850
  814    H42    C 104           H42        C 104 -11.851  -0.605   4.060
  815    H5     C 104           H5         C 104 -11.972   0.068   6.437
  816    H6     C 104           H6         C 104 -11.346   1.811   8.020
  817    H5'    A 105           H5'        A 105 -15.874   7.481   9.928
  818   H5''    A 105          H5''        A 105 -15.109   8.916   9.247
  819    H4'    A 105           H4'        A 105 -14.815   8.961  11.628
  820    H3'    A 105           H3'        A 105 -12.517   8.892   9.815
  821    H2'    A 105           H2'        A 105 -11.552   7.159  11.012
  822   HO2'    A 105          HO2'        A 105 -11.166   9.483  12.579
  823    H1'    A 105           H1'        A 105 -13.217   8.111  13.399
  824    H8     A 105           H8         A 105 -11.641   4.990  11.797
  825    H61    A 105           H61        A 105 -10.636   3.191  17.667
  826    H62    A 105           H62        A 105 -10.386   2.760  15.987
  827    H2     A 105           H2         A 105 -12.784   7.059  17.739
  828    H5'    G 106           H5'        G 106 -10.445  11.572   9.887
  829   H5''    G 106          H5''        G 106 -11.246  13.056  10.419
  830    H4'    G 106           H4'        G 106 -10.006  13.838   8.659
  831    H3'    G 106           H3'        G 106 -12.755  13.814   8.374
  832    H2'    G 106           H2'        G 106 -13.051  12.129   6.886
  833   HO2'    G 106          HO2'        G 106 -13.368  14.084   5.607
  834    H1'    G 106           H1'        G 106 -10.505  12.356   5.392
  835    H8     G 106           H8         G 106 -12.689  10.200   7.776
  836    H1     G 106           H1         G 106  -9.826   7.066   2.950
  837    H21    G 106           H21        G 106  -8.575   8.448   1.803
  838    H22    G 106           H22        G 106  -8.400  10.136   2.245
  839    H5'    U 107           H5'        U 107 -11.587  15.488   4.562
  840   H5''    U 107          H5''        U 107 -11.235  17.098   3.912
  841    H4'    U 107           H4'        U 107 -14.119  16.381   4.482
  842    H3'    U 107           H3'        U 107 -12.879  14.526   3.026
  843   HO3'    U 107          HO3'        U 107 -15.158  14.841   2.983
  844    H2'    U 107           H2'        U 107 -11.455  16.046   1.876
  845   HO2'    U 107          HO2'        U 107 -13.717  15.627   0.197
  846    H1'    U 107           H1'        U 107 -13.734  17.786   1.028
  847    H3     U 107           H3         U 107 -10.440  21.350   2.318
  848    H5     U 107           H5         U 107  -9.117  18.615  -0.577
  849    H6     U 107           H6         U 107 -11.030  17.230  -0.067
  Start of MODEL   11
    1    H    MET   1           H1       MET   1  -3.692  21.495   7.111
    2    HA   MET   1           HA       MET   1  -4.853  19.433   7.332
    3    HB2  MET   1           HB2      MET   1  -6.883  20.787   5.512
    4    HB3  MET   1           HB3      MET   1  -6.876  19.060   5.932
    5    HG2  MET   1           HG2      MET   1  -7.194  21.371   7.880
    6    HG3  MET   1           HG3      MET   1  -8.468  20.290   7.324
    7    HE1  MET   1           HE1      MET   1  -7.909  20.937  10.373
    8    HE2  MET   1           HE2      MET   1  -9.197  19.853   9.799
    9    HE3  MET   1           HE3      MET   1  -8.089  19.322  11.091
   10    H    SER   2           H        SER   2  -4.521  17.737   5.812
   11    HA   SER   2           HA       SER   2  -3.457  18.514   3.161
   12    HB2  SER   2           HB2      SER   2  -1.908  16.851   5.194
   13    HB3  SER   2           HB3      SER   2  -1.417  17.180   3.526
   14    HG   SER   2           HG       SER   2  -0.446  18.602   5.031
   15    H    TYR   3           H        TYR   3  -5.674  16.769   4.723
   16    HA   TYR   3           HA       TYR   3  -5.617  14.577   2.730
   17    HB2  TYR   3           HB2      TYR   3  -6.029  14.108   5.708
   18    HB3  TYR   3           HB3      TYR   3  -6.113  12.907   4.422
   19    HD1  TYR   3           HD1      TYR   3  -3.818  15.099   6.328
   20    HD2  TYR   3           HD2      TYR   3  -4.181  11.922   3.459
   21    HE1  TYR   3           HE1      TYR   3  -1.361  14.736   6.428
   22    HE2  TYR   3           HE2      TYR   3  -1.734  11.518   3.575
   23    HH   TYR   3           HH       TYR   3   0.411  13.576   5.604
   24    H    GLY   4           H        GLY   4  -7.765  13.261   3.043
   25    HA2  GLY   4           HA2      GLY   4 -10.031  14.679   4.102
   26    HA3  GLY   4           HA3      GLY   4  -9.909  14.866   2.338
   27    H    ARG   5           H        ARG   5 -12.109  13.647   3.373
   28    HA   ARG   5           HA       ARG   5 -12.068  10.882   3.660
   29    HB2  ARG   5           HB2      ARG   5 -14.469  11.063   2.887
   30    HB3  ARG   5           HB3      ARG   5 -14.002  12.149   4.202
   31    HG2  ARG   5           HG2      ARG   5 -13.656  13.980   2.465
   32    HG3  ARG   5           HG3      ARG   5 -14.384  12.871   1.271
   33    HD2  ARG   5           HD2      ARG   5 -16.362  12.689   2.880
   34    HD3  ARG   5           HD3      ARG   5 -15.602  14.008   3.805
   35    HE   ARG   5           HE       ARG   5 -15.827  14.761   1.057
   36   HH11  ARG   5          HH11      ARG   5 -17.843  14.224   3.919
   37   HH12  ARG   5          HH12      ARG   5 -19.083  15.340   3.391
   38   HH21  ARG   5          HH21      ARG   5 -17.462  16.205   0.406
   39   HH22  ARG   5          HH22      ARG   5 -18.871  16.460   1.407
   40    HA   PRO   6           HA       PRO   6 -10.896   9.263  -0.185
   41    HB2  PRO   6           HB2      PRO   6 -12.076   6.793  -0.085
   42    HB3  PRO   6           HB3      PRO   6 -10.731   7.279   0.995
   43    HG2  PRO   6           HG2      PRO   6 -13.704   7.322   1.582
   44    HG3  PRO   6           HG3      PRO   6 -12.381   6.641   2.588
   45    HD2  PRO   6           HD2      PRO   6 -13.392   9.151   3.033
   46    HD3  PRO   6           HD3      PRO   6 -11.654   8.831   3.233
   47    HA   PRO   7           HA       PRO   7 -13.790   9.819  -3.452
   48    HB2  PRO   7           HB2      PRO   7 -13.021   7.061  -4.403
   49    HB3  PRO   7           HB3      PRO   7 -13.118   8.587  -5.336
   50    HG2  PRO   7           HG2      PRO   7 -10.714   7.650  -4.528
   51    HG3  PRO   7           HG3      PRO   7 -11.095   9.393  -4.372
   52    HD2  PRO   7           HD2      PRO   7 -11.177   7.266  -2.234
   53    HD3  PRO   7           HD3      PRO   7 -10.534   8.941  -2.155
   54    HA   PRO   8           HA       PRO   8 -17.475   7.594  -2.340
   55    HB2  PRO   8           HB2      PRO   8 -19.178   8.349  -4.308
   56    HB3  PRO   8           HB3      PRO   8 -18.467   9.558  -3.188
   57    HG2  PRO   8           HG2      PRO   8 -17.487   8.792  -5.959
   58    HG3  PRO   8           HG3      PRO   8 -17.827  10.447  -5.326
   59    HD2  PRO   8           HD2      PRO   8 -15.312   9.347  -5.322
   60    HD3  PRO   8           HD3      PRO   8 -15.871  10.430  -4.012
   61    H    ASP   9           H        ASP   9 -15.392   6.332  -4.450
   62    HA   ASP   9           HA       ASP   9 -17.267   4.235  -5.365
   63    HB2  ASP   9           HB2      ASP   9 -16.924   5.988  -7.142
   64    HB3  ASP   9           HB3      ASP   9 -15.213   5.547  -7.185
   65    H    VAL  10           H        VAL  10 -14.984   4.573  -3.302
   66    HA   VAL  10           HA       VAL  10 -12.872   2.824  -4.162
   67    HB   VAL  10           HB       VAL  10 -12.315   2.695  -1.754
   68   HG11  VAL  10          HG11      VAL  10 -13.015   5.507  -2.677
   69   HG12  VAL  10          HG12      VAL  10 -11.820   5.056  -1.437
   70   HG13  VAL  10          HG13      VAL  10 -11.558   4.594  -3.131
   71   HG21  VAL  10          HG21      VAL  10 -13.629   3.937  -0.102
   72   HG22  VAL  10          HG22      VAL  10 -14.832   4.362  -1.337
   73   HG23  VAL  10          HG23      VAL  10 -14.617   2.665  -0.846
   74    H    GLU  11           H        GLU  11 -15.964   1.998  -4.130
   75    HA   GLU  11           HA       GLU  11 -15.456  -0.741  -3.072
   76    HB2  GLU  11           HB2      GLU  11 -18.094   0.774  -3.166
   77    HB3  GLU  11           HB3      GLU  11 -17.840  -0.870  -2.544
   78    HG2  GLU  11           HG2      GLU  11 -16.244   0.060  -0.863
   79    HG3  GLU  11           HG3      GLU  11 -16.616   1.689  -1.448
   80    H    GLY  12           H        GLY  12 -15.381   0.905  -5.774
   81    HA2  GLY  12           HA2      GLY  12 -16.596  -1.247  -7.431
   82    HA3  GLY  12           HA3      GLY  12 -16.806   0.474  -7.832
   83    H    MET  13           H        MET  13 -13.800  -0.189  -6.359
   84    HA   MET  13           HA       MET  13 -12.327  -0.706  -8.875
   85    HB2  MET  13           HB2      MET  13 -11.788   1.645  -7.010
   86    HB3  MET  13           HB3      MET  13 -10.782   1.149  -8.382
   87    HG2  MET  13           HG2      MET  13 -12.735   1.500  -9.897
   88    HG3  MET  13           HG3      MET  13 -13.651   2.136  -8.523
   89    HE1  MET  13           HE1      MET  13 -11.477   3.818  -6.920
   90    HE2  MET  13           HE2      MET  13 -11.745   5.423  -7.630
   91    HE3  MET  13           HE3      MET  13 -13.136   4.369  -7.268
   92    H    THR  14           H        THR  14  -9.821  -0.781  -8.111
   93    HA   THR  14           HA       THR  14  -9.590  -2.988  -6.367
   94    HB   THR  14           HB       THR  14  -7.371  -0.995  -6.920
   95   HG21  THR  14          HG21      THR  14  -6.753  -2.878  -5.464
   96   HG22  THR  14          HG22      THR  14  -7.444  -4.032  -6.627
   97   HG23  THR  14          HG23      THR  14  -6.012  -3.074  -7.064
   98    H    SER  15           H        SER  15  -8.275  -3.011  -4.278
   99    HA   SER  15           HA       SER  15  -8.743  -0.652  -2.582
  100    HB2  SER  15           HB2      SER  15 -10.131  -1.989  -1.003
  101    HB3  SER  15           HB3      SER  15 -10.918  -1.752  -2.581
  102    HG   SER  15           HG       SER  15 -11.043  -3.924  -1.851
  103    H    LEU  16           H        LEU  16  -6.243  -1.650  -3.258
  104    HA   LEU  16           HA       LEU  16  -5.292  -3.645  -1.418
  105    HB2  LEU  16           HB2      LEU  16  -4.147  -2.741  -3.550
  106    HB3  LEU  16           HB3      LEU  16  -3.758  -1.290  -2.607
  107    HG   LEU  16           HG       LEU  16  -2.547  -2.792  -0.942
  108   HD11  LEU  16          HD11      LEU  16  -3.665  -4.936  -1.637
  109   HD12  LEU  16          HD12      LEU  16  -2.827  -4.817  -3.201
  110   HD13  LEU  16          HD13      LEU  16  -1.892  -5.021  -1.703
  111   HD21  LEU  16          HD21      LEU  16  -1.308  -1.503  -2.599
  112   HD22  LEU  16          HD22      LEU  16  -0.585  -3.121  -2.473
  113   HD23  LEU  16          HD23      LEU  16  -1.642  -2.734  -3.844
  114    H    LYS  17           H        LYS  17  -4.221  -3.307   0.675
  115    HA   LYS  17           HA       LYS  17  -4.112  -0.480   1.447
  116    HB2  LYS  17           HB2      LYS  17  -4.956  -0.769   3.570
  117    HB3  LYS  17           HB3      LYS  17  -6.081  -1.693   2.544
  118    HG2  LYS  17           HG2      LYS  17  -5.159  -3.789   3.361
  119    HG3  LYS  17           HG3      LYS  17  -3.773  -2.939   4.097
  120    HD2  LYS  17           HD2      LYS  17  -5.387  -1.696   5.574
  121    HD3  LYS  17           HD3      LYS  17  -6.696  -2.688   4.909
  122    HE2  LYS  17           HE2      LYS  17  -5.916  -3.565   7.053
  123    HE3  LYS  17           HE3      LYS  17  -5.597  -4.727   5.752
  124    HZ1  LYS  17           HZ1      LYS  17  -3.341  -4.111   5.751
  125    HZ2  LYS  17           HZ2      LYS  17  -3.596  -2.840   6.781
  126    HZ3  LYS  17           HZ3      LYS  17  -3.763  -4.370   7.322
  127    H    VAL  18           H        VAL  18  -2.663  -0.168   3.471
  128    HA   VAL  18           HA       VAL  18  -0.329  -2.015   3.438
  129    HB   VAL  18           HB       VAL  18  -0.330   1.001   3.077
  130   HG11  VAL  18          HG11      VAL  18   2.026  -0.903   3.156
  131   HG12  VAL  18          HG12      VAL  18   2.069   0.870   2.927
  132   HG13  VAL  18          HG13      VAL  18   1.538   0.207   4.472
  133   HG21  VAL  18          HG21      VAL  18  -0.898  -0.167   0.978
  134   HG22  VAL  18          HG22      VAL  18   0.702   0.590   0.891
  135   HG23  VAL  18          HG23      VAL  18   0.561  -1.172   1.139
  136    H    ASP  19           H        ASP  19   0.767  -2.085   5.386
  137    HA   ASP  19           HA       ASP  19  -0.015  -0.355   7.638
  138    HB2  ASP  19           HB2      ASP  19  -0.823  -2.226   8.979
  139    HB3  ASP  19           HB3      ASP  19  -1.804  -2.055   7.516
  140    H    ASN  20           H        ASN  20   0.964  -1.558   9.741
  141    HA   ASN  20           HA       ASN  20   2.734  -2.156  10.932
  142    HB2  ASN  20           HB2      ASN  20   2.465  -4.187   9.294
  143    HB3  ASN  20           HB3      ASN  20   4.008  -3.617   8.635
  144   HD21  ASN  20          HD22      ASN  20   5.883  -3.585  10.081
  145   HD22  ASN  20          HD21      ASN  20   5.895  -4.576  11.529
  146    H    LEU  21           H        LEU  21   2.895   0.419   9.695
  147    HA   LEU  21           HA       LEU  21   5.499   0.917   8.653
  148    HB2  LEU  21           HB2      LEU  21   4.992   3.281   9.263
  149    HB3  LEU  21           HB3      LEU  21   3.808   2.499   8.217
  150    HG   LEU  21           HG       LEU  21   2.205   2.336   9.943
  151   HD11  LEU  21          HD11      LEU  21   4.336   3.309  11.889
  152   HD12  LEU  21          HD12      LEU  21   2.604   3.194  12.254
  153   HD13  LEU  21          HD13      LEU  21   3.526   1.721  11.898
  154   HD21  LEU  21          HD21      LEU  21   2.502   4.568   8.886
  155   HD22  LEU  21          HD22      LEU  21   1.859   4.670  10.541
  156   HD23  LEU  21          HD23      LEU  21   3.567   5.042  10.228
  157    H    THR  22           H        THR  22   6.854   2.742   9.894
  158    HA   THR  22           HA       THR  22   7.756   1.460  12.413
  159    HB   THR  22           HB       THR  22   9.816   2.623  12.074
  160   HG21  THR  22          HG21      THR  22   8.825   1.805   9.310
  161   HG22  THR  22          HG22      THR  22  10.517   1.939   9.841
  162   HG23  THR  22          HG23      THR  22   9.475   0.691  10.542
  163    H    TYR  23           H        TYR  23   8.516   2.928  14.169
  164    HA   TYR  23           HA       TYR  23   6.453   4.773  14.913
  165    HB2  TYR  23           HB2      TYR  23   7.576   4.959  16.942
  166    HB3  TYR  23           HB3      TYR  23   7.915   3.313  16.422
  167    HD1  TYR  23           HD1      TYR  23  10.223   3.169  14.912
  168    HD2  TYR  23           HD2      TYR  23   9.280   6.159  17.861
  169    HE1  TYR  23           HE1      TYR  23  12.630   3.681  15.166
  170    HE2  TYR  23           HE2      TYR  23  11.689   6.651  18.145
  171    HH   TYR  23           HH       TYR  23  14.208   4.941  16.256
  172    H    ARG  24           H        ARG  24   8.648   5.247  12.552
  173    HA   ARG  24           HA       ARG  24   8.942   8.162  13.118
  174    HB2  ARG  24           HB2      ARG  24  10.791   6.244  11.632
  175    HB3  ARG  24           HB3      ARG  24  11.004   8.000  11.694
  176    HG2  ARG  24           HG2      ARG  24  11.064   6.137  14.102
  177    HG3  ARG  24           HG3      ARG  24  12.466   6.869  13.303
  178    HD2  ARG  24           HD2      ARG  24  11.488   9.134  13.794
  179    HD3  ARG  24           HD3      ARG  24  10.230   8.323  14.762
  180    HE   ARG  24           HE       ARG  24  12.775   7.412  15.638
  181   HH11  ARG  24          HH11      ARG  24  10.825  10.356  15.668
  182   HH12  ARG  24          HH12      ARG  24  11.566  10.973  17.131
  183   HH21  ARG  24          HH21      ARG  24  13.705   8.220  17.547
  184   HH22  ARG  24          HH22      ARG  24  13.191   9.766  18.189
  185    H    THR  25           H        THR  25   7.484   5.780  11.161
  186    HA   THR  25           HA       THR  25   7.493   7.171   8.634
  187    HB   THR  25           HB       THR  25   5.568   5.115   9.803
  188   HG21  THR  25          HG21      THR  25   6.053   6.064   6.952
  189   HG22  THR  25          HG22      THR  25   5.188   4.565   7.362
  190   HG23  THR  25          HG23      THR  25   4.521   6.124   7.861
  191    H    SER  26           H        SER  26   5.453   8.052   7.650
  192    HA   SER  26           HA       SER  26   3.583   9.347   9.539
  193    HB2  SER  26           HB2      SER  26   4.038  11.564   8.585
  194    HB3  SER  26           HB3      SER  26   5.551  10.886   9.231
  195    HG   SER  26           HG       SER  26   5.850  11.736   7.145
  196    HA   PRO  27           HA       PRO  27   0.892   8.597   6.105
  197    HB2  PRO  27           HB2      PRO  27  -0.866  10.691   6.093
  198    HB3  PRO  27           HB3      PRO  27  -0.860   9.424   7.362
  199    HG2  PRO  27           HG2      PRO  27   0.405  12.177   7.474
  200    HG3  PRO  27           HG3      PRO  27  -0.611  11.366   8.712
  201    HD2  PRO  27           HD2      PRO  27   2.127  11.392   8.806
  202    HD3  PRO  27           HD3      PRO  27   1.182   9.990   9.388
  203    H    ASP  28           H        ASP  28   2.806  11.529   6.260
  204    HA   ASP  28           HA       ASP  28   2.233  12.364   3.522
  205    HB2  ASP  28           HB2      ASP  28   2.895  13.940   5.346
  206    HB3  ASP  28           HB3      ASP  28   4.486  13.147   5.403
  207    H    THR  29           H        THR  29   4.770  10.468   5.234
  208    HA   THR  29           HA       THR  29   6.463  10.250   2.889
  209    HB   THR  29           HB       THR  29   7.081   7.971   4.057
  210   HG21  THR  29          HG21      THR  29   7.685  10.679   5.330
  211   HG22  THR  29          HG22      THR  29   8.660   9.201   5.525
  212   HG23  THR  29          HG23      THR  29   8.530   9.977   3.929
  213    H    LEU  30           H        LEU  30   3.972   8.079   4.351
  214    HA   LEU  30           HA       LEU  30   4.233   6.088   2.397
  215    HB2  LEU  30           HB2      LEU  30   1.723   6.865   3.914
  216    HB3  LEU  30           HB3      LEU  30   2.039   5.334   3.075
  217    HG   LEU  30           HG       LEU  30   3.907   6.349   5.250
  218   HD11  LEU  30          HD11      LEU  30   1.598   6.207   6.157
  219   HD12  LEU  30          HD12      LEU  30   1.441   4.560   5.511
  220   HD13  LEU  30          HD13      LEU  30   2.629   4.901   6.798
  221   HD21  LEU  30          HD21      LEU  30   4.750   4.553   3.803
  222   HD22  LEU  30          HD22      LEU  30   4.419   3.923   5.428
  223   HD23  LEU  30          HD23      LEU  30   3.273   3.602   4.106
  224    H    ARG  31           H        ARG  31   2.436   9.185   2.233
  225    HA   ARG  31           HA       ARG  31   0.964   8.530  -0.139
  226    HB2  ARG  31           HB2      ARG  31   0.348  10.487   1.134
  227    HB3  ARG  31           HB3      ARG  31   1.996  11.135   1.049
  228    HG2  ARG  31           HG2      ARG  31   0.485  12.329  -0.482
  229    HG3  ARG  31           HG3      ARG  31   1.784  11.507  -1.352
  230    HD2  ARG  31           HD2      ARG  31   0.166   9.575  -1.728
  231    HD3  ARG  31           HD3      ARG  31  -1.115  10.626  -1.110
  232    HE   ARG  31           HE       ARG  31   0.404  10.881  -3.645
  233   HH11  ARG  31          HH11      ARG  31  -2.055  12.290  -1.513
  234   HH12  ARG  31          HH12      ARG  31  -2.678  13.338  -2.764
  235   HH21  ARG  31          HH21      ARG  31  -0.385  12.252  -5.199
  236   HH22  ARG  31          HH22      ARG  31  -1.728  13.323  -4.864
  237    H    ARG  32           H        ARG  32   4.264   9.919   0.306
  238    HA   ARG  32           HA       ARG  32   4.526  10.140  -2.622
  239    HB2  ARG  32           HB2      ARG  32   5.428  11.857  -1.085
  240    HB3  ARG  32           HB3      ARG  32   6.491  10.639  -0.348
  241    HG2  ARG  32           HG2      ARG  32   7.615  10.312  -2.530
  242    HG3  ARG  32           HG3      ARG  32   6.546  11.540  -3.261
  243    HD2  ARG  32           HD2      ARG  32   7.391  13.213  -1.635
  244    HD3  ARG  32           HD3      ARG  32   8.452  11.990  -0.922
  245    HE   ARG  32           HE       ARG  32   9.893  12.159  -2.760
  246   HH11  ARG  32          HH11      ARG  32   6.936  14.013  -3.361
  247   HH12  ARG  32          HH12      ARG  32   7.591  14.819  -4.765
  248   HH21  ARG  32          HH21      ARG  32  10.724  13.240  -4.586
  249   HH22  ARG  32          HH22      ARG  32   9.730  14.374  -5.463
  250    H    VAL  33           H        VAL  33   5.972   8.174  -0.015
  251    HA   VAL  33           HA       VAL  33   7.863   6.828  -1.663
  252    HB   VAL  33           HB       VAL  33   8.165   5.343   0.252
  253   HG11  VAL  33          HG11      VAL  33   8.547   6.971   2.031
  254   HG12  VAL  33          HG12      VAL  33   9.105   7.574   0.456
  255   HG13  VAL  33          HG13      VAL  33   7.596   8.189   1.164
  256   HG21  VAL  33          HG21      VAL  33   6.557   5.646   2.216
  257   HG22  VAL  33          HG22      VAL  33   5.436   6.285   0.961
  258   HG23  VAL  33          HG23      VAL  33   6.076   4.639   0.836
  259    H    PHE  34           H        PHE  34   4.405   6.319  -1.201
  260    HA   PHE  34           HA       PHE  34   4.605   3.734  -2.664
  261    HB2  PHE  34           HB2      PHE  34   2.419   5.066  -1.061
  262    HB3  PHE  34           HB3      PHE  34   2.049   3.806  -2.217
  263    HD1  PHE  34           HD1      PHE  34   3.898   4.481   0.923
  264    HD2  PHE  34           HD2      PHE  34   2.454   1.523  -1.826
  265    HE1  PHE  34           HE1      PHE  34   4.543   2.669   2.522
  266    HE2  PHE  34           HE2      PHE  34   3.020  -0.274  -0.208
  267    HZ   PHE  34           HZ       PHE  34   4.106   0.306   1.948
  268    H    GLU  35           H        GLU  35   3.861   7.114  -3.183
  269    HA   GLU  35           HA       GLU  35   2.024   6.765  -5.327
  270    HB2  GLU  35           HB2      GLU  35   2.225   8.895  -4.251
  271    HB3  GLU  35           HB3      GLU  35   3.949   9.024  -4.662
  272    HG2  GLU  35           HG2      GLU  35   3.422   9.281  -7.000
  273    HG3  GLU  35           HG3      GLU  35   1.712   8.883  -6.712
  274    H    LYS  36           H        LYS  36   5.505   6.339  -5.101
  275    HA   LYS  36           HA       LYS  36   6.149   6.709  -7.865
  276    HB2  LYS  36           HB2      LYS  36   8.261   5.753  -7.299
  277    HB3  LYS  36           HB3      LYS  36   7.717   6.700  -5.897
  278    HG2  LYS  36           HG2      LYS  36   6.955   4.650  -4.779
  279    HG3  LYS  36           HG3      LYS  36   7.462   3.688  -6.192
  280    HD2  LYS  36           HD2      LYS  36   9.145   3.552  -4.426
  281    HD3  LYS  36           HD3      LYS  36   9.788   4.374  -5.863
  282    HE2  LYS  36           HE2      LYS  36   9.399   6.571  -4.782
  283    HE3  LYS  36           HE3      LYS  36   8.713   5.754  -3.367
  284    HZ1  LYS  36           HZ1      LYS  36  11.481   5.455  -4.338
  285    HZ2  LYS  36           HZ2      LYS  36  11.015   6.339  -3.035
  286    HZ3  LYS  36           HZ3      LYS  36  10.841   4.706  -3.018
  287    H    TYR  37           H        TYR  37   4.603   4.128  -6.154
  288    HA   TYR  37           HA       TYR  37   5.178   2.060  -8.124
  289    HB2  TYR  37           HB2      TYR  37   3.224   2.224  -5.802
  290    HB3  TYR  37           HB3      TYR  37   3.446   0.789  -6.803
  291    HD1  TYR  37           HD2      TYR  37   5.227   3.116  -4.511
  292    HD2  TYR  37           HD1      TYR  37   5.227  -0.718  -6.454
  293    HE1  TYR  37           HE2      TYR  37   7.210   2.456  -3.181
  294    HE2  TYR  37           HE1      TYR  37   7.190  -1.401  -5.116
  295    HH   TYR  37           HH       TYR  37   8.747  -0.773  -3.560
  296    H    GLY  38           H        GLY  38   3.112   4.756  -8.034
  297    HA2  GLY  38           HA2      GLY  38   2.209   4.677 -10.573
  298    HA3  GLY  38           HA3      GLY  38   1.030   3.619  -9.748
  299    H    ARG  39           H        ARG  39  -0.139   4.430  -7.941
  300    HA   ARG  39           HA       ARG  39  -0.075   7.199  -7.149
  301    HB2  ARG  39           HB2      ARG  39  -2.360   7.741  -7.962
  302    HB3  ARG  39           HB3      ARG  39  -1.200   7.492  -9.280
  303    HG2  ARG  39           HG2      ARG  39  -2.071   5.127  -9.515
  304    HG3  ARG  39           HG3      ARG  39  -3.369   5.556  -8.370
  305    HD2  ARG  39           HD2      ARG  39  -4.183   7.282  -9.839
  306    HD3  ARG  39           HD3      ARG  39  -2.782   7.099 -10.910
  307    HE   ARG  39           HE       ARG  39  -3.866   4.592 -10.949
  308   HH11  ARG  39          HH11      ARG  39  -5.290   7.800 -11.473
  309   HH12  ARG  39          HH12      ARG  39  -6.487   7.200 -12.595
  310   HH21  ARG  39          HH21      ARG  39  -5.401   3.867 -12.465
  311   HH22  ARG  39          HH22      ARG  39  -6.554   4.992 -13.142
  312    H    VAL  40           H        VAL  40  -0.435   6.924  -4.968
  313    HA   VAL  40           HA       VAL  40  -1.899   4.699  -3.918
  314    HB   VAL  40           HB       VAL  40  -1.788   5.680  -1.831
  315   HG11  VAL  40          HG11      VAL  40   0.566   6.902  -3.306
  316   HG12  VAL  40          HG12      VAL  40   0.474   6.479  -1.584
  317   HG13  VAL  40          HG13      VAL  40   0.427   5.196  -2.815
  318   HG21  VAL  40          HG21      VAL  40  -2.892   7.842  -2.239
  319   HG22  VAL  40          HG22      VAL  40  -1.389   8.054  -1.346
  320   HG23  VAL  40          HG23      VAL  40  -1.442   8.431  -3.088
  321    H    GLY  41           H        GLY  41  -4.121   4.404  -3.816
  322    HA2  GLY  41           HA2      GLY  41  -5.824   6.310  -5.228
  323    HA3  GLY  41           HA3      GLY  41  -6.313   4.763  -4.500
  324    H    ASP  42           H        ASP  42  -4.873   5.616  -1.949
  325    HA   ASP  42           HA       ASP  42  -6.181   7.954  -0.922
  326    HB2  ASP  42           HB2      ASP  42  -8.097   6.291  -1.028
  327    HB3  ASP  42           HB3      ASP  42  -7.185   5.260   0.085
  328    H    VAL  43           H        VAL  43  -5.802   8.048   1.551
  329    HA   VAL  43           HA       VAL  43  -3.646   6.351   2.574
  330    HB   VAL  43           HB       VAL  43  -2.313   7.830   1.299
  331   HG11  VAL  43          HG11      VAL  43  -3.943  10.119   2.460
  332   HG12  VAL  43          HG12      VAL  43  -2.434  10.312   1.541
  333   HG13  VAL  43          HG13      VAL  43  -3.844   9.601   0.756
  334   HG21  VAL  43          HG21      VAL  43  -0.986   8.961   3.001
  335   HG22  VAL  43          HG22      VAL  43  -2.333   8.888   4.152
  336   HG23  VAL  43          HG23      VAL  43  -1.526   7.392   3.613
  337    H    TYR  44           H        TYR  44  -3.972   6.046   4.706
  338    HA   TYR  44           HA       TYR  44  -5.187   8.190   6.331
  339    HB2  TYR  44           HB2      TYR  44  -7.023   6.782   5.266
  340    HB3  TYR  44           HB3      TYR  44  -6.503   5.493   6.365
  341    HD1  TYR  44           HD2      TYR  44  -6.925   9.218   6.595
  342    HD2  TYR  44           HD1      TYR  44  -7.899   5.385   8.268
  343    HE1  TYR  44           HE2      TYR  44  -8.149  10.346   8.436
  344    HE2  TYR  44           HE1      TYR  44  -9.173   6.492  10.081
  345    HH   TYR  44           HH       TYR  44  -9.790   8.521  11.030
  346    H    ILE  45           H        ILE  45  -5.269   7.633   8.628
  347    HA   ILE  45           HA       ILE  45  -3.636   5.354   9.566
  348    HB   ILE  45           HB       ILE  45  -3.141   8.255  10.298
  349   HG12  ILE  45          HG12      ILE  45  -1.353   5.975   9.330
  350   HG13  ILE  45          HG13      ILE  45  -1.913   7.343   8.344
  351   HG21  ILE  45          HG21      ILE  45  -1.657   7.386  12.087
  352   HG22  ILE  45          HG22      ILE  45  -3.315   6.860  12.376
  353   HG23  ILE  45          HG23      ILE  45  -2.149   5.722  11.694
  354   HD11  ILE  45          HD11      ILE  45  -0.712   8.895   9.899
  355   HD12  ILE  45          HD12      ILE  45  -0.039   7.474  10.735
  356   HD13  ILE  45          HD13      ILE  45   0.358   7.770   9.033
  357    HA   PRO  46           HA       PRO  46  -7.752   5.498  11.471
  358    HB2  PRO  46           HB2      PRO  46  -6.798   2.764  12.270
  359    HB3  PRO  46           HB3      PRO  46  -8.373   3.250  11.592
  360    HG2  PRO  46           HG2      PRO  46  -6.517   2.027  10.021
  361    HG3  PRO  46           HG3      PRO  46  -7.433   3.432   9.382
  362    HD2  PRO  46           HD2      PRO  46  -4.654   3.409  10.574
  363    HD3  PRO  46           HD3      PRO  46  -5.245   4.202   9.073
  364    H    ARG  47           H        ARG  47  -5.066   6.263  12.971
  365    HA   ARG  47           HA       ARG  47  -5.109   5.039  15.491
  366    HB2  ARG  47           HB2      ARG  47  -3.796   6.877  16.289
  367    HB3  ARG  47           HB3      ARG  47  -3.318   6.501  14.625
  368    HG2  ARG  47           HG2      ARG  47  -4.869   8.388  13.876
  369    HG3  ARG  47           HG3      ARG  47  -5.028   8.813  15.604
  370    HD2  ARG  47           HD2      ARG  47  -2.575   9.054  15.759
  371    HD3  ARG  47           HD3      ARG  47  -2.414   8.616  14.055
  372    HE   ARG  47           HE       ARG  47  -4.144  10.729  13.926
  373   HH11  ARG  47          HH11      ARG  47  -1.015  10.319  15.506
  374   HH12  ARG  47          HH12      ARG  47  -0.564  12.003  15.319
  375   HH21  ARG  47          HH21      ARG  47  -3.540  12.918  13.700
  376   HH22  ARG  47          HH22      ARG  47  -1.997  13.462  14.311
  377    H    ASP  48           H        ASP  48  -5.929   5.877  17.585
  378    HA   ASP  48           HA       ASP  48  -8.678   6.046  17.589
  379    HB2  ASP  48           HB2      ASP  48  -7.203   5.475  19.510
  380    HB3  ASP  48           HB3      ASP  48  -6.811   7.186  19.702
  381    H    ARG  49           H        ARG  49 -10.182   7.542  17.176
  382    HA   ARG  49           HA       ARG  49  -9.325  10.043  16.068
  383    HB2  ARG  49           HB2      ARG  49 -11.608  10.302  15.401
  384    HB3  ARG  49           HB3      ARG  49 -11.189   8.593  15.217
  385    HG2  ARG  49           HG2      ARG  49 -12.259   8.133  17.447
  386    HG3  ARG  49           HG3      ARG  49 -12.747   9.846  17.514
  387    HD2  ARG  49           HD2      ARG  49 -13.568   7.840  15.382
  388    HD3  ARG  49           HD3      ARG  49 -14.579   8.409  16.703
  389    HE   ARG  49           HE       ARG  49 -13.553  10.143  14.477
  390   HH11  ARG  49          HH11      ARG  49 -15.977   9.480  16.981
  391   HH12  ARG  49          HH12      ARG  49 -17.060  10.718  16.406
  392   HH21  ARG  49          HH21      ARG  49 -14.927  11.792  13.830
  393   HH22  ARG  49          HH22      ARG  49 -16.448  12.072  14.651
  394    H    TYR  50           H        TYR  50  -9.346   9.434  19.232
  395    HA   TYR  50           HA       TYR  50 -10.236  12.210  19.877
  396    HB2  TYR  50           HB2      TYR  50 -10.662   9.902  21.765
  397    HB3  TYR  50           HB3      TYR  50 -11.325  11.521  21.867
  398    HD1  TYR  50           HD2      TYR  50 -13.033  12.179  19.931
  399    HD2  TYR  50           HD1      TYR  50 -11.899   8.166  20.971
  400    HE1  TYR  50           HE2      TYR  50 -15.143  11.324  18.943
  401    HE2  TYR  50           HE1      TYR  50 -13.996   7.300  20.005
  402    HH   TYR  50           HH       TYR  50 -15.971   7.834  18.968
  403    H    THR  51           H        THR  51  -7.866   9.689  20.167
  404    HA   THR  51           HA       THR  51  -6.368  11.330  22.146
  405    HB   THR  51           HB       THR  51  -5.859   9.390  23.490
  406   HG21  THR  51          HG21      THR  51  -8.865   9.381  22.975
  407   HG22  THR  51          HG22      THR  51  -8.027   8.866  24.456
  408   HG23  THR  51          HG23      THR  51  -8.016  10.577  23.985
  409    H    LYS  52           H        LYS  52  -6.391   9.908  19.180
  410    HA   LYS  52           HA       LYS  52  -4.933   8.857  17.813
  411    HB2  LYS  52           HB2      LYS  52  -3.014  10.396  17.320
  412    HB3  LYS  52           HB3      LYS  52  -4.593  11.174  17.427
  413    HG2  LYS  52           HG2      LYS  52  -4.081  11.938  19.737
  414    HG3  LYS  52           HG3      LYS  52  -2.511  11.098  19.657
  415    HD2  LYS  52           HD2      LYS  52  -2.215  13.469  19.205
  416    HD3  LYS  52           HD3      LYS  52  -1.857  12.514  17.756
  417    HE2  LYS  52           HE2      LYS  52  -3.139  14.490  17.128
  418    HE3  LYS  52           HE3      LYS  52  -4.113  13.037  16.859
  419    HZ1  LYS  52           HZ1      LYS  52  -4.306  14.805  19.206
  420    HZ2  LYS  52           HZ2      LYS  52  -5.350  14.793  17.944
  421    HZ3  LYS  52           HZ3      LYS  52  -5.241  13.477  18.921
  422    H    GLU  53           H        GLU  53  -4.800   7.446  20.218
  423    HA   GLU  53           HA       GLU  53  -1.966   7.148  20.940
  424    HB2  GLU  53           HB2      GLU  53  -2.757   5.791  22.755
  425    HB3  GLU  53           HB3      GLU  53  -3.756   7.249  22.660
  426    HG2  GLU  53           HG2      GLU  53  -5.509   5.945  21.460
  427    HG3  GLU  53           HG3      GLU  53  -4.505   4.496  21.577
  428    H    SER  54           H        SER  54  -3.338   6.087  18.284
  429    HA   SER  54           HA       SER  54  -2.213   3.337  18.492
  430    HB2  SER  54           HB2      SER  54  -4.845   4.096  17.190
  431    HB3  SER  54           HB3      SER  54  -4.108   2.478  17.188
  432    HG   SER  54           HG       SER  54  -5.642   2.720  18.852
  433    H    ARG  55           H        ARG  55  -1.116   5.852  17.422
  434    HA   ARG  55           HA       ARG  55  -1.093   5.841  14.566
  435    HB2  ARG  55           HB2      ARG  55  -0.378   7.638  16.260
  436    HB3  ARG  55           HB3      ARG  55   1.131   6.730  16.437
  437    HG2  ARG  55           HG2      ARG  55   1.505   7.008  13.945
  438    HG3  ARG  55           HG3      ARG  55   0.041   8.012  13.887
  439    HD2  ARG  55           HD2      ARG  55   1.068   9.534  15.571
  440    HD3  ARG  55           HD3      ARG  55   2.526   8.534  15.582
  441    HE   ARG  55           HE       ARG  55   1.761  10.508  13.601
  442   HH11  ARG  55          HH11      ARG  55   3.604   7.502  14.045
  443   HH12  ARG  55          HH12      ARG  55   4.681   7.862  12.714
  444   HH21  ARG  55          HH21      ARG  55   3.229  10.928  11.912
  445   HH22  ARG  55          HH22      ARG  55   4.469   9.751  11.529
  446    H    GLY  56           H        GLY  56  -0.266   3.309  16.430
  447    HA2  GLY  56           HA2      GLY  56   2.385   2.608  15.685
  448    HA3  GLY  56           HA3      GLY  56   1.135   1.522  16.314
  449    H    PHE  57           H        PHE  57  -0.330   2.788  13.635
  450    HA   PHE  57           HA       PHE  57   1.107   1.309  11.566
  451    HB2  PHE  57           HB2      PHE  57  -0.562  -0.293  11.095
  452    HB3  PHE  57           HB3      PHE  57  -0.265  -0.429  12.821
  453    HD1  PHE  57           HD1      PHE  57  -1.898   0.975  14.379
  454    HD2  PHE  57           HD2      PHE  57  -2.692  -0.030  10.271
  455    HE1  PHE  57           HE1      PHE  57  -4.313   1.328  14.758
  456    HE2  PHE  57           HE2      PHE  57  -5.102   0.380  10.630
  457    HZ   PHE  57           HZ       PHE  57  -5.928   1.001  12.901
  458    H    ALA  58           H        ALA  58  -0.607   1.225   9.563
  459    HA   ALA  58           HA       ALA  58  -2.023   3.809   9.366
  460    HB1  ALA  58           HB1      ALA  58   0.302   2.990   7.569
  461    HB2  ALA  58           HB2      ALA  58  -0.754   4.399   7.319
  462    HB3  ALA  58           HB3      ALA  58   0.304   4.330   8.738
  463    H    PHE  59           H        PHE  59  -2.807   3.964   6.939
  464    HA   PHE  59           HA       PHE  59  -3.602   1.346   5.853
  465    HB2  PHE  59           HB2      PHE  59  -5.256   2.137   7.626
  466    HB3  PHE  59           HB3      PHE  59  -5.650   3.476   6.555
  467    HD1  PHE  59           HD1      PHE  59  -5.412   1.646   3.925
  468    HD2  PHE  59           HD2      PHE  59  -7.477   1.277   7.693
  469    HE1  PHE  59           HE1      PHE  59  -7.060   0.155   2.877
  470    HE2  PHE  59           HE2      PHE  59  -9.141  -0.185   6.625
  471    HZ   PHE  59           HZ       PHE  59  -8.924  -0.795   4.224
  472    H    VAL  60           H        VAL  60  -1.904   2.342   4.339
  473    HA   VAL  60           HA       VAL  60  -2.883   4.479   2.578
  474    HB   VAL  60           HB       VAL  60  -0.825   2.393   1.801
  475   HG11  VAL  60          HG11      VAL  60   0.157   4.315   0.594
  476   HG12  VAL  60          HG12      VAL  60  -1.486   3.946   0.053
  477   HG13  VAL  60          HG13      VAL  60  -1.189   5.338   1.130
  478   HG21  VAL  60          HG21      VAL  60  -0.213   3.210   4.083
  479   HG22  VAL  60          HG22      VAL  60   0.914   3.699   2.820
  480   HG23  VAL  60          HG23      VAL  60  -0.274   4.879   3.459
  481    H    ARG  61           H        ARG  61  -3.383   3.914   0.163
  482    HA   ARG  61           HA       ARG  61  -4.196   1.139  -0.282
  483    HB2  ARG  61           HB2      ARG  61  -6.207   1.725   0.751
  484    HB3  ARG  61           HB3      ARG  61  -6.144   3.395   0.177
  485    HG2  ARG  61           HG2      ARG  61  -6.833   2.791  -2.029
  486    HG3  ARG  61           HG3      ARG  61  -6.642   1.052  -1.693
  487    HD2  ARG  61           HD2      ARG  61  -9.014   1.944  -1.687
  488    HD3  ARG  61           HD3      ARG  61  -8.508   0.969  -0.299
  489    HE   ARG  61           HE       ARG  61  -8.688   3.961  -0.286
  490   HH11  ARG  61          HH11      ARG  61  -9.022   0.816   1.304
  491   HH12  ARG  61          HH12      ARG  61  -9.482   1.532   2.840
  492   HH21  ARG  61          HH21      ARG  61  -9.224   4.834   1.791
  493   HH22  ARG  61          HH22      ARG  61  -9.624   3.752   3.097
  494    H    PHE  62           H        PHE  62  -4.814   0.670  -2.417
  495    HA   PHE  62           HA       PHE  62  -4.316   2.790  -4.473
  496    HB2  PHE  62           HB2      PHE  62  -3.563  -0.148  -4.592
  497    HB3  PHE  62           HB3      PHE  62  -3.487   0.968  -5.947
  498    HD1  PHE  62           HD1      PHE  62  -2.204   0.547  -2.451
  499    HD2  PHE  62           HD2      PHE  62  -1.538   2.200  -6.374
  500    HE1  PHE  62           HE1      PHE  62   0.059   1.198  -1.779
  501    HE2  PHE  62           HE2      PHE  62   0.772   2.808  -5.713
  502    HZ   PHE  62           HZ       PHE  62   1.592   2.292  -3.458
  503    H    HIS  63           H        HIS  63  -5.460   2.437  -6.486
  504    HA   HIS  63           HA       HIS  63  -7.986   0.929  -6.139
  505    HB2  HIS  63           HB2      HIS  63  -9.292   2.789  -6.735
  506    HB3  HIS  63           HB3      HIS  63  -8.182   3.363  -5.472
  507    HD2  HIS  63           HD2      HIS  63  -5.699   4.405  -6.888
  508    HE1  HIS  63           HE1      HIS  63  -8.187   6.325  -9.759
  509    HE2  HIS  63           HE2      HIS  63  -5.841   6.232  -8.748
  510    H    ASP  64           H        ASP  64  -5.340   0.964  -7.810
  511    HA   ASP  64           HA       ASP  64  -6.695   0.231 -10.353
  512    HB2  ASP  64           HB2      ASP  64  -5.464   2.462 -10.436
  513    HB3  ASP  64           HB3      ASP  64  -3.969   1.552 -10.173
  514    H    LYS  65           H        LYS  65  -6.236  -1.797 -10.938
  515    HA   LYS  65           HA       LYS  65  -5.032  -3.421  -8.930
  516    HB2  LYS  65           HB2      LYS  65  -5.745  -5.276 -10.208
  517    HB3  LYS  65           HB3      LYS  65  -6.971  -4.016 -10.318
  518    HG2  LYS  65           HG2      LYS  65  -6.913  -4.619 -12.522
  519    HG3  LYS  65           HG3      LYS  65  -5.675  -3.358 -12.547
  520    HD2  LYS  65           HD2      LYS  65  -4.892  -5.318 -13.767
  521    HD3  LYS  65           HD3      LYS  65  -3.916  -5.156 -12.301
  522    HE2  LYS  65           HE2      LYS  65  -5.385  -6.830 -11.165
  523    HE3  LYS  65           HE3      LYS  65  -6.310  -7.005 -12.664
  524    HZ1  LYS  65           HZ1      LYS  65  -4.664  -8.720 -12.473
  525    HZ2  LYS  65           HZ2      LYS  65  -4.284  -7.735 -13.736
  526    HZ3  LYS  65           HZ3      LYS  65  -3.458  -7.623 -12.312
  527    H    ARG  66           H        ARG  66  -3.601  -2.082 -11.906
  528    HA   ARG  66           HA       ARG  66  -1.491  -4.089 -11.921
  529    HB2  ARG  66           HB2      ARG  66  -0.500  -2.732 -13.663
  530    HB3  ARG  66           HB3      ARG  66  -2.240  -2.883 -13.955
  531    HG2  ARG  66           HG2      ARG  66  -2.544  -0.620 -12.845
  532    HG3  ARG  66           HG3      ARG  66  -0.774  -0.481 -12.794
  533    HD2  ARG  66           HD2      ARG  66  -2.448  -0.868 -15.308
  534    HD3  ARG  66           HD3      ARG  66  -1.730   0.666 -14.766
  535    HE   ARG  66           HE       ARG  66   0.309  -1.312 -14.926
  536   HH11  ARG  66          HH11      ARG  66  -1.779   0.639 -17.013
  537   HH12  ARG  66          HH12      ARG  66  -0.642   0.641 -18.343
  538   HH21  ARG  66          HH21      ARG  66   1.768  -1.300 -16.693
  539   HH22  ARG  66          HH22      ARG  66   1.349  -0.458 -18.166
  540    H    ASP  67           H        ASP  67  -1.870  -0.777 -10.620
  541    HA   ASP  67           HA       ASP  67   0.891  -0.616  -9.745
  542    HB2  ASP  67           HB2      ASP  67  -1.584   0.951  -8.902
  543    HB3  ASP  67           HB3      ASP  67   0.097   1.397  -8.560
  544    H    ALA  68           H        ALA  68  -2.141  -1.879  -8.466
  545    HA   ALA  68           HA       ALA  68  -1.311  -1.918  -5.710
  546    HB1  ALA  68           HB1      ALA  68  -3.678  -1.882  -6.373
  547    HB2  ALA  68           HB2      ALA  68  -3.485  -3.433  -7.220
  548    HB3  ALA  68           HB3      ALA  68  -3.317  -3.365  -5.454
  549    H    GLU  69           H        GLU  69  -1.275  -4.334  -8.408
  550    HA   GLU  69           HA       GLU  69  -0.424  -6.476  -6.681
  551    HB2  GLU  69           HB2      GLU  69  -0.344  -6.090  -9.689
  552    HB3  GLU  69           HB3      GLU  69   0.215  -7.571  -8.873
  553    HG2  GLU  69           HG2      GLU  69  -1.997  -7.878  -7.844
  554    HG3  GLU  69           HG3      GLU  69  -2.595  -6.417  -8.638
  555    H    ASP  70           H        ASP  70   1.312  -3.954  -8.541
  556    HA   ASP  70           HA       ASP  70   3.918  -5.175  -8.061
  557    HB2  ASP  70           HB2      ASP  70   3.010  -2.374  -8.822
  558    HB3  ASP  70           HB3      ASP  70   4.705  -2.845  -8.627
  559    H    ALA  71           H        ALA  71   1.868  -2.733  -6.404
  560    HA   ALA  71           HA       ALA  71   3.848  -1.753  -4.649
  561    HB1  ALA  71           HB1      ALA  71   0.852  -2.056  -4.243
  562    HB2  ALA  71           HB2      ALA  71   1.933  -1.040  -3.256
  563    HB3  ALA  71           HB3      ALA  71   1.679  -0.665  -4.979
  564    H    MET  72           H        MET  72   1.827  -4.728  -4.442
  565    HA   MET  72           HA       MET  72   2.882  -5.177  -1.725
  566    HB2  MET  72           HB2      MET  72   1.387  -7.042  -1.596
  567    HB3  MET  72           HB3      MET  72   0.484  -5.716  -2.372
  568    HG2  MET  72           HG2      MET  72   1.183  -6.663  -4.579
  569    HG3  MET  72           HG3      MET  72   1.798  -8.092  -3.725
  570    HE1  MET  72           HE1      MET  72  -0.033  -8.356  -6.100
  571    HE2  MET  72           HE2      MET  72   0.424  -9.767  -5.129
  572    HE3  MET  72           HE3      MET  72  -1.283  -9.509  -5.563
  573    H    ASP  73           H        ASP  73   3.488  -6.227  -5.038
  574    HA   ASP  73           HA       ASP  73   5.056  -8.529  -4.327
  575    HB2  ASP  73           HB2      ASP  73   3.996  -8.188  -6.539
  576    HB3  ASP  73           HB3      ASP  73   5.067  -6.810  -6.838
  577    H    ALA  74           H        ALA  74   5.656  -5.206  -3.879
  578    HA   ALA  74           HA       ALA  74   8.590  -5.752  -3.701
  579    HB1  ALA  74           HB1      ALA  74   8.908  -3.413  -4.515
  580    HB2  ALA  74           HB2      ALA  74   8.134  -4.478  -5.717
  581    HB3  ALA  74           HB3      ALA  74   7.135  -3.347  -4.780
  582    H    MET  75           H        MET  75   5.796  -4.654  -2.027
  583    HA   MET  75           HA       MET  75   7.593  -3.463   0.073
  584    HB2  MET  75           HB2      MET  75   4.655  -2.998  -0.493
  585    HB3  MET  75           HB3      MET  75   5.453  -2.478   0.985
  586    HG2  MET  75           HG2      MET  75   6.662  -1.626  -1.636
  587    HG3  MET  75           HG3      MET  75   5.155  -0.872  -1.103
  588    HE1  MET  75           HE1      MET  75   7.067   2.133  -0.056
  589    HE2  MET  75           HE2      MET  75   7.375   1.207  -1.539
  590    HE3  MET  75           HE3      MET  75   5.715   1.393  -0.951
  591    H    ASP  76           H        ASP  76   5.170  -6.062  -0.566
  592    HA   ASP  76           HA       ASP  76   4.671  -6.531   2.198
  593    HB2  ASP  76           HB2      ASP  76   3.290  -7.499   0.368
  594    HB3  ASP  76           HB3      ASP  76   4.663  -8.536  -0.089
  595    H    GLY  77           H        GLY  77   5.949  -7.317   3.745
  596    HA2  GLY  77           HA2      GLY  77   7.467  -8.733   4.773
  597    HA3  GLY  77           HA3      GLY  77   7.907  -9.414   3.195
  598    H    ALA  78           H        ALA  78   8.078  -6.064   2.880
  599    HA   ALA  78           HA       ALA  78  10.943  -6.043   2.814
  600    HB1  ALA  78           HB1      ALA  78   9.540  -4.650   1.341
  601    HB2  ALA  78           HB2      ALA  78   8.898  -3.783   2.750
  602    HB3  ALA  78           HB3      ALA  78  10.624  -3.638   2.315
  603    H    VAL  79           H        VAL  79  11.950  -3.907   3.945
  604    HA   VAL  79           HA       VAL  79  11.280  -3.993   6.854
  605    HB   VAL  79           HB       VAL  79  13.998  -4.502   5.575
  606   HG11  VAL  79          HG11      VAL  79  14.881  -4.617   7.862
  607   HG12  VAL  79          HG12      VAL  79  14.299  -2.990   7.477
  608   HG13  VAL  79          HG13      VAL  79  13.320  -4.061   8.505
  609   HG21  VAL  79          HG21      VAL  79  13.884  -6.594   6.922
  610   HG22  VAL  79          HG22      VAL  79  12.241  -6.149   7.442
  611   HG23  VAL  79          HG23      VAL  79  12.566  -6.501   5.733
  612    H    LEU  80           H        LEU  80  11.527  -2.185   7.906
  613    HA   LEU  80           HA       LEU  80  13.356  -0.090   7.010
  614    HB2  LEU  80           HB2      LEU  80  11.177   0.467   5.898
  615    HB3  LEU  80           HB3      LEU  80  10.391   0.442   7.489
  616    HG   LEU  80           HG       LEU  80  11.880   2.318   8.214
  617   HD11  LEU  80          HD11      LEU  80  13.165   3.546   6.476
  618   HD12  LEU  80          HD12      LEU  80  13.807   1.917   6.742
  619   HD13  LEU  80          HD13      LEU  80  12.804   2.251   5.310
  620   HD21  LEU  80          HD21      LEU  80   9.652   2.758   7.253
  621   HD22  LEU  80          HD22      LEU  80  10.801   4.044   6.820
  622   HD23  LEU  80          HD23      LEU  80  10.361   2.813   5.619
  623    H    ASP  81           H        ASP  81  14.081   1.045   8.799
  624    HA   ASP  81           HA       ASP  81  14.756   1.324  10.922
  625    HB2  ASP  81           HB2      ASP  81  12.523   2.345  11.075
  626    HB3  ASP  81           HB3      ASP  81  11.847   0.793  11.592
  627    H    GLY  82           H        GLY  82  13.768  -1.714   9.895
  628    HA2  GLY  82           HA2      GLY  82  15.135  -3.566  10.593
  629    HA3  GLY  82           HA3      GLY  82  15.079  -2.967  12.267
  630    H    ARG  83           H        ARG  83  12.040  -2.416  11.088
  631    HA   ARG  83           HA       ARG  83  10.994  -4.988  12.147
  632    HB2  ARG  83           HB2      ARG  83   8.901  -3.823  12.419
  633    HB3  ARG  83           HB3      ARG  83  10.202  -2.929  13.208
  634    HG2  ARG  83           HG2      ARG  83  10.275  -1.323  11.371
  635    HG3  ARG  83           HG3      ARG  83   9.105  -2.268  10.429
  636    HD2  ARG  83           HD2      ARG  83   7.951  -0.408  11.521
  637    HD3  ARG  83           HD3      ARG  83   7.400  -1.936  12.200
  638    HE   ARG  83           HE       ARG  83   9.632  -0.796  13.684
  639   HH11  ARG  83          HH11      ARG  83   6.117  -0.594  13.288
  640   HH12  ARG  83          HH12      ARG  83   5.848  -0.134  14.950
  641   HH21  ARG  83          HH21      ARG  83   9.250  -0.140  15.817
  642   HH22  ARG  83          HH22      ARG  83   7.619   0.189  16.357
  643    H    GLU  84           H        GLU  84   8.495  -4.813  10.883
  644    HA   GLU  84           HA       GLU  84   9.287  -5.777   8.164
  645    HB2  GLU  84           HB2      GLU  84   7.005  -6.505  10.040
  646    HB3  GLU  84           HB3      GLU  84   7.106  -7.051   8.353
  647    HG2  GLU  84           HG2      GLU  84   9.291  -8.126   8.856
  648    HG3  GLU  84           HG3      GLU  84   9.172  -7.550  10.528
  649    H    LEU  85           H        LEU  85   7.532  -5.533   6.521
  650    HA   LEU  85           HA       LEU  85   5.752  -3.187   6.960
  651    HB2  LEU  85           HB2      LEU  85   7.517  -3.711   4.528
  652    HB3  LEU  85           HB3      LEU  85   6.304  -2.426   4.663
  653    HG   LEU  85           HG       LEU  85   8.798  -2.689   6.406
  654   HD11  LEU  85          HD11      LEU  85   8.105  -0.791   4.130
  655   HD12  LEU  85          HD12      LEU  85   9.557  -0.703   5.154
  656   HD13  LEU  85          HD13      LEU  85   9.316  -2.094   4.078
  657   HD21  LEU  85          HD21      LEU  85   6.718  -0.465   6.184
  658   HD22  LEU  85          HD22      LEU  85   6.940  -1.543   7.588
  659   HD23  LEU  85          HD23      LEU  85   8.216  -0.403   7.148
  660    H    ARG  86           H        ARG  86   3.786  -3.348   5.751
  661    HA   ARG  86           HA       ARG  86   3.306  -6.001   4.501
  662    HB2  ARG  86           HB2      ARG  86   1.963  -4.818   6.956
  663    HB3  ARG  86           HB3      ARG  86   1.207  -6.104   6.011
  664    HG2  ARG  86           HG2      ARG  86   3.940  -6.251   7.371
  665    HG3  ARG  86           HG3      ARG  86   2.451  -6.990   7.978
  666    HD2  ARG  86           HD2      ARG  86   2.339  -8.492   6.075
  667    HD3  ARG  86           HD3      ARG  86   3.686  -7.667   5.274
  668    HE   ARG  86           HE       ARG  86   4.443  -8.660   7.880
  669   HH11  ARG  86          HH11      ARG  86   3.964  -9.558   4.486
  670   HH12  ARG  86          HH12      ARG  86   5.076 -10.901   4.570
  671   HH21  ARG  86          HH21      ARG  86   5.978 -10.328   7.916
  672   HH22  ARG  86          HH22      ARG  86   6.206 -11.355   6.513
  673    H    VAL  87           H        VAL  87   1.600  -6.147   3.153
  674    HA   VAL  87           HA       VAL  87  -0.202  -3.940   2.628
  675    HB   VAL  87           HB       VAL  87   1.677  -2.948   1.566
  676   HG11  VAL  87          HG11      VAL  87   2.237  -5.643   0.285
  677   HG12  VAL  87          HG12      VAL  87   3.092  -4.115  -0.056
  678   HG13  VAL  87          HG13      VAL  87   3.206  -4.847   1.553
  679   HG21  VAL  87          HG21      VAL  87  -0.355  -2.949   0.143
  680   HG22  VAL  87          HG22      VAL  87   1.133  -3.010  -0.830
  681   HG23  VAL  87          HG23      VAL  87   0.168  -4.478  -0.597
  682    H    GLN  88           H        GLN  88  -2.026  -4.815   1.767
  683    HA   GLN  88           HA       GLN  88  -2.024  -7.084  -0.004
  684    HB2  GLN  88           HB2      GLN  88  -3.067  -8.708   1.456
  685    HB3  GLN  88           HB3      GLN  88  -1.526  -8.223   2.162
  686    HG2  GLN  88           HG2      GLN  88  -4.298  -7.276   3.019
  687    HG3  GLN  88           HG3      GLN  88  -3.272  -8.439   3.866
  688   HE21  GLN  88          HE22      GLN  88  -0.903  -7.465   4.341
  689   HE22  GLN  88          HE21      GLN  88  -0.959  -5.851   5.040
  690    H    MET  89           H        MET  89  -4.401  -7.837  -0.364
  691    HA   MET  89           HA       MET  89  -5.924  -5.479  -0.943
  692    HB2  MET  89           HB2      MET  89  -6.748  -8.408  -0.952
  693    HB3  MET  89           HB3      MET  89  -7.626  -7.073  -1.725
  694    HG2  MET  89           HG2      MET  89  -4.792  -7.959  -2.379
  695    HG3  MET  89           HG3      MET  89  -6.217  -8.331  -3.337
  696    HE1  MET  89           HE1      MET  89  -4.506  -7.418  -5.307
  697    HE2  MET  89           HE2      MET  89  -3.905  -5.748  -5.364
  698    HE3  MET  89           HE3      MET  89  -3.317  -6.847  -4.104
  699    H    ALA  90           H        ALA  90  -7.812  -4.652  -0.044
  700    HA   ALA  90           HA       ALA  90  -8.135  -5.009   2.788
  701    HB1  ALA  90           HB1      ALA  90  -9.843  -3.528   0.758
  702    HB2  ALA  90           HB2      ALA  90  -9.949  -3.360   2.523
  703    HB3  ALA  90           HB3      ALA  90  -8.478  -2.859   1.676
  704    H    ARG  91           H        ARG  91 -10.592  -5.155   3.564
  705    HA   ARG  91           HA       ARG  91 -11.946  -7.416   2.177
  706    HB2  ARG  91           HB2      ARG  91 -12.163  -8.647   4.241
  707    HB3  ARG  91           HB3      ARG  91 -10.431  -8.319   3.924
  708    HG2  ARG  91           HG2      ARG  91 -10.609  -6.357   5.500
  709    HG3  ARG  91           HG3      ARG  91 -12.263  -6.870   5.879
  710    HD2  ARG  91           HD2      ARG  91  -9.756  -8.551   6.277
  711    HD3  ARG  91           HD3      ARG  91 -10.566  -7.627   7.540
  712    HE   ARG  91           HE       ARG  91 -12.468  -9.095   7.410
  713   HH11  ARG  91          HH11      ARG  91  -9.710 -10.167   5.463
  714   HH12  ARG  91          HH12      ARG  91 -10.283 -11.817   5.362
  715   HH21  ARG  91          HH21      ARG  91 -13.168 -11.253   7.268
  716   HH22  ARG  91          HH22      ARG  91 -12.225 -12.429   6.381
  717    H    TYR  92           H        TYR  92 -12.148  -4.449   3.788
  718    HA   TYR  92           HA       TYR  92 -15.125  -4.698   3.899
  719    HB2  TYR  92           HB2      TYR  92 -13.410  -3.170   5.885
  720    HB3  TYR  92           HB3      TYR  92 -15.172  -3.332   5.902
  721    HD1  TYR  92           HD2      TYR  92 -15.718  -6.159   5.626
  722    HD2  TYR  92           HD1      TYR  92 -12.514  -4.193   7.727
  723    HE1  TYR  92           HE2      TYR  92 -15.494  -8.115   7.123
  724    HE2  TYR  92           HE1      TYR  92 -12.287  -6.139   9.228
  725    HH   TYR  92           HH       TYR  92 -13.075  -8.242   9.761
  726    H    GLY  93           H        GLY  93 -16.237  -2.562   3.773
  727    HA2  GLY  93           HA2      GLY  93 -14.889  -0.742   1.912
  728    HA3  GLY  93           HA3      GLY  93 -16.554  -0.617   2.535
  729    H    ARG  94           H        ARG  94 -16.196  -0.654   5.276
  730    HA   ARG  94           HA       ARG  94 -13.966   0.675   6.309
  731    HB2  ARG  94           HB2      ARG  94 -14.646   2.862   6.668
  732    HB3  ARG  94           HB3      ARG  94 -15.299   2.581   5.063
  733    HG2  ARG  94           HG2      ARG  94 -17.521   2.114   6.023
  734    HG3  ARG  94           HG3      ARG  94 -16.850   2.361   7.662
  735    HD2  ARG  94           HD2      ARG  94 -18.092   4.338   6.726
  736    HD3  ARG  94           HD3      ARG  94 -16.452   4.660   7.297
  737    HE   ARG  94           HE       ARG  94 -17.379   4.641   4.486
  738   HH11  ARG  94          HH11      ARG  94 -14.720   5.032   6.792
  739   HH12  ARG  94          HH12      ARG  94 -13.676   5.824   5.643
  740   HH21  ARG  94          HH21      ARG  94 -15.995   5.700   3.003
  741   HH22  ARG  94          HH22      ARG  94 -14.407   6.224   3.515
  742    HA   PRO  95           HA       PRO  95 -15.608  -1.233   9.949
  743    HB2  PRO  95           HB2      PRO  95 -15.287   0.706  11.914
  744    HB3  PRO  95           HB3      PRO  95 -13.943  -0.281  11.239
  745    HG2  PRO  95           HG2      PRO  95 -14.877   2.464  10.311
  746    HG3  PRO  95           HG3      PRO  95 -13.204   2.016  10.746
  747    HD2  PRO  95           HD2      PRO  95 -13.925   1.993   8.201
  748    HD3  PRO  95           HD3      PRO  95 -13.091   0.533   8.826
  749    HA   PRO  96           HA       PRO  96 -19.782   0.209  10.027
  750    HB2  PRO  96           HB2      PRO  96 -20.938  -1.744  11.496
  751    HB3  PRO  96           HB3      PRO  96 -20.133  -2.129   9.934
  752    HG2  PRO  96           HG2      PRO  96 -18.982  -2.350  12.734
  753    HG3  PRO  96           HG3      PRO  96 -18.996  -3.604  11.448
  754    HD2  PRO  96           HD2      PRO  96 -16.846  -1.934  11.874
  755    HD3  PRO  96           HD3      PRO  96 -17.300  -2.511  10.243
  756    H    ASP  97           H        ASP  97 -17.895   0.102  13.026
  757    HA   ASP  97           HA       ASP  97 -19.843   1.906  14.255
  758    HB2  ASP  97           HB2      ASP  97 -20.676  -0.471  14.624
  759    HB3  ASP  97           HB3      ASP  97 -19.215  -0.783  15.557
  760    H    SER  98           H        SER  98 -16.832   1.691  13.556
  761    HA   SER  98           HA       SER  98 -15.461   1.697  16.100
  762    HB2  SER  98           HB2      SER  98 -14.631   2.665  13.344
  763    HB3  SER  98           HB3      SER  98 -13.564   2.653  14.759
  764    HG   SER  98           HG       SER  98 -13.336   0.730  13.590
  765    H    HIS  99           H        HIS  99 -17.587   4.012  14.833
  766    HA   HIS  99           HA       HIS  99 -16.485   6.048  16.651
  767    HB2  HIS  99           HB2      HIS  99 -16.318   7.751  15.001
  768    HB3  HIS  99           HB3      HIS  99 -15.407   6.372  14.383
  769    HD2  HIS  99           HD2      HIS  99 -16.936   4.767  12.533
  770    HE1  HIS  99           HE1      HIS  99 -19.236   8.080  11.192
  771    HE2  HIS  99           HE2      HIS  99 -18.557   5.674  10.691
  772    H    HIS 100           H        HIS 100 -17.982   7.939  16.844
  773    HA   HIS 100           HA       HIS 100 -20.791   7.468  16.071
  774    HB2  HIS 100           HB2      HIS 100 -19.894   7.725  18.965
  775    HB3  HIS 100           HB3      HIS 100 -21.563   7.620  18.402
  776    HD2  HIS 100           HD2      HIS 100 -22.172   5.197  17.037
  777    HE1  HIS 100           HE1      HIS 100 -19.320   2.941  19.241
  778    HE2  HIS 100           HE2      HIS 100 -21.335   2.802  17.686
  779    H    SER 101           H        SER 101 -22.161   9.329  16.905
  780    HA   SER 101           HA       SER 101 -20.718  11.870  17.344
  781    HB2  SER 101           HB2      SER 101 -22.528  11.332  14.949
  782    HB3  SER 101           HB3      SER 101 -21.975  12.935  15.476
  783    HG   SER 101           HG       SER 101 -20.299  10.778  14.710
  784    H5'    U 102           H5'        U 102  -7.583  -5.034  13.335
  785   H5''    U 102          H5''        U 102  -6.956  -4.614  14.944
  786    H4'    U 102           H4'        U 102  -6.500  -2.854  12.495
  787    H3'    U 102           H3'        U 102  -5.379  -5.424  12.922
  788    H2'    U 102           H2'        U 102  -4.243  -4.726  14.902
  789   HO2'    U 102          HO2'        U 102  -2.622  -5.402  13.377
  790    H1'    U 102           H1'        U 102  -3.844  -2.116  13.398
  791    H3     U 102           H3         U 102  -3.718  -1.925  18.708
  792    H5     U 102           H5         U 102  -0.543  -0.803  16.188
  793    H6     U 102           H6         U 102  -1.855  -1.651  14.297
  794   HO5'    U 102          HO5'        U 102  -8.158  -2.652  14.775
  795    H5'    C 103           H5'        C 103  -5.884  -2.081   8.936
  796   H5''    C 103          H5''        C 103  -5.979  -1.684  10.658
  797    H4'    C 103           H4'        C 103  -7.774  -0.514   9.818
  798    H3'    C 103           H3'        C 103  -8.484  -2.631  11.418
  799    H2'    C 103           H2'        C 103  -9.017  -4.231   9.826
  800   HO2'    C 103          HO2'        C 103 -11.049  -3.664  10.789
  801    H1'    C 103           H1'        C 103 -10.181  -2.371   7.818
  802    H41    C 103           H41        C 103  -7.841  -6.591   3.678
  803    H42    C 103           H42        C 103  -6.955  -7.405   4.951
  804    H5     C 103           H5         C 103  -6.887  -6.607   7.244
  805    H6     C 103           H6         C 103  -7.670  -4.936   8.759
  806    H5'    C 104           H5'        C 104 -11.283   2.136  11.522
  807   H5''    C 104          H5''        C 104 -11.269   1.207  10.012
  808    H4'    C 104           H4'        C 104 -10.037   3.984  10.465
  809    H3'    C 104           H3'        C 104 -12.432   2.821   9.068
  810    H2'    C 104           H2'        C 104 -12.294   4.156   7.278
  811   HO2'    C 104          HO2'        C 104 -12.044   6.188   8.416
  812    H1'    C 104           H1'        C 104  -9.502   4.398   7.232
  813    H41    C 104           H41        C 104 -11.320   0.260   2.700
  814    H42    C 104           H42        C 104 -11.966  -0.856   3.885
  815    H5     C 104           H5         C 104 -11.982  -0.348   6.306
  816    H6     C 104           H6         C 104 -11.388   1.314   7.960
  817    H5'    A 105           H5'        A 105 -15.749   6.977  10.681
  818   H5''    A 105          H5''        A 105 -14.961   8.370   9.940
  819    H4'    A 105           H4'        A 105 -14.672   8.396  12.369
  820    H3'    A 105           H3'        A 105 -12.556   8.611  10.432
  821    H2'    A 105           H2'        A 105 -11.500   6.683  11.233
  822   HO2'    A 105          HO2'        A 105 -10.760   8.750  13.042
  823    H1'    A 105           H1'        A 105 -12.647   7.469  13.947
  824    H8     A 105           H8         A 105 -11.200   4.591  11.913
  825    H61    A 105           H61        A 105 -10.252   1.860  17.421
  826    H62    A 105           H62        A 105 -10.018   1.693  15.691
  827    H2     A 105           H2         A 105 -12.386   5.688  18.092
  828    H5'    G 106           H5'        G 106 -10.885  11.932  11.167
  829   H5''    G 106          H5''        G 106 -12.018  13.284  11.047
  830    H4'    G 106           H4'        G 106 -10.488  13.566   9.231
  831    H3'    G 106           H3'        G 106 -13.127  12.384   8.358
  832    H2'    G 106           H2'        G 106 -12.335  12.077   6.173
  833   HO2'    G 106          HO2'        G 106 -11.402  14.293   6.159
  834    H1'    G 106           H1'        G 106  -9.690  11.529   6.730
  835    H8     G 106           H8         G 106 -12.890   9.946   8.333
  836    H1     G 106           H1         G 106  -9.881   6.509   3.818
  837    H21    G 106           H21        G 106  -8.159   7.666   3.052
  838    H22    G 106           H22        G 106  -7.687   9.205   3.738
  839    H5'    U 107           H5'        U 107 -14.841  17.645   6.972
  840   H5''    U 107          H5''        U 107 -15.734  16.490   7.980
  841    H4'    U 107           H4'        U 107 -14.924  14.610   6.673
  842    H3'    U 107           H3'        U 107 -12.604  15.855   6.088
  843   HO3'    U 107          HO3'        U 107 -13.209  13.771   5.378
  844    H2'    U 107           H2'        U 107 -13.516  17.790   5.092
  845   HO2'    U 107          HO2'        U 107 -12.069  16.818   3.582
  846    H1'    U 107           H1'        U 107 -15.381  16.289   3.342
  847    H3     U 107           H3         U 107 -18.566  19.758   5.177
  848    H5     U 107           H5         U 107 -15.152  21.219   3.212
  849    H6     U 107           H6         U 107 -14.233  18.980   3.266
  Start of MODEL   12
    1    H    MET   1           H1       MET   1  -6.089  21.387   6.785
    2    HA   MET   1           HA       MET   1  -4.714  19.087   7.965
    3    HB2  MET   1           HB2      MET   1  -6.515  17.704   7.172
    4    HB3  MET   1           HB3      MET   1  -7.177  18.960   8.220
    5    HG2  MET   1           HG2      MET   1  -7.153  19.069   5.177
    6    HG3  MET   1           HG3      MET   1  -8.508  18.497   6.140
    7    HE1  MET   1           HE1      MET   1 -10.121  19.923   7.488
    8    HE2  MET   1           HE2      MET   1  -8.796  20.449   8.550
    9    HE3  MET   1           HE3      MET   1  -9.909  21.651   7.846
   10    H    SER   2           H        SER   2  -4.575  17.302   6.175
   11    HA   SER   2           HA       SER   2  -3.841  18.477   3.558
   12    HB2  SER   2           HB2      SER   2  -2.006  16.718   5.242
   13    HB3  SER   2           HB3      SER   2  -1.668  17.299   3.601
   14    HG   SER   2           HG       SER   2  -0.699  18.611   5.195
   15    H    TYR   3           H        TYR   3  -5.823  16.463   4.964
   16    HA   TYR   3           HA       TYR   3  -5.699  14.431   2.812
   17    HB2  TYR   3           HB2      TYR   3  -6.038  13.796   5.772
   18    HB3  TYR   3           HB3      TYR   3  -6.123  12.638   4.454
   19    HD1  TYR   3           HD1      TYR   3  -3.874  14.763   6.473
   20    HD2  TYR   3           HD2      TYR   3  -4.122  11.856   3.308
   21    HE1  TYR   3           HE1      TYR   3  -1.422  14.481   6.549
   22    HE2  TYR   3           HE2      TYR   3  -1.677  11.519   3.416
   23    HH   TYR   3           HH       TYR   3   0.398  13.440   5.640
   24    H    GLY   4           H        GLY   4  -7.833  13.016   3.013
   25    HA2  GLY   4           HA2      GLY   4 -10.120  14.398   4.154
   26    HA3  GLY   4           HA3      GLY   4  -9.997  14.589   2.396
   27    H    ARG   5           H        ARG   5 -12.199  13.378   3.473
   28    HA   ARG   5           HA       ARG   5 -12.114  10.609   3.790
   29    HB2  ARG   5           HB2      ARG   5 -14.544  10.732   3.370
   30    HB3  ARG   5           HB3      ARG   5 -13.988  12.049   4.424
   31    HG2  ARG   5           HG2      ARG   5 -13.868  13.517   2.362
   32    HG3  ARG   5           HG3      ARG   5 -14.672  12.222   1.453
   33    HD2  ARG   5           HD2      ARG   5 -15.756  13.591   3.944
   34    HD3  ARG   5           HD3      ARG   5 -16.244  13.975   2.291
   35    HE   ARG   5           HE       ARG   5 -16.770  11.324   2.373
   36   HH11  ARG   5          HH11      ARG   5 -17.540  13.926   4.632
   37   HH12  ARG   5          HH12      ARG   5 -19.005  13.157   5.209
   38   HH21  ARG   5          HH21      ARG   5 -18.693  10.344   3.136
   39   HH22  ARG   5          HH22      ARG   5 -19.644  11.137   4.363
   40    HA   PRO   6           HA       PRO   6 -11.451   8.754  -0.145
   41    HB2  PRO   6           HB2      PRO   6 -13.922   7.151   0.532
   42    HB3  PRO   6           HB3      PRO   6 -12.321   6.564  -0.033
   43    HG2  PRO   6           HG2      PRO   6 -12.987   6.376   2.586
   44    HG3  PRO   6           HG3      PRO   6 -11.350   6.943   2.115
   45    HD2  PRO   6           HD2      PRO   6 -13.718   8.613   2.984
   46    HD3  PRO   6           HD3      PRO   6 -11.997   8.769   3.438
   47    HA   PRO   7           HA       PRO   7 -14.409  10.515  -2.994
   48    HB2  PRO   7           HB2      PRO   7 -13.915   9.092  -5.274
   49    HB3  PRO   7           HB3      PRO   7 -12.746  10.266  -4.593
   50    HG2  PRO   7           HG2      PRO   7 -12.779   7.263  -4.239
   51    HG3  PRO   7           HG3      PRO   7 -11.389   8.302  -4.693
   52    HD2  PRO   7           HD2      PRO   7 -11.813   7.489  -2.109
   53    HD3  PRO   7           HD3      PRO   7 -11.159   9.109  -2.487
   54    HA   PRO   8           HA       PRO   8 -17.965   8.036  -2.695
   55    HB2  PRO   8           HB2      PRO   8 -19.644   9.079  -4.554
   56    HB3  PRO   8           HB3      PRO   8 -18.993  10.062  -3.201
   57    HG2  PRO   8           HG2      PRO   8 -17.909   9.888  -6.031
   58    HG3  PRO   8           HG3      PRO   8 -18.317  11.369  -5.101
   59    HD2  PRO   8           HD2      PRO   8 -15.777  10.383  -5.206
   60    HD3  PRO   8           HD3      PRO   8 -16.426  11.131  -3.714
   61    H    ASP   9           H        ASP   9 -15.825   6.921  -4.690
   62    HA   ASP   9           HA       ASP   9 -17.723   5.134  -6.104
   63    HB2  ASP   9           HB2      ASP   9 -16.601   5.403  -8.183
   64    HB3  ASP   9           HB3      ASP   9 -17.040   7.010  -7.575
   65    H    VAL  10           H        VAL  10 -15.447   5.168  -3.843
   66    HA   VAL  10           HA       VAL  10 -13.560   3.198  -4.717
   67    HB   VAL  10           HB       VAL  10 -13.174   2.773  -2.317
   68   HG11  VAL  10          HG11      VAL  10 -12.395   5.003  -1.742
   69   HG12  VAL  10          HG12      VAL  10 -12.148   4.730  -3.480
   70   HG13  VAL  10          HG13      VAL  10 -13.510   5.730  -2.922
   71   HG21  VAL  10          HG21      VAL  10 -15.501   2.947  -1.505
   72   HG22  VAL  10          HG22      VAL  10 -14.413   4.034  -0.616
   73   HG23  VAL  10          HG23      VAL  10 -15.496   4.697  -1.858
   74    H    GLU  11           H        GLU  11 -16.923   2.926  -4.135
   75    HA   GLU  11           HA       GLU  11 -16.940   0.149  -3.282
   76    HB2  GLU  11           HB2      GLU  11 -19.147   1.895  -4.464
   77    HB3  GLU  11           HB3      GLU  11 -19.365   0.352  -3.604
   78    HG2  GLU  11           HG2      GLU  11 -18.290   1.366  -1.585
   79    HG3  GLU  11           HG3      GLU  11 -18.174   2.906  -2.444
   80    H    GLY  12           H        GLY  12 -15.907   1.405  -6.102
   81    HA2  GLY  12           HA2      GLY  12 -16.812  -0.945  -7.685
   82    HA3  GLY  12           HA3      GLY  12 -17.015   0.691  -8.350
   83    H    MET  13           H        MET  13 -14.226  -0.060  -6.319
   84    HA   MET  13           HA       MET  13 -12.499  -0.446  -8.700
   85    HB2  MET  13           HB2      MET  13 -12.059   1.669  -6.552
   86    HB3  MET  13           HB3      MET  13 -10.904   1.223  -7.828
   87    HG2  MET  13           HG2      MET  13 -12.626   1.843  -9.534
   88    HG3  MET  13           HG3      MET  13 -13.655   2.438  -8.223
   89    HE1  MET  13           HE1      MET  13 -11.413   3.733  -6.256
   90    HE2  MET  13           HE2      MET  13 -11.498   5.424  -6.805
   91    HE3  MET  13           HE3      MET  13 -12.989   4.476  -6.624
   92    H    THR  14           H        THR  14 -10.176  -0.885  -7.933
   93    HA   THR  14           HA       THR  14 -10.138  -3.129  -6.155
   94    HB   THR  14           HB       THR  14  -7.837  -1.431  -7.191
   95   HG21  THR  14          HG21      THR  14  -6.988  -2.964  -5.527
   96   HG22  THR  14          HG22      THR  14  -7.984  -4.293  -6.173
   97   HG23  THR  14          HG23      THR  14  -6.621  -3.648  -7.114
   98    H    SER  15           H        SER  15  -8.556  -3.192  -4.215
   99    HA   SER  15           HA       SER  15  -8.146  -0.643  -2.806
  100    HB2  SER  15           HB2      SER  15 -10.467  -1.297  -2.195
  101    HB3  SER  15           HB3      SER  15  -9.865  -2.879  -1.656
  102    HG   SER  15           HG       SER  15 -10.039  -1.380   0.061
  103    H    LEU  16           H        LEU  16  -6.184  -0.745  -1.949
  104    HA   LEU  16           HA       LEU  16  -5.158  -3.391  -1.018
  105    HB2  LEU  16           HB2      LEU  16  -4.275  -2.823  -3.305
  106    HB3  LEU  16           HB3      LEU  16  -3.585  -1.339  -2.616
  107    HG   LEU  16           HG       LEU  16  -2.474  -3.014  -0.879
  108   HD11  LEU  16          HD11      LEU  16  -2.875  -4.799  -3.320
  109   HD12  LEU  16          HD12      LEU  16  -1.992  -5.207  -1.833
  110   HD13  LEU  16          HD13      LEU  16  -3.766  -4.973  -1.796
  111   HD21  LEU  16          HD21      LEU  16  -0.550  -3.313  -2.486
  112   HD22  LEU  16          HD22      LEU  16  -1.609  -2.727  -3.774
  113   HD23  LEU  16          HD23      LEU  16  -1.180  -1.642  -2.431
  114    H    LYS  17           H        LYS  17  -5.324  -2.961   1.147
  115    HA   LYS  17           HA       LYS  17  -4.554  -0.556   2.457
  116    HB2  LYS  17           HB2      LYS  17  -5.990  -1.960   3.579
  117    HB3  LYS  17           HB3      LYS  17  -4.984  -3.408   3.318
  118    HG2  LYS  17           HG2      LYS  17  -3.388  -2.629   4.971
  119    HG3  LYS  17           HG3      LYS  17  -4.228  -1.053   5.102
  120    HD2  LYS  17           HD2      LYS  17  -6.271  -2.212   5.885
  121    HD3  LYS  17           HD3      LYS  17  -5.456  -3.772   5.691
  122    HE2  LYS  17           HE2      LYS  17  -5.490  -3.143   8.026
  123    HE3  LYS  17           HE3      LYS  17  -3.821  -3.146   7.432
  124    HZ1  LYS  17           HZ1      LYS  17  -3.931  -0.757   7.306
  125    HZ2  LYS  17           HZ2      LYS  17  -5.522  -0.757   7.737
  126    HZ3  LYS  17           HZ3      LYS  17  -4.370  -1.249   8.806
  127    H    VAL  18           H        VAL  18  -2.689   0.010   3.558
  128    HA   VAL  18           HA       VAL  18  -0.278  -1.744   3.356
  129    HB   VAL  18           HB       VAL  18  -0.505   1.256   2.946
  130   HG11  VAL  18          HG11      VAL  18   1.502   0.651   4.232
  131   HG12  VAL  18          HG12      VAL  18   1.967  -0.507   2.963
  132   HG13  VAL  18          HG13      VAL  18   1.909   1.242   2.611
  133   HG21  VAL  18          HG21      VAL  18   0.444  -0.907   1.020
  134   HG22  VAL  18          HG22      VAL  18  -1.119  -0.044   0.921
  135   HG23  VAL  18          HG23      VAL  18   0.409   0.837   0.696
  136    H    ASP  19           H        ASP  19   0.809  -1.875   5.296
  137    HA   ASP  19           HA       ASP  19   0.150  -0.116   7.551
  138    HB2  ASP  19           HB2      ASP  19  -0.839  -1.914   8.884
  139    HB3  ASP  19           HB3      ASP  19  -1.773  -1.689   7.397
  140    H    ASN  20           H        ASN  20   0.936  -1.591   9.624
  141    HA   ASN  20           HA       ASN  20   2.721  -2.142  10.839
  142    HB2  ASN  20           HB2      ASN  20   2.394  -4.155   9.068
  143    HB3  ASN  20           HB3      ASN  20   4.051  -3.682   8.660
  144   HD21  ASN  20          HD22      ASN  20   5.607  -4.678   9.834
  145   HD22  ASN  20          HD21      ASN  20   5.367  -5.417  11.407
  146    H    LEU  21           H        LEU  21   3.551  -0.036  11.050
  147    HA   LEU  21           HA       LEU  21   6.177   0.283   9.717
  148    HB2  LEU  21           HB2      LEU  21   5.665   2.735   9.398
  149    HB3  LEU  21           HB3      LEU  21   4.842   1.604   8.320
  150    HG   LEU  21           HG       LEU  21   2.790   1.758   9.707
  151   HD11  LEU  21          HD11      LEU  21   4.280   3.989  11.133
  152   HD12  LEU  21          HD12      LEU  21   2.539   3.684  11.238
  153   HD13  LEU  21          HD13      LEU  21   3.672   2.481  11.878
  154   HD21  LEU  21          HD21      LEU  21   3.095   3.125   7.707
  155   HD22  LEU  21          HD22      LEU  21   2.196   4.028   8.949
  156   HD23  LEU  21          HD23      LEU  21   3.905   4.388   8.674
  157    H    THR  22           H        THR  22   7.380   2.268  10.760
  158    HA   THR  22           HA       THR  22   7.590   1.555  13.565
  159    HB   THR  22           HB       THR  22   9.476   3.057  13.615
  160   HG21  THR  22          HG21      THR  22  10.840   2.224  11.733
  161   HG22  THR  22          HG22      THR  22   9.916   0.931  12.532
  162   HG23  THR  22          HG23      THR  22   9.366   1.579  10.967
  163    H    TYR  23           H        TYR  23   7.867   3.325  15.251
  164    HA   TYR  23           HA       TYR  23   5.535   5.033  15.270
  165    HB2  TYR  23           HB2      TYR  23   6.344   5.694  17.477
  166    HB3  TYR  23           HB3      TYR  23   6.329   3.940  17.278
  167    HD1  TYR  23           HD2      TYR  23   8.552   6.926  17.416
  168    HD2  TYR  23           HD1      TYR  23   8.300   2.633  17.488
  169    HE1  TYR  23           HE2      TYR  23  10.922   6.805  18.132
  170    HE2  TYR  23           HE1      TYR  23  10.661   2.504  18.244
  171    HH   TYR  23           HH       TYR  23  12.532   3.677  18.830
  172    H    ARG  24           H        ARG  24   8.160   5.393  13.399
  173    HA   ARG  24           HA       ARG  24   8.324   8.340  13.865
  174    HB2  ARG  24           HB2      ARG  24  10.324   6.662  12.322
  175    HB3  ARG  24           HB3      ARG  24  10.465   8.343  12.863
  176    HG2  ARG  24           HG2      ARG  24  11.849   7.226  14.312
  177    HG3  ARG  24           HG3      ARG  24  10.366   7.361  15.280
  178    HD2  ARG  24           HD2      ARG  24   9.839   5.057  14.917
  179    HD3  ARG  24           HD3      ARG  24  10.918   4.951  13.523
  180    HE   ARG  24           HE       ARG  24  11.877   5.263  16.349
  181   HH11  ARG  24          HH11      ARG  24  12.199   3.823  13.132
  182   HH12  ARG  24          HH12      ARG  24  13.637   2.928  13.568
  183   HH21  ARG  24          HH21      ARG  24  13.754   4.092  16.861
  184   HH22  ARG  24          HH22      ARG  24  14.518   3.095  15.646
  185    H    THR  25           H        THR  25   7.405   5.788  11.657
  186    HA   THR  25           HA       THR  25   7.549   7.268   9.218
  187    HB   THR  25           HB       THR  25   5.585   5.043   9.898
  188   HG21  THR  25          HG21      THR  25   6.982   5.934   7.334
  189   HG22  THR  25          HG22      THR  25   6.012   4.455   7.498
  190   HG23  THR  25          HG23      THR  25   5.239   6.038   7.678
  191    H    SER  26           H        SER  26   5.583   8.002   7.955
  192    HA   SER  26           HA       SER  26   3.456   9.153   9.672
  193    HB2  SER  26           HB2      SER  26   3.895  11.396   8.860
  194    HB3  SER  26           HB3      SER  26   5.404  10.751   9.526
  195    HG   SER  26           HG       SER  26   5.975  10.181   7.361
  196    HA   PRO  27           HA       PRO  27   1.026   8.352   6.074
  197    HB2  PRO  27           HB2      PRO  27  -0.813  10.383   5.978
  198    HB3  PRO  27           HB3      PRO  27  -0.827   9.119   7.244
  199    HG2  PRO  27           HG2      PRO  27   0.340  11.905   7.405
  200    HG3  PRO  27           HG3      PRO  27  -0.718  11.070   8.592
  201    HD2  PRO  27           HD2      PRO  27   2.005  11.183   8.856
  202    HD3  PRO  27           HD3      PRO  27   1.081   9.745   9.372
  203    H    ASP  28           H        ASP  28   2.823  11.360   6.326
  204    HA   ASP  28           HA       ASP  28   2.336  12.220   3.588
  205    HB2  ASP  28           HB2      ASP  28   2.978  13.744   5.467
  206    HB3  ASP  28           HB3      ASP  28   4.557  12.932   5.533
  207    H    THR  29           H        THR  29   4.800  10.232   5.311
  208    HA   THR  29           HA       THR  29   6.542  10.064   3.002
  209    HB   THR  29           HB       THR  29   7.062   7.725   4.161
  210   HG21  THR  29          HG21      THR  29   8.707   8.914   5.607
  211   HG22  THR  29          HG22      THR  29   8.621   9.621   3.983
  212   HG23  THR  29          HG23      THR  29   7.831  10.437   5.348
  213    H    LEU  30           H        LEU  30   3.914   7.970   4.327
  214    HA   LEU  30           HA       LEU  30   4.269   5.951   2.387
  215    HB2  LEU  30           HB2      LEU  30   1.696   6.744   3.785
  216    HB3  LEU  30           HB3      LEU  30   2.078   5.177   3.020
  217    HG   LEU  30           HG       LEU  30   3.786   6.319   5.265
  218   HD11  LEU  30          HD11      LEU  30   1.363   6.132   5.942
  219   HD12  LEU  30          HD12      LEU  30   1.411   4.413   5.495
  220   HD13  LEU  30          HD13      LEU  30   2.431   5.025   6.824
  221   HD21  LEU  30          HD21      LEU  30   3.311   3.495   4.241
  222   HD22  LEU  30          HD22      LEU  30   4.760   4.488   3.929
  223   HD23  LEU  30          HD23      LEU  30   4.384   3.960   5.580
  224    H    ARG  31           H        ARG  31   2.508   9.052   2.218
  225    HA   ARG  31           HA       ARG  31   1.097   8.460  -0.196
  226    HB2  ARG  31           HB2      ARG  31   0.468  10.406   1.081
  227    HB3  ARG  31           HB3      ARG  31   2.117  11.032   1.073
  228    HG2  ARG  31           HG2      ARG  31   0.685  12.278  -0.493
  229    HG3  ARG  31           HG3      ARG  31   1.993  11.447  -1.342
  230    HD2  ARG  31           HD2      ARG  31   0.335   9.556  -1.802
  231    HD3  ARG  31           HD3      ARG  31  -0.936  10.638  -1.208
  232    HE   ARG  31           HE       ARG  31   0.675  10.896  -3.682
  233   HH11  ARG  31          HH11      ARG  31  -1.844  12.302  -1.617
  234   HH12  ARG  31          HH12      ARG  31  -2.389  13.395  -2.866
  235   HH21  ARG  31          HH21      ARG  31  -0.035  12.305  -5.235
  236   HH22  ARG  31          HH22      ARG  31  -1.377  13.395  -4.927
  237    H    ARG  32           H        ARG  32   4.406   9.784   0.381
  238    HA   ARG  32           HA       ARG  32   4.776  10.089  -2.527
  239    HB2  ARG  32           HB2      ARG  32   5.634  11.745  -0.890
  240    HB3  ARG  32           HB3      ARG  32   6.681  10.493  -0.184
  241    HG2  ARG  32           HG2      ARG  32   7.840  10.243  -2.362
  242    HG3  ARG  32           HG3      ARG  32   6.803  11.513  -3.054
  243    HD2  ARG  32           HD2      ARG  32   7.634  13.110  -1.369
  244    HD3  ARG  32           HD3      ARG  32   8.664  11.839  -0.670
  245    HE   ARG  32           HE       ARG  32   9.278  12.031  -3.427
  246   HH11  ARG  32          HH11      ARG  32   9.564  13.983  -0.490
  247   HH12  ARG  32          HH12      ARG  32  10.987  14.831  -1.051
  248   HH21  ARG  32          HH21      ARG  32  11.131  13.161  -4.132
  249   HH22  ARG  32          HH22      ARG  32  11.870  14.371  -3.109
  250    H    VAL  33           H        VAL  33   6.133   8.033   0.069
  251    HA   VAL  33           HA       VAL  33   8.050   6.695  -1.542
  252    HB   VAL  33           HB       VAL  33   8.232   5.126   0.341
  253   HG11  VAL  33          HG11      VAL  33   9.218   7.314   0.681
  254   HG12  VAL  33          HG12      VAL  33   7.694   7.955   1.308
  255   HG13  VAL  33          HG13      VAL  33   8.542   6.673   2.198
  256   HG21  VAL  33          HG21      VAL  33   6.543   5.370   2.214
  257   HG22  VAL  33          HG22      VAL  33   5.494   6.107   0.955
  258   HG23  VAL  33          HG23      VAL  33   6.105   4.457   0.751
  259    H    PHE  34           H        PHE  34   4.558   6.197  -1.198
  260    HA   PHE  34           HA       PHE  34   4.790   3.682  -2.771
  261    HB2  PHE  34           HB2      PHE  34   2.571   4.966  -1.186
  262    HB3  PHE  34           HB3      PHE  34   2.232   3.718  -2.373
  263    HD1  PHE  34           HD1      PHE  34   3.919   4.369   0.862
  264    HD2  PHE  34           HD2      PHE  34   2.734   1.398  -2.011
  265    HE1  PHE  34           HE1      PHE  34   4.485   2.566   2.475
  266    HE2  PHE  34           HE2      PHE  34   3.247  -0.387  -0.384
  267    HZ   PHE  34           HZ       PHE  34   4.156   0.197   1.856
  268    H    GLU  35           H        GLU  35   4.070   7.092  -3.205
  269    HA   GLU  35           HA       GLU  35   2.260   6.858  -5.377
  270    HB2  GLU  35           HB2      GLU  35   2.542   8.946  -4.258
  271    HB3  GLU  35           HB3      GLU  35   4.273   9.021  -4.662
  272    HG2  GLU  35           HG2      GLU  35   3.758   9.384  -6.984
  273    HG3  GLU  35           HG3      GLU  35   2.048   8.999  -6.728
  274    H    LYS  36           H        LYS  36   5.667   6.143  -5.227
  275    HA   LYS  36           HA       LYS  36   6.208   6.560  -8.035
  276    HB2  LYS  36           HB2      LYS  36   8.328   5.539  -7.558
  277    HB3  LYS  36           HB3      LYS  36   7.864   6.560  -6.171
  278    HG2  LYS  36           HG2      LYS  36   7.119   4.560  -4.930
  279    HG3  LYS  36           HG3      LYS  36   7.541   3.533  -6.319
  280    HD2  LYS  36           HD2      LYS  36   9.319   3.432  -4.663
  281    HD3  LYS  36           HD3      LYS  36   9.909   4.247  -6.125
  282    HE2  LYS  36           HE2      LYS  36   9.536   6.447  -5.057
  283    HE3  LYS  36           HE3      LYS  36   8.921   5.644  -3.602
  284    HZ1  LYS  36           HZ1      LYS  36  11.642   5.349  -4.688
  285    HZ2  LYS  36           HZ2      LYS  36  11.225   6.253  -3.375
  286    HZ3  LYS  36           HZ3      LYS  36  11.064   4.620  -3.330
  287    H    TYR  37           H        TYR  37   4.634   4.090  -6.252
  288    HA   TYR  37           HA       TYR  37   5.035   1.972  -8.257
  289    HB2  TYR  37           HB2      TYR  37   3.304   2.165  -5.758
  290    HB3  TYR  37           HB3      TYR  37   3.472   0.710  -6.747
  291    HD1  TYR  37           HD1      TYR  37   5.368   3.075  -4.602
  292    HD2  TYR  37           HD2      TYR  37   5.258  -0.775  -6.497
  293    HE1  TYR  37           HE1      TYR  37   7.373   2.415  -3.323
  294    HE2  TYR  37           HE2      TYR  37   7.263  -1.461  -5.225
  295    HH   TYR  37           HH       TYR  37   8.951   0.742  -2.954
  296    H    GLY  38           H        GLY  38   2.933   4.670  -7.799
  297    HA2  GLY  38           HA2      GLY  38   1.449   4.816  -9.934
  298    HA3  GLY  38           HA3      GLY  38   0.654   3.418  -9.179
  299    H    ARG  39           H        ARG  39  -1.081   5.261  -9.351
  300    HA   ARG  39           HA       ARG  39  -1.029   7.350  -7.383
  301    HB2  ARG  39           HB2      ARG  39  -3.403   7.594  -7.812
  302    HB3  ARG  39           HB3      ARG  39  -2.521   7.405  -9.331
  303    HG2  ARG  39           HG2      ARG  39  -3.202   4.955  -9.333
  304    HG3  ARG  39           HG3      ARG  39  -4.213   5.306  -7.913
  305    HD2  ARG  39           HD2      ARG  39  -5.587   5.399  -9.888
  306    HD3  ARG  39           HD3      ARG  39  -5.421   7.031  -9.221
  307    HE   ARG  39           HE       ARG  39  -3.404   6.524 -11.212
  308   HH11  ARG  39          HH11      ARG  39  -6.852   7.217 -10.862
  309   HH12  ARG  39          HH12      ARG  39  -6.986   7.969 -12.432
  310   HH21  ARG  39          HH21      ARG  39  -3.605   7.527 -13.264
  311   HH22  ARG  39          HH22      ARG  39  -5.157   8.146 -13.780
  312    H    VAL  40           H        VAL  40  -0.999   7.135  -5.263
  313    HA   VAL  40           HA       VAL  40  -1.310   4.668  -3.927
  314    HB   VAL  40           HB       VAL  40  -1.301   5.907  -1.856
  315   HG11  VAL  40          HG11      VAL  40   0.764   7.169  -2.150
  316   HG12  VAL  40          HG12      VAL  40   0.806   5.705  -3.147
  317   HG13  VAL  40          HG13      VAL  40   0.480   7.277  -3.911
  318   HG21  VAL  40          HG21      VAL  40  -1.675   8.451  -3.491
  319   HG22  VAL  40          HG22      VAL  40  -2.929   7.692  -2.473
  320   HG23  VAL  40          HG23      VAL  40  -1.471   8.324  -1.724
  321    H    GLY  41           H        GLY  41  -3.695   6.802  -5.149
  322    HA2  GLY  41           HA2      GLY  41  -5.941   6.512  -5.387
  323    HA3  GLY  41           HA3      GLY  41  -5.819   5.001  -4.457
  324    H    ASP  42           H        ASP  42  -4.967   5.716  -2.024
  325    HA   ASP  42           HA       ASP  42  -6.241   8.090  -0.953
  326    HB2  ASP  42           HB2      ASP  42  -8.173   6.495  -1.197
  327    HB3  ASP  42           HB3      ASP  42  -7.302   5.327  -0.194
  328    H    VAL  43           H        VAL  43  -5.766   8.215   1.431
  329    HA   VAL  43           HA       VAL  43  -3.660   6.383   2.399
  330    HB   VAL  43           HB       VAL  43  -2.260   7.826   1.238
  331   HG11  VAL  43          HG11      VAL  43  -2.406  10.317   1.356
  332   HG12  VAL  43          HG12      VAL  43  -3.753   9.544   0.518
  333   HG13  VAL  43          HG13      VAL  43  -3.979  10.149   2.177
  334   HG21  VAL  43          HG21      VAL  43  -1.020   9.053   2.918
  335   HG22  VAL  43          HG22      VAL  43  -2.414   9.047   4.019
  336   HG23  VAL  43          HG23      VAL  43  -1.597   7.521   3.602
  337    H    TYR  44           H        TYR  44  -4.190   5.869   4.425
  338    HA   TYR  44           HA       TYR  44  -5.168   8.013   6.218
  339    HB2  TYR  44           HB2      TYR  44  -7.104   6.782   5.118
  340    HB3  TYR  44           HB3      TYR  44  -6.631   5.399   6.124
  341    HD1  TYR  44           HD2      TYR  44  -6.883   9.132   6.562
  342    HD2  TYR  44           HD1      TYR  44  -7.950   5.252   8.076
  343    HE1  TYR  44           HE2      TYR  44  -7.982  10.202   8.494
  344    HE2  TYR  44           HE1      TYR  44  -9.120   6.319   9.989
  345    HH   TYR  44           HH       TYR  44  -9.639   8.319  11.044
  346    H    ILE  45           H        ILE  45  -5.203   7.364   8.466
  347    HA   ILE  45           HA       ILE  45  -3.635   4.986   9.247
  348    HB   ILE  45           HB       ILE  45  -2.979   7.832  10.076
  349   HG12  ILE  45          HG12      ILE  45  -1.340   5.564   8.842
  350   HG13  ILE  45          HG13      ILE  45  -1.913   7.015   7.986
  351   HG21  ILE  45          HG21      ILE  45  -2.022   5.165  11.217
  352   HG22  ILE  45          HG22      ILE  45  -1.397   6.770  11.682
  353   HG23  ILE  45          HG23      ILE  45  -3.063   6.322  12.058
  354   HD11  ILE  45          HD11      ILE  45   0.112   6.910  10.257
  355   HD12  ILE  45          HD12      ILE  45   0.405   7.348   8.565
  356   HD13  ILE  45          HD13      ILE  45  -0.580   8.414   9.591
  357    HA   PRO  46           HA       PRO  46  -7.662   5.274  11.359
  358    HB2  PRO  46           HB2      PRO  46  -6.941   2.418  11.880
  359    HB3  PRO  46           HB3      PRO  46  -8.465   3.105  11.239
  360    HG2  PRO  46           HG2      PRO  46  -6.696   1.828   9.609
  361    HG3  PRO  46           HG3      PRO  46  -7.549   3.310   9.062
  362    HD2  PRO  46           HD2      PRO  46  -4.736   3.077  10.133
  363    HD3  PRO  46           HD3      PRO  46  -5.355   3.997   8.725
  364    H    ARG  47           H        ARG  47  -4.813   5.642  12.688
  365    HA   ARG  47           HA       ARG  47  -4.457   4.166  14.971
  366    HB2  ARG  47           HB2      ARG  47  -3.300   6.174  15.889
  367    HB3  ARG  47           HB3      ARG  47  -2.835   5.703  14.244
  368    HG2  ARG  47           HG2      ARG  47  -4.381   7.507  13.367
  369    HG3  ARG  47           HG3      ARG  47  -4.608   8.053  15.039
  370    HD2  ARG  47           HD2      ARG  47  -2.254   8.547  15.272
  371    HD3  ARG  47           HD3      ARG  47  -1.878   7.745  13.734
  372    HE   ARG  47           HE       ARG  47  -3.717   9.735  13.088
  373   HH11  ARG  47          HH11      ARG  47  -0.491   9.619  14.541
  374   HH12  ARG  47          HH12      ARG  47  -0.016  11.164  13.881
  375   HH21  ARG  47          HH21      ARG  47  -3.061  11.767  12.262
  376   HH22  ARG  47          HH22      ARG  47  -1.466  12.381  12.621
  377    H    ASP  48           H        ASP  48  -6.163   7.330  15.084
  378    HA   ASP  48           HA       ASP  48  -8.312   6.270  16.725
  379    HB2  ASP  48           HB2      ASP  48  -6.378   6.582  18.343
  380    HB3  ASP  48           HB3      ASP  48  -6.387   8.299  17.932
  381    H    ARG  49           H        ARG  49  -9.675   8.407  17.456
  382    HA   ARG  49           HA       ARG  49  -9.398  10.396  15.272
  383    HB2  ARG  49           HB2      ARG  49 -11.567  10.198  14.536
  384    HB3  ARG  49           HB3      ARG  49 -11.133   8.517  14.847
  385    HG2  ARG  49           HG2      ARG  49 -12.325   8.666  17.061
  386    HG3  ARG  49           HG3      ARG  49 -12.760  10.345  16.673
  387    HD2  ARG  49           HD2      ARG  49 -13.731   9.339  14.465
  388    HD3  ARG  49           HD3      ARG  49 -13.692   7.806  15.338
  389    HE   ARG  49           HE       ARG  49 -15.367   8.581  16.796
  390   HH11  ARG  49          HH11      ARG  49 -14.348  11.122  14.542
  391   HH12  ARG  49          HH12      ARG  49 -15.729  12.136  14.876
  392   HH21  ARG  49          HH21      ARG  49 -17.189   9.921  17.171
  393   HH22  ARG  49          HH22      ARG  49 -17.330  11.460  16.358
  394    H    TYR  50           H        TYR  50  -9.129  10.094  18.426
  395    HA   TYR  50           HA       TYR  50 -10.343  12.777  18.953
  396    HB2  TYR  50           HB2      TYR  50 -10.035  10.647  21.060
  397    HB3  TYR  50           HB3      TYR  50 -10.993  12.123  21.134
  398    HD1  TYR  50           HD1      TYR  50 -13.144  12.243  19.775
  399    HD2  TYR  50           HD2      TYR  50 -10.895   8.614  20.293
  400    HE1  TYR  50           HE1      TYR  50 -15.157  10.917  19.187
  401    HE2  TYR  50           HE2      TYR  50 -12.889   7.276  19.720
  402    HH   TYR  50           HH       TYR  50 -16.053   8.808  18.963
  403    H    THR  51           H        THR  51  -7.613  10.587  19.216
  404    HA   THR  51           HA       THR  51  -6.079  12.738  20.606
  405    HB   THR  51           HB       THR  51  -4.946  11.089  21.939
  406   HG21  THR  51          HG21      THR  51  -6.753  10.207  23.317
  407   HG22  THR  51          HG22      THR  51  -7.227  11.821  22.732
  408   HG23  THR  51          HG23      THR  51  -7.908  10.360  21.981
  409    H    LYS  52           H        LYS  52  -6.276  10.264  18.145
  410    HA   LYS  52           HA       LYS  52  -4.895   9.540  16.530
  411    HB2  LYS  52           HB2      LYS  52  -4.150  12.485  16.530
  412    HB3  LYS  52           HB3      LYS  52  -3.853  11.356  15.203
  413    HG2  LYS  52           HG2      LYS  52  -6.310  10.902  15.070
  414    HG3  LYS  52           HG3      LYS  52  -6.574  12.126  16.335
  415    HD2  LYS  52           HD2      LYS  52  -5.520  13.843  14.893
  416    HD3  LYS  52           HD3      LYS  52  -5.232  12.621  13.643
  417    HE2  LYS  52           HE2      LYS  52  -7.216  13.847  13.035
  418    HE3  LYS  52           HE3      LYS  52  -7.702  12.213  13.520
  419    HZ1  LYS  52           HZ1      LYS  52  -7.834  14.616  15.212
  420    HZ2  LYS  52           HZ2      LYS  52  -9.117  13.905  14.464
  421    HZ3  LYS  52           HZ3      LYS  52  -8.320  13.103  15.656
  422    H    GLU  53           H        GLU  53  -3.710   8.395  18.444
  423    HA   GLU  53           HA       GLU  53  -0.830   9.269  18.362
  424    HB2  GLU  53           HB2      GLU  53  -2.194   7.999  20.760
  425    HB3  GLU  53           HB3      GLU  53  -0.545   8.654  20.659
  426    HG2  GLU  53           HG2      GLU  53  -1.584  10.910  20.160
  427    HG3  GLU  53           HG3      GLU  53  -3.154  10.168  20.516
  428    H    SER  54           H        SER  54  -3.054   6.642  18.071
  429    HA   SER  54           HA       SER  54  -1.126   4.536  18.552
  430    HB2  SER  54           HB2      SER  54  -3.631   4.385  18.894
  431    HB3  SER  54           HB3      SER  54  -3.800   4.349  17.128
  432    HG   SER  54           HG       SER  54  -3.699   2.250  18.102
  433    H    ARG  55           H        ARG  55  -0.026   6.320  16.722
  434    HA   ARG  55           HA       ARG  55  -0.500   5.734  13.982
  435    HB2  ARG  55           HB2      ARG  55   1.384   7.188  13.588
  436    HB3  ARG  55           HB3      ARG  55   0.410   7.846  14.919
  437    HG2  ARG  55           HG2      ARG  55   2.023   6.890  16.562
  438    HG3  ARG  55           HG3      ARG  55   2.992   6.247  15.221
  439    HD2  ARG  55           HD2      ARG  55   3.237   8.573  14.332
  440    HD3  ARG  55           HD3      ARG  55   2.391   9.182  15.764
  441    HE   ARG  55           HE       ARG  55   5.135   8.172  15.581
  442   HH11  ARG  55          HH11      ARG  55   2.457   8.909  17.771
  443   HH12  ARG  55          HH12      ARG  55   3.503   9.087  19.162
  444   HH21  ARG  55          HH21      ARG  55   6.451   8.391  17.391
  445   HH22  ARG  55          HH22      ARG  55   5.765   8.788  18.950
  446    H    GLY  56           H        GLY  56   0.437   3.366  15.846
  447    HA2  GLY  56           HA2      GLY  56   3.012   2.585  14.859
  448    HA3  GLY  56           HA3      GLY  56   1.848   1.566  15.728
  449    H    PHE  57           H        PHE  57   0.203   2.829  13.062
  450    HA   PHE  57           HA       PHE  57   1.179   0.919  11.070
  451    HB2  PHE  57           HB2      PHE  57  -0.804  -0.416  10.978
  452    HB3  PHE  57           HB3      PHE  57  -0.227  -0.447  12.646
  453    HD1  PHE  57           HD1      PHE  57  -1.354   1.086  14.359
  454    HD2  PHE  57           HD2      PHE  57  -2.945   0.360  10.433
  455    HE1  PHE  57           HE1      PHE  57  -3.555   1.943  15.097
  456    HE2  PHE  57           HE2      PHE  57  -5.132   1.234  11.147
  457    HZ   PHE  57           HZ       PHE  57  -5.460   2.010  13.504
  458    H    ALA  58           H        ALA  58  -0.828   0.858   9.306
  459    HA   ALA  58           HA       ALA  58  -1.973   3.530   8.960
  460    HB1  ALA  58           HB1      ALA  58  -0.822   3.886   6.778
  461    HB2  ALA  58           HB2      ALA  58   0.323   3.844   8.132
  462    HB3  ALA  58           HB3      ALA  58   0.154   2.426   7.073
  463    H    PHE  59           H        PHE  59  -2.878   3.619   6.591
  464    HA   PHE  59           HA       PHE  59  -3.886   1.073   5.519
  465    HB2  PHE  59           HB2      PHE  59  -5.351   1.871   7.466
  466    HB3  PHE  59           HB3      PHE  59  -5.851   3.198   6.412
  467    HD1  PHE  59           HD2      PHE  59  -5.657   1.214   3.831
  468    HD2  PHE  59           HD1      PHE  59  -7.646   1.126   7.650
  469    HE1  PHE  59           HE2      PHE  59  -7.363  -0.311   2.911
  470    HE2  PHE  59           HE1      PHE  59  -9.335  -0.409   6.726
  471    HZ   PHE  59           HZ       PHE  59  -9.166  -1.185   4.365
  472    H    VAL  60           H        VAL  60  -2.128   2.429   4.093
  473    HA   VAL  60           HA       VAL  60  -3.403   4.440   2.395
  474    HB   VAL  60           HB       VAL  60  -1.152   2.550   1.590
  475   HG11  VAL  60          HG11      VAL  60  -2.142   3.860  -0.242
  476   HG12  VAL  60          HG12      VAL  60  -1.860   5.364   0.680
  477   HG13  VAL  60          HG13      VAL  60  -0.492   4.389   0.113
  478   HG21  VAL  60          HG21      VAL  60  -0.519   3.656   3.711
  479   HG22  VAL  60          HG22      VAL  60   0.398   4.310   2.338
  480   HG23  VAL  60          HG23      VAL  60  -0.960   5.240   3.019
  481    H    ARG  61           H        ARG  61  -4.341   3.969   0.195
  482    HA   ARG  61           HA       ARG  61  -5.094   1.124  -0.206
  483    HB2  ARG  61           HB2      ARG  61  -6.833   1.767   1.233
  484    HB3  ARG  61           HB3      ARG  61  -6.994   3.360   0.480
  485    HG2  ARG  61           HG2      ARG  61  -7.910   2.364  -1.559
  486    HG3  ARG  61           HG3      ARG  61  -7.632   0.731  -0.931
  487    HD2  ARG  61           HD2      ARG  61 -10.015   1.626  -0.732
  488    HD3  ARG  61           HD3      ARG  61  -9.280   0.995   0.755
  489    HE   ARG  61           HE       ARG  61  -8.838   3.840   0.501
  490   HH11  ARG  61          HH11      ARG  61 -11.423   1.538   1.165
  491   HH12  ARG  61          HH12      ARG  61 -12.105   2.497   2.458
  492   HH21  ARG  61          HH21      ARG  61  -9.778   5.115   2.114
  493   HH22  ARG  61          HH22      ARG  61 -11.186   4.551   2.981
  494    H    PHE  62           H        PHE  62  -4.256   0.862  -2.170
  495    HA   PHE  62           HA       PHE  62  -4.471   2.872  -4.281
  496    HB2  PHE  62           HB2      PHE  62  -3.768  -0.091  -4.317
  497    HB3  PHE  62           HB3      PHE  62  -3.704   0.959  -5.725
  498    HD1  PHE  62           HD2      PHE  62  -2.213   0.512  -2.310
  499    HD2  PHE  62           HD1      PHE  62  -1.823   2.275  -6.214
  500    HE1  PHE  62           HE2      PHE  62   0.150   1.075  -1.823
  501    HE2  PHE  62           HE1      PHE  62   0.543   2.820  -5.726
  502    HZ   PHE  62           HZ       PHE  62   1.543   2.191  -3.555
  503    H    HIS  63           H        HIS  63  -5.621   2.410  -6.351
  504    HA   HIS  63           HA       HIS  63  -8.168   0.915  -5.917
  505    HB2  HIS  63           HB2      HIS  63  -7.815   3.597  -7.293
  506    HB3  HIS  63           HB3      HIS  63  -9.324   2.693  -7.169
  507    HD2  HIS  63           HD2      HIS  63  -7.840   5.567  -5.738
  508    HE1  HIS  63           HE1      HIS  63  -9.880   3.922  -2.384
  509    HE2  HIS  63           HE2      HIS  63  -8.747   6.010  -3.312
  510    H    ASP  64           H        ASP  64  -5.374   0.970  -7.690
  511    HA   ASP  64           HA       ASP  64  -6.775  -0.159 -10.075
  512    HB2  ASP  64           HB2      ASP  64  -5.644   2.005 -10.557
  513    HB3  ASP  64           HB3      ASP  64  -4.114   1.309  -9.994
  514    H    LYS  65           H        LYS  65  -6.212  -2.204 -10.610
  515    HA   LYS  65           HA       LYS  65  -4.978  -3.739  -8.558
  516    HB2  LYS  65           HB2      LYS  65  -5.376  -5.640 -10.010
  517    HB3  LYS  65           HB3      LYS  65  -6.792  -4.575  -9.978
  518    HG2  LYS  65           HG2      LYS  65  -6.110  -3.589 -12.154
  519    HG3  LYS  65           HG3      LYS  65  -4.681  -4.636 -12.178
  520    HD2  LYS  65           HD2      LYS  65  -7.572  -5.602 -12.143
  521    HD3  LYS  65           HD3      LYS  65  -6.516  -5.530 -13.571
  522    HE2  LYS  65           HE2      LYS  65  -4.914  -7.065 -12.440
  523    HE3  LYS  65           HE3      LYS  65  -6.010  -7.175 -11.060
  524    HZ1  LYS  65           HZ1      LYS  65  -6.637  -8.003 -13.818
  525    HZ2  LYS  65           HZ2      LYS  65  -6.289  -9.011 -12.572
  526    HZ3  LYS  65           HZ3      LYS  65  -7.664  -8.109 -12.532
  527    H    ARG  66           H        ARG  66  -3.528  -2.188 -11.365
  528    HA   ARG  66           HA       ARG  66  -1.255  -4.063 -11.439
  529    HB2  ARG  66           HB2      ARG  66  -1.691  -1.301 -12.671
  530    HB3  ARG  66           HB3      ARG  66  -0.377  -2.427 -13.097
  531    HG2  ARG  66           HG2      ARG  66  -1.912  -4.025 -13.957
  532    HG3  ARG  66           HG3      ARG  66  -3.315  -3.149 -13.281
  533    HD2  ARG  66           HD2      ARG  66  -1.456  -1.926 -15.342
  534    HD3  ARG  66           HD3      ARG  66  -2.949  -2.802 -15.775
  535    HE   ARG  66           HE       ARG  66  -3.600  -0.855 -13.817
  536   HH11  ARG  66          HH11      ARG  66  -2.477  -0.963 -17.171
  537   HH12  ARG  66          HH12      ARG  66  -3.268   0.538 -17.595
  538   HH21  ARG  66          HH21      ARG  66  -4.654   1.050 -14.414
  539   HH22  ARG  66          HH22      ARG  66  -4.473   1.700 -16.029
  540    H    ASP  67           H        ASP  67  -1.947  -0.729 -10.567
  541    HA   ASP  67           HA       ASP  67   0.600  -0.045  -9.463
  542    HB2  ASP  67           HB2      ASP  67  -2.173   0.975  -8.731
  543    HB3  ASP  67           HB3      ASP  67  -0.647   1.718  -8.241
  544    H    ALA  68           H        ALA  68  -2.151  -1.878  -8.262
  545    HA   ALA  68           HA       ALA  68  -1.226  -1.854  -5.504
  546    HB1  ALA  68           HB1      ALA  68  -3.455  -3.344  -6.964
  547    HB2  ALA  68           HB2      ALA  68  -3.218  -3.354  -5.205
  548    HB3  ALA  68           HB3      ALA  68  -3.624  -1.836  -6.049
  549    H    GLU  69           H        GLU  69  -1.381  -4.298  -8.219
  550    HA   GLU  69           HA       GLU  69  -0.372  -6.405  -6.552
  551    HB2  GLU  69           HB2      GLU  69  -0.526  -6.017  -9.561
  552    HB3  GLU  69           HB3      GLU  69   0.246  -7.431  -8.822
  553    HG2  GLU  69           HG2      GLU  69  -1.818  -7.974  -7.605
  554    HG3  GLU  69           HG3      GLU  69  -2.628  -6.566  -8.296
  555    H    ASP  70           H        ASP  70   1.233  -3.937  -8.621
  556    HA   ASP  70           HA       ASP  70   3.868  -5.048  -8.225
  557    HB2  ASP  70           HB2      ASP  70   2.874  -2.239  -8.833
  558    HB3  ASP  70           HB3      ASP  70   4.583  -2.679  -8.719
  559    H    ALA  71           H        ALA  71   1.880  -2.674  -6.395
  560    HA   ALA  71           HA       ALA  71   3.942  -1.764  -4.696
  561    HB1  ALA  71           HB1      ALA  71   0.944  -1.976  -4.239
  562    HB2  ALA  71           HB2      ALA  71   2.069  -1.047  -3.220
  563    HB3  ALA  71           HB3      ALA  71   1.822  -0.584  -4.919
  564    H    MET  72           H        MET  72   1.876  -4.691  -4.464
  565    HA   MET  72           HA       MET  72   2.935  -5.162  -1.750
  566    HB2  MET  72           HB2      MET  72   1.446  -7.028  -1.631
  567    HB3  MET  72           HB3      MET  72   0.547  -5.702  -2.398
  568    HG2  MET  72           HG2      MET  72   1.222  -6.654  -4.620
  569    HG3  MET  72           HG3      MET  72   1.902  -8.046  -3.774
  570    HE1  MET  72           HE1      MET  72  -1.177  -9.556  -5.547
  571    HE2  MET  72           HE2      MET  72  -0.019  -8.321  -6.108
  572    HE3  MET  72           HE3      MET  72   0.564  -9.727  -5.187
  573    H    ASP  73           H        ASP  73   3.540  -6.190  -5.078
  574    HA   ASP  73           HA       ASP  73   5.078  -8.518  -4.412
  575    HB2  ASP  73           HB2      ASP  73   4.031  -8.100  -6.621
  576    HB3  ASP  73           HB3      ASP  73   5.120  -6.732  -6.880
  577    H    ALA  74           H        ALA  74   5.705  -5.186  -3.979
  578    HA   ALA  74           HA       ALA  74   8.633  -5.768  -3.738
  579    HB1  ALA  74           HB1      ALA  74   8.215  -4.482  -5.762
  580    HB2  ALA  74           HB2      ALA  74   7.196  -3.359  -4.847
  581    HB3  ALA  74           HB3      ALA  74   8.967  -3.412  -4.549
  582    H    MET  75           H        MET  75   5.831  -4.671  -2.073
  583    HA   MET  75           HA       MET  75   7.640  -3.535   0.039
  584    HB2  MET  75           HB2      MET  75   4.735  -2.909  -0.559
  585    HB3  MET  75           HB3      MET  75   5.557  -2.411   0.911
  586    HG2  MET  75           HG2      MET  75   6.821  -1.678  -1.721
  587    HG3  MET  75           HG3      MET  75   5.350  -0.846  -1.221
  588    HE1  MET  75           HE1      MET  75   7.362   2.096  -0.159
  589    HE2  MET  75           HE2      MET  75   7.515   1.171  -1.668
  590    HE3  MET  75           HE3      MET  75   5.913   1.426  -0.949
  591    H    ASP  76           H        ASP  76   5.161  -6.076  -0.615
  592    HA   ASP  76           HA       ASP  76   4.526  -6.412   2.144
  593    HB2  ASP  76           HB2      ASP  76   3.166  -7.367   0.305
  594    HB3  ASP  76           HB3      ASP  76   4.503  -8.462  -0.097
  595    H    GLY  77           H        GLY  77   5.667  -7.244   3.771
  596    HA2  GLY  77           HA2      GLY  77   7.133  -8.610   4.922
  597    HA3  GLY  77           HA3      GLY  77   7.554  -9.423   3.406
  598    H    ALA  78           H        ALA  78   7.879  -6.104   2.901
  599    HA   ALA  78           HA       ALA  78  10.743  -6.221   2.820
  600    HB1  ALA  78           HB1      ALA  78   9.391  -4.884   1.271
  601    HB2  ALA  78           HB2      ALA  78   8.808  -3.878   2.612
  602    HB3  ALA  78           HB3      ALA  78  10.528  -3.851   2.160
  603    H    VAL  79           H        VAL  79  11.795  -4.008   3.789
  604    HA   VAL  79           HA       VAL  79  11.156  -3.826   6.694
  605    HB   VAL  79           HB       VAL  79  13.890  -4.411   5.489
  606   HG11  VAL  79          HG11      VAL  79  14.105  -2.962   7.431
  607   HG12  VAL  79          HG12      VAL  79  12.987  -3.999   8.364
  608   HG13  VAL  79          HG13      VAL  79  14.588  -4.608   7.876
  609   HG21  VAL  79          HG21      VAL  79  12.494  -6.429   5.519
  610   HG22  VAL  79          HG22      VAL  79  13.719  -6.521   6.796
  611   HG23  VAL  79          HG23      VAL  79  12.036  -6.119   7.203
  612    H    LEU  80           H        LEU  80  11.855  -1.890   7.650
  613    HA   LEU  80           HA       LEU  80  12.658   0.269   5.727
  614    HB2  LEU  80           HB2      LEU  80  10.408   0.648   6.409
  615    HB3  LEU  80           HB3      LEU  80  10.767   0.210   8.091
  616    HG   LEU  80           HG       LEU  80  12.169   2.221   8.349
  617   HD11  LEU  80          HD11      LEU  80  12.120   3.972   6.601
  618   HD12  LEU  80          HD12      LEU  80  12.916   2.490   6.021
  619   HD13  LEU  80          HD13      LEU  80  11.253   2.856   5.512
  620   HD21  LEU  80          HD21      LEU  80   9.386   2.758   7.248
  621   HD22  LEU  80          HD22      LEU  80   9.790   2.247   8.905
  622   HD23  LEU  80          HD23      LEU  80  10.330   3.837   8.310
  623    H    ASP  81           H        ASP  81  12.651  -0.520   9.247
  624    HA   ASP  81           HA       ASP  81  15.427   0.575   9.361
  625    HB2  ASP  81           HB2      ASP  81  13.744   2.223  10.170
  626    HB3  ASP  81           HB3      ASP  81  13.208   1.062  11.382
  627    H    GLY  82           H        GLY  82  13.542  -2.134   9.774
  628    HA2  GLY  82           HA2      GLY  82  15.227  -3.975  10.517
  629    HA3  GLY  82           HA3      GLY  82  15.062  -3.180  12.100
  630    H    ARG  83           H        ARG  83  12.132  -2.597  11.029
  631    HA   ARG  83           HA       ARG  83  10.917  -4.959  12.312
  632    HB2  ARG  83           HB2      ARG  83   8.913  -3.686  12.281
  633    HB3  ARG  83           HB3      ARG  83  10.205  -2.634  12.859
  634    HG2  ARG  83           HG2      ARG  83  10.347  -1.498  10.711
  635    HG3  ARG  83           HG3      ARG  83   9.246  -2.653   9.951
  636    HD2  ARG  83           HD2      ARG  83   8.537  -0.694  12.150
  637    HD3  ARG  83           HD3      ARG  83   8.033  -0.641  10.446
  638    HE   ARG  83           HE       ARG  83   6.718  -2.656  10.806
  639   HH11  ARG  83          HH11      ARG  83   7.828  -0.986  13.731
  640   HH12  ARG  83          HH12      ARG  83   6.498  -1.580  14.706
  641   HH21  ARG  83          HH21      ARG  83   5.024  -3.437  12.141
  642   HH22  ARG  83          HH22      ARG  83   4.919  -2.938  13.809
  643    H    GLU  84           H        GLU  84   8.475  -4.691  10.853
  644    HA   GLU  84           HA       GLU  84   9.195  -5.862   8.185
  645    HB2  GLU  84           HB2      GLU  84   7.051  -6.669  10.181
  646    HB3  GLU  84           HB3      GLU  84   7.027  -7.160   8.477
  647    HG2  GLU  84           HG2      GLU  84   9.257  -8.218   8.772
  648    HG3  GLU  84           HG3      GLU  84   9.243  -7.726  10.477
  649    H    LEU  85           H        LEU  85   7.643  -5.470   6.517
  650    HA   LEU  85           HA       LEU  85   5.829  -3.145   6.984
  651    HB2  LEU  85           HB2      LEU  85   7.597  -3.790   4.586
  652    HB3  LEU  85           HB3      LEU  85   6.407  -2.477   4.643
  653    HG   LEU  85           HG       LEU  85   8.902  -2.736   6.367
  654   HD11  LEU  85          HD11      LEU  85   9.663  -0.786   5.038
  655   HD12  LEU  85          HD12      LEU  85   9.329  -2.178   4.002
  656   HD13  LEU  85          HD13      LEU  85   8.156  -0.840   4.096
  657   HD21  LEU  85          HD21      LEU  85   8.357  -0.402   7.074
  658   HD22  LEU  85          HD22      LEU  85   6.796  -0.524   6.222
  659   HD23  LEU  85          HD23      LEU  85   7.145  -1.572   7.619
  660    H    ARG  86           H        ARG  86   3.881  -3.192   5.675
  661    HA   ARG  86           HA       ARG  86   3.266  -5.845   4.472
  662    HB2  ARG  86           HB2      ARG  86   1.919  -4.571   6.880
  663    HB3  ARG  86           HB3      ARG  86   1.128  -5.825   5.931
  664    HG2  ARG  86           HG2      ARG  86   3.800  -6.084   7.380
  665    HG3  ARG  86           HG3      ARG  86   2.258  -6.755   7.940
  666    HD2  ARG  86           HD2      ARG  86   2.157  -8.296   6.080
  667    HD3  ARG  86           HD3      ARG  86   3.534  -7.518   5.278
  668    HE   ARG  86           HE       ARG  86   4.228  -8.478   7.912
  669   HH11  ARG  86          HH11      ARG  86   3.762  -9.427   4.533
  670   HH12  ARG  86          HH12      ARG  86   4.856 -10.786   4.646
  671   HH21  ARG  86          HH21      ARG  86   5.741 -10.192   7.991
  672   HH22  ARG  86          HH22      ARG  86   5.955 -11.228   6.602
  673    H    VAL  87           H        VAL  87   1.603  -5.939   3.112
  674    HA   VAL  87           HA       VAL  87  -0.195  -3.741   2.595
  675    HB   VAL  87           HB       VAL  87   1.641  -2.696   1.524
  676   HG11  VAL  87          HG11      VAL  87   2.251  -5.378   0.241
  677   HG12  VAL  87          HG12      VAL  87   3.023  -3.833  -0.181
  678   HG13  VAL  87          HG13      VAL  87   3.245  -4.509   1.444
  679   HG21  VAL  87          HG21      VAL  87  -0.448  -2.786   0.178
  680   HG22  VAL  87          HG22      VAL  87   1.014  -2.695  -0.830
  681   HG23  VAL  87          HG23      VAL  87   0.170  -4.249  -0.631
  682    H    GLN  88           H        GLN  88  -2.024  -4.673   1.773
  683    HA   GLN  88           HA       GLN  88  -1.986  -6.884  -0.086
  684    HB2  GLN  88           HB2      GLN  88  -3.136  -8.508   1.369
  685    HB3  GLN  88           HB3      GLN  88  -1.495  -8.194   1.931
  686    HG2  GLN  88           HG2      GLN  88  -3.943  -6.794   3.086
  687    HG3  GLN  88           HG3      GLN  88  -3.311  -8.311   3.725
  688   HE21  GLN  88          HE22      GLN  88  -3.381  -5.168   4.447
  689   HE22  GLN  88          HE21      GLN  88  -1.800  -4.968   5.182
  690    H    MET  89           H        MET  89  -4.316  -7.674  -0.471
  691    HA   MET  89           HA       MET  89  -5.926  -5.394  -1.000
  692    HB2  MET  89           HB2      MET  89  -6.485  -8.379  -1.048
  693    HB3  MET  89           HB3      MET  89  -7.686  -7.164  -1.509
  694    HG2  MET  89           HG2      MET  89  -6.577  -7.884  -3.518
  695    HG3  MET  89           HG3      MET  89  -6.121  -6.221  -3.169
  696    HE1  MET  89           HE1      MET  89  -4.164  -6.019  -4.688
  697    HE2  MET  89           HE2      MET  89  -2.858  -7.203  -4.869
  698    HE3  MET  89           HE3      MET  89  -4.522  -7.624  -5.360
  699    H    ALA  90           H        ALA  90  -7.943  -4.755  -0.168
  700    HA   ALA  90           HA       ALA  90  -8.016  -4.794   2.716
  701    HB1  ALA  90           HB1      ALA  90  -9.938  -3.291   2.420
  702    HB2  ALA  90           HB2      ALA  90  -8.585  -2.811   1.382
  703    HB3  ALA  90           HB3      ALA  90  -9.978  -3.674   0.682
  704    H    ARG  91           H        ARG  91 -10.343  -4.986   3.732
  705    HA   ARG  91           HA       ARG  91 -11.632  -7.537   2.831
  706    HB2  ARG  91           HB2      ARG  91 -11.096  -6.552   5.659
  707    HB3  ARG  91           HB3      ARG  91 -11.998  -8.013   5.232
  708    HG2  ARG  91           HG2      ARG  91  -9.999  -9.000   4.223
  709    HG3  ARG  91           HG3      ARG  91  -9.085  -7.503   4.500
  710    HD2  ARG  91           HD2      ARG  91  -8.563  -9.135   6.259
  711    HD3  ARG  91           HD3      ARG  91  -9.414  -7.737   6.940
  712    HE   ARG  91           HE       ARG  91 -11.203  -9.913   6.208
  713   HH11  ARG  91          HH11      ARG  91  -9.052  -8.695   8.735
  714   HH12  ARG  91          HH12      ARG  91  -9.882  -9.560  10.012
  715   HH21  ARG  91          HH21      ARG  91 -12.260 -11.017   7.884
  716   HH22  ARG  91          HH22      ARG  91 -11.684 -10.874   9.530
  717    H    TYR  92           H        TYR  92 -12.004  -4.223   3.458
  718    HA   TYR  92           HA       TYR  92 -14.944  -4.399   3.384
  719    HB2  TYR  92           HB2      TYR  92 -13.450  -2.897   5.567
  720    HB3  TYR  92           HB3      TYR  92 -15.198  -2.969   5.344
  721    HD1  TYR  92           HD1      TYR  92 -16.378  -5.221   5.660
  722    HD2  TYR  92           HD2      TYR  92 -12.313  -4.503   6.859
  723    HE1  TYR  92           HE1      TYR  92 -16.475  -7.198   7.158
  724    HE2  TYR  92           HE2      TYR  92 -12.402  -6.477   8.363
  725    HH   TYR  92           HH       TYR  92 -15.342  -8.502   8.655
  726    H    GLY  93           H        GLY  93 -15.766  -1.962   3.449
  727    HA2  GLY  93           HA2      GLY  93 -13.966  -0.356   1.686
  728    HA3  GLY  93           HA3      GLY  93 -15.736  -0.193   1.829
  729    H    ARG  94           H        ARG  94 -16.145  -0.135   4.546
  730    HA   ARG  94           HA       ARG  94 -14.308   1.557   5.982
  731    HB2  ARG  94           HB2      ARG  94 -17.061   2.598   5.166
  732    HB3  ARG  94           HB3      ARG  94 -16.073   3.287   6.462
  733    HG2  ARG  94           HG2      ARG  94 -14.225   3.645   4.761
  734    HG3  ARG  94           HG3      ARG  94 -15.400   3.157   3.516
  735    HD2  ARG  94           HD2      ARG  94 -15.347   5.539   3.606
  736    HD3  ARG  94           HD3      ARG  94 -16.909   4.968   4.272
  737    HE   ARG  94           HE       ARG  94 -14.987   5.353   6.360
  738   HH11  ARG  94          HH11      ARG  94 -17.059   7.175   4.152
  739   HH12  ARG  94          HH12      ARG  94 -17.176   8.555   5.221
  740   HH21  ARG  94          HH21      ARG  94 -15.107   7.175   7.693
  741   HH22  ARG  94          HH22      ARG  94 -16.073   8.555   7.232
  742    HA   PRO  95           HA       PRO  95 -16.131  -0.649   9.393
  743    HB2  PRO  95           HB2      PRO  95 -16.238   2.069  10.675
  744    HB3  PRO  95           HB3      PRO  95 -15.552   0.545  11.330
  745    HG2  PRO  95           HG2      PRO  95 -13.922   2.509  10.350
  746    HG3  PRO  95           HG3      PRO  95 -13.574   0.783   9.991
  747    HD2  PRO  95           HD2      PRO  95 -14.779   2.795   8.160
  748    HD3  PRO  95           HD3      PRO  95 -13.679   1.429   7.838
  749    HA   PRO  96           HA       PRO  96 -20.528   0.299   9.223
  750    HB2  PRO  96           HB2      PRO  96 -21.453  -1.081  11.381
  751    HB3  PRO  96           HB3      PRO  96 -20.796  -1.917   9.930
  752    HG2  PRO  96           HG2      PRO  96 -19.367  -1.278  12.529
  753    HG3  PRO  96           HG3      PRO  96 -19.427  -2.848  11.646
  754    HD2  PRO  96           HD2      PRO  96 -17.340  -1.092  11.380
  755    HD3  PRO  96           HD3      PRO  96 -17.925  -2.088  10.011
  756    H    ASP  97           H        ASP  97 -18.504   0.938  12.007
  757    HA   ASP  97           HA       ASP  97 -19.871   3.474  12.577
  758    HB2  ASP  97           HB2      ASP  97 -19.526   1.243  14.632
  759    HB3  ASP  97           HB3      ASP  97 -19.865   2.925  15.041
  760    H    SER  98           H        SER  98 -18.422   4.819  14.007
  761    HA   SER  98           HA       SER  98 -15.827   4.828  12.982
  762    HB2  SER  98           HB2      SER  98 -16.776   5.962  15.640
  763    HB3  SER  98           HB3      SER  98 -15.328   6.464  14.750
  764    HG   SER  98           HG       SER  98 -17.149   7.818  14.350
  765    H    HIS  99           H        HIS  99 -16.932   3.532  16.136
  766    HA   HIS  99           HA       HIS  99 -14.912   1.479  16.112
  767    HB2  HIS  99           HB2      HIS  99 -13.533   3.474  16.728
  768    HB3  HIS  99           HB3      HIS  99 -14.578   3.741  18.127
  769    HD2  HIS  99           HD2      HIS  99 -13.189   3.074  20.196
  770    HE1  HIS  99           HE1      HIS  99 -11.504  -0.577  18.814
  771    HE2  HIS  99           HE2      HIS  99 -11.701   1.012  20.805
  772    H    HIS 100           H        HIS 100 -17.883   2.486  16.801
  773    HA   HIS 100           HA       HIS 100 -18.347   1.722  19.513
  774    HB2  HIS 100           HB2      HIS 100 -20.272   1.878  17.165
  775    HB3  HIS 100           HB3      HIS 100 -20.705   1.904  18.879
  776    HD2  HIS 100           HD2      HIS 100 -20.785   4.218  20.049
  777    HE1  HIS 100           HE1      HIS 100 -18.884   6.583  17.068
  778    HE2  HIS 100           HE2      HIS 100 -20.125   6.633  19.293
  779    H    SER 101           H        SER 101 -17.528  -0.256  16.915
  780    HA   SER 101           HA       SER 101 -18.378  -2.652  18.356
  781    HB2  SER 101           HB2      SER 101 -19.541  -3.612  16.386
  782    HB3  SER 101           HB3      SER 101 -20.385  -2.193  17.038
  783    HG   SER 101           HG       SER 101 -20.179  -2.107  14.751
  784    H5'    U 102           H5'        U 102  -5.186  -6.165  13.555
  785   H5''    U 102          H5''        U 102  -3.534  -6.382  14.182
  786    H4'    U 102           H4'        U 102  -5.149  -3.895  14.836
  787    H3'    U 102           H3'        U 102  -3.372  -4.515  12.449
  788    H2'    U 102           H2'        U 102  -2.617  -2.261  12.553
  789   HO2'    U 102          HO2'        U 102  -4.683  -1.304  12.693
  790    H1'    U 102           H1'        U 102  -2.964  -2.073  15.378
  791    H3     U 102           H3         U 102   1.360  -4.285  13.102
  792    H5     U 102           H5         U 102   1.400  -1.115  15.856
  793    H6     U 102           H6         U 102  -1.034  -1.244  15.935
  794   HO5'    U 102          HO5'        U 102  -5.153  -7.300  15.560
  795    H5'    C 103           H5'        C 103  -6.455  -0.994   9.918
  796   H5''    C 103          H5''        C 103  -7.298  -1.439  11.407
  797    H4'    C 103           H4'        C 103  -8.789  -0.488   9.656
  798    H3'    C 103           H3'        C 103  -9.367  -2.672  11.266
  799    H2'    C 103           H2'        C 103  -8.846  -4.317   9.657
  800   HO2'    C 103          HO2'        C 103 -11.088  -4.569  10.182
  801    H1'    C 103           H1'        C 103 -10.128  -2.655   7.477
  802    H41    C 103           H41        C 103  -6.895  -6.679   3.742
  803    H42    C 103           H42        C 103  -5.852  -7.156   5.069
  804    H5     C 103           H5         C 103  -6.038  -6.211   7.321
  805    H6     C 103           H6         C 103  -7.210  -4.629   8.678
  806    H5'    C 104           H5'        C 104 -10.187   2.154  11.497
  807   H5''    C 104          H5''        C 104 -11.936   2.296  11.297
  808    H4'    C 104           H4'        C 104 -10.383   4.141  10.314
  809    H3'    C 104           H3'        C 104 -12.647   2.928   8.723
  810    H2'    C 104           H2'        C 104 -12.151   4.243   6.964
  811   HO2'    C 104          HO2'        C 104 -11.897   6.260   8.078
  812    H1'    C 104           H1'        C 104  -9.427   4.204   7.177
  813    H41    C 104           H41        C 104 -11.185  -0.091   2.820
  814    H42    C 104           H42        C 104 -11.952  -1.096   4.028
  815    H5     C 104           H5         C 104 -12.126  -0.413   6.401
  816    H6     C 104           H6         C 104 -11.575   1.336   7.974
  817    H5'    A 105           H5'        A 105 -15.897   6.823  10.692
  818   H5''    A 105          H5''        A 105 -15.318   8.382  10.098
  819    H4'    A 105           H4'        A 105 -14.680   8.228  12.381
  820    H3'    A 105           H3'        A 105 -12.647   8.405  10.308
  821    H2'    A 105           H2'        A 105 -11.598   6.462  11.109
  822   HO2'    A 105          HO2'        A 105 -10.827   8.557  12.861
  823    H1'    A 105           H1'        A 105 -12.801   7.314  13.776
  824    H8     A 105           H8         A 105 -11.651   4.152  11.939
  825    H61    A 105           H61        A 105  -9.742   2.309  17.566
  826    H62    A 105           H62        A 105  -9.784   1.883  15.864
  827    H2     A 105           H2         A 105 -11.797   6.225  17.984
  828    H5'    G 106           H5'        G 106 -10.559  11.168  11.109
  829   H5''    G 106          H5''        G 106 -11.370  12.713  11.415
  830    H4'    G 106           H4'        G 106  -9.819  13.184   9.728
  831    H3'    G 106           H3'        G 106 -12.559  13.456   9.143
  832    H2'    G 106           H2'        G 106 -12.832  11.878   7.542
  833   HO2'    G 106          HO2'        G 106 -11.267  13.837   6.221
  834    H1'    G 106           H1'        G 106 -10.039  11.767   6.551
  835    H8     G 106           H8         G 106 -12.874   9.873   8.387
  836    H1     G 106           H1         G 106  -9.777   6.623   3.783
  837    H21    G 106           H21        G 106  -8.143   7.894   2.971
  838    H22    G 106           H22        G 106  -7.748   9.444   3.668
  839    H5'    U 107           H5'        U 107 -11.993  16.464   6.406
  840   H5''    U 107          H5''        U 107 -12.182  18.032   7.216
  841    H4'    U 107           H4'        U 107 -14.724  17.358   7.341
  842    H3'    U 107           H3'        U 107 -14.032  14.992   6.233
  843   HO3'    U 107          HO3'        U 107 -16.219  15.714   6.490
  844    H2'    U 107           H2'        U 107 -12.731  15.721   4.452
  845   HO2'    U 107          HO2'        U 107 -15.384  15.908   3.456
  846    H1'    U 107           H1'        U 107 -14.368  17.974   3.548
  847    H3     U 107           H3         U 107  -9.957  20.314   4.476
  848    H5     U 107           H5         U 107  -9.926  17.158   1.708
  849    H6     U 107           H6         U 107 -12.148  16.565   2.440
  Start of MODEL   13
    1    H    MET   1           H1       MET   1  -6.004  19.317  -0.135
    2    HA   MET   1           HA       MET   1  -5.596  17.985   2.454
    3    HB2  MET   1           HB2      MET   1  -8.072  18.165   0.692
    4    HB3  MET   1           HB3      MET   1  -7.864  17.024   2.029
    5    HG2  MET   1           HG2      MET   1  -9.117  18.859   2.863
    6    HG3  MET   1           HG3      MET   1  -7.511  18.930   3.590
    7    HE1  MET   1           HE1      MET   1  -8.603  22.672   3.436
    8    HE2  MET   1           HE2      MET   1  -9.644  21.259   3.719
    9    HE3  MET   1           HE3      MET   1  -8.025  21.341   4.467
   10    H    SER   2           H        SER   2  -5.281  15.763   2.392
   11    HA   SER   2           HA       SER   2  -5.310  14.404  -0.218
   12    HB2  SER   2           HB2      SER   2  -3.051  15.472   0.018
   13    HB3  SER   2           HB3      SER   2  -2.787  14.520   1.492
   14    HG   SER   2           HG       SER   2  -3.139  12.640   0.188
   15    H    TYR   3           H        TYR   3  -6.446  14.388   2.749
   16    HA   TYR   3           HA       TYR   3  -6.269  11.449   3.060
   17    HB2  TYR   3           HB2      TYR   3  -6.065  13.350   5.413
   18    HB3  TYR   3           HB3      TYR   3  -5.777  11.614   5.403
   19    HD1  TYR   3           HD2      TYR   3  -3.802  10.706   4.074
   20    HD2  TYR   3           HD1      TYR   3  -4.255  14.867   5.032
   21    HE1  TYR   3           HE2      TYR   3  -1.416  11.077   3.523
   22    HE2  TYR   3           HE1      TYR   3  -1.854  15.248   4.541
   23    HH   TYR   3           HH       TYR   3   0.113  14.316   3.818
   24    H    GLY   4           H        GLY   4  -8.246  13.387   2.025
   25    HA2  GLY   4           HA2      GLY   4 -10.286  13.722   4.038
   26    HA3  GLY   4           HA3      GLY   4 -10.446  14.038   2.295
   27    H    ARG   5           H        ARG   5 -12.538  13.033   3.548
   28    HA   ARG   5           HA       ARG   5 -12.828  10.300   3.867
   29    HB2  ARG   5           HB2      ARG   5 -15.273  10.992   2.845
   30    HB3  ARG   5           HB3      ARG   5 -14.755  11.185   4.527
   31    HG2  ARG   5           HG2      ARG   5 -15.801  13.221   3.792
   32    HG3  ARG   5           HG3      ARG   5 -14.083  13.520   4.038
   33    HD2  ARG   5           HD2      ARG   5 -14.704  14.596   1.989
   34    HD3  ARG   5           HD3      ARG   5 -13.757  13.155   1.555
   35    HE   ARG   5           HE       ARG   5 -16.605  12.617   1.633
   36   HH11  ARG   5          HH11      ARG   5 -14.001  13.927  -0.350
   37   HH12  ARG   5          HH12      ARG   5 -14.816  13.612  -1.866
   38   HH21  ARG   5          HH21      ARG   5 -17.673  12.217  -0.357
   39   HH22  ARG   5          HH22      ARG   5 -16.892  12.647  -1.863
   40    HA   PRO   6           HA       PRO   6 -12.427   8.520  -0.146
   41    HB2  PRO   6           HB2      PRO   6 -13.667   6.124   0.325
   42    HB3  PRO   6           HB3      PRO   6 -12.091   6.560   1.065
   43    HG2  PRO   6           HG2      PRO   6 -14.853   6.798   2.286
   44    HG3  PRO   6           HG3      PRO   6 -13.385   6.061   3.012
   45    HD2  PRO   6           HD2      PRO   6 -14.150   8.643   3.553
   46    HD3  PRO   6           HD3      PRO   6 -12.425   8.218   3.408
   47    HA   PRO   7           HA       PRO   7 -16.188   9.293  -2.296
   48    HB2  PRO   7           HB2      PRO   7 -16.079   7.627  -4.447
   49    HB3  PRO   7           HB3      PRO   7 -14.921   8.979  -4.212
   50    HG2  PRO   7           HG2      PRO   7 -14.529   6.055  -3.511
   51    HG3  PRO   7           HG3      PRO   7 -13.422   7.123  -4.436
   52    HD2  PRO   7           HD2      PRO   7 -13.104   6.672  -1.758
   53    HD3  PRO   7           HD3      PRO   7 -12.767   8.279  -2.484
   54    HA   PRO   8           HA       PRO   8 -19.269   6.512  -0.916
   55    HB2  PRO   8           HB2      PRO   8 -21.396   7.057  -2.541
   56    HB3  PRO   8           HB3      PRO   8 -20.687   8.295  -1.456
   57    HG2  PRO   8           HG2      PRO   8 -20.102   7.866  -4.401
   58    HG3  PRO   8           HG3      PRO   8 -20.544   9.402  -3.574
   59    HD2  PRO   8           HD2      PRO   8 -17.953   8.726  -4.086
   60    HD3  PRO   8           HD3      PRO   8 -18.422   9.582  -2.582
   61    H    ASP   9           H        ASP   9 -17.458   5.547  -3.372
   62    HA   ASP   9           HA       ASP   9 -19.101   3.134  -3.851
   63    HB2  ASP   9           HB2      ASP   9 -18.844   3.236  -6.207
   64    HB3  ASP   9           HB3      ASP   9 -19.493   4.796  -5.669
   65    H    VAL  10           H        VAL  10 -16.450   4.146  -2.485
   66    HA   VAL  10           HA       VAL  10 -14.281   2.802  -3.700
   67    HB   VAL  10           HB       VAL  10 -14.111   4.461  -1.879
   68   HG11  VAL  10          HG11      VAL  10 -14.475   3.782   0.463
   69   HG12  VAL  10          HG12      VAL  10 -15.988   3.702  -0.458
   70   HG13  VAL  10          HG13      VAL  10 -15.097   2.211  -0.070
   71   HG21  VAL  10          HG21      VAL  10 -12.247   2.895  -2.375
   72   HG22  VAL  10          HG22      VAL  10 -12.282   3.415  -0.674
   73   HG23  VAL  10          HG23      VAL  10 -12.861   1.794  -1.121
   74    H    GLU  11           H        GLU  11 -17.043   1.528  -1.998
   75    HA   GLU  11           HA       GLU  11 -15.888  -1.030  -1.297
   76    HB2  GLU  11           HB2      GLU  11 -18.240  -1.625  -0.852
   77    HB3  GLU  11           HB3      GLU  11 -17.812  -0.059  -0.128
   78    HG2  GLU  11           HG2      GLU  11 -18.898   1.111  -2.015
   79    HG3  GLU  11           HG3      GLU  11 -19.285  -0.437  -2.777
   80    H    GLY  12           H        GLY  12 -16.697   0.314  -4.241
   81    HA2  GLY  12           HA2      GLY  12 -17.299  -2.329  -5.501
   82    HA3  GLY  12           HA3      GLY  12 -17.939  -0.773  -6.079
   83    H    MET  13           H        MET  13 -14.620  -0.923  -4.936
   84    HA   MET  13           HA       MET  13 -13.578  -1.179  -7.710
   85    HB2  MET  13           HB2      MET  13 -12.916   1.063  -5.762
   86    HB3  MET  13           HB3      MET  13 -12.075   0.752  -7.297
   87    HG2  MET  13           HG2      MET  13 -14.253   1.022  -8.489
   88    HG3  MET  13           HG3      MET  13 -14.991   1.511  -6.955
   89    HE1  MET  13           HE1      MET  13 -14.391   3.691  -5.636
   90    HE2  MET  13           HE2      MET  13 -12.665   3.236  -5.602
   91    HE3  MET  13           HE3      MET  13 -13.142   4.859  -6.139
   92    H    THR  14           H        THR  14 -11.105  -1.320  -7.659
   93    HA   THR  14           HA       THR  14 -10.226  -3.415  -5.968
   94    HB   THR  14           HB       THR  14  -8.598  -1.330  -7.477
   95   HG21  THR  14          HG21      THR  14  -7.152  -2.666  -6.017
   96   HG22  THR  14          HG22      THR  14  -7.923  -4.166  -6.599
   97   HG23  THR  14          HG23      THR  14  -6.938  -3.181  -7.695
   98    H    SER  15           H        SER  15  -8.558  -3.335  -4.289
   99    HA   SER  15           HA       SER  15  -8.024  -0.765  -2.942
  100    HB2  SER  15           HB2      SER  15  -8.929  -1.578  -0.804
  101    HB3  SER  15           HB3      SER  15 -10.209  -1.422  -2.020
  102    HG   SER  15           HG       SER  15 -10.384  -3.401  -0.947
  103    H    LEU  16           H        LEU  16  -6.096  -0.811  -1.940
  104    HA   LEU  16           HA       LEU  16  -4.964  -3.442  -1.142
  105    HB2  LEU  16           HB2      LEU  16  -4.113  -2.879  -3.449
  106    HB3  LEU  16           HB3      LEU  16  -3.430  -1.389  -2.774
  107    HG   LEU  16           HG       LEU  16  -2.277  -3.021  -1.037
  108   HD11  LEU  16          HD11      LEU  16  -3.572  -5.014  -1.863
  109   HD12  LEU  16          HD12      LEU  16  -2.723  -4.853  -3.421
  110   HD13  LEU  16          HD13      LEU  16  -1.802  -5.226  -1.951
  111   HD21  LEU  16          HD21      LEU  16  -1.038  -1.667  -2.631
  112   HD22  LEU  16          HD22      LEU  16  -0.401  -3.331  -2.700
  113   HD23  LEU  16          HD23      LEU  16  -1.513  -2.753  -3.958
  114    H    LYS  17           H        LYS  17  -5.304  -2.865   1.002
  115    HA   LYS  17           HA       LYS  17  -4.422  -0.496   2.289
  116    HB2  LYS  17           HB2      LYS  17  -5.938  -1.757   3.432
  117    HB3  LYS  17           HB3      LYS  17  -5.061  -3.287   3.180
  118    HG2  LYS  17           HG2      LYS  17  -3.369  -2.591   4.814
  119    HG3  LYS  17           HG3      LYS  17  -4.133  -0.983   4.957
  120    HD2  LYS  17           HD2      LYS  17  -6.212  -2.040   5.774
  121    HD3  LYS  17           HD3      LYS  17  -5.482  -3.640   5.573
  122    HE2  LYS  17           HE2      LYS  17  -5.405  -2.952   7.917
  123    HE3  LYS  17           HE3      LYS  17  -3.769  -3.097   7.256
  124    HZ1  LYS  17           HZ1      LYS  17  -3.710  -0.713   7.047
  125    HZ2  LYS  17           HZ2      LYS  17  -5.271  -0.580   7.572
  126    HZ3  LYS  17           HZ3      LYS  17  -4.099  -1.131   8.585
  127    H    VAL  18           H        VAL  18  -2.602  -0.058   3.538
  128    HA   VAL  18           HA       VAL  18  -0.195  -1.810   3.293
  129    HB   VAL  18           HB       VAL  18  -0.451   1.177   2.876
  130   HG11  VAL  18          HG11      VAL  18   2.079  -0.497   2.984
  131   HG12  VAL  18          HG12      VAL  18   1.974   1.238   2.588
  132   HG13  VAL  18          HG13      VAL  18   1.540   0.675   4.212
  133   HG21  VAL  18          HG21      VAL  18  -0.990  -0.131   0.846
  134   HG22  VAL  18          HG22      VAL  18   0.520   0.789   0.657
  135   HG23  VAL  18          HG23      VAL  18   0.585  -0.954   0.968
  136    H    ASP  19           H        ASP  19   0.831  -2.014   5.250
  137    HA   ASP  19           HA       ASP  19   0.397  -0.116   7.438
  138    HB2  ASP  19           HB2      ASP  19  -0.648  -1.758   8.903
  139    HB3  ASP  19           HB3      ASP  19  -1.650  -1.484   7.462
  140    H    ASN  20           H        ASN  20   1.254  -1.307   9.547
  141    HA   ASN  20           HA       ASN  20   2.748  -2.461  10.744
  142    HB2  ASN  20           HB2      ASN  20   2.684  -4.185   8.720
  143    HB3  ASN  20           HB3      ASN  20   4.291  -3.506   8.402
  144   HD21  ASN  20          HD22      ASN  20   5.963  -4.436   9.503
  145   HD22  ASN  20          HD21      ASN  20   5.784  -5.460  10.917
  146    H    LEU  21           H        LEU  21   3.393   0.084   8.771
  147    HA   LEU  21           HA       LEU  21   6.183   0.386   8.854
  148    HB2  LEU  21           HB2      LEU  21   5.675   2.815   8.598
  149    HB3  LEU  21           HB3      LEU  21   4.972   1.751   7.399
  150    HG   LEU  21           HG       LEU  21   3.512   3.605   8.092
  151   HD11  LEU  21          HD11      LEU  21   2.629   1.396   7.213
  152   HD12  LEU  21          HD12      LEU  21   2.180   1.018   8.912
  153   HD13  LEU  21          HD13      LEU  21   1.497   2.428   8.110
  154   HD21  LEU  21          HD21      LEU  21   4.085   3.678  10.505
  155   HD22  LEU  21          HD22      LEU  21   2.340   3.600  10.206
  156   HD23  LEU  21          HD23      LEU  21   3.202   2.142  10.737
  157    H    THR  22           H        THR  22   7.214   2.347  10.013
  158    HA   THR  22           HA       THR  22   7.391   1.506  12.783
  159    HB   THR  22           HB       THR  22   9.224   3.001  12.963
  160   HG21  THR  22          HG21      THR  22   9.724   1.082  11.551
  161   HG22  THR  22          HG22      THR  22   9.183   1.984  10.103
  162   HG23  THR  22          HG23      THR  22  10.620   2.520  11.017
  163    H    TYR  23           H        TYR  23   7.602   3.208  14.550
  164    HA   TYR  23           HA       TYR  23   5.185   4.820  14.654
  165    HB2  TYR  23           HB2      TYR  23   5.941   5.343  16.914
  166    HB3  TYR  23           HB3      TYR  23   6.014   3.604  16.592
  167    HD1  TYR  23           HD2      TYR  23   8.056   6.679  17.011
  168    HD2  TYR  23           HD1      TYR  23   8.069   2.388  16.653
  169    HE1  TYR  23           HE2      TYR  23  10.432   6.626  17.733
  170    HE2  TYR  23           HE1      TYR  23  10.432   2.326  17.401
  171    HH   TYR  23           HH       TYR  23  12.245   3.549  18.064
  172    H    ARG  24           H        ARG  24   8.197   5.367  13.196
  173    HA   ARG  24           HA       ARG  24   8.224   8.268  13.811
  174    HB2  ARG  24           HB2      ARG  24  10.011   6.686  11.922
  175    HB3  ARG  24           HB3      ARG  24  10.256   8.337  12.510
  176    HG2  ARG  24           HG2      ARG  24  11.773   7.072  13.717
  177    HG3  ARG  24           HG3      ARG  24  10.447   7.309  14.868
  178    HD2  ARG  24           HD2      ARG  24   9.719   5.059  14.639
  179    HD3  ARG  24           HD3      ARG  24  10.536   4.865  13.079
  180    HE   ARG  24           HE       ARG  24  11.845   4.898  15.757
  181   HH11  ARG  24          HH11      ARG  24  11.978   4.215  12.289
  182   HH12  ARG  24          HH12      ARG  24  13.483   3.334  12.401
  183   HH21  ARG  24          HH21      ARG  24  13.817   3.749  15.871
  184   HH22  ARG  24          HH22      ARG  24  14.524   3.077  14.421
  185    H    THR  25           H        THR  25   7.113   5.983  11.424
  186    HA   THR  25           HA       THR  25   7.176   7.578   9.090
  187    HB   THR  25           HB       THR  25   5.210   5.389   9.869
  188   HG21  THR  25          HG21      THR  25   6.199   6.422   7.175
  189   HG22  THR  25          HG22      THR  25   5.339   4.883   7.406
  190   HG23  THR  25          HG23      THR  25   4.520   6.412   7.782
  191    H    SER  26           H        SER  26   5.218   8.384   7.918
  192    HA   SER  26           HA       SER  26   3.098   9.522   9.635
  193    HB2  SER  26           HB2      SER  26   3.575  11.787   8.913
  194    HB3  SER  26           HB3      SER  26   5.082  11.111   9.526
  195    HG   SER  26           HG       SER  26   5.355  12.160   7.519
  196    HA   PRO  27           HA       PRO  27   0.768   8.688   6.007
  197    HB2  PRO  27           HB2      PRO  27  -1.062  10.678   5.725
  198    HB3  PRO  27           HB3      PRO  27  -1.080   9.563   7.123
  199    HG2  PRO  27           HG2      PRO  27   0.100  12.345   6.971
  200    HG3  PRO  27           HG3      PRO  27  -0.969  11.666   8.244
  201    HD2  PRO  27           HD2      PRO  27   1.747  11.769   8.506
  202    HD3  PRO  27           HD3      PRO  27   0.795  10.421   9.193
  203    H    ASP  28           H        ASP  28   2.516  11.744   6.081
  204    HA   ASP  28           HA       ASP  28   2.179  12.294   3.234
  205    HB2  ASP  28           HB2      ASP  28   2.609  14.076   4.898
  206    HB3  ASP  28           HB3      ASP  28   4.173  13.321   5.287
  207    H    THR  29           H        THR  29   4.506  10.555   5.308
  208    HA   THR  29           HA       THR  29   6.525  10.392   3.234
  209    HB   THR  29           HB       THR  29   7.052   8.186   4.715
  210   HG21  THR  29          HG21      THR  29   7.625  11.072   5.500
  211   HG22  THR  29          HG22      THR  29   8.546   9.642   6.040
  212   HG23  THR  29          HG23      THR  29   8.535  10.100   4.319
  213    H    LEU  30           H        LEU  30   3.948   8.151   4.393
  214    HA   LEU  30           HA       LEU  30   4.587   6.113   2.509
  215    HB2  LEU  30           HB2      LEU  30   1.912   6.781   3.788
  216    HB3  LEU  30           HB3      LEU  30   2.373   5.244   3.014
  217    HG   LEU  30           HG       LEU  30   3.912   6.390   5.373
  218   HD11  LEU  30          HD11      LEU  30   1.604   4.393   5.373
  219   HD12  LEU  30          HD12      LEU  30   2.544   4.930   6.795
  220   HD13  LEU  30          HD13      LEU  30   1.502   6.075   5.937
  221   HD21  LEU  30          HD21      LEU  30   3.647   3.616   4.135
  222   HD22  LEU  30          HD22      LEU  30   5.074   4.666   4.031
  223   HD23  LEU  30          HD23      LEU  30   4.579   3.995   5.601
  224    H    ARG  31           H        ARG  31   2.668   9.080   2.259
  225    HA   ARG  31           HA       ARG  31   1.257   8.463  -0.138
  226    HB2  ARG  31           HB2      ARG  31   0.680  10.361   1.288
  227    HB3  ARG  31           HB3      ARG  31   2.277  11.083   1.050
  228    HG2  ARG  31           HG2      ARG  31   0.582  12.232  -0.276
  229    HG3  ARG  31           HG3      ARG  31   1.791  11.466  -1.319
  230    HD2  ARG  31           HD2      ARG  31   0.252   9.581  -1.730
  231    HD3  ARG  31           HD3      ARG  31  -0.940  10.302  -0.634
  232    HE   ARG  31           HE       ARG  31  -1.590  11.755  -2.295
  233   HH11  ARG  31          HH11      ARG  31   1.548  10.354  -3.163
  234   HH12  ARG  31          HH12      ARG  31   1.568  11.099  -4.743
  235   HH21  ARG  31          HH21      ARG  31  -1.535  12.680  -4.393
  236   HH22  ARG  31          HH22      ARG  31  -0.162  12.387  -5.440
  237    H    ARG  32           H        ARG  32   4.522   9.719   0.470
  238    HA   ARG  32           HA       ARG  32   5.057  10.149  -2.402
  239    HB2  ARG  32           HB2      ARG  32   5.793  11.731  -0.667
  240    HB3  ARG  32           HB3      ARG  32   6.696  10.444   0.151
  241    HG2  ARG  32           HG2      ARG  32   8.162  10.201  -1.822
  242    HG3  ARG  32           HG3      ARG  32   7.292  11.523  -2.634
  243    HD2  ARG  32           HD2      ARG  32   8.737  11.713   0.043
  244    HD3  ARG  32           HD3      ARG  32   9.394  12.269  -1.502
  245    HE   ARG  32           HE       ARG  32   7.830  14.057  -1.550
  246   HH11  ARG  32          HH11      ARG  32   7.547  12.139   1.426
  247   HH12  ARG  32          HH12      ARG  32   6.584  13.371   2.226
  248   HH21  ARG  32          HH21      ARG  32   6.621  15.629  -0.424
  249   HH22  ARG  32          HH22      ARG  32   6.085  15.294   1.212
  250    H    VAL  33           H        VAL  33   6.068   7.965   0.225
  251    HA   VAL  33           HA       VAL  33   8.049   6.461  -1.122
  252    HB   VAL  33           HB       VAL  33   6.024   5.839   1.043
  253   HG11  VAL  33          HG11      VAL  33   8.306   4.052   0.161
  254   HG12  VAL  33          HG12      VAL  33   7.309   3.853   1.631
  255   HG13  VAL  33          HG13      VAL  33   6.561   3.716   0.034
  256   HG21  VAL  33          HG21      VAL  33   7.896   7.508   1.473
  257   HG22  VAL  33          HG22      VAL  33   7.883   6.095   2.554
  258   HG23  VAL  33          HG23      VAL  33   9.044   6.183   1.198
  259    H    PHE  34           H        PHE  34   4.474   6.158  -1.120
  260    HA   PHE  34           HA       PHE  34   4.700   3.699  -2.755
  261    HB2  PHE  34           HB2      PHE  34   2.524   5.013  -1.140
  262    HB3  PHE  34           HB3      PHE  34   2.144   3.789  -2.339
  263    HD1  PHE  34           HD1      PHE  34   4.066   4.387   0.814
  264    HD2  PHE  34           HD2      PHE  34   2.563   1.467  -1.961
  265    HE1  PHE  34           HE1      PHE  34   4.673   2.570   2.389
  266    HE2  PHE  34           HE2      PHE  34   3.130  -0.339  -0.375
  267    HZ   PHE  34           HZ       PHE  34   4.227   0.206   1.789
  268    H    GLU  35           H        GLU  35   4.179   7.074  -3.148
  269    HA   GLU  35           HA       GLU  35   2.430   7.119  -5.371
  270    HB2  GLU  35           HB2      GLU  35   3.024   9.150  -4.283
  271    HB3  GLU  35           HB3      GLU  35   4.763   8.900  -4.589
  272    HG2  GLU  35           HG2      GLU  35   4.456   9.248  -6.958
  273    HG3  GLU  35           HG3      GLU  35   2.687   9.268  -6.768
  274    H    LYS  36           H        LYS  36   5.838   6.113  -5.218
  275    HA   LYS  36           HA       LYS  36   6.331   6.493  -8.037
  276    HB2  LYS  36           HB2      LYS  36   8.432   5.427  -7.587
  277    HB3  LYS  36           HB3      LYS  36   8.005   6.454  -6.197
  278    HG2  LYS  36           HG2      LYS  36   7.196   4.471  -4.970
  279    HG3  LYS  36           HG3      LYS  36   7.635   3.437  -6.353
  280    HD2  LYS  36           HD2      LYS  36   9.376   3.320  -4.643
  281    HD3  LYS  36           HD3      LYS  36  10.003   4.110  -6.101
  282    HE2  LYS  36           HE2      LYS  36   9.621   6.324  -5.055
  283    HE3  LYS  36           HE3      LYS  36   8.973   5.532  -3.608
  284    HZ1  LYS  36           HZ1      LYS  36  11.110   4.488  -3.287
  285    HZ2  LYS  36           HZ2      LYS  36  11.717   5.235  -4.622
  286    HZ3  LYS  36           HZ3      LYS  36  11.269   6.126  -3.316
  287    H    TYR  37           H        TYR  37   4.705   4.065  -6.232
  288    HA   TYR  37           HA       TYR  37   5.069   1.943  -8.241
  289    HB2  TYR  37           HB2      TYR  37   3.305   2.151  -5.772
  290    HB3  TYR  37           HB3      TYR  37   3.503   0.705  -6.758
  291    HD1  TYR  37           HD1      TYR  37   5.334   3.090  -4.576
  292    HD2  TYR  37           HD2      TYR  37   5.300  -0.785  -6.426
  293    HE1  TYR  37           HE1      TYR  37   7.326   2.452  -3.246
  294    HE2  TYR  37           HE2      TYR  37   7.293  -1.436  -5.114
  295    HH   TYR  37           HH       TYR  37   8.889   0.800  -2.818
  296    H    GLY  38           H        GLY  38   2.991   4.668  -7.768
  297    HA2  GLY  38           HA2      GLY  38   1.549   4.854  -9.935
  298    HA3  GLY  38           HA3      GLY  38   0.724   3.454  -9.222
  299    H    ARG  39           H        ARG  39  -1.034   5.176  -9.349
  300    HA   ARG  39           HA       ARG  39  -1.040   7.330  -7.445
  301    HB2  ARG  39           HB2      ARG  39  -3.404   7.520  -7.917
  302    HB3  ARG  39           HB3      ARG  39  -2.516   7.247  -9.417
  303    HG2  ARG  39           HG2      ARG  39  -3.170   4.790  -9.244
  304    HG3  ARG  39           HG3      ARG  39  -4.209   5.231  -7.869
  305    HD2  ARG  39           HD2      ARG  39  -5.561   5.176  -9.856
  306    HD3  ARG  39           HD3      ARG  39  -5.418   6.848  -9.298
  307    HE   ARG  39           HE       ARG  39  -3.371   6.258 -11.233
  308   HH11  ARG  39          HH11      ARG  39  -6.834   6.887 -10.965
  309   HH12  ARG  39          HH12      ARG  39  -6.958   7.528 -12.590
  310   HH21  ARG  39          HH21      ARG  39  -3.564   7.087 -13.344
  311   HH22  ARG  39          HH22      ARG  39  -5.112   7.640 -13.934
  312    H    VAL  40           H        VAL  40  -1.006   7.147  -5.311
  313    HA   VAL  40           HA       VAL  40  -1.225   4.696  -3.923
  314    HB   VAL  40           HB       VAL  40  -1.261   5.964  -1.879
  315   HG11  VAL  40          HG11      VAL  40   0.446   7.412  -3.945
  316   HG12  VAL  40          HG12      VAL  40   0.728   7.319  -2.189
  317   HG13  VAL  40          HG13      VAL  40   0.844   5.856  -3.194
  318   HG21  VAL  40          HG21      VAL  40  -2.984   7.652  -2.514
  319   HG22  VAL  40          HG22      VAL  40  -1.554   8.381  -1.800
  320   HG23  VAL  40          HG23      VAL  40  -1.788   8.450  -3.567
  321    H    GLY  41           H        GLY  41  -3.697   6.760  -5.152
  322    HA2  GLY  41           HA2      GLY  41  -5.930   6.374  -5.392
  323    HA3  GLY  41           HA3      GLY  41  -5.745   4.863  -4.468
  324    H    ASP  42           H        ASP  42  -4.929   5.573  -2.028
  325    HA   ASP  42           HA       ASP  42  -6.287   7.892  -0.953
  326    HB2  ASP  42           HB2      ASP  42  -8.157   6.217  -1.276
  327    HB3  ASP  42           HB3      ASP  42  -7.289   5.113  -0.193
  328    H    VAL  43           H        VAL  43  -5.902   7.986   1.456
  329    HA   VAL  43           HA       VAL  43  -3.882   6.154   2.539
  330    HB   VAL  43           HB       VAL  43  -2.375   7.511   1.373
  331   HG11  VAL  43          HG11      VAL  43  -3.741   9.295   0.571
  332   HG12  VAL  43          HG12      VAL  43  -4.054   9.903   2.212
  333   HG13  VAL  43          HG13      VAL  43  -2.428  10.028   1.494
  334   HG21  VAL  43          HG21      VAL  43  -1.149   8.719   3.093
  335   HG22  VAL  43          HG22      VAL  43  -2.583   8.760   4.144
  336   HG23  VAL  43          HG23      VAL  43  -1.794   7.213   3.763
  337    H    TYR  44           H        TYR  44  -4.283   5.845   4.628
  338    HA   TYR  44           HA       TYR  44  -5.409   8.072   6.215
  339    HB2  TYR  44           HB2      TYR  44  -7.266   6.673   5.196
  340    HB3  TYR  44           HB3      TYR  44  -6.747   5.385   6.295
  341    HD1  TYR  44           HD1      TYR  44  -7.171   9.131   6.519
  342    HD2  TYR  44           HD2      TYR  44  -8.114   5.278   8.191
  343    HE1  TYR  44           HE1      TYR  44  -8.403  10.237   8.356
  344    HE2  TYR  44           HE2      TYR  44  -9.372   6.386  10.020
  345    HH   TYR  44           HH       TYR  44  -9.652   9.960  10.224
  346    H    ILE  45           H        ILE  45  -5.281   7.743   8.487
  347    HA   ILE  45           HA       ILE  45  -3.746   5.446   9.536
  348    HB   ILE  45           HB       ILE  45  -2.946   8.355   9.901
  349   HG12  ILE  45          HG12      ILE  45  -1.480   5.896   8.852
  350   HG13  ILE  45          HG13      ILE  45  -2.048   7.278   7.885
  351   HG21  ILE  45          HG21      ILE  45  -1.900   5.867  11.326
  352   HG22  ILE  45          HG22      ILE  45  -1.306   7.526  11.561
  353   HG23  ILE  45          HG23      ILE  45  -2.927   7.099  12.085
  354   HD11  ILE  45          HD11      ILE  45   0.328   7.539   8.281
  355   HD12  ILE  45          HD12      ILE  45  -0.540   8.766   9.236
  356   HD13  ILE  45          HD13      ILE  45   0.125   7.318  10.022
  357    HA   PRO  46           HA       PRO  46  -7.691   6.400  11.589
  358    HB2  PRO  46           HB2      PRO  46  -7.118   3.682  12.751
  359    HB3  PRO  46           HB3      PRO  46  -8.644   4.298  12.051
  360    HG2  PRO  46           HG2      PRO  46  -7.075   2.596  10.626
  361    HG3  PRO  46           HG3      PRO  46  -7.830   4.015   9.830
  362    HD2  PRO  46           HD2      PRO  46  -4.988   3.752  10.796
  363    HD3  PRO  46           HD3      PRO  46  -5.622   4.440   9.265
  364    H    ARG  47           H        ARG  47  -4.689   5.540  12.874
  365    HA   ARG  47           HA       ARG  47  -3.837   5.368  15.066
  366    HB2  ARG  47           HB2      ARG  47  -3.496   7.624  13.972
  367    HB3  ARG  47           HB3      ARG  47  -4.782   8.265  14.990
  368    HG2  ARG  47           HG2      ARG  47  -3.496   7.848  16.988
  369    HG3  ARG  47           HG3      ARG  47  -2.367   6.787  16.109
  370    HD2  ARG  47           HD2      ARG  47  -1.545   8.620  14.779
  371    HD3  ARG  47           HD3      ARG  47  -2.736   9.743  15.481
  372    HE   ARG  47           HE       ARG  47  -1.006   8.474  17.455
  373   HH11  ARG  47          HH11      ARG  47  -1.243  11.157  15.161
  374   HH12  ARG  47          HH12      ARG  47  -0.106  12.159  16.032
  375   HH21  ARG  47          HH21      ARG  47   0.426   9.830  18.600
  376   HH22  ARG  47          HH22      ARG  47   0.854  11.398  17.960
  377    H    ASP  48           H        ASP  48  -5.638   7.812  16.618
  378    HA   ASP  48           HA       ASP  48  -7.928   6.108  17.256
  379    HB2  ASP  48           HB2      ASP  48  -6.222   5.413  18.918
  380    HB3  ASP  48           HB3      ASP  48  -6.132   7.092  19.496
  381    H    ARG  49           H        ARG  49  -9.623   7.321  17.194
  382    HA   ARG  49           HA       ARG  49  -9.571  10.066  16.565
  383    HB2  ARG  49           HB2      ARG  49 -11.161   8.406  15.757
  384    HB3  ARG  49           HB3      ARG  49 -11.788   8.167  17.397
  385    HG2  ARG  49           HG2      ARG  49 -12.792  10.328  17.437
  386    HG3  ARG  49           HG3      ARG  49 -11.991  10.823  15.928
  387    HD2  ARG  49           HD2      ARG  49 -13.423   9.565  14.616
  388    HD3  ARG  49           HD3      ARG  49 -13.549   8.277  15.802
  389    HE   ARG  49           HE       ARG  49 -15.408   9.250  16.720
  390   HH11  ARG  49          HH11      ARG  49 -13.840  11.693  14.661
  391   HH12  ARG  49          HH12      ARG  49 -15.141  12.833  14.871
  392   HH21  ARG  49          HH21      ARG  49 -17.070  10.748  16.919
  393   HH22  ARG  49          HH22      ARG  49 -16.971  12.299  16.121
  394    H    TYR  50           H        TYR  50  -8.999   8.874  19.638
  395    HA   TYR  50           HA       TYR  50 -10.080  11.365  20.848
  396    HB2  TYR  50           HB2      TYR  50 -10.511   8.646  22.109
  397    HB3  TYR  50           HB3      TYR  50 -11.134  10.201  22.662
  398    HD1  TYR  50           HD1      TYR  50 -12.994  11.315  21.397
  399    HD2  TYR  50           HD2      TYR  50 -11.598   7.362  20.443
  400    HE1  TYR  50           HE1      TYR  50 -15.089  10.886  20.145
  401    HE2  TYR  50           HE2      TYR  50 -13.685   6.910  19.210
  402    HH   TYR  50           HH       TYR  50 -16.302   9.360  18.945
  403    H    THR  51           H        THR  51  -7.615   8.902  20.715
  404    HA   THR  51           HA       THR  51  -6.347  10.078  23.138
  405    HB   THR  51           HB       THR  51  -5.756   7.914  23.953
  406   HG21  THR  51          HG21      THR  51  -8.122   8.687  24.397
  407   HG22  THR  51          HG22      THR  51  -8.654   7.700  23.019
  408   HG23  THR  51          HG23      THR  51  -7.924   6.917  24.431
  409    H    LYS  52           H        LYS  52  -6.126   9.367  19.886
  410    HA   LYS  52           HA       LYS  52  -4.457   8.968  18.414
  411    HB2  LYS  52           HB2      LYS  52  -3.599  11.495  19.866
  412    HB3  LYS  52           HB3      LYS  52  -3.021  11.008  18.257
  413    HG2  LYS  52           HG2      LYS  52  -5.338  11.016  17.410
  414    HG3  LYS  52           HG3      LYS  52  -5.929  11.534  19.006
  415    HD2  LYS  52           HD2      LYS  52  -4.576  13.599  18.837
  416    HD3  LYS  52           HD3      LYS  52  -3.937  13.051  17.276
  417    HE2  LYS  52           HE2      LYS  52  -5.735  14.643  16.876
  418    HE3  LYS  52           HE3      LYS  52  -6.236  13.029  16.342
  419    HZ1  LYS  52           HZ1      LYS  52  -7.455  12.795  18.394
  420    HZ2  LYS  52           HZ2      LYS  52  -6.988  14.292  18.901
  421    HZ3  LYS  52           HZ3      LYS  52  -7.961  14.135  17.589
  422    H    GLU  53           H        GLU  53  -3.697   6.967  19.898
  423    HA   GLU  53           HA       GLU  53  -0.797   7.377  20.391
  424    HB2  GLU  53           HB2      GLU  53  -0.935   6.051  22.438
  425    HB3  GLU  53           HB3      GLU  53  -1.943   7.493  22.542
  426    HG2  GLU  53           HG2      GLU  53  -3.949   6.161  22.035
  427    HG3  GLU  53           HG3      GLU  53  -2.965   4.701  21.858
  428    H    SER  54           H        SER  54  -2.294   6.181  18.110
  429    HA   SER  54           HA       SER  54  -1.088   3.458  18.216
  430    HB2  SER  54           HB2      SER  54  -3.804   4.173  17.056
  431    HB3  SER  54           HB3      SER  54  -3.027   2.573  17.025
  432    HG   SER  54           HG       SER  54  -4.506   2.791  18.757
  433    H    ARG  55           H        ARG  55   0.079   5.854  17.140
  434    HA   ARG  55           HA       ARG  55  -0.211   6.138  14.335
  435    HB2  ARG  55           HB2      ARG  55   0.849   7.762  15.853
  436    HB3  ARG  55           HB3      ARG  55   2.149   6.620  16.199
  437    HG2  ARG  55           HG2      ARG  55   2.980   6.773  13.913
  438    HG3  ARG  55           HG3      ARG  55   1.568   7.753  13.431
  439    HD2  ARG  55           HD2      ARG  55   2.276   9.548  14.928
  440    HD3  ARG  55           HD3      ARG  55   3.584   8.543  15.576
  441    HE   ARG  55           HE       ARG  55   3.966   8.692  12.789
  442   HH11  ARG  55          HH11      ARG  55   3.966  10.893  15.558
  443   HH12  ARG  55          HH12      ARG  55   5.130  11.980  14.838
  444   HH21  ARG  55          HH21      ARG  55   5.485  10.104  11.889
  445   HH22  ARG  55          HH22      ARG  55   5.983  11.543  12.752
  446    H    GLY  56           H        GLY  56   0.688   3.395  15.919
  447    HA2  GLY  56           HA2      GLY  56   3.111   2.596  14.634
  448    HA3  GLY  56           HA3      GLY  56   2.001   1.554  15.530
  449    H    PHE  57           H        PHE  57   0.221   3.042  12.997
  450    HA   PHE  57           HA       PHE  57   1.080   1.209  10.893
  451    HB2  PHE  57           HB2      PHE  57  -0.832  -0.148  10.811
  452    HB3  PHE  57           HB3      PHE  57  -0.322  -0.193  12.497
  453    HD1  PHE  57           HD1      PHE  57  -1.524   1.441  14.148
  454    HD2  PHE  57           HD2      PHE  57  -2.989   0.518  10.207
  455    HE1  PHE  57           HE1      PHE  57  -3.767   2.233  14.797
  456    HE2  PHE  57           HE2      PHE  57  -5.224   1.329  10.845
  457    HZ   PHE  57           HZ       PHE  57  -5.635   2.169  13.157
  458    H    ALA  58           H        ALA  58  -0.634   1.275   9.071
  459    HA   ALA  58           HA       ALA  58  -2.134   3.798   8.912
  460    HB1  ALA  58           HB1      ALA  58  -0.031   3.075   6.828
  461    HB2  ALA  58           HB2      ALA  58  -1.057   4.510   6.860
  462    HB3  ALA  58           HB3      ALA  58   0.199   4.311   8.097
  463    H    PHE  59           H        PHE  59  -2.911   3.829   6.413
  464    HA   PHE  59           HA       PHE  59  -3.842   1.186   5.472
  465    HB2  PHE  59           HB2      PHE  59  -5.349   2.160   7.330
  466    HB3  PHE  59           HB3      PHE  59  -5.803   3.392   6.165
  467    HD1  PHE  59           HD1      PHE  59  -5.755   1.395   3.688
  468    HD2  PHE  59           HD2      PHE  59  -7.503   1.256   7.618
  469    HE1  PHE  59           HE1      PHE  59  -7.505  -0.143   2.858
  470    HE2  PHE  59           HE2      PHE  59  -9.227  -0.305   6.795
  471    HZ   PHE  59           HZ       PHE  59  -9.229  -1.019   4.414
  472    H    VAL  60           H        VAL  60  -2.026   2.406   4.011
  473    HA   VAL  60           HA       VAL  60  -3.255   4.370   2.206
  474    HB   VAL  60           HB       VAL  60  -0.881   2.569   1.569
  475   HG11  VAL  60          HG11      VAL  60  -1.701   5.324   0.582
  476   HG12  VAL  60          HG12      VAL  60  -0.256   4.424   0.091
  477   HG13  VAL  60          HG13      VAL  60  -1.868   3.804  -0.328
  478   HG21  VAL  60          HG21      VAL  60  -0.908   5.284   2.962
  479   HG22  VAL  60          HG22      VAL  60  -0.418   3.743   3.705
  480   HG23  VAL  60          HG23      VAL  60   0.541   4.428   2.381
  481    H    ARG  61           H        ARG  61  -4.317   3.871   0.179
  482    HA   ARG  61           HA       ARG  61  -4.866   0.987  -0.288
  483    HB2  ARG  61           HB2      ARG  61  -6.588   1.521   1.229
  484    HB3  ARG  61           HB3      ARG  61  -6.865   3.111   0.489
  485    HG2  ARG  61           HG2      ARG  61  -7.796   2.052  -1.528
  486    HG3  ARG  61           HG3      ARG  61  -7.421   0.443  -0.884
  487    HD2  ARG  61           HD2      ARG  61  -9.825   1.201  -0.612
  488    HD3  ARG  61           HD3      ARG  61  -9.015   0.701   0.887
  489    HE   ARG  61           HE       ARG  61  -8.718   3.531   0.505
  490   HH11  ARG  61          HH11      ARG  61 -11.194   1.146   1.250
  491   HH12  ARG  61          HH12      ARG  61 -12.016   2.173   2.410
  492   HH21  ARG  61          HH21      ARG  61  -9.819   4.879   1.963
  493   HH22  ARG  61          HH22      ARG  61 -11.227   4.292   2.822
  494    H    PHE  62           H        PHE  62  -4.138   0.773  -2.290
  495    HA   PHE  62           HA       PHE  62  -4.463   2.829  -4.334
  496    HB2  PHE  62           HB2      PHE  62  -3.695  -0.111  -4.501
  497    HB3  PHE  62           HB3      PHE  62  -3.660   1.011  -5.851
  498    HD1  PHE  62           HD1      PHE  62  -2.163   0.504  -2.433
  499    HD2  PHE  62           HD2      PHE  62  -1.771   2.287  -6.328
  500    HE1  PHE  62           HE1      PHE  62   0.174   1.120  -1.913
  501    HE2  PHE  62           HE2      PHE  62   0.568   2.901  -5.811
  502    HZ   PHE  62           HZ       PHE  62   1.561   2.284  -3.635
  503    H    HIS  63           H        HIS  63  -5.660   2.353  -6.402
  504    HA   HIS  63           HA       HIS  63  -8.122   0.729  -5.955
  505    HB2  HIS  63           HB2      HIS  63  -7.992   3.476  -7.239
  506    HB3  HIS  63           HB3      HIS  63  -9.428   2.476  -7.058
  507    HD2  HIS  63           HD2      HIS  63  -7.787   5.313  -5.552
  508    HE1  HIS  63           HE1      HIS  63  -9.965   3.653  -2.291
  509    HE2  HIS  63           HE2      HIS  63  -8.686   5.707  -3.109
  510    H    ASP  64           H        ASP  64  -5.410   0.789  -7.717
  511    HA   ASP  64           HA       ASP  64  -6.846  -0.202 -10.136
  512    HB2  ASP  64           HB2      ASP  64  -5.829   2.092 -10.452
  513    HB3  ASP  64           HB3      ASP  64  -4.238   1.355 -10.177
  514    H    LYS  65           H        LYS  65  -6.201  -2.173 -10.808
  515    HA   LYS  65           HA       LYS  65  -4.863  -3.740  -8.870
  516    HB2  LYS  65           HB2      LYS  65  -5.205  -5.595 -10.381
  517    HB3  LYS  65           HB3      LYS  65  -6.653  -4.579 -10.308
  518    HG2  LYS  65           HG2      LYS  65  -5.960  -3.467 -12.444
  519    HG3  LYS  65           HG3      LYS  65  -4.581  -4.582 -12.541
  520    HD2  LYS  65           HD2      LYS  65  -7.525  -5.361 -12.501
  521    HD3  LYS  65           HD3      LYS  65  -6.450  -5.376 -13.920
  522    HE2  LYS  65           HE2      LYS  65  -4.999  -7.039 -12.761
  523    HE3  LYS  65           HE3      LYS  65  -6.129  -7.055 -11.397
  524    HZ1  LYS  65           HZ1      LYS  65  -7.835  -7.838 -12.892
  525    HZ2  LYS  65           HZ2      LYS  65  -6.792  -7.824 -14.162
  526    HZ3  LYS  65           HZ3      LYS  65  -6.550  -8.858 -12.905
  527    H    ARG  66           H        ARG  66  -3.527  -2.237 -11.868
  528    HA   ARG  66           HA       ARG  66  -1.229  -4.010 -11.763
  529    HB2  ARG  66           HB2      ARG  66  -0.345  -2.692 -13.565
  530    HB3  ARG  66           HB3      ARG  66  -2.069  -2.954 -13.849
  531    HG2  ARG  66           HG2      ARG  66  -2.496  -0.646 -12.866
  532    HG3  ARG  66           HG3      ARG  66  -0.734  -0.417 -12.812
  533    HD2  ARG  66           HD2      ARG  66  -2.384  -0.987 -15.301
  534    HD3  ARG  66           HD3      ARG  66  -1.688   0.582 -14.844
  535    HE   ARG  66           HE       ARG  66   0.362  -1.407 -14.907
  536   HH11  ARG  66          HH11      ARG  66  -1.701   0.499 -17.068
  537   HH12  ARG  66          HH12      ARG  66  -0.558   0.446 -18.393
  538   HH21  ARG  66          HH21      ARG  66   1.830  -1.446 -16.654
  539   HH22  ARG  66          HH22      ARG  66   1.421  -0.661 -18.162
  540    H    ASP  67           H        ASP  67  -1.982  -0.721 -10.610
  541    HA   ASP  67           HA       ASP  67   0.682  -0.128  -9.651
  542    HB2  ASP  67           HB2      ASP  67  -2.043   0.940  -8.848
  543    HB3  ASP  67           HB3      ASP  67  -0.486   1.638  -8.375
  544    H    ALA  68           H        ALA  68  -2.141  -1.894  -8.432
  545    HA   ALA  68           HA       ALA  68  -1.246  -1.866  -5.685
  546    HB1  ALA  68           HB1      ALA  68  -3.404  -3.448  -7.146
  547    HB2  ALA  68           HB2      ALA  68  -3.205  -3.405  -5.385
  548    HB3  ALA  68           HB3      ALA  68  -3.630  -1.919  -6.265
  549    H    GLU  69           H        GLU  69  -1.288  -4.314  -8.375
  550    HA   GLU  69           HA       GLU  69  -0.351  -6.438  -6.689
  551    HB2  GLU  69           HB2      GLU  69  -0.310  -6.019  -9.690
  552    HB3  GLU  69           HB3      GLU  69   0.299  -7.492  -8.902
  553    HG2  GLU  69           HG2      GLU  69  -1.875  -7.892  -7.848
  554    HG3  GLU  69           HG3      GLU  69  -2.539  -6.432  -8.588
  555    H    ASP  70           H        ASP  70   1.371  -3.871  -8.503
  556    HA   ASP  70           HA       ASP  70   3.969  -5.121  -8.074
  557    HB2  ASP  70           HB2      ASP  70   3.068  -2.304  -8.790
  558    HB3  ASP  70           HB3      ASP  70   4.768  -2.770  -8.583
  559    H    ALA  71           H        ALA  71   1.944  -2.725  -6.360
  560    HA   ALA  71           HA       ALA  71   3.947  -1.775  -4.597
  561    HB1  ALA  71           HB1      ALA  71   2.034  -1.008  -3.227
  562    HB2  ALA  71           HB2      ALA  71   1.812  -0.640  -4.953
  563    HB3  ALA  71           HB3      ALA  71   0.937  -2.002  -4.216
  564    H    MET  72           H        MET  72   1.879  -4.717  -4.405
  565    HA   MET  72           HA       MET  72   2.920  -5.200  -1.685
  566    HB2  MET  72           HB2      MET  72   1.477  -7.120  -1.635
  567    HB3  MET  72           HB3      MET  72   0.552  -5.775  -2.331
  568    HG2  MET  72           HG2      MET  72   1.174  -6.587  -4.587
  569    HG3  MET  72           HG3      MET  72   1.938  -8.010  -3.857
  570    HE1  MET  72           HE1      MET  72  -1.127  -9.584  -5.593
  571    HE2  MET  72           HE2      MET  72   0.007  -8.326  -6.143
  572    HE3  MET  72           HE3      MET  72   0.615  -9.739  -5.259
  573    H    ASP  73           H        ASP  73   3.563  -6.198  -5.020
  574    HA   ASP  73           HA       ASP  73   5.117  -8.518  -4.358
  575    HB2  ASP  73           HB2      ASP  73   4.090  -8.116  -6.568
  576    HB3  ASP  73           HB3      ASP  73   5.155  -6.724  -6.814
  577    H    ALA  74           H        ALA  74   5.733  -5.196  -3.863
  578    HA   ALA  74           HA       ALA  74   8.658  -5.767  -3.642
  579    HB1  ALA  74           HB1      ALA  74   8.238  -4.466  -5.654
  580    HB2  ALA  74           HB2      ALA  74   7.235  -3.337  -4.718
  581    HB3  ALA  74           HB3      ALA  74   9.004  -3.416  -4.436
  582    H    MET  75           H        MET  75   5.841  -4.679  -2.009
  583    HA   MET  75           HA       MET  75   7.596  -3.523   0.148
  584    HB2  MET  75           HB2      MET  75   4.667  -3.013  -0.399
  585    HB3  MET  75           HB3      MET  75   5.585  -2.341   0.945
  586    HG2  MET  75           HG2      MET  75   6.252  -1.806  -1.979
  587    HG3  MET  75           HG3      MET  75   5.236  -0.780  -0.972
  588    HE1  MET  75           HE1      MET  75   7.808   1.791  -0.658
  589    HE2  MET  75           HE2      MET  75   6.492   1.153  -1.673
  590    HE3  MET  75           HE3      MET  75   6.231   1.399   0.059
  591    H    ASP  76           H        ASP  76   5.069  -6.017  -0.561
  592    HA   ASP  76           HA       ASP  76   4.468  -6.401   2.210
  593    HB2  ASP  76           HB2      ASP  76   3.042  -7.275   0.387
  594    HB3  ASP  76           HB3      ASP  76   4.335  -8.409  -0.071
  595    H    GLY  77           H        GLY  77   5.817  -7.044   3.766
  596    HA2  GLY  77           HA2      GLY  77   7.290  -8.431   4.869
  597    HA3  GLY  77           HA3      GLY  77   7.572  -9.330   3.368
  598    H    ALA  78           H        ALA  78   7.952  -6.062   2.649
  599    HA   ALA  78           HA       ALA  78  10.806  -6.247   2.381
  600    HB1  ALA  78           HB1      ALA  78   8.922  -3.856   2.189
  601    HB2  ALA  78           HB2      ALA  78  10.593  -3.928   1.581
  602    HB3  ALA  78           HB3      ALA  78   9.340  -4.959   0.862
  603    H    VAL  79           H        VAL  79  11.962  -3.999   3.143
  604    HA   VAL  79           HA       VAL  79  11.476  -3.588   6.047
  605    HB   VAL  79           HB       VAL  79  14.144  -4.367   4.777
  606   HG11  VAL  79          HG11      VAL  79  15.023  -4.338   7.062
  607   HG12  VAL  79          HG12      VAL  79  14.456  -2.731   6.566
  608   HG13  VAL  79          HG13      VAL  79  13.469  -3.729   7.667
  609   HG21  VAL  79          HG21      VAL  79  12.712  -6.335   5.045
  610   HG22  VAL  79          HG22      VAL  79  13.998  -6.357   6.263
  611   HG23  VAL  79          HG23      VAL  79  12.349  -5.877   6.720
  612    H    LEU  80           H        LEU  80  11.219  -1.396   6.244
  613    HA   LEU  80           HA       LEU  80  12.556   0.320   4.255
  614    HB2  LEU  80           HB2      LEU  80  11.100   2.019   4.872
  615    HB3  LEU  80           HB3      LEU  80  10.108   0.568   4.915
  616    HG   LEU  80           HG       LEU  80  11.349   1.990   7.314
  617   HD11  LEU  80          HD11      LEU  80   9.537   3.248   6.278
  618   HD12  LEU  80          HD12      LEU  80   8.485   1.816   6.310
  619   HD13  LEU  80          HD13      LEU  80   9.017   2.578   7.836
  620   HD21  LEU  80          HD21      LEU  80   9.880   0.503   8.673
  621   HD22  LEU  80          HD22      LEU  80   9.475  -0.420   7.208
  622   HD23  LEU  80          HD23      LEU  80  11.145  -0.395   7.831
  623    H    ASP  81           H        ASP  81  13.094  -0.690   7.521
  624    HA   ASP  81           HA       ASP  81  15.371   1.138   7.734
  625    HB2  ASP  81           HB2      ASP  81  13.456   2.550   8.426
  626    HB3  ASP  81           HB3      ASP  81  13.046   1.368   9.680
  627    H    GLY  82           H        GLY  82  13.625  -1.703   8.769
  628    HA2  GLY  82           HA2      GLY  82  15.591  -3.236   9.686
  629    HA3  GLY  82           HA3      GLY  82  15.370  -2.175  11.096
  630    H    ARG  83           H        ARG  83  12.355  -2.188   9.885
  631    HA   ARG  83           HA       ARG  83  11.537  -4.714  11.259
  632    HB2  ARG  83           HB2      ARG  83   9.521  -3.700  11.863
  633    HB3  ARG  83           HB3      ARG  83  10.800  -2.582  12.356
  634    HG2  ARG  83           HG2      ARG  83  10.353  -1.118  10.471
  635    HG3  ARG  83           HG3      ARG  83   9.221  -2.283   9.761
  636    HD2  ARG  83           HD2      ARG  83   8.862  -0.745  12.350
  637    HD3  ARG  83           HD3      ARG  83   7.954  -0.564  10.830
  638    HE   ARG  83           HE       ARG  83   6.802  -2.560  11.215
  639   HH11  ARG  83          HH11      ARG  83   8.968  -1.793  13.907
  640   HH12  ARG  83          HH12      ARG  83   8.144  -2.864  15.019
  641   HH21  ARG  83          HH21      ARG  83   5.731  -3.901  12.692
  642   HH22  ARG  83          HH22      ARG  83   6.337  -4.072  14.323
  643    H    GLU  84           H        GLU  84   8.855  -4.438  10.221
  644    HA   GLU  84           HA       GLU  84   9.400  -5.360   7.417
  645    HB2  GLU  84           HB2      GLU  84   7.591  -6.513   9.561
  646    HB3  GLU  84           HB3      GLU  84   7.461  -6.950   7.848
  647    HG2  GLU  84           HG2      GLU  84   9.861  -7.667   7.892
  648    HG3  GLU  84           HG3      GLU  84   9.923  -7.266   9.619
  649    H    LEU  85           H        LEU  85   7.599  -5.197   5.942
  650    HA   LEU  85           HA       LEU  85   5.552  -3.161   6.706
  651    HB2  LEU  85           HB2      LEU  85   6.853  -3.672   4.000
  652    HB3  LEU  85           HB3      LEU  85   5.466  -2.623   4.278
  653    HG   LEU  85           HG       LEU  85   7.294  -1.186   4.072
  654   HD11  LEU  85          HD11      LEU  85   6.958  -1.528   7.072
  655   HD12  LEU  85          HD12      LEU  85   7.448  -0.059   6.199
  656   HD13  LEU  85          HD13      LEU  85   5.803  -0.693   6.014
  657   HD21  LEU  85          HD21      LEU  85   9.030  -2.892   4.276
  658   HD22  LEU  85          HD22      LEU  85   9.403  -1.405   5.167
  659   HD23  LEU  85          HD23      LEU  85   8.867  -2.846   6.057
  660    H    ARG  86           H        ARG  86   3.503  -3.424   5.540
  661    HA   ARG  86           HA       ARG  86   2.956  -6.151   4.509
  662    HB2  ARG  86           HB2      ARG  86   1.668  -4.743   6.876
  663    HB3  ARG  86           HB3      ARG  86   0.754  -5.911   5.931
  664    HG2  ARG  86           HG2      ARG  86   3.395  -6.470   7.351
  665    HG3  ARG  86           HG3      ARG  86   1.783  -6.966   7.913
  666    HD2  ARG  86           HD2      ARG  86   1.483  -8.281   5.818
  667    HD3  ARG  86           HD3      ARG  86   3.133  -7.838   5.329
  668    HE   ARG  86           HE       ARG  86   2.943  -9.140   7.942
  669   HH11  ARG  86          HH11      ARG  86   3.397  -9.546   4.451
  670   HH12  ARG  86          HH12      ARG  86   4.193 -11.093   4.612
  671   HH21  ARG  86          HH21      ARG  86   3.998 -11.162   8.124
  672   HH22  ARG  86          HH22      ARG  86   4.525 -12.008   6.689
  673    H    VAL  87           H        VAL  87   1.556  -6.202   2.896
  674    HA   VAL  87           HA       VAL  87  -0.079  -3.846   2.222
  675    HB   VAL  87           HB       VAL  87   2.087  -4.940   0.376
  676   HG11  VAL  87          HG11      VAL  87   0.058  -4.302  -0.815
  677   HG12  VAL  87          HG12      VAL  87   0.008  -2.738   0.025
  678   HG13  VAL  87          HG13      VAL  87   1.331  -3.097  -1.115
  679   HG21  VAL  87          HG21      VAL  87   3.169  -3.517   1.967
  680   HG22  VAL  87          HG22      VAL  87   2.896  -2.525   0.514
  681   HG23  VAL  87          HG23      VAL  87   1.832  -2.331   1.918
  682    H    GLN  88           H        GLN  88  -2.029  -4.759   1.698
  683    HA   GLN  88           HA       GLN  88  -2.187  -6.984  -0.152
  684    HB2  GLN  88           HB2      GLN  88  -3.359  -8.522   1.358
  685    HB3  GLN  88           HB3      GLN  88  -1.710  -8.251   1.904
  686    HG2  GLN  88           HG2      GLN  88  -4.119  -6.761   3.026
  687    HG3  GLN  88           HG3      GLN  88  -3.490  -8.257   3.720
  688   HE21  GLN  88          HE22      GLN  88  -3.588  -5.165   4.464
  689   HE22  GLN  88          HE21      GLN  88  -1.992  -4.919   5.136
  690    H    MET  89           H        MET  89  -4.545  -7.609  -0.506
  691    HA   MET  89           HA       MET  89  -6.043  -5.240  -0.980
  692    HB2  MET  89           HB2      MET  89  -6.787  -8.194  -1.050
  693    HB3  MET  89           HB3      MET  89  -7.875  -6.885  -1.565
  694    HG2  MET  89           HG2      MET  89  -6.763  -7.719  -3.521
  695    HG3  MET  89           HG3      MET  89  -6.160  -6.099  -3.170
  696    HE1  MET  89           HE1      MET  89  -4.562  -7.597  -5.298
  697    HE2  MET  89           HE2      MET  89  -4.120  -6.036  -4.554
  698    HE3  MET  89           HE3      MET  89  -2.912  -7.322  -4.689
  699    H    ALA  90           H        ALA  90  -7.973  -4.461  -0.059
  700    HA   ALA  90           HA       ALA  90  -8.005  -4.827   2.852
  701    HB1  ALA  90           HB1      ALA  90  -9.423  -2.841   2.842
  702    HB2  ALA  90           HB2      ALA  90  -7.980  -2.570   1.844
  703    HB3  ALA  90           HB3      ALA  90  -9.556  -2.906   1.073
  704    H    ARG  91           H        ARG  91 -10.337  -4.561   3.844
  705    HA   ARG  91           HA       ARG  91 -12.351  -6.175   2.404
  706    HB2  ARG  91           HB2      ARG  91 -12.697  -7.655   4.286
  707    HB3  ARG  91           HB3      ARG  91 -11.002  -7.750   3.775
  708    HG2  ARG  91           HG2      ARG  91 -10.384  -6.165   5.595
  709    HG3  ARG  91           HG3      ARG  91 -12.078  -6.132   6.131
  710    HD2  ARG  91           HD2      ARG  91 -10.286  -8.585   6.021
  711    HD3  ARG  91           HD3      ARG  91 -10.701  -7.671   7.480
  712    HE   ARG  91           HE       ARG  91 -13.143  -8.395   6.312
  713   HH11  ARG  91          HH11      ARG  91 -10.332 -10.040   7.671
  714   HH12  ARG  91          HH12      ARG  91 -11.255 -11.438   8.191
  715   HH21  ARG  91          HH21      ARG  91 -14.321 -10.232   6.987
  716   HH22  ARG  91          HH22      ARG  91 -13.498 -11.543   7.798
  717    H    TYR  92           H        TYR  92 -14.323  -6.363   4.186
  718    HA   TYR  92           HA       TYR  92 -16.142  -5.195   4.857
  719    HB2  TYR  92           HB2      TYR  92 -14.122  -3.401   6.235
  720    HB3  TYR  92           HB3      TYR  92 -15.824  -3.587   6.650
  721    HD1  TYR  92           HD1      TYR  92 -16.329  -6.421   6.755
  722    HD2  TYR  92           HD2      TYR  92 -12.807  -4.241   7.924
  723    HE1  TYR  92           HE1      TYR  92 -15.750  -8.227   8.351
  724    HE2  TYR  92           HE2      TYR  92 -12.216  -6.034   9.521
  725    HH   TYR  92           HH       TYR  92 -14.261  -8.970   9.930
  726    H    GLY  93           H        GLY  93 -16.714  -2.537   5.345
  727    HA2  GLY  93           HA2      GLY  93 -16.011  -1.072   2.854
  728    HA3  GLY  93           HA3      GLY  93 -17.713  -1.295   3.324
  729    H    ARG  94           H        ARG  94 -15.516  -1.050   5.911
  730    HA   ARG  94           HA       ARG  94 -14.495   0.822   6.913
  731    HB2  ARG  94           HB2      ARG  94 -17.057   2.249   6.174
  732    HB3  ARG  94           HB3      ARG  94 -15.929   2.839   7.405
  733    HG2  ARG  94           HG2      ARG  94 -14.071   2.877   5.824
  734    HG3  ARG  94           HG3      ARG  94 -15.083   2.199   4.548
  735    HD2  ARG  94           HD2      ARG  94 -14.902   4.597   4.216
  736    HD3  ARG  94           HD3      ARG  94 -16.567   4.214   4.694
  737    HE   ARG  94           HE       ARG  94 -14.899   4.848   6.972
  738   HH11  ARG  94          HH11      ARG  94 -16.737   6.327   4.336
  739   HH12  ARG  94          HH12      ARG  94 -16.951   7.836   5.193
  740   HH21  ARG  94          HH21      ARG  94 -15.162   6.807   8.032
  741   HH22  ARG  94          HH22      ARG  94 -16.083   8.103   7.297
  742    HA   PRO  95           HA       PRO  95 -16.030  -0.989  10.538
  743    HB2  PRO  95           HB2      PRO  95 -15.050   0.724  12.458
  744    HB3  PRO  95           HB3      PRO  95 -14.048  -0.431  11.511
  745    HG2  PRO  95           HG2      PRO  95 -14.454   2.534  10.994
  746    HG3  PRO  95           HG3      PRO  95 -12.932   1.640  10.952
  747    HD2  PRO  95           HD2      PRO  95 -14.298   2.182   8.695
  748    HD3  PRO  95           HD3      PRO  95 -13.441   0.625   8.907
  749    HA   PRO  96           HA       PRO  96 -19.803   1.357  11.126
  750    HB2  PRO  96           HB2      PRO  96 -21.322  -0.592  12.216
  751    HB3  PRO  96           HB3      PRO  96 -20.700  -0.745  10.529
  752    HG2  PRO  96           HG2      PRO  96 -19.512  -1.912  13.076
  753    HG3  PRO  96           HG3      PRO  96 -19.891  -2.778  11.550
  754    HD2  PRO  96           HD2      PRO  96 -17.393  -1.783  12.117
  755    HD3  PRO  96           HD3      PRO  96 -18.048  -1.832  10.450
  756    H    ASP  97           H        ASP  97 -17.732   0.255  13.671
  757    HA   ASP  97           HA       ASP  97 -19.298   1.815  15.618
  758    HB2  ASP  97           HB2      ASP  97 -20.161  -0.557  15.622
  759    HB3  ASP  97           HB3      ASP  97 -18.550  -1.102  16.108
  760    H    SER  98           H        SER  98 -16.515   1.768  14.283
  761    HA   SER  98           HA       SER  98 -14.618   1.364  16.422
  762    HB2  SER  98           HB2      SER  98 -13.165   2.854  14.961
  763    HB3  SER  98           HB3      SER  98 -13.805   1.399  14.144
  764    HG   SER  98           HG       SER  98 -14.092   3.352  12.915
  765    H    HIS  99           H        HIS  99 -16.922   3.886  15.767
  766    HA   HIS  99           HA       HIS  99 -15.767   5.550  17.904
  767    HB2  HIS  99           HB2      HIS  99 -15.447   7.462  16.582
  768    HB3  HIS  99           HB3      HIS  99 -14.670   6.159  15.670
  769    HD2  HIS  99           HD2      HIS  99 -16.231   5.145  13.538
  770    HE1  HIS  99           HE1      HIS  99 -18.468   8.728  13.054
  771    HE2  HIS  99           HE2      HIS  99 -17.849   6.502  11.987
  772    H    HIS 100           H        HIS 100 -17.180   7.564  18.202
  773    HA   HIS 100           HA       HIS 100 -20.019   7.164  17.478
  774    HB2  HIS 100           HB2      HIS 100 -19.060   7.364  20.358
  775    HB3  HIS 100           HB3      HIS 100 -20.733   7.217  19.809
  776    HD2  HIS 100           HD2      HIS 100 -21.374   4.793  18.551
  777    HE1  HIS 100           HE1      HIS 100 -18.235   2.604  20.408
  778    HE2  HIS 100           HE2      HIS 100 -20.396   2.422  19.071
  779    H    SER 101           H        SER 101 -21.316   9.036  18.621
  780    HA   SER 101           HA       SER 101 -19.776  11.513  18.958
  781    HB2  SER 101           HB2      SER 101 -20.040  11.307  16.501
  782    HB3  SER 101           HB3      SER 101 -21.798  11.182  16.706
  783    HG   SER 101           HG       SER 101 -21.118  13.330  16.270
  784    H5'    U 102           H5'        U 102  -6.890  -1.090  16.264
  785   H5''    U 102          H5''        U 102  -7.693  -1.769  14.822
  786    H4'    U 102           H4'        U 102  -5.911  -0.481  13.976
  787    H3'    U 102           H3'        U 102  -5.768  -3.251  13.555
  788    H2'    U 102           H2'        U 102  -4.032  -3.529  15.259
  789   HO2'    U 102          HO2'        U 102  -3.185  -4.136  13.106
  790    H1'    U 102           H1'        U 102  -3.019  -0.894  14.171
  791    H3     U 102           H3         U 102  -1.799  -2.465  19.133
  792    H5     U 102           H5         U 102   0.925  -1.002  16.276
  793    H6     U 102           H6         U 102  -0.952  -0.910  14.683
  794   HO5'    U 102          HO5'        U 102  -7.350  -3.333  16.476
  795    H5'    C 103           H5'        C 103  -6.065  -0.688   9.613
  796   H5''    C 103          H5''        C 103  -6.758  -0.639  11.242
  797    H4'    C 103           H4'        C 103  -8.543  -0.236   9.706
  798    H3'    C 103           H3'        C 103  -8.634  -2.392  11.496
  799    H2'    C 103           H2'        C 103  -8.344  -4.080   9.899
  800   HO2'    C 103          HO2'        C 103 -10.510  -4.326  10.707
  801    H1'    C 103           H1'        C 103  -9.922  -2.489   7.864
  802    H41    C 103           H41        C 103  -7.217  -6.581   3.816
  803    H42    C 103           H42        C 103  -6.095  -7.145   5.036
  804    H5     C 103           H5         C 103  -5.960  -6.153   7.278
  805    H6     C 103           H6         C 103  -6.903  -4.506   8.743
  806    H5'    C 104           H5'        C 104  -9.371   2.355  11.521
  807   H5''    C 104          H5''        C 104 -11.121   2.514  11.806
  808    H4'    C 104           H4'        C 104 -10.022   4.309  10.356
  809    H3'    C 104           H3'        C 104 -12.414   2.772   9.379
  810    H2'    C 104           H2'        C 104 -12.408   4.027   7.432
  811   HO2'    C 104          HO2'        C 104 -12.142   6.127   8.357
  812    H1'    C 104           H1'        C 104  -9.657   4.263   7.190
  813    H41    C 104           H41        C 104 -11.806  -0.282   3.208
  814    H42    C 104           H42        C 104 -12.336  -1.277   4.550
  815    H5     C 104           H5         C 104 -12.140  -0.563   6.890
  816    H6     C 104           H6         C 104 -11.432   1.241   8.338
  817    H5'    A 105           H5'        A 105 -15.651   7.070  11.039
  818   H5''    A 105          H5''        A 105 -14.851   8.480  10.343
  819    H4'    A 105           H4'        A 105 -14.496   8.420  12.741
  820    H3'    A 105           H3'        A 105 -12.424   8.587  10.735
  821    H2'    A 105           H2'        A 105 -11.423   6.661  11.515
  822   HO2'    A 105          HO2'        A 105  -9.961   8.394  12.018
  823    H1'    A 105           H1'        A 105 -12.505   7.442  14.279
  824    H8     A 105           H8         A 105 -11.219   4.601  12.127
  825    H61    A 105           H61        A 105  -9.590   1.901  17.484
  826    H62    A 105           H62        A 105  -9.550   1.748  15.736
  827    H2     A 105           H2         A 105 -11.734   5.675  18.399
  828    H5'    G 106           H5'        G 106 -10.673  11.821  10.968
  829   H5''    G 106          H5''        G 106 -11.841  13.159  10.989
  830    H4'    G 106           H4'        G 106 -10.818  13.421   8.899
  831    H3'    G 106           H3'        G 106 -13.314  11.735   8.546
  832    H2'    G 106           H2'        G 106 -12.920  11.831   6.203
  833   HO2'    G 106          HO2'        G 106 -12.287  14.126   6.294
  834    H1'    G 106           H1'        G 106 -10.194  11.478   6.365
  835    H8     G 106           H8         G 106 -13.042   9.608   8.316
  836    H1     G 106           H1         G 106 -10.003   6.331   3.700
  837    H21    G 106           H21        G 106  -8.371   7.581   2.863
  838    H22    G 106           H22        G 106  -8.013   9.174   3.498
  839    H5'    U 107           H5'        U 107 -14.697  16.939   7.398
  840   H5''    U 107          H5''        U 107 -16.090  16.262   6.546
  841    H4'    U 107           H4'        U 107 -15.426  17.925   5.076
  842    H3'    U 107           H3'        U 107 -15.070  15.349   4.159
  843   HO3'    U 107          HO3'        U 107 -15.862  17.126   2.926
  844    H2'    U 107           H2'        U 107 -12.729  15.280   4.766
  845   HO2'    U 107          HO2'        U 107 -12.965  16.217   2.081
  846    H1'    U 107           H1'        U 107 -12.623  18.013   3.514
  847    H3     U 107           H3         U 107  -9.056  19.032   6.847
  848    H5     U 107           H5         U 107  -8.252  15.677   4.448
  849    H6     U 107           H6         U 107 -10.550  15.753   3.685
  Start of MODEL   14
    1    H    MET   1           H1       MET   1  -2.880  19.171   8.080
    2    HA   MET   1           HA       MET   1  -4.739  17.807   7.476
    3    HB2  MET   1           HB2      MET   1  -5.001  19.813   5.195
    4    HB3  MET   1           HB3      MET   1  -5.856  18.266   5.291
    5    HG2  MET   1           HG2      MET   1  -6.087  20.551   7.279
    6    HG3  MET   1           HG3      MET   1  -7.272  20.120   6.048
    7    HE1  MET   1           HE1      MET   1  -9.100  19.220   9.384
    8    HE2  MET   1           HE2      MET   1  -7.990  20.579   9.074
    9    HE3  MET   1           HE3      MET   1  -9.183  20.105   7.843
   10    H    SER   2           H        SER   2  -4.401  16.022   6.116
   11    HA   SER   2           HA       SER   2  -2.219  16.178   4.140
   12    HB2  SER   2           HB2      SER   2  -1.097  14.204   5.153
   13    HB3  SER   2           HB3      SER   2  -1.052  15.621   6.217
   14    HG   SER   2           HG       SER   2  -1.683  13.711   7.312
   15    H    TYR   3           H        TYR   3  -5.278  15.129   5.024
   16    HA   TYR   3           HA       TYR   3  -5.276  13.036   2.888
   17    HB2  TYR   3           HB2      TYR   3  -6.965  13.089   5.410
   18    HB3  TYR   3           HB3      TYR   3  -6.917  11.810   4.204
   19    HD1  TYR   3           HD2      TYR   3  -3.992  11.432   3.797
   20    HD2  TYR   3           HD1      TYR   3  -6.263  12.165   7.388
   21    HE1  TYR   3           HE2      TYR   3  -2.291  10.238   5.100
   22    HE2  TYR   3           HE1      TYR   3  -4.544  10.991   8.718
   23    HH   TYR   3           HH       TYR   3  -2.596   9.815   8.684
   24    H    GLY   4           H        GLY   4  -7.729  12.494   2.497
   25    HA2  GLY   4           HA2      GLY   4  -9.654  14.636   2.701
   26    HA3  GLY   4           HA3      GLY   4  -9.050  14.408   1.043
   27    H    ARG   5           H        ARG   5 -11.726  13.929   1.591
   28    HA   ARG   5           HA       ARG   5 -12.449  11.408   2.513
   29    HB2  ARG   5           HB2      ARG   5 -14.546  11.812   1.292
   30    HB3  ARG   5           HB3      ARG   5 -13.976  13.281   2.110
   31    HG2  ARG   5           HG2      ARG   5 -12.962  14.042  -0.063
   32    HG3  ARG   5           HG3      ARG   5 -13.661  12.612  -0.859
   33    HD2  ARG   5           HD2      ARG   5 -15.923  13.379  -0.179
   34    HD3  ARG   5           HD3      ARG   5 -15.183  14.793   0.599
   35    HE   ARG   5           HE       ARG   5 -15.074  14.248  -2.341
   36   HH11  ARG   5          HH11      ARG   5 -15.259  16.514   0.380
   37   HH12  ARG   5          HH12      ARG   5 -15.347  17.918  -0.655
   38   HH21  ARG   5          HH21      ARG   5 -15.194  16.099  -3.650
   39   HH22  ARG   5          HH22      ARG   5 -15.306  17.686  -2.925
   40    HA   PRO   6           HA       PRO   6 -11.307   8.587  -0.751
   41    HB2  PRO   6           HB2      PRO   6 -13.006   6.531  -0.159
   42    HB3  PRO   6           HB3      PRO   6 -11.626   6.962   0.902
   43    HG2  PRO   6           HG2      PRO   6 -14.525   7.781   1.185
   44    HG3  PRO   6           HG3      PRO   6 -13.448   7.099   2.445
   45    HD2  PRO   6           HD2      PRO   6 -13.875   9.803   2.186
   46    HD3  PRO   6           HD3      PRO   6 -12.281   9.164   2.671
   47    HA   PRO   7           HA       PRO   7 -14.318   9.254  -3.910
   48    HB2  PRO   7           HB2      PRO   7 -14.125   7.047  -5.523
   49    HB3  PRO   7           HB3      PRO   7 -12.823   8.268  -5.399
   50    HG2  PRO   7           HG2      PRO   7 -13.055   5.626  -3.936
   51    HG3  PRO   7           HG3      PRO   7 -11.628   6.285  -4.813
   52    HD2  PRO   7           HD2      PRO   7 -11.904   6.507  -2.101
   53    HD3  PRO   7           HD3      PRO   7 -11.177   7.827  -3.067
   54    HA   PRO   8           HA       PRO   8 -18.006   7.143  -2.648
   55    HB2  PRO   8           HB2      PRO   8 -19.774   7.938  -4.540
   56    HB3  PRO   8           HB3      PRO   8 -18.932   9.142  -3.499
   57    HG2  PRO   8           HG2      PRO   8 -18.172   8.256  -6.301
   58    HG3  PRO   8           HG3      PRO   8 -18.382   9.935  -5.699
   59    HD2  PRO   8           HD2      PRO   8 -15.937   8.680  -5.812
   60    HD3  PRO   8           HD3      PRO   8 -16.343   9.864  -4.530
   61    H    ASP   9           H        ASP   9 -16.081   5.722  -4.803
   62    HA   ASP   9           HA       ASP   9 -18.116   3.733  -5.623
   63    HB2  ASP   9           HB2      ASP   9 -17.769   5.453  -7.428
   64    HB3  ASP   9           HB3      ASP   9 -16.083   4.945  -7.533
   65    H    VAL  10           H        VAL  10 -15.973   3.778  -3.562
   66    HA   VAL  10           HA       VAL  10 -13.711   2.278  -4.326
   67    HB   VAL  10           HB       VAL  10 -15.290   2.150  -1.721
   68   HG11  VAL  10          HG11      VAL  10 -12.407   1.407  -2.367
   69   HG12  VAL  10          HG12      VAL  10 -13.090   1.527  -0.724
   70   HG13  VAL  10          HG13      VAL  10 -13.696   0.300  -1.841
   71   HG21  VAL  10          HG21      VAL  10 -12.914   3.879  -2.535
   72   HG22  VAL  10          HG22      VAL  10 -14.594   4.447  -2.326
   73   HG23  VAL  10          HG23      VAL  10 -13.674   3.837  -0.934
   74    H    GLU  11           H        GLU  11 -17.060   1.276  -3.994
   75    HA   GLU  11           HA       GLU  11 -16.544  -1.553  -3.719
   76    HB2  GLU  11           HB2      GLU  11 -19.035  -0.068  -4.649
   77    HB3  GLU  11           HB3      GLU  11 -18.952  -1.766  -4.110
   78    HG2  GLU  11           HG2      GLU  11 -18.140  -0.988  -1.889
   79    HG3  GLU  11           HG3      GLU  11 -18.286   0.690  -2.433
   80    H    GLY  12           H        GLY  12 -15.859   0.421  -6.267
   81    HA2  GLY  12           HA2      GLY  12 -16.601  -1.616  -8.325
   82    HA3  GLY  12           HA3      GLY  12 -16.470   0.125  -8.629
   83    H    MET  13           H        MET  13 -13.975  -0.692  -6.514
   84    HA   MET  13           HA       MET  13 -12.109  -1.581  -8.634
   85    HB2  MET  13           HB2      MET  13 -11.695   0.920  -6.934
   86    HB3  MET  13           HB3      MET  13 -10.472   0.141  -7.935
   87    HG2  MET  13           HG2      MET  13 -11.169   1.829  -9.319
   88    HG3  MET  13           HG3      MET  13 -12.108   0.456  -9.900
   89    HE1  MET  13           HE1      MET  13 -12.630   2.757  -6.691
   90    HE2  MET  13           HE2      MET  13 -11.998   3.806  -7.985
   91    HE3  MET  13           HE3      MET  13 -13.668   4.021  -7.389
   92    H    THR  14           H        THR  14  -9.837  -1.836  -7.570
   93    HA   THR  14           HA       THR  14 -10.125  -3.679  -5.368
   94    HB   THR  14           HB       THR  14  -8.465  -3.971  -7.153
   95   HG21  THR  14          HG21      THR  14  -6.396  -2.639  -7.151
   96   HG22  THR  14          HG22      THR  14  -7.810  -1.625  -7.506
   97   HG23  THR  14          HG23      THR  14  -7.061  -1.585  -5.885
   98    H    SER  15           H        SER  15  -8.381  -3.412  -3.518
   99    HA   SER  15           HA       SER  15  -8.425  -0.714  -2.324
  100    HB2  SER  15           HB2      SER  15  -9.928  -3.120  -1.233
  101    HB3  SER  15           HB3      SER  15  -9.534  -1.687  -0.258
  102    HG   SER  15           HG       SER  15 -11.062  -1.724  -2.650
  103    H    LEU  16           H        LEU  16  -6.198  -1.917  -3.177
  104    HA   LEU  16           HA       LEU  16  -4.997  -3.877  -1.481
  105    HB2  LEU  16           HB2      LEU  16  -4.447  -3.311  -3.836
  106    HB3  LEU  16           HB3      LEU  16  -3.760  -1.772  -3.310
  107    HG   LEU  16           HG       LEU  16  -2.254  -3.848  -3.841
  108   HD11  LEU  16          HD11      LEU  16  -1.492  -1.627  -3.044
  109   HD12  LEU  16          HD12      LEU  16  -1.689  -2.186  -1.365
  110   HD13  LEU  16          HD13      LEU  16  -0.522  -2.981  -2.449
  111   HD21  LEU  16          HD21      LEU  16  -1.652  -5.230  -1.983
  112   HD22  LEU  16          HD22      LEU  16  -2.739  -4.336  -0.887
  113   HD23  LEU  16          HD23      LEU  16  -3.398  -5.359  -2.199
  114    H    LYS  17           H        LYS  17  -4.897  -3.369   0.757
  115    HA   LYS  17           HA       LYS  17  -4.094  -0.627   1.409
  116    HB2  LYS  17           HB2      LYS  17  -4.910  -0.905   3.528
  117    HB3  LYS  17           HB3      LYS  17  -6.073  -1.775   2.511
  118    HG2  LYS  17           HG2      LYS  17  -5.210  -3.918   3.296
  119    HG3  LYS  17           HG3      LYS  17  -3.815  -3.102   4.065
  120    HD2  LYS  17           HD2      LYS  17  -5.406  -1.847   5.520
  121    HD3  LYS  17           HD3      LYS  17  -6.742  -2.772   4.811
  122    HE2  LYS  17           HE2      LYS  17  -6.045  -3.716   6.969
  123    HE3  LYS  17           HE3      LYS  17  -5.741  -4.867   5.655
  124    HZ1  LYS  17           HZ1      LYS  17  -3.705  -3.088   6.826
  125    HZ2  LYS  17           HZ2      LYS  17  -3.911  -4.662   7.228
  126    HZ3  LYS  17           HZ3      LYS  17  -3.447  -4.262   5.701
  127    H    VAL  18           H        VAL  18  -2.714  -0.469   3.542
  128    HA   VAL  18           HA       VAL  18  -0.261  -2.136   3.351
  129    HB   VAL  18           HB       VAL  18  -0.565   0.842   2.972
  130   HG11  VAL  18          HG11      VAL  18   2.010  -0.773   3.093
  131   HG12  VAL  18          HG12      VAL  18   1.868   0.959   2.685
  132   HG13  VAL  18          HG13      VAL  18   1.428   0.394   4.303
  133   HG21  VAL  18          HG21      VAL  18  -1.035  -0.366   0.874
  134   HG22  VAL  18          HG22      VAL  18   0.460   0.578   0.759
  135   HG23  VAL  18          HG23      VAL  18   0.548  -1.172   0.983
  136    H    ASP  19           H        ASP  19   0.800  -2.218   5.317
  137    HA   ASP  19           HA       ASP  19   0.355  -0.209   7.410
  138    HB2  ASP  19           HB2      ASP  19  -0.477  -1.821   9.025
  139    HB3  ASP  19           HB3      ASP  19  -1.572  -1.741   7.634
  140    H    ASN  20           H        ASN  20   1.580  -0.856   9.434
  141    HA   ASN  20           HA       ASN  20   3.047  -2.115  10.638
  142    HB2  ASN  20           HB2      ASN  20   3.124  -3.803   8.558
  143    HB3  ASN  20           HB3      ASN  20   4.709  -3.060   8.347
  144   HD21  ASN  20          HD22      ASN  20   6.365  -3.778   9.683
  145   HD22  ASN  20          HD21      ASN  20   6.131  -4.856  11.051
  146    H    LEU  21           H        LEU  21   3.312   0.686   9.339
  147    HA   LEU  21           HA       LEU  21   6.037   1.244   8.928
  148    HB2  LEU  21           HB2      LEU  21   5.430   3.568   9.512
  149    HB3  LEU  21           HB3      LEU  21   4.437   2.834   8.266
  150    HG   LEU  21           HG       LEU  21   2.550   2.685   9.649
  151   HD11  LEU  21          HD11      LEU  21   2.543   3.280  12.057
  152   HD12  LEU  21          HD12      LEU  21   3.468   1.806  11.734
  153   HD13  LEU  21          HD13      LEU  21   4.315   3.350  12.045
  154   HD21  LEU  21          HD21      LEU  21   3.952   5.248  10.498
  155   HD22  LEU  21          HD22      LEU  21   3.146   4.997   8.926
  156   HD23  LEU  21          HD23      LEU  21   2.202   4.964  10.429
  157    H    THR  22           H        THR  22   7.188   2.972  10.413
  158    HA   THR  22           HA       THR  22   7.664   1.602  12.995
  159    HB   THR  22           HB       THR  22   9.736   2.826  13.058
  160   HG21  THR  22          HG21      THR  22   9.684   0.873  11.543
  161   HG22  THR  22          HG22      THR  22   9.242   1.949  10.189
  162   HG23  THR  22          HG23      THR  22  10.824   2.118  10.988
  163    H    TYR  23           H        TYR  23   8.233   3.057  14.861
  164    HA   TYR  23           HA       TYR  23   6.081   4.864  15.435
  165    HB2  TYR  23           HB2      TYR  23   7.196   5.147  17.564
  166    HB3  TYR  23           HB3      TYR  23   7.177   3.451  17.107
  167    HD1  TYR  23           HD2      TYR  23   9.303   2.338  16.293
  168    HD2  TYR  23           HD1      TYR  23   9.235   6.336  17.894
  169    HE1  TYR  23           HE2      TYR  23  11.760   2.252  16.604
  170    HE2  TYR  23           HE1      TYR  23  11.698   6.241  18.219
  171    HH   TYR  23           HH       TYR  23  13.603   4.995  17.988
  172    H    ARG  24           H        ARG  24   8.459   5.413  13.300
  173    HA   ARG  24           HA       ARG  24   8.723   8.304  14.012
  174    HB2  ARG  24           HB2      ARG  24  10.794   6.455  12.761
  175    HB3  ARG  24           HB3      ARG  24  10.995   8.200  12.976
  176    HG2  ARG  24           HG2      ARG  24  10.659   6.142  15.186
  177    HG3  ARG  24           HG3      ARG  24  12.177   6.925  14.717
  178    HD2  ARG  24           HD2      ARG  24   9.715   8.354  15.780
  179    HD3  ARG  24           HD3      ARG  24  11.171   7.991  16.720
  180    HE   ARG  24           HE       ARG  24  12.139   9.388  14.542
  181   HH11  ARG  24          HH11      ARG  24   9.715  10.037  17.027
  182   HH12  ARG  24          HH12      ARG  24   9.967  11.766  17.002
  183   HH21  ARG  24          HH21      ARG  24  12.450  11.662  14.521
  184   HH22  ARG  24          HH22      ARG  24  11.507  12.678  15.577
  185    H    THR  25           H        THR  25   7.623   5.990  11.766
  186    HA   THR  25           HA       THR  25   8.042   7.480   9.319
  187    HB   THR  25           HB       THR  25   5.964   5.378  10.050
  188   HG21  THR  25          HG21      THR  25   6.964   6.428   7.374
  189   HG22  THR  25          HG22      THR  25   6.086   4.896   7.574
  190   HG23  THR  25          HG23      THR  25   5.288   6.425   7.983
  191    H    SER  26           H        SER  26   6.265   8.459   8.057
  192    HA   SER  26           HA       SER  26   4.002   9.529   9.646
  193    HB2  SER  26           HB2      SER  26   5.962  11.180   7.990
  194    HB3  SER  26           HB3      SER  26   4.447  11.791   8.689
  195    HG   SER  26           HG       SER  26   6.293  12.193  10.005
  196    HA   PRO  27           HA       PRO  27   1.782   8.437   6.099
  197    HB2  PRO  27           HB2      PRO  27  -0.292  10.198   6.023
  198    HB3  PRO  27           HB3      PRO  27  -0.088   8.994   7.340
  199    HG2  PRO  27           HG2      PRO  27   0.736  11.915   7.342
  200    HG3  PRO  27           HG3      PRO  27  -0.186  11.028   8.608
  201    HD2  PRO  27           HD2      PRO  27   2.493  11.417   8.805
  202    HD3  PRO  27           HD3      PRO  27   1.738   9.886   9.344
  203    H    ASP  28           H        ASP  28   3.082  11.736   6.189
  204    HA   ASP  28           HA       ASP  28   2.412  12.329   3.422
  205    HB2  ASP  28           HB2      ASP  28   4.525  13.476   5.306
  206    HB3  ASP  28           HB3      ASP  28   4.070  14.161   3.737
  207    H    THR  29           H        THR  29   4.917  10.647   5.210
  208    HA   THR  29           HA       THR  29   6.852  10.535   3.057
  209    HB   THR  29           HB       THR  29   6.644   8.415   5.181
  210   HG21  THR  29          HG21      THR  29   8.934  10.058   4.048
  211   HG22  THR  29          HG22      THR  29   9.088   8.706   5.204
  212   HG23  THR  29          HG23      THR  29   8.484   8.405   3.557
  213    H    LEU  30           H        LEU  30   4.414   8.251   4.462
  214    HA   LEU  30           HA       LEU  30   4.920   6.176   2.581
  215    HB2  LEU  30           HB2      LEU  30   2.362   6.826   4.094
  216    HB3  LEU  30           HB3      LEU  30   2.755   5.292   3.290
  217    HG   LEU  30           HG       LEU  30   4.399   6.446   5.573
  218   HD11  LEU  30          HD11      LEU  30   2.221   4.315   5.504
  219   HD12  LEU  30          HD12      LEU  30   3.265   4.666   6.901
  220   HD13  LEU  30          HD13      LEU  30   2.125   5.899   6.311
  221   HD21  LEU  30          HD21      LEU  30   5.294   4.130   5.660
  222   HD22  LEU  30          HD22      LEU  30   4.337   3.705   4.227
  223   HD23  LEU  30          HD23      LEU  30   5.651   4.899   4.103
  224    H    ARG  31           H        ARG  31   2.919   9.105   2.437
  225    HA   ARG  31           HA       ARG  31   1.297   8.316   0.212
  226    HB2  ARG  31           HB2      ARG  31   0.622  10.232   1.497
  227    HB3  ARG  31           HB3      ARG  31   2.206  10.991   1.329
  228    HG2  ARG  31           HG2      ARG  31   0.577  12.106  -0.117
  229    HG3  ARG  31           HG3      ARG  31   1.844  11.330  -1.072
  230    HD2  ARG  31           HD2      ARG  31   0.258   9.332  -1.314
  231    HD3  ARG  31           HD3      ARG  31  -1.008  10.362  -0.617
  232    HE   ARG  31           HE       ARG  31   0.403  10.731  -3.225
  233   HH11  ARG  31          HH11      ARG  31  -2.235  11.686  -1.054
  234   HH12  ARG  31          HH12      ARG  31  -3.056  12.600  -2.299
  235   HH21  ARG  31          HH21      ARG  31  -0.648  11.915  -4.767
  236   HH22  ARG  31          HH22      ARG  31  -2.151  12.743  -4.416
  237    H    ARG  32           H        ARG  32   4.494   9.929   0.396
  238    HA   ARG  32           HA       ARG  32   4.672  10.111  -2.530
  239    HB2  ARG  32           HB2      ARG  32   5.672  11.802  -1.018
  240    HB3  ARG  32           HB3      ARG  32   6.691  10.557  -0.281
  241    HG2  ARG  32           HG2      ARG  32   7.765  10.147  -2.493
  242    HG3  ARG  32           HG3      ARG  32   6.797  11.463  -3.192
  243    HD2  ARG  32           HD2      ARG  32   8.715  11.715  -0.836
  244    HD3  ARG  32           HD3      ARG  32   9.100  12.175  -2.511
  245    HE   ARG  32           HE       ARG  32   6.755  13.557  -1.848
  246   HH11  ARG  32          HH11      ARG  32  10.102  13.429  -0.721
  247   HH12  ARG  32          HH12      ARG  32  10.103  15.088  -0.167
  248   HH21  ARG  32          HH21      ARG  32   6.781  15.720  -1.110
  249   HH22  ARG  32          HH22      ARG  32   8.234  16.384  -0.403
  250    H    VAL  33           H        VAL  33   6.038   8.121   0.066
  251    HA   VAL  33           HA       VAL  33   7.871   6.571  -1.426
  252    HB   VAL  33           HB       VAL  33   6.286   6.155   1.120
  253   HG11  VAL  33          HG11      VAL  33   7.653   4.195   1.617
  254   HG12  VAL  33          HG12      VAL  33   6.589   3.921   0.220
  255   HG13  VAL  33          HG13      VAL  33   8.326   4.233  -0.034
  256   HG21  VAL  33          HG21      VAL  33   8.168   7.798   1.039
  257   HG22  VAL  33          HG22      VAL  33   8.453   6.453   2.168
  258   HG23  VAL  33          HG23      VAL  33   9.265   6.478   0.580
  259    H    PHE  34           H        PHE  34   4.328   6.291  -1.088
  260    HA   PHE  34           HA       PHE  34   4.436   3.721  -2.582
  261    HB2  PHE  34           HB2      PHE  34   2.438   5.083  -0.808
  262    HB3  PHE  34           HB3      PHE  34   1.898   3.886  -1.983
  263    HD1  PHE  34           HD2      PHE  34   4.122   4.344   0.971
  264    HD2  PHE  34           HD1      PHE  34   2.213   1.587  -1.705
  265    HE1  PHE  34           HE2      PHE  34   4.764   2.461   2.461
  266    HE2  PHE  34           HE1      PHE  34   2.843  -0.305  -0.217
  267    HZ   PHE  34           HZ       PHE  34   4.138   0.139   1.865
  268    H    GLU  35           H        GLU  35   3.939   7.066  -3.083
  269    HA   GLU  35           HA       GLU  35   1.930   6.833  -5.145
  270    HB2  GLU  35           HB2      GLU  35   2.211   8.919  -4.006
  271    HB3  GLU  35           HB3      GLU  35   3.914   9.046  -4.532
  272    HG2  GLU  35           HG2      GLU  35   3.220   9.371  -6.819
  273    HG3  GLU  35           HG3      GLU  35   1.544   8.935  -6.426
  274    H    LYS  36           H        LYS  36   5.408   6.353  -5.025
  275    HA   LYS  36           HA       LYS  36   5.965   6.769  -7.800
  276    HB2  LYS  36           HB2      LYS  36   8.094   5.792  -7.317
  277    HB3  LYS  36           HB3      LYS  36   7.597   6.730  -5.887
  278    HG2  LYS  36           HG2      LYS  36   6.851   4.659  -4.779
  279    HG3  LYS  36           HG3      LYS  36   7.325   3.711  -6.204
  280    HD2  LYS  36           HD2      LYS  36   9.050   3.556  -4.503
  281    HD3  LYS  36           HD3      LYS  36   9.676   4.436  -5.916
  282    HE2  LYS  36           HE2      LYS  36   9.261   6.587  -4.752
  283    HE3  LYS  36           HE3      LYS  36   8.599   5.701  -3.365
  284    HZ1  LYS  36           HZ1      LYS  36  10.904   6.324  -3.052
  285    HZ2  LYS  36           HZ2      LYS  36  10.753   4.685  -3.072
  286    HZ3  LYS  36           HZ3      LYS  36  11.355   5.471  -4.382
  287    H    TYR  37           H        TYR  37   4.487   4.166  -6.062
  288    HA   TYR  37           HA       TYR  37   4.990   2.108  -8.052
  289    HB2  TYR  37           HB2      TYR  37   3.056   2.272  -5.719
  290    HB3  TYR  37           HB3      TYR  37   3.288   0.840  -6.721
  291    HD1  TYR  37           HD1      TYR  37   5.057   3.170  -4.435
  292    HD2  TYR  37           HD2      TYR  37   5.076  -0.647  -6.395
  293    HE1  TYR  37           HE1      TYR  37   7.070   2.534  -3.134
  294    HE2  TYR  37           HE2      TYR  37   7.080  -1.315  -5.093
  295    HH   TYR  37           HH       TYR  37   8.657   0.896  -2.756
  296    H    GLY  38           H        GLY  38   2.956   4.835  -7.949
  297    HA2  GLY  38           HA2      GLY  38   2.030   4.763 -10.490
  298    HA3  GLY  38           HA3      GLY  38   0.850   3.723  -9.642
  299    H    ARG  39           H        ARG  39  -0.407   4.547  -7.987
  300    HA   ARG  39           HA       ARG  39  -0.151   7.252  -7.002
  301    HB2  ARG  39           HB2      ARG  39  -2.345   8.030  -7.756
  302    HB3  ARG  39           HB3      ARG  39  -1.305   7.679  -9.143
  303    HG2  ARG  39           HG2      ARG  39  -2.450   5.449  -9.396
  304    HG3  ARG  39           HG3      ARG  39  -3.576   5.932  -8.102
  305    HD2  ARG  39           HD2      ARG  39  -3.155   7.427 -10.708
  306    HD3  ARG  39           HD3      ARG  39  -4.508   6.331 -10.336
  307    HE   ARG  39           HE       ARG  39  -4.465   8.245  -8.288
  308   HH11  ARG  39          HH11      ARG  39  -4.913   8.196 -11.791
  309   HH12  ARG  39          HH12      ARG  39  -5.970   9.588 -11.794
  310   HH21  ARG  39          HH21      ARG  39  -5.812  10.078  -8.317
  311   HH22  ARG  39          HH22      ARG  39  -6.463  10.669  -9.827
  312    H    VAL  40           H        VAL  40  -0.658   7.027  -4.860
  313    HA   VAL  40           HA       VAL  40  -2.040   4.691  -3.918
  314    HB   VAL  40           HB       VAL  40  -1.955   5.589  -1.772
  315   HG11  VAL  40          HG11      VAL  40   0.233   5.050  -2.824
  316   HG12  VAL  40          HG12      VAL  40   0.453   6.773  -3.199
  317   HG13  VAL  40          HG13      VAL  40   0.346   6.239  -1.508
  318   HG21  VAL  40          HG21      VAL  40  -2.966   7.803  -2.102
  319   HG22  VAL  40          HG22      VAL  40  -1.455   7.916  -1.194
  320   HG23  VAL  40          HG23      VAL  40  -1.479   8.366  -2.916
  321    H    GLY  41           H        GLY  41  -4.258   4.358  -3.702
  322    HA2  GLY  41           HA2      GLY  41  -6.053   6.285  -4.970
  323    HA3  GLY  41           HA3      GLY  41  -6.490   4.711  -4.242
  324    H    ASP  42           H        ASP  42  -4.965   5.469  -1.755
  325    HA   ASP  42           HA       ASP  42  -6.114   7.857  -0.647
  326    HB2  ASP  42           HB2      ASP  42  -8.100   6.245  -0.649
  327    HB3  ASP  42           HB3      ASP  42  -7.174   5.230   0.468
  328    H    VAL  43           H        VAL  43  -5.563   7.973   1.751
  329    HA   VAL  43           HA       VAL  43  -3.728   5.981   2.824
  330    HB   VAL  43           HB       VAL  43  -2.123   7.254   1.543
  331   HG11  VAL  43          HG11      VAL  43  -3.253   9.737   2.898
  332   HG12  VAL  43          HG12      VAL  43  -1.812   9.695   1.872
  333   HG13  VAL  43          HG13      VAL  43  -3.411   9.334   1.181
  334   HG21  VAL  43          HG21      VAL  43  -1.987   8.190   4.444
  335   HG22  VAL  43          HG22      VAL  43  -1.483   6.592   3.869
  336   HG23  VAL  43          HG23      VAL  43  -0.640   8.048   3.304
  337    H    TYR  44           H        TYR  44  -3.722   6.051   5.084
  338    HA   TYR  44           HA       TYR  44  -4.941   8.322   6.482
  339    HB2  TYR  44           HB2      TYR  44  -6.779   6.841   5.405
  340    HB3  TYR  44           HB3      TYR  44  -6.359   5.661   6.646
  341    HD1  TYR  44           HD1      TYR  44  -6.979   9.359   6.379
  342    HD2  TYR  44           HD2      TYR  44  -7.718   5.726   8.546
  343    HE1  TYR  44           HE1      TYR  44  -8.518  10.592   7.895
  344    HE2  TYR  44           HE2      TYR  44  -9.251   6.938  10.071
  345    HH   TYR  44           HH       TYR  44  -9.927  10.441   9.717
  346    H    ILE  45           H        ILE  45  -4.919   8.040   8.792
  347    HA   ILE  45           HA       ILE  45  -3.639   5.623   9.895
  348    HB   ILE  45           HB       ILE  45  -2.655   8.448  10.428
  349   HG12  ILE  45          HG12      ILE  45  -1.224   5.920   9.483
  350   HG13  ILE  45          HG13      ILE  45  -1.670   7.285   8.437
  351   HG21  ILE  45          HG21      ILE  45  -2.918   7.140  12.550
  352   HG22  ILE  45          HG22      ILE  45  -1.966   5.824  11.829
  353   HG23  ILE  45          HG23      ILE  45  -1.217   7.400  12.167
  354   HD11  ILE  45          HD11      ILE  45  -0.226   8.772   9.836
  355   HD12  ILE  45          HD12      ILE  45   0.314   7.339  10.744
  356   HD13  ILE  45          HD13      ILE  45   0.668   7.474   9.012
  357    HA   PRO  46           HA       PRO  46  -7.471   6.971  11.839
  358    HB2  PRO  46           HB2      PRO  46  -8.512   4.509  12.390
  359    HB3  PRO  46           HB3      PRO  46  -8.436   5.146  10.709
  360    HG2  PRO  46           HG2      PRO  46  -6.483   3.284  12.073
  361    HG3  PRO  46           HG3      PRO  46  -7.266   3.073  10.463
  362    HD2  PRO  46           HD2      PRO  46  -4.761   4.128  10.743
  363    HD3  PRO  46           HD3      PRO  46  -5.890   4.718   9.487
  364    H    ARG  47           H        ARG  47  -4.851   5.252  13.060
  365    HA   ARG  47           HA       ARG  47  -4.406   4.232  15.138
  366    HB2  ARG  47           HB2      ARG  47  -3.888   6.130  16.746
  367    HB3  ARG  47           HB3      ARG  47  -3.132   6.165  15.157
  368    HG2  ARG  47           HG2      ARG  47  -4.856   7.803  14.380
  369    HG3  ARG  47           HG3      ARG  47  -5.509   7.857  16.036
  370    HD2  ARG  47           HD2      ARG  47  -3.275   8.555  16.864
  371    HD3  ARG  47           HD3      ARG  47  -2.634   8.463  15.221
  372    HE   ARG  47           HE       ARG  47  -4.893  10.172  15.165
  373   HH11  ARG  47          HH11      ARG  47  -1.634  10.122  16.542
  374   HH12  ARG  47          HH12      ARG  47  -1.461  11.861  16.493
  375   HH21  ARG  47          HH21      ARG  47  -4.633  12.443  15.119
  376   HH22  ARG  47          HH22      ARG  47  -3.157  13.166  15.706
  377    H    ASP  48           H        ASP  48  -5.926   6.539  17.180
  378    HA   ASP  48           HA       ASP  48  -8.516   5.143  17.282
  379    HB2  ASP  48           HB2      ASP  48  -6.512   5.205  19.543
  380    HB3  ASP  48           HB3      ASP  48  -8.259   5.229  19.864
  381    H    ARG  49           H        ARG  49 -10.072   6.538  17.522
  382    HA   ARG  49           HA       ARG  49  -9.467   9.352  17.398
  383    HB2  ARG  49           HB2      ARG  49 -11.170   7.951  16.096
  384    HB3  ARG  49           HB3      ARG  49 -12.178   7.995  17.556
  385    HG2  ARG  49           HG2      ARG  49 -12.280  10.468  17.391
  386    HG3  ARG  49           HG3      ARG  49 -11.213  10.407  15.965
  387    HD2  ARG  49           HD2      ARG  49 -12.846   8.979  14.799
  388    HD3  ARG  49           HD3      ARG  49 -13.914   9.003  16.210
  389    HE   ARG  49           HE       ARG  49 -13.645  11.026  14.163
  390   HH11  ARG  49          HH11      ARG  49 -14.391  10.598  17.599
  391   HH12  ARG  49          HH12      ARG  49 -15.368  12.045  17.677
  392   HH21  ARG  49          HH21      ARG  49 -14.933  12.844  14.281
  393   HH22  ARG  49          HH22      ARG  49 -15.656  13.351  15.797
  394    H    TYR  50           H        TYR  50  -9.109   7.759  20.040
  395    HA   TYR  50           HA       TYR  50 -10.498   9.772  21.745
  396    HB2  TYR  50           HB2      TYR  50 -10.299   6.871  22.556
  397    HB3  TYR  50           HB3      TYR  50 -11.268   8.147  23.289
  398    HD1  TYR  50           HD1      TYR  50 -13.171   9.151  21.752
  399    HD2  TYR  50           HD2      TYR  50 -11.251   5.359  21.118
  400    HE1  TYR  50           HE1      TYR  50 -15.147   8.376  20.447
  401    HE2  TYR  50           HE2      TYR  50 -13.212   4.571  19.830
  402    HH   TYR  50           HH       TYR  50 -16.085   6.658  19.276
  403    H    THR  51           H        THR  51  -7.671   7.993  20.962
  404    HA   THR  51           HA       THR  51  -6.361   8.912  23.480
  405    HB   THR  51           HB       THR  51  -5.161   6.816  23.634
  406   HG21  THR  51          HG21      THR  51  -8.079   6.128  23.075
  407   HG22  THR  51          HG22      THR  51  -6.948   5.256  24.131
  408   HG23  THR  51          HG23      THR  51  -7.502   6.879  24.585
  409    H    LYS  52           H        LYS  52  -6.331   8.545  20.021
  410    HA   LYS  52           HA       LYS  52  -4.893   9.038  18.414
  411    HB2  LYS  52           HB2      LYS  52  -4.375  11.364  20.303
  412    HB3  LYS  52           HB3      LYS  52  -4.022  11.359  18.564
  413    HG2  LYS  52           HG2      LYS  52  -6.437  10.910  18.098
  414    HG3  LYS  52           HG3      LYS  52  -6.779  11.038  19.835
  415    HD2  LYS  52           HD2      LYS  52  -5.568  13.241  18.106
  416    HD3  LYS  52           HD3      LYS  52  -7.257  13.160  18.638
  417    HE2  LYS  52           HE2      LYS  52  -6.498  13.236  21.002
  418    HE3  LYS  52           HE3      LYS  52  -4.816  13.339  20.451
  419    HZ1  LYS  52           HZ1      LYS  52  -6.932  15.303  19.845
  420    HZ2  LYS  52           HZ2      LYS  52  -5.719  15.496  20.946
  421    HZ3  LYS  52           HZ3      LYS  52  -5.365  15.392  19.353
  422    H    GLU  53           H        GLU  53  -3.652   7.152  20.219
  423    HA   GLU  53           HA       GLU  53  -0.803   7.929  19.805
  424    HB2  GLU  53           HB2      GLU  53  -0.204   6.948  21.941
  425    HB3  GLU  53           HB3      GLU  53  -1.402   8.230  22.191
  426    HG2  GLU  53           HG2      GLU  53  -3.192   6.525  22.356
  427    HG3  GLU  53           HG3      GLU  53  -2.000   5.243  22.100
  428    H    SER  54           H        SER  54  -3.065   5.957  18.666
  429    HA   SER  54           HA       SER  54  -1.503   3.457  18.759
  430    HB2  SER  54           HB2      SER  54  -4.215   4.105  17.558
  431    HB3  SER  54           HB3      SER  54  -3.475   2.488  17.647
  432    HG   SER  54           HG       SER  54  -4.936   3.014  19.383
  433    H    ARG  55           H        ARG  55  -0.528   5.887  17.391
  434    HA   ARG  55           HA       ARG  55  -0.670   5.727  14.574
  435    HB2  ARG  55           HB2      ARG  55   0.131   7.634  15.896
  436    HB3  ARG  55           HB3      ARG  55   1.518   6.692  16.453
  437    HG2  ARG  55           HG2      ARG  55   2.448   6.628  14.194
  438    HG3  ARG  55           HG3      ARG  55   0.996   7.434  13.539
  439    HD2  ARG  55           HD2      ARG  55   1.494   9.435  14.832
  440    HD3  ARG  55           HD3      ARG  55   2.805   8.594  15.687
  441    HE   ARG  55           HE       ARG  55   3.484   8.390  13.004
  442   HH11  ARG  55          HH11      ARG  55   2.844  11.040  15.242
  443   HH12  ARG  55          HH12      ARG  55   3.920  12.152  14.417
  444   HH21  ARG  55          HH21      ARG  55   4.929   9.835  11.993
  445   HH22  ARG  55          HH22      ARG  55   5.074  11.474  12.576
  446    H    GLY  56           H        GLY  56   0.263   3.267  16.491
  447    HA2  GLY  56           HA2      GLY  56   2.753   2.347  15.586
  448    HA3  GLY  56           HA3      GLY  56   1.439   1.336  16.214
  449    H    PHE  57           H        PHE  57  -0.035   2.723  13.612
  450    HA   PHE  57           HA       PHE  57   1.304   1.197  11.494
  451    HB2  PHE  57           HB2      PHE  57  -0.357  -0.315  11.032
  452    HB3  PHE  57           HB3      PHE  57  -0.276  -0.382  12.788
  453    HD1  PHE  57           HD1      PHE  57  -1.945   1.433  13.982
  454    HD2  PHE  57           HD2      PHE  57  -2.419  -0.228  10.041
  455    HE1  PHE  57           HE1      PHE  57  -4.365   1.910  14.070
  456    HE2  PHE  57           HE2      PHE  57  -4.823   0.292  10.103
  457    HZ   PHE  57           HZ       PHE  57  -5.826   1.299  12.150
  458    H    ALA  58           H        ALA  58  -0.245   1.290   9.476
  459    HA   ALA  58           HA       ALA  58  -1.584   3.911   9.261
  460    HB1  ALA  58           HB1      ALA  58   0.748   3.029   7.498
  461    HB2  ALA  58           HB2      ALA  58  -0.248   4.480   7.249
  462    HB3  ALA  58           HB3      ALA  58   0.778   4.355   8.689
  463    H    PHE  59           H        PHE  59  -2.290   4.085   6.783
  464    HA   PHE  59           HA       PHE  59  -3.302   1.477   5.843
  465    HB2  PHE  59           HB2      PHE  59  -4.776   2.581   7.638
  466    HB3  PHE  59           HB3      PHE  59  -5.139   3.811   6.430
  467    HD1  PHE  59           HD2      PHE  59  -5.118   1.541   4.096
  468    HD2  PHE  59           HD1      PHE  59  -7.088   2.044   7.888
  469    HE1  PHE  59           HE2      PHE  59  -6.984   0.096   3.328
  470    HE2  PHE  59           HE1      PHE  59  -8.932   0.582   7.118
  471    HZ   PHE  59           HZ       PHE  59  -8.871  -0.404   4.841
  472    H    VAL  60           H        VAL  60  -1.509   2.412   4.226
  473    HA   VAL  60           HA       VAL  60  -2.614   4.411   2.355
  474    HB   VAL  60           HB       VAL  60  -0.282   2.456   2.005
  475   HG11  VAL  60          HG11      VAL  60  -1.197   2.926  -0.174
  476   HG12  VAL  60          HG12      VAL  60  -1.295   4.668   0.198
  477   HG13  VAL  60          HG13      VAL  60   0.281   3.861   0.050
  478   HG21  VAL  60          HG21      VAL  60  -0.327   5.466   2.408
  479   HG22  VAL  60          HG22      VAL  60   0.080   4.280   3.675
  480   HG23  VAL  60          HG23      VAL  60   1.101   4.429   2.222
  481    H    ARG  61           H        ARG  61  -3.397   3.841   0.167
  482    HA   ARG  61           HA       ARG  61  -4.093   1.012  -0.198
  483    HB2  ARG  61           HB2      ARG  61  -5.881   1.921   1.194
  484    HB3  ARG  61           HB3      ARG  61  -6.213   3.194  -0.007
  485    HG2  ARG  61           HG2      ARG  61  -7.018   1.604  -1.596
  486    HG3  ARG  61           HG3      ARG  61  -6.292   0.249  -0.714
  487    HD2  ARG  61           HD2      ARG  61  -8.692   0.250  -0.365
  488    HD3  ARG  61           HD3      ARG  61  -7.861   0.578   1.152
  489    HE   ARG  61           HE       ARG  61  -9.479   2.472  -0.461
  490   HH11  ARG  61          HH21      ARG  61  -7.373   2.021   2.364
  491   HH12  ARG  61          HH22      ARG  61  -8.103   3.357   3.228
  492   HH21  ARG  61          HH11      ARG  61 -10.395   4.196   0.752
  493   HH22  ARG  61          HH12      ARG  61  -9.793   4.501   2.374
  494    H    PHE  62           H        PHE  62  -4.912   0.543  -2.347
  495    HA   PHE  62           HA       PHE  62  -4.614   2.717  -4.373
  496    HB2  PHE  62           HB2      PHE  62  -3.659  -0.148  -4.661
  497    HB3  PHE  62           HB3      PHE  62  -3.665   1.076  -5.927
  498    HD1  PHE  62           HD2      PHE  62  -2.329   0.463  -2.472
  499    HD2  PHE  62           HD1      PHE  62  -1.739   2.365  -6.289
  500    HE1  PHE  62           HE2      PHE  62  -0.092   1.191  -1.752
  501    HE2  PHE  62           HE1      PHE  62   0.538   3.039  -5.594
  502    HZ   PHE  62           HZ       PHE  62   1.389   2.420  -3.359
  503    H    HIS  63           H        HIS  63  -5.683   2.165  -6.430
  504    HA   HIS  63           HA       HIS  63  -8.106   0.503  -6.051
  505    HB2  HIS  63           HB2      HIS  63  -9.556   2.236  -6.619
  506    HB3  HIS  63           HB3      HIS  63  -8.459   2.925  -5.416
  507    HD2  HIS  63           HD2      HIS  63  -6.158   4.229  -6.848
  508    HE1  HIS  63           HE1      HIS  63  -8.815   5.713  -9.822
  509    HE2  HIS  63           HE2      HIS  63  -6.495   5.951  -8.795
  510    H    ASP  64           H        ASP  64  -5.482   0.637  -7.757
  511    HA   ASP  64           HA       ASP  64  -6.902  -0.283 -10.207
  512    HB2  ASP  64           HB2      ASP  64  -5.889   1.985 -10.581
  513    HB3  ASP  64           HB3      ASP  64  -4.297   1.277 -10.247
  514    H    LYS  65           H        LYS  65  -6.216  -2.255 -10.907
  515    HA   LYS  65           HA       LYS  65  -4.910  -3.868  -8.986
  516    HB2  LYS  65           HB2      LYS  65  -5.156  -5.659 -10.599
  517    HB3  LYS  65           HB3      LYS  65  -6.627  -4.675 -10.541
  518    HG2  LYS  65           HG2      LYS  65  -5.891  -3.486 -12.611
  519    HG3  LYS  65           HG3      LYS  65  -4.413  -4.465 -12.639
  520    HD2  LYS  65           HD2      LYS  65  -6.069  -5.370 -14.195
  521    HD3  LYS  65           HD3      LYS  65  -5.741  -6.520 -12.881
  522    HE2  LYS  65           HE2      LYS  65  -7.790  -5.784 -11.719
  523    HE3  LYS  65           HE3      LYS  65  -8.099  -4.600 -12.999
  524    HZ1  LYS  65           HZ1      LYS  65  -7.999  -7.520 -13.372
  525    HZ2  LYS  65           HZ2      LYS  65  -9.369  -6.618 -13.313
  526    HZ3  LYS  65           HZ3      LYS  65  -8.316  -6.417 -14.551
  527    H    ARG  66           H        ARG  66  -3.553  -2.151 -11.815
  528    HA   ARG  66           HA       ARG  66  -1.269  -3.927 -11.946
  529    HB2  ARG  66           HB2      ARG  66  -0.527  -2.550 -13.709
  530    HB3  ARG  66           HB3      ARG  66  -2.288  -2.497 -13.804
  531    HG2  ARG  66           HG2      ARG  66  -2.091  -0.317 -12.373
  532    HG3  ARG  66           HG3      ARG  66  -0.362  -0.384 -12.785
  533    HD2  ARG  66           HD2      ARG  66  -1.405   1.023 -14.407
  534    HD3  ARG  66           HD3      ARG  66  -1.074  -0.520 -15.224
  535    HE   ARG  66           HE       ARG  66  -3.728  -0.307 -13.993
  536   HH11  ARG  66          HH11      ARG  66  -1.843   0.286 -16.925
  537   HH12  ARG  66          HH12      ARG  66  -3.248   0.269 -17.969
  538   HH21  ARG  66          HH21      ARG  66  -5.529  -0.319 -15.364
  539   HH22  ARG  66          HH22      ARG  66  -5.322  -0.085 -17.092
  540    H    ASP  67           H        ASP  67  -1.927  -0.771 -10.422
  541    HA   ASP  67           HA       ASP  67   0.803  -0.473  -9.447
  542    HB2  ASP  67           HB2      ASP  67  -1.778   0.882  -8.574
  543    HB3  ASP  67           HB3      ASP  67  -0.131   1.435  -8.217
  544    H    ALA  68           H        ALA  68  -2.242  -1.893  -8.355
  545    HA   ALA  68           HA       ALA  68  -1.569  -2.130  -5.573
  546    HB1  ALA  68           HB1      ALA  68  -3.875  -2.220  -6.381
  547    HB2  ALA  68           HB2      ALA  68  -3.496  -3.633  -7.402
  548    HB3  ALA  68           HB3      ALA  68  -3.475  -3.785  -5.637
  549    H    GLU  69           H        GLU  69  -1.318  -4.448  -8.372
  550    HA   GLU  69           HA       GLU  69  -0.335  -6.547  -6.673
  551    HB2  GLU  69           HB2      GLU  69  -0.183  -6.143  -9.686
  552    HB3  GLU  69           HB3      GLU  69   0.348  -7.610  -8.838
  553    HG2  GLU  69           HG2      GLU  69  -1.928  -7.885  -7.894
  554    HG3  GLU  69           HG3      GLU  69  -2.482  -6.487  -8.831
  555    H    ASP  70           H        ASP  70   1.305  -3.917  -8.495
  556    HA   ASP  70           HA       ASP  70   3.938  -5.044  -8.022
  557    HB2  ASP  70           HB2      ASP  70   2.936  -2.262  -8.726
  558    HB3  ASP  70           HB3      ASP  70   4.642  -2.662  -8.510
  559    H    ALA  71           H        ALA  71   1.797  -2.736  -6.303
  560    HA   ALA  71           HA       ALA  71   3.733  -1.707  -4.530
  561    HB1  ALA  71           HB1      ALA  71   1.758  -1.113  -3.124
  562    HB2  ALA  71           HB2      ALA  71   1.552  -0.672  -4.833
  563    HB3  ALA  71           HB3      ALA  71   0.739  -2.114  -4.178
  564    H    MET  72           H        MET  72   1.830  -4.754  -4.384
  565    HA   MET  72           HA       MET  72   2.884  -5.216  -1.655
  566    HB2  MET  72           HB2      MET  72   1.457  -7.143  -1.581
  567    HB3  MET  72           HB3      MET  72   0.522  -5.806  -2.297
  568    HG2  MET  72           HG2      MET  72   1.143  -6.643  -4.540
  569    HG3  MET  72           HG3      MET  72   1.898  -8.064  -3.788
  570    HE1  MET  72           HE1      MET  72  -0.007  -8.395  -6.078
  571    HE2  MET  72           HE2      MET  72   0.578  -9.801  -5.165
  572    HE3  MET  72           HE3      MET  72  -1.152  -9.642  -5.532
  573    H    ASP  73           H        ASP  73   3.498  -6.200  -5.002
  574    HA   ASP  73           HA       ASP  73   5.116  -8.485  -4.379
  575    HB2  ASP  73           HB2      ASP  73   4.072  -8.067  -6.577
  576    HB3  ASP  73           HB3      ASP  73   5.110  -6.650  -6.806
  577    H    ALA  74           H        ALA  74   5.640  -5.156  -3.842
  578    HA   ALA  74           HA       ALA  74   8.582  -5.635  -3.608
  579    HB1  ALA  74           HB1      ALA  74   8.863  -3.274  -4.390
  580    HB2  ALA  74           HB2      ALA  74   8.123  -4.333  -5.625
  581    HB3  ALA  74           HB3      ALA  74   7.098  -3.235  -4.671
  582    H    MET  75           H        MET  75   5.714  -4.623  -1.995
  583    HA   MET  75           HA       MET  75   7.453  -3.454   0.165
  584    HB2  MET  75           HB2      MET  75   4.532  -2.918  -0.376
  585    HB3  MET  75           HB3      MET  75   5.460  -2.266   0.968
  586    HG2  MET  75           HG2      MET  75   6.109  -1.718  -1.953
  587    HG3  MET  75           HG3      MET  75   5.105  -0.693  -0.946
  588    HE1  MET  75           HE1      MET  75   6.115   1.491   0.141
  589    HE2  MET  75           HE2      MET  75   7.648   1.884  -0.666
  590    HE3  MET  75           HE3      MET  75   6.272   1.221  -1.599
  591    H    ASP  76           H        ASP  76   5.118  -6.050  -0.566
  592    HA   ASP  76           HA       ASP  76   4.445  -6.372   2.217
  593    HB2  ASP  76           HB2      ASP  76   2.993  -7.087   0.272
  594    HB3  ASP  76           HB3      ASP  76   4.142  -8.402  -0.037
  595    H    GLY  77           H        GLY  77   6.954  -6.147   2.451
  596    HA2  GLY  77           HA2      GLY  77   8.069  -8.214   3.830
  597    HA3  GLY  77           HA3      GLY  77   8.498  -8.608   2.148
  598    H    ALA  78           H        ALA  78   8.309  -5.213   2.389
  599    HA   ALA  78           HA       ALA  78  11.178  -4.983   2.145
  600    HB1  ALA  78           HB1      ALA  78   8.953  -2.914   2.325
  601    HB2  ALA  78           HB2      ALA  78  10.641  -2.593   1.842
  602    HB3  ALA  78           HB3      ALA  78   9.601  -3.625   0.834
  603    H    VAL  79           H        VAL  79  11.995  -2.791   3.382
  604    HA   VAL  79           HA       VAL  79  11.272  -2.989   6.252
  605    HB   VAL  79           HB       VAL  79  14.095  -3.063   5.086
  606   HG11  VAL  79          HG11      VAL  79  14.060  -1.604   7.055
  607   HG12  VAL  79          HG12      VAL  79  13.247  -2.879   8.002
  608   HG13  VAL  79          HG13      VAL  79  14.895  -3.129   7.403
  609   HG21  VAL  79          HG21      VAL  79  14.266  -5.191   6.343
  610   HG22  VAL  79          HG22      VAL  79  12.569  -5.037   6.841
  611   HG23  VAL  79          HG23      VAL  79  12.986  -5.269   5.122
  612    H    LEU  80           H        LEU  80  10.708  -1.037   6.965
  613    HA   LEU  80           HA       LEU  80  11.090   1.321   5.371
  614    HB2  LEU  80           HB2      LEU  80   9.168   0.749   6.944
  615    HB3  LEU  80           HB3      LEU  80  10.238   1.080   8.293
  616    HG   LEU  80           HG       LEU  80   8.687   2.912   7.767
  617   HD11  LEU  80          HD11      LEU  80  11.526   3.809   7.180
  618   HD12  LEU  80          HD12      LEU  80  10.209   4.761   7.881
  619   HD13  LEU  80          HD13      LEU  80  10.908   3.409   8.805
  620   HD21  LEU  80          HD21      LEU  80   8.618   2.569   5.293
  621   HD22  LEU  80          HD22      LEU  80   8.901   4.255   5.759
  622   HD23  LEU  80          HD23      LEU  80  10.254   3.257   5.182
  623    H    ASP  81           H        ASP  81  12.293   0.381   8.620
  624    HA   ASP  81           HA       ASP  81  14.881   1.666   8.048
  625    HB2  ASP  81           HB2      ASP  81  13.383   3.455   8.948
  626    HB3  ASP  81           HB3      ASP  81  13.173   2.497  10.425
  627    H    GLY  82           H        GLY  82  13.186  -0.940   9.313
  628    HA2  GLY  82           HA2      GLY  82  15.340  -2.371  10.170
  629    HA3  GLY  82           HA3      GLY  82  14.883  -1.467  11.625
  630    H    ARG  83           H        ARG  83  11.938  -1.807  10.221
  631    HA   ARG  83           HA       ARG  83  11.531  -4.609  11.147
  632    HB2  ARG  83           HB2      ARG  83   9.365  -3.988  11.969
  633    HB3  ARG  83           HB3      ARG  83  10.553  -2.885  12.683
  634    HG2  ARG  83           HG2      ARG  83  10.028  -1.195  10.952
  635    HG3  ARG  83           HG3      ARG  83   8.822  -2.270  10.234
  636    HD2  ARG  83           HD2      ARG  83   7.774  -0.593  11.687
  637    HD3  ARG  83           HD3      ARG  83   7.476  -2.251  12.232
  638    HE   ARG  83           HE       ARG  83   9.775  -1.274  13.592
  639   HH11  ARG  83          HH11      ARG  83   6.300  -0.611  13.441
  640   HH12  ARG  83          HH12      ARG  83   6.195  -0.178  15.129
  641   HH21  ARG  83          HH21      ARG  83   9.618  -0.657  15.778
  642   HH22  ARG  83          HH22      ARG  83   8.080  -0.164  16.432
  643    H    GLU  84           H        GLU  84   9.015  -5.007  10.253
  644    HA   GLU  84           HA       GLU  84   9.619  -5.352   7.375
  645    HB2  GLU  84           HB2      GLU  84   7.571  -6.555   9.275
  646    HB3  GLU  84           HB3      GLU  84   7.617  -6.903   7.540
  647    HG2  GLU  84           HG2      GLU  84   9.981  -7.693   7.800
  648    HG3  GLU  84           HG3      GLU  84   9.848  -7.400   9.545
  649    H    LEU  85           H        LEU  85   7.733  -5.274   5.850
  650    HA   LEU  85           HA       LEU  85   5.668  -3.248   6.614
  651    HB2  LEU  85           HB2      LEU  85   7.186  -3.597   4.013
  652    HB3  LEU  85           HB3      LEU  85   5.562  -2.907   4.053
  653    HG   LEU  85           HG       LEU  85   6.439  -1.250   5.809
  654   HD11  LEU  85          HD11      LEU  85   8.878  -0.779   5.580
  655   HD12  LEU  85          HD12      LEU  85   8.553  -2.313   6.406
  656   HD13  LEU  85          HD13      LEU  85   9.071  -2.299   4.689
  657   HD21  LEU  85          HD21      LEU  85   7.380   0.194   4.037
  658   HD22  LEU  85          HD22      LEU  85   7.534  -1.221   2.969
  659   HD23  LEU  85          HD23      LEU  85   5.923  -0.665   3.485
  660    H    ARG  86           H        ARG  86   3.635  -3.532   5.396
  661    HA   ARG  86           HA       ARG  86   3.058  -6.328   4.582
  662    HB2  ARG  86           HB2      ARG  86   1.794  -4.715   6.845
  663    HB3  ARG  86           HB3      ARG  86   0.955  -6.065   6.095
  664    HG2  ARG  86           HG2      ARG  86   3.656  -6.166   7.527
  665    HG3  ARG  86           HG3      ARG  86   2.105  -6.733   8.166
  666    HD2  ARG  86           HD2      ARG  86   1.950  -8.362   6.281
  667    HD3  ARG  86           HD3      ARG  86   3.557  -7.858   5.727
  668    HE   ARG  86           HE       ARG  86   2.893  -9.293   8.232
  669   HH11  ARG  86          HH11      ARG  86   5.381  -7.949   6.089
  670   HH12  ARG  86          HH12      ARG  86   6.667  -8.873   6.844
  671   HH21  ARG  86          HH21      ARG  86   4.644 -10.479   9.168
  672   HH22  ARG  86          HH22      ARG  86   6.263 -10.248   8.540
  673    H    VAL  87           H        VAL  87   1.676  -6.410   2.933
  674    HA   VAL  87           HA       VAL  87  -0.112  -4.140   2.331
  675    HB   VAL  87           HB       VAL  87   2.046  -5.121   0.400
  676   HG11  VAL  87          HG11      VAL  87  -0.085  -2.962   0.125
  677   HG12  VAL  87          HG12      VAL  87   1.198  -3.333  -1.058
  678   HG13  VAL  87          HG13      VAL  87  -0.071  -4.529  -0.699
  679   HG21  VAL  87          HG21      VAL  87   3.125  -3.661   1.973
  680   HG22  VAL  87          HG22      VAL  87   2.757  -2.672   0.543
  681   HG23  VAL  87          HG23      VAL  87   1.736  -2.546   1.983
  682    H    GLN  88           H        GLN  88  -2.027  -4.999   1.642
  683    HA   GLN  88           HA       GLN  88  -2.139  -7.312  -0.078
  684    HB2  GLN  88           HB2      GLN  88  -3.191  -8.865   1.452
  685    HB3  GLN  88           HB3      GLN  88  -1.628  -8.407   2.118
  686    HG2  GLN  88           HG2      GLN  88  -4.341  -7.329   2.998
  687    HG3  GLN  88           HG3      GLN  88  -3.366  -8.524   3.848
  688   HE21  GLN  88          HE22      GLN  88  -0.905  -7.646   4.167
  689   HE22  GLN  88          HE21      GLN  88  -0.860  -6.030   4.856
  690    H    MET  89           H        MET  89  -4.472  -8.003  -0.465
  691    HA   MET  89           HA       MET  89  -6.006  -5.663  -1.028
  692    HB2  MET  89           HB2      MET  89  -6.836  -8.587  -1.015
  693    HB3  MET  89           HB3      MET  89  -7.687  -7.261  -1.832
  694    HG2  MET  89           HG2      MET  89  -4.840  -8.182  -2.406
  695    HG3  MET  89           HG3      MET  89  -6.251  -8.539  -3.402
  696    HE1  MET  89           HE1      MET  89  -3.264  -7.075  -4.016
  697    HE2  MET  89           HE2      MET  89  -4.372  -7.701  -5.254
  698    HE3  MET  89           HE3      MET  89  -3.789  -6.013  -5.343
  699    H    ALA  90           H        ALA  90  -7.997  -4.948  -0.169
  700    HA   ALA  90           HA       ALA  90  -8.282  -5.356   2.693
  701    HB1  ALA  90           HB1      ALA  90 -10.010  -3.800   0.739
  702    HB2  ALA  90           HB2      ALA  90 -10.046  -3.658   2.507
  703    HB3  ALA  90           HB3      ALA  90  -8.597  -3.150   1.620
  704    H    ARG  91           H        ARG  91 -10.790  -5.373   3.376
  705    HA   ARG  91           HA       ARG  91 -12.224  -7.562   1.962
  706    HB2  ARG  91           HB2      ARG  91 -12.614  -8.714   4.033
  707    HB3  ARG  91           HB3      ARG  91 -10.845  -8.501   3.812
  708    HG2  ARG  91           HG2      ARG  91 -11.040  -6.450   5.314
  709    HG3  ARG  91           HG3      ARG  91 -12.718  -6.932   5.630
  710    HD2  ARG  91           HD2      ARG  91 -10.248  -8.625   6.196
  711    HD3  ARG  91           HD3      ARG  91 -11.144  -7.679   7.398
  712    HE   ARG  91           HE       ARG  91 -12.964  -9.410   6.065
  713   HH11  ARG  91          HH11      ARG  91 -10.258  -9.551   8.330
  714   HH12  ARG  91          HH12      ARG  91 -10.832 -11.004   9.114
  715   HH21  ARG  91          HH21      ARG  91 -13.686 -11.318   7.089
  716   HH22  ARG  91          HH22      ARG  91 -12.763 -12.011   8.400
  717    H    TYR  92           H        TYR  92 -12.238  -4.541   3.478
  718    HA   TYR  92           HA       TYR  92 -15.218  -4.523   3.474
  719    HB2  TYR  92           HB2      TYR  92 -13.457  -3.090   5.497
  720    HB3  TYR  92           HB3      TYR  92 -15.212  -3.090   5.453
  721    HD1  TYR  92           HD1      TYR  92 -16.057  -5.825   5.270
  722    HD2  TYR  92           HD2      TYR  92 -12.680  -4.157   7.347
  723    HE1  TYR  92           HE1      TYR  92 -16.099  -7.727   6.857
  724    HE2  TYR  92           HE2      TYR  92 -12.716  -6.048   8.949
  725    HH   TYR  92           HH       TYR  92 -15.142  -8.685   8.714
  726    H    GLY  93           H        GLY  93 -15.994  -2.129   3.568
  727    HA2  GLY  93           HA2      GLY  93 -14.255  -0.419   1.840
  728    HA3  GLY  93           HA3      GLY  93 -16.017  -0.282   2.034
  729    H    ARG  94           H        ARG  94 -15.899  -0.701   4.980
  730    HA   ARG  94           HA       ARG  94 -14.181   1.330   6.128
  731    HB2  ARG  94           HB2      ARG  94 -17.236   1.478   6.185
  732    HB3  ARG  94           HB3      ARG  94 -16.181   2.349   7.304
  733    HG2  ARG  94           HG2      ARG  94 -15.094   3.472   5.338
  734    HG3  ARG  94           HG3      ARG  94 -16.323   2.709   4.292
  735    HD2  ARG  94           HD2      ARG  94 -18.113   3.819   5.540
  736    HD3  ARG  94           HD3      ARG  94 -16.948   4.484   6.690
  737    HE   ARG  94           HE       ARG  94 -17.522   5.457   3.989
  738   HH11  ARG  94          HH11      ARG  94 -15.189   5.462   6.671
  739   HH12  ARG  94          HH12      ARG  94 -14.502   6.993   6.211
  740   HH21  ARG  94          HH21      ARG  94 -16.582   7.463   3.430
  741   HH22  ARG  94          HH22      ARG  94 -15.262   8.107   4.384
  742    HA   PRO  95           HA       PRO  95 -14.369  -1.580   9.493
  743    HB2  PRO  95           HB2      PRO  95 -14.430   0.215  11.631
  744    HB3  PRO  95           HB3      PRO  95 -12.963  -0.287  10.725
  745    HG2  PRO  95           HG2      PRO  95 -14.680   2.183  10.263
  746    HG3  PRO  95           HG3      PRO  95 -12.890   2.117  10.347
  747    HD2  PRO  95           HD2      PRO  95 -14.120   2.160   8.001
  748    HD3  PRO  95           HD3      PRO  95 -12.775   0.993   8.259
  749    HA   PRO  96           HA       PRO  96 -18.663  -1.866  10.137
  750    HB2  PRO  96           HB2      PRO  96 -18.830  -3.956  11.869
  751    HB3  PRO  96           HB3      PRO  96 -18.101  -4.142  10.237
  752    HG2  PRO  96           HG2      PRO  96 -16.666  -3.651  12.863
  753    HG3  PRO  96           HG3      PRO  96 -16.325  -4.929  11.642
  754    HD2  PRO  96           HD2      PRO  96 -14.963  -2.555  11.707
  755    HD3  PRO  96           HD3      PRO  96 -15.351  -3.379  10.160
  756    H    ASP  97           H        ASP  97 -16.701  -1.058  12.991
  757    HA   ASP  97           HA       ASP  97 -19.032   0.228  14.166
  758    HB2  ASP  97           HB2      ASP  97 -19.243  -2.227  14.772
  759    HB3  ASP  97           HB3      ASP  97 -17.713  -2.096  15.649
  760    H    SER  98           H        SER  98 -16.058   0.709  13.387
  761    HA   SER  98           HA       SER  98 -14.730   1.322  15.873
  762    HB2  SER  98           HB2      SER  98 -14.235   2.301  13.031
  763    HB3  SER  98           HB3      SER  98 -13.174   2.628  14.407
  764    HG   SER  98           HG       SER  98 -12.524   0.752  13.257
  765    H    HIS  99           H        HIS  99 -17.291   2.929  14.204
  766    HA   HIS  99           HA       HIS  99 -17.072   5.145  16.126
  767    HB2  HIS  99           HB2      HIS  99 -15.770   5.882  14.146
  768    HB3  HIS  99           HB3      HIS  99 -17.186   5.603  13.115
  769    HD2  HIS  99           HD2      HIS  99 -16.118   7.823  16.140
  770    HE1  HIS  99           HE1      HIS  99 -19.134   9.930  14.002
  771    HE2  HIS  99           HE2      HIS  99 -17.485  10.049  15.949
  772    H    HIS 100           H        HIS 100 -19.039   6.296  16.385
  773    HA   HIS 100           HA       HIS 100 -21.488   5.515  15.032
  774    HB2  HIS 100           HB2      HIS 100 -22.455   4.532  17.183
  775    HB3  HIS 100           HB3      HIS 100 -21.314   3.509  16.301
  776    HD2  HIS 100           HD2      HIS 100 -21.688   5.444  19.595
  777    HE1  HIS 100           HE1      HIS 100 -18.025   3.285  19.847
  778    HE2  HIS 100           HE2      HIS 100 -19.693   4.718  21.141
  779    H    SER 101           H        SER 101 -23.406   6.453  16.280
  780    HA   SER 101           HA       SER 101 -22.731   8.803  17.949
  781    HB2  SER 101           HB2      SER 101 -24.250   8.945  15.308
  782    HB3  SER 101           HB3      SER 101 -24.085  10.270  16.481
  783    HG   SER 101           HG       SER 101 -22.524  10.379  14.802
  784    H5'    U 102           H5'        U 102  -8.287  -1.797  14.214
  785   H5''    U 102          H5''        U 102  -8.604  -3.121  13.047
  786    H4'    U 102           H4'        U 102  -6.779  -1.937  12.145
  787    H3'    U 102           H3'        U 102  -6.274  -4.576  12.995
  788    H2'    U 102           H2'        U 102  -5.132  -3.831  14.977
  789   HO2'    U 102          HO2'        U 102  -3.629  -5.084  13.713
  790    H1'    U 102           H1'        U 102  -4.019  -1.676  13.161
  791    H3     U 102           H3         U 102  -4.254  -0.777  18.405
  792    H5     U 102           H5         U 102  -0.816  -0.393  16.007
  793    H6     U 102           H6         U 102  -2.157  -1.270  14.131
  794   HO5'    U 102          HO5'        U 102  -8.595  -3.812  15.262
  795    H5'    C 103           H5'        C 103  -6.261  -2.087   8.549
  796   H5''    C 103          H5''        C 103  -6.395  -1.407  10.180
  797    H4'    C 103           H4'        C 103  -8.170  -0.374   9.164
  798    H3'    C 103           H3'        C 103  -8.970  -2.270  10.983
  799    H2'    C 103           H2'        C 103  -9.319  -4.067   9.525
  800   HO2'    C 103          HO2'        C 103 -11.394  -3.574  10.399
  801    H1'    C 103           H1'        C 103 -10.509  -2.418   7.339
  802    H41    C 103           H41        C 103  -8.114  -7.033   3.670
  803    H42    C 103           H42        C 103  -7.167  -7.669   4.995
  804    H5     C 103           H5         C 103  -7.087  -6.609   7.198
  805    H6     C 103           H6         C 103  -7.911  -4.800   8.525
  806    H5'    C 104           H5'        C 104  -9.435   2.989  11.190
  807   H5''    C 104          H5''        C 104 -11.195   2.953  11.389
  808    H4'    C 104           H4'        C 104 -10.274   4.925  10.047
  809    H3'    C 104           H3'        C 104 -12.285   3.109   8.732
  810    H2'    C 104           H2'        C 104 -12.319   4.634   6.960
  811   HO2'    C 104          HO2'        C 104 -12.347   6.597   8.220
  812    H1'    C 104           H1'        C 104  -9.583   5.122   7.025
  813    H41    C 104           H41        C 104 -11.026   0.908   2.427
  814    H42    C 104           H42        C 104 -11.616  -0.259   3.593
  815    H5     C 104           H5         C 104 -11.631   0.184   6.015
  816    H6     C 104           H6         C 104 -11.136   1.869   7.705
  817    H5'    A 105           H5'        A 105 -16.293   6.671  10.339
  818   H5''    A 105          H5''        A 105 -15.711   8.196   9.666
  819    H4'    A 105           H4'        A 105 -15.449   8.147  12.097
  820    H3'    A 105           H3'        A 105 -13.379   8.809  10.214
  821    H2'    A 105           H2'        A 105 -12.051   7.058  10.955
  822   HO2'    A 105          HO2'        A 105 -10.902   8.958  11.588
  823    H1'    A 105           H1'        A 105 -13.416   7.529  13.660
  824    H8     A 105           H8         A 105 -11.210   5.104  11.686
  825    H61    A 105           H61        A 105  -9.801   2.769  17.264
  826    H62    A 105           H62        A 105  -9.499   2.623  15.539
  827    H2     A 105           H2         A 105 -12.971   5.815  17.791
  828    H5'    G 106           H5'        G 106 -11.899  11.893  10.839
  829   H5''    G 106          H5''        G 106 -13.051  13.242  10.885
  830    H4'    G 106           H4'        G 106 -11.798  13.734   8.980
  831    H3'    G 106           H3'        G 106 -14.278  12.187   8.194
  832    H2'    G 106           H2'        G 106 -13.639  12.291   5.930
  833   HO2'    G 106          HO2'        G 106 -13.063  14.545   6.001
  834    H1'    G 106           H1'        G 106 -10.920  12.012   6.308
  835    H8     G 106           H8         G 106 -13.872   9.943   7.831
  836    H1     G 106           H1         G 106 -10.073   6.954   3.605
  837    H21    G 106           H21        G 106  -8.405   8.314   3.033
  838    H22    G 106           H22        G 106  -8.266   9.930   3.691
  839    H5'    U 107           H5'        U 107 -13.292  16.336   6.187
  840   H5''    U 107          H5''        U 107 -14.791  17.212   6.572
  841    H4'    U 107           H4'        U 107 -15.424  17.398   4.301
  842    H3'    U 107           H3'        U 107 -14.212  14.901   3.833
  843   HO3'    U 107          HO3'        U 107 -15.909  15.903   2.644
  844    H2'    U 107           H2'        U 107 -12.003  15.826   3.746
  845   HO2'    U 107          HO2'        U 107 -13.172  15.991   1.145
  846    H1'    U 107           H1'        U 107 -13.281  18.083   2.203
  847    H3     U 107           H3         U 107  -9.696  20.907   4.228
  848    H5     U 107           H5         U 107  -8.279  17.659   1.970
  849    H6     U 107           H6         U 107 -10.529  16.782   1.925
  Start of MODEL   15
    1    H    MET   1           H1       MET   1   0.325  20.216   5.775
    2    HA   MET   1           HA       MET   1  -0.169  19.116   3.732
    3    HB2  MET   1           HB2      MET   1  -0.069  16.719   3.525
    4    HB3  MET   1           HB3      MET   1   1.531  17.332   3.969
    5    HG2  MET   1           HG2      MET   1  -0.480  16.125   5.905
    6    HG3  MET   1           HG3      MET   1   0.844  15.244   5.145
    7    HE1  MET   1           HE1      MET   1   0.310  15.245   8.250
    8    HE2  MET   1           HE2      MET   1   1.621  14.350   7.445
    9    HE3  MET   1           HE3      MET   1   1.977  15.385   8.854
   10    H    SER   2           H        SER   2  -2.103  17.305   3.588
   11    HA   SER   2           HA       SER   2  -3.868  17.394   5.918
   12    HB2  SER   2           HB2      SER   2  -5.661  18.564   4.704
   13    HB3  SER   2           HB3      SER   2  -4.242  19.609   4.906
   14    HG   SER   2           HG       SER   2  -5.054  19.676   2.775
   15    H    TYR   3           H        TYR   3  -6.050  16.363   5.233
   16    HA   TYR   3           HA       TYR   3  -5.718  14.336   3.091
   17    HB2  TYR   3           HB2      TYR   3  -6.268  13.693   6.010
   18    HB3  TYR   3           HB3      TYR   3  -6.281  12.540   4.676
   19    HD1  TYR   3           HD1      TYR   3  -4.182  11.866   3.569
   20    HD2  TYR   3           HD2      TYR   3  -4.178  14.631   6.863
   21    HE1  TYR   3           HE1      TYR   3  -1.724  11.619   3.764
   22    HE2  TYR   3           HE2      TYR   3  -1.720  14.398   7.066
   23    HH   TYR   3           HH       TYR   3   0.178  12.300   4.854
   24    H    GLY   4           H        GLY   4  -7.810  12.908   3.086
   25    HA2  GLY   4           HA2      GLY   4 -10.235  14.277   3.900
   26    HA3  GLY   4           HA3      GLY   4  -9.877  14.441   2.169
   27    H    ARG   5           H        ARG   5 -12.169  13.254   2.625
   28    HA   ARG   5           HA       ARG   5 -12.362  10.588   3.276
   29    HB2  ARG   5           HB2      ARG   5 -14.433  10.630   1.961
   30    HB3  ARG   5           HB3      ARG   5 -14.242  12.120   2.903
   31    HG2  ARG   5           HG2      ARG   5 -13.323  13.244   0.865
   32    HG3  ARG   5           HG3      ARG   5 -13.598  11.752  -0.055
   33    HD2  ARG   5           HD2      ARG   5 -15.722  13.463   1.288
   34    HD3  ARG   5           HD3      ARG   5 -15.389  13.372  -0.438
   35    HE   ARG   5           HE       ARG   5 -16.204  11.105  -0.491
   36   HH11  ARG   5          HH11      ARG   5 -16.795  12.791   2.570
   37   HH12  ARG   5          HH12      ARG   5 -18.061  11.688   3.057
   38   HH21  ARG   5          HH21      ARG   5 -17.883   9.711   0.170
   39   HH22  ARG   5          HH22      ARG   5 -18.673   9.966   1.709
   40    HA   PRO   6           HA       PRO   6 -10.553   8.057   0.061
   41    HB2  PRO   6           HB2      PRO   6 -13.210   6.645   0.314
   42    HB3  PRO   6           HB3      PRO   6 -11.569   5.928   0.281
   43    HG2  PRO   6           HG2      PRO   6 -12.881   6.200   2.632
   44    HG3  PRO   6           HG3      PRO   6 -11.141   6.609   2.519
   45    HD2  PRO   6           HD2      PRO   6 -13.518   8.490   2.515
   46    HD3  PRO   6           HD3      PRO   6 -11.950   8.683   3.336
   47    HA   PRO   7           HA       PRO   7 -12.200   9.389  -3.817
   48    HB2  PRO   7           HB2      PRO   7 -12.102   6.510  -4.698
   49    HB3  PRO   7           HB3      PRO   7 -11.480   7.965  -5.537
   50    HG2  PRO   7           HG2      PRO   7  -9.779   6.327  -4.205
   51    HG3  PRO   7           HG3      PRO   7  -9.612   8.112  -4.062
   52    HD2  PRO   7           HD2      PRO   7 -10.876   6.196  -2.102
   53    HD3  PRO   7           HD3      PRO   7  -9.795   7.595  -1.802
   54    HA   PRO   8           HA       PRO   8 -16.534   8.589  -3.587
   55    HB2  PRO   8           HB2      PRO   8 -17.441   9.811  -5.813
   56    HB3  PRO   8           HB3      PRO   8 -16.589  10.730  -4.528
   57    HG2  PRO   8           HG2      PRO   8 -15.415   9.589  -7.086
   58    HG3  PRO   8           HG3      PRO   8 -15.271  11.273  -6.464
   59    HD2  PRO   8           HD2      PRO   8 -13.347   9.371  -6.020
   60    HD3  PRO   8           HD3      PRO   8 -13.756  10.614  -4.793
   61    H    ASP   9           H        ASP   9 -14.658   6.636  -5.448
   62    HA   ASP   9           HA       ASP   9 -17.009   5.233  -6.579
   63    HB2  ASP   9           HB2      ASP   9 -16.041   6.791  -8.285
   64    HB3  ASP   9           HB3      ASP   9 -14.524   5.884  -8.198
   65    H    VAL  10           H        VAL  10 -14.880   4.870  -4.354
   66    HA   VAL  10           HA       VAL  10 -13.302   2.600  -5.063
   67    HB   VAL  10           HB       VAL  10 -13.199   2.160  -2.632
   68   HG11  VAL  10          HG11      VAL  10 -12.952   5.110  -3.319
   69   HG12  VAL  10          HG12      VAL  10 -12.123   4.250  -1.999
   70   HG13  VAL  10          HG13      VAL  10 -11.733   3.862  -3.686
   71   HG21  VAL  10          HG21      VAL  10 -15.520   2.750  -2.031
   72   HG22  VAL  10          HG22      VAL  10 -14.348   3.661  -1.057
   73   HG23  VAL  10          HG23      VAL  10 -15.183   4.462  -2.403
   74    H    GLU  11           H        GLU  11 -16.696   2.865  -4.826
   75    HA   GLU  11           HA       GLU  11 -17.162   0.090  -3.983
   76    HB2  GLU  11           HB2      GLU  11 -19.059   2.222  -5.054
   77    HB3  GLU  11           HB3      GLU  11 -19.526   0.696  -4.276
   78    HG2  GLU  11           HG2      GLU  11 -18.323   1.410  -2.212
   79    HG3  GLU  11           HG3      GLU  11 -17.946   2.957  -2.990
   80    H    GLY  12           H        GLY  12 -15.943   1.331  -6.735
   81    HA2  GLY  12           HA2      GLY  12 -17.239  -0.725  -8.456
   82    HA3  GLY  12           HA3      GLY  12 -17.142   0.959  -9.012
   83    H    MET  13           H        MET  13 -14.459  -0.069  -7.063
   84    HA   MET  13           HA       MET  13 -12.858  -0.941  -9.404
   85    HB2  MET  13           HB2      MET  13 -12.130   1.379  -7.567
   86    HB3  MET  13           HB3      MET  13 -11.063   0.658  -8.788
   87    HG2  MET  13           HG2      MET  13 -12.751   1.226 -10.537
   88    HG3  MET  13           HG3      MET  13 -13.704   2.067  -9.309
   89    HE1  MET  13           HE1      MET  13 -11.394   5.041  -8.284
   90    HE2  MET  13           HE2      MET  13 -12.951   4.222  -8.041
   91    HE3  MET  13           HE3      MET  13 -11.442   3.433  -7.523
   92    H    THR  14           H        THR  14 -10.645  -1.693  -8.626
   93    HA   THR  14           HA       THR  14 -10.998  -3.558  -6.467
   94    HB   THR  14           HB       THR  14  -9.573  -3.920  -8.487
   95   HG21  THR  14          HG21      THR  14  -7.243  -3.046  -8.426
   96   HG22  THR  14          HG22      THR  14  -8.444  -1.751  -8.632
   97   HG23  THR  14          HG23      THR  14  -7.667  -2.015  -7.052
   98    H    SER  15           H        SER  15  -9.013  -3.678  -4.802
   99    HA   SER  15           HA       SER  15  -8.303  -1.042  -3.676
  100    HB2  SER  15           HB2      SER  15  -9.305  -1.588  -1.499
  101    HB3  SER  15           HB3      SER  15 -10.548  -1.450  -2.766
  102    HG   SER  15           HG       SER  15 -10.867  -3.305  -1.495
  103    H    LEU  16           H        LEU  16  -6.652  -1.102  -2.257
  104    HA   LEU  16           HA       LEU  16  -5.470  -3.681  -1.390
  105    HB2  LEU  16           HB2      LEU  16  -4.355  -2.874  -3.549
  106    HB3  LEU  16           HB3      LEU  16  -3.939  -1.385  -2.693
  107    HG   LEU  16           HG       LEU  16  -2.733  -2.897  -0.966
  108   HD11  LEU  16          HD11      LEU  16  -1.995  -5.072  -1.842
  109   HD12  LEU  16          HD12      LEU  16  -3.781  -5.027  -1.808
  110   HD13  LEU  16          HD13      LEU  16  -2.908  -4.815  -3.342
  111   HD21  LEU  16          HD21      LEU  16  -0.729  -3.091  -2.475
  112   HD22  LEU  16          HD22      LEU  16  -1.769  -2.653  -3.840
  113   HD23  LEU  16          HD23      LEU  16  -1.494  -1.490  -2.519
  114    H    LYS  17           H        LYS  17  -4.301  -3.352   0.683
  115    HA   LYS  17           HA       LYS  17  -4.214  -0.523   1.523
  116    HB2  LYS  17           HB2      LYS  17  -5.012  -0.859   3.620
  117    HB3  LYS  17           HB3      LYS  17  -6.119  -1.826   2.635
  118    HG2  LYS  17           HG2      LYS  17  -5.016  -3.888   3.416
  119    HG3  LYS  17           HG3      LYS  17  -3.758  -2.917   4.241
  120    HD2  LYS  17           HD2      LYS  17  -5.553  -1.806   5.586
  121    HD3  LYS  17           HD3      LYS  17  -6.740  -2.899   4.845
  122    HE2  LYS  17           HE2      LYS  17  -6.157  -3.775   6.995
  123    HE3  LYS  17           HE3      LYS  17  -5.453  -4.842   5.763
  124    HZ1  LYS  17           HZ1      LYS  17  -3.335  -3.739   6.155
  125    HZ2  LYS  17           HZ2      LYS  17  -4.023  -2.756   7.284
  126    HZ3  LYS  17           HZ3      LYS  17  -3.940  -4.366   7.547
  127    H    VAL  18           H        VAL  18  -2.752  -0.174   3.420
  128    HA   VAL  18           HA       VAL  18  -0.307  -1.888   3.339
  129    HB   VAL  18           HB       VAL  18  -0.574   1.096   2.935
  130   HG11  VAL  18          HG11      VAL  18   1.961  -0.571   3.116
  131   HG12  VAL  18          HG12      VAL  18   1.867   1.178   2.769
  132   HG13  VAL  18          HG13      VAL  18   1.372   0.566   4.351
  133   HG21  VAL  18          HG21      VAL  18   0.497   0.746   0.752
  134   HG22  VAL  18          HG22      VAL  18   0.524  -1.009   1.028
  135   HG23  VAL  18          HG23      VAL  18  -1.027  -0.144   0.863
  136    H    ASP  19           H        ASP  19   0.595  -2.070   5.319
  137    HA   ASP  19           HA       ASP  19  -0.001  -0.226   7.533
  138    HB2  ASP  19           HB2      ASP  19  -0.952  -2.023   8.921
  139    HB3  ASP  19           HB3      ASP  19  -1.954  -1.706   7.496
  140    H    ASN  20           H        ASN  20   0.803  -1.627   9.631
  141    HA   ASN  20           HA       ASN  20   2.630  -1.995  10.831
  142    HB2  ASN  20           HB2      ASN  20   2.270  -4.207   9.402
  143    HB3  ASN  20           HB3      ASN  20   3.853  -3.764   8.746
  144   HD21  ASN  20          HD22      ASN  20   5.694  -3.752  10.162
  145   HD22  ASN  20          HD21      ASN  20   5.627  -4.502  11.747
  146    H    LEU  21           H        LEU  21   3.532   0.036  10.897
  147    HA   LEU  21           HA       LEU  21   5.965   0.374   9.203
  148    HB2  LEU  21           HB2      LEU  21   5.514   2.837   9.270
  149    HB3  LEU  21           HB3      LEU  21   4.399   1.875   8.297
  150    HG   LEU  21           HG       LEU  21   2.733   1.931  10.126
  151   HD11  LEU  21          HD11      LEU  21   4.632   3.935  11.414
  152   HD12  LEU  21          HD12      LEU  21   2.946   3.667  11.893
  153   HD13  LEU  21          HD13      LEU  21   4.128   2.368  12.109
  154   HD21  LEU  21          HD21      LEU  21   2.094   4.286   9.792
  155   HD22  LEU  21          HD22      LEU  21   3.720   4.638   9.175
  156   HD23  LEU  21          HD23      LEU  21   2.649   3.521   8.284
  157    H    THR  22           H        THR  22   7.396   2.259  10.246
  158    HA   THR  22           HA       THR  22   8.104   1.171  12.871
  159    HB   THR  22           HB       THR  22  10.112   2.451  12.632
  160   HG21  THR  22          HG21      THR  22   9.956   0.459  11.166
  161   HG22  THR  22          HG22      THR  22   9.334   1.488   9.850
  162   HG23  THR  22          HG23      THR  22  10.982   1.734  10.474
  163    H    TYR  23           H        TYR  23   8.844   2.724  14.592
  164    HA   TYR  23           HA       TYR  23   6.711   4.499  15.339
  165    HB2  TYR  23           HB2      TYR  23   8.051   4.896  17.310
  166    HB3  TYR  23           HB3      TYR  23   8.059   3.173  16.932
  167    HD1  TYR  23           HD1      TYR  23  10.094   2.143  15.837
  168    HD2  TYR  23           HD2      TYR  23  10.080   6.138  17.431
  169    HE1  TYR  23           HE1      TYR  23  12.575   2.139  15.853
  170    HE2  TYR  23           HE2      TYR  23  12.558   6.132  17.473
  171    HH   TYR  23           HH       TYR  23  14.473   3.320  16.337
  172    H    ARG  24           H        ARG  24   8.793   4.990  12.909
  173    HA   ARG  24           HA       ARG  24   9.128   7.903  13.472
  174    HB2  ARG  24           HB2      ARG  24  11.041   5.999  12.058
  175    HB3  ARG  24           HB3      ARG  24  11.260   7.755  12.184
  176    HG2  ARG  24           HG2      ARG  24  11.189   5.791  14.508
  177    HG3  ARG  24           HG3      ARG  24  12.637   6.521  13.804
  178    HD2  ARG  24           HD2      ARG  24  10.340   8.060  15.075
  179    HD3  ARG  24           HD3      ARG  24  11.870   7.680  15.878
  180    HE   ARG  24           HE       ARG  24  11.375   9.752  13.868
  181   HH11  ARG  24          HH11      ARG  24  13.852   7.732  15.402
  182   HH12  ARG  24          HH12      ARG  24  15.153   8.828  15.004
  183   HH21  ARG  24          HH21      ARG  24  13.106  11.147  13.341
  184   HH22  ARG  24          HH22      ARG  24  14.733  10.739  13.831
  185    H    THR  25           H        THR  25   7.774   5.509  11.437
  186    HA   THR  25           HA       THR  25   7.896   6.984   8.953
  187    HB   THR  25           HB       THR  25   5.902   4.867   9.902
  188   HG21  THR  25          HG21      THR  25   5.086   5.969   7.876
  189   HG22  THR  25          HG22      THR  25   6.702   5.855   7.132
  190   HG23  THR  25          HG23      THR  25   5.751   4.385   7.443
  191    H    SER  26           H        SER  26   5.932   7.966   7.913
  192    HA   SER  26           HA       SER  26   3.977   9.141   9.801
  193    HB2  SER  26           HB2      SER  26   5.877  10.720   8.018
  194    HB3  SER  26           HB3      SER  26   4.518  11.420   8.921
  195    HG   SER  26           HG       SER  26   6.539  11.563  10.021
  196    HA   PRO  27           HA       PRO  27   1.353   8.563   6.368
  197    HB2  PRO  27           HB2      PRO  27  -0.474  10.592   6.451
  198    HB3  PRO  27           HB3      PRO  27  -0.373   9.328   7.711
  199    HG2  PRO  27           HG2      PRO  27   0.836  12.102   7.762
  200    HG3  PRO  27           HG3      PRO  27  -0.128  11.300   9.043
  201    HD2  PRO  27           HD2      PRO  27   2.595  11.331   9.096
  202    HD3  PRO  27           HD3      PRO  27   1.682   9.905   9.663
  203    H    ASP  28           H        ASP  28   3.086  11.667   6.467
  204    HA   ASP  28           HA       ASP  28   2.350  12.396   3.759
  205    HB2  ASP  28           HB2      ASP  28   4.029  14.132   4.017
  206    HB3  ASP  28           HB3      ASP  28   2.995  14.064   5.443
  207    H    THR  29           H        THR  29   5.043  10.561   5.285
  208    HA   THR  29           HA       THR  29   6.584  10.425   2.845
  209    HB   THR  29           HB       THR  29   7.280   8.120   3.961
  210   HG21  THR  29          HG21      THR  29   7.989  10.849   5.137
  211   HG22  THR  29          HG22      THR  29   8.959   9.368   5.306
  212   HG23  THR  29          HG23      THR  29   8.741  10.107   3.702
  213    H    LEU  30           H        LEU  30   4.092   8.280   4.376
  214    HA   LEU  30           HA       LEU  30   4.416   6.226   2.471
  215    HB2  LEU  30           HB2      LEU  30   1.929   6.961   4.038
  216    HB3  LEU  30           HB3      LEU  30   2.266   5.413   3.240
  217    HG   LEU  30           HG       LEU  30   4.199   6.512   5.300
  218   HD11  LEU  30          HD11      LEU  30   1.902   6.414   6.285
  219   HD12  LEU  30          HD12      LEU  30   1.770   4.719   5.757
  220   HD13  LEU  30          HD13      LEU  30   2.983   5.186   6.984
  221   HD21  LEU  30          HD21      LEU  30   3.507   3.722   4.297
  222   HD22  LEU  30          HD22      LEU  30   4.960   4.661   3.856
  223   HD23  LEU  30          HD23      LEU  30   4.731   4.109   5.527
  224    H    ARG  31           H        ARG  31   2.537   9.271   2.290
  225    HA   ARG  31           HA       ARG  31   1.057   8.518  -0.064
  226    HB2  ARG  31           HB2      ARG  31   0.373  10.465   1.213
  227    HB3  ARG  31           HB3      ARG  31   1.991  11.172   1.113
  228    HG2  ARG  31           HG2      ARG  31   0.432  12.313  -0.401
  229    HG3  ARG  31           HG3      ARG  31   1.738  11.519  -1.298
  230    HD2  ARG  31           HD2      ARG  31   0.184   9.551  -1.641
  231    HD3  ARG  31           HD3      ARG  31  -1.129  10.536  -0.961
  232    HE   ARG  31           HE       ARG  31   0.229  10.837  -3.566
  233   HH11  ARG  31          HH11      ARG  31  -2.025  12.276  -1.249
  234   HH12  ARG  31          HH12      ARG  31  -2.752  13.318  -2.447
  235   HH21  ARG  31          HH21      ARG  31  -0.705  12.164  -5.072
  236   HH22  ARG  31          HH22      ARG  31  -1.996  13.267  -4.636
  237    H    ARG  32           H        ARG  32   4.287  10.033   0.376
  238    HA   ARG  32           HA       ARG  32   4.588  10.357  -2.515
  239    HB2  ARG  32           HB2      ARG  32   5.526  11.956  -0.861
  240    HB3  ARG  32           HB3      ARG  32   6.564  10.676  -0.217
  241    HG2  ARG  32           HG2      ARG  32   7.658  10.469  -2.451
  242    HG3  ARG  32           HG3      ARG  32   6.612  11.775  -3.068
  243    HD2  ARG  32           HD2      ARG  32   7.530  13.306  -1.363
  244    HD3  ARG  32           HD3      ARG  32   8.574  12.000  -0.760
  245    HE   ARG  32           HE       ARG  32   9.066  12.269  -3.531
  246   HH11  ARG  32          HH11      ARG  32   9.460  14.177  -0.587
  247   HH12  ARG  32          HH12      ARG  32  10.849  15.045  -1.193
  248   HH21  ARG  32          HH21      ARG  32  10.884  13.402  -4.295
  249   HH22  ARG  32          HH22      ARG  32  11.650  14.611  -3.290
  250    H    VAL  33           H        VAL  33   6.017   8.227  -0.012
  251    HA   VAL  33           HA       VAL  33   7.886   6.943  -1.737
  252    HB   VAL  33           HB       VAL  33   8.223   5.419   0.144
  253   HG11  VAL  33          HG11      VAL  33   9.170   7.668   0.334
  254   HG12  VAL  33          HG12      VAL  33   7.693   8.254   1.119
  255   HG13  VAL  33          HG13      VAL  33   8.686   7.014   1.913
  256   HG21  VAL  33          HG21      VAL  33   5.536   6.396   0.965
  257   HG22  VAL  33          HG22      VAL  33   6.135   4.736   0.784
  258   HG23  VAL  33          HG23      VAL  33   6.690   5.714   2.159
  259    H    PHE  34           H        PHE  34   4.427   6.381  -1.163
  260    HA   PHE  34           HA       PHE  34   4.584   3.843  -2.685
  261    HB2  PHE  34           HB2      PHE  34   2.427   5.225  -1.092
  262    HB3  PHE  34           HB3      PHE  34   2.031   3.975  -2.260
  263    HD1  PHE  34           HD2      PHE  34   3.899   4.562   0.904
  264    HD2  PHE  34           HD1      PHE  34   2.361   1.694  -1.906
  265    HE1  PHE  34           HE2      PHE  34   4.485   2.714   2.458
  266    HE2  PHE  34           HE1      PHE  34   2.928  -0.148  -0.338
  267    HZ   PHE  34           HZ       PHE  34   4.014   0.362   1.835
  268    H    GLU  35           H        GLU  35   3.948   7.239  -3.240
  269    HA   GLU  35           HA       GLU  35   2.073   7.069  -5.323
  270    HB2  GLU  35           HB2      GLU  35   3.068   9.163  -4.163
  271    HB3  GLU  35           HB3      GLU  35   4.417   8.985  -5.296
  272    HG2  GLU  35           HG2      GLU  35   2.957  10.542  -6.289
  273    HG3  GLU  35           HG3      GLU  35   2.626   9.046  -7.163
  274    H    LYS  36           H        LYS  36   5.526   6.357  -5.259
  275    HA   LYS  36           HA       LYS  36   6.045   6.591  -8.061
  276    HB2  LYS  36           HB2      LYS  36   8.161   5.610  -7.550
  277    HB3  LYS  36           HB3      LYS  36   7.693   6.614  -6.155
  278    HG2  LYS  36           HG2      LYS  36   6.925   4.600  -4.952
  279    HG3  LYS  36           HG3      LYS  36   7.389   3.590  -6.341
  280    HD2  LYS  36           HD2      LYS  36   9.133   3.490  -4.649
  281    HD3  LYS  36           HD3      LYS  36   9.734   4.311  -6.103
  282    HE2  LYS  36           HE2      LYS  36   9.374   6.500  -5.029
  283    HE3  LYS  36           HE3      LYS  36   8.698   5.695  -3.595
  284    HZ1  LYS  36           HZ1      LYS  36  11.010   6.281  -3.292
  285    HZ2  LYS  36           HZ2      LYS  36  10.834   4.644  -3.270
  286    HZ3  LYS  36           HZ3      LYS  36  11.456   5.385  -4.597
  287    H    TYR  37           H        TYR  37   4.546   4.095  -6.175
  288    HA   TYR  37           HA       TYR  37   5.008   1.951  -8.083
  289    HB2  TYR  37           HB2      TYR  37   3.120   2.239  -5.726
  290    HB3  TYR  37           HB3      TYR  37   3.301   0.757  -6.674
  291    HD1  TYR  37           HD1      TYR  37   5.150   3.153  -4.505
  292    HD2  TYR  37           HD2      TYR  37   5.098  -0.733  -6.344
  293    HE1  TYR  37           HE1      TYR  37   7.160   2.533  -3.216
  294    HE2  TYR  37           HE2      TYR  37   7.122  -1.366  -5.075
  295    HH   TYR  37           HH       TYR  37   8.768   0.901  -2.831
  296    H    GLY  38           H        GLY  38   2.903   4.671  -7.971
  297    HA2  GLY  38           HA2      GLY  38   2.131   4.584 -10.551
  298    HA3  GLY  38           HA3      GLY  38   0.953   3.477  -9.805
  299    H    ARG  39           H        ARG  39  -0.228   4.286  -7.896
  300    HA   ARG  39           HA       ARG  39  -0.465   7.130  -7.440
  301    HB2  ARG  39           HB2      ARG  39  -2.649   7.464  -8.407
  302    HB3  ARG  39           HB3      ARG  39  -1.558   6.866  -9.662
  303    HG2  ARG  39           HG2      ARG  39  -2.554   4.495  -8.965
  304    HG3  ARG  39           HG3      ARG  39  -3.872   5.483  -8.319
  305    HD2  ARG  39           HD2      ARG  39  -4.502   4.902 -10.530
  306    HD3  ARG  39           HD3      ARG  39  -3.961   6.591 -10.624
  307    HE   ARG  39           HE       ARG  39  -2.217   4.245 -11.310
  308   HH11  ARG  39          HH11      ARG  39  -3.504   7.428 -12.159
  309   HH12  ARG  39          HH12      ARG  39  -2.506   7.569 -13.590
  310   HH21  ARG  39          HH21      ARG  39  -0.953   4.450 -13.155
  311   HH22  ARG  39          HH22      ARG  39  -1.079   5.876 -14.163
  312    H    VAL  40           H        VAL  40  -0.643   6.973  -5.207
  313    HA   VAL  40           HA       VAL  40  -2.044   4.781  -3.986
  314    HB   VAL  40           HB       VAL  40  -1.804   5.810  -1.941
  315   HG11  VAL  40          HG11      VAL  40   0.476   6.988  -3.571
  316   HG12  VAL  40          HG12      VAL  40   0.477   6.593  -1.839
  317   HG13  VAL  40          HG13      VAL  40   0.348   5.288  -3.037
  318   HG21  VAL  40          HG21      VAL  40  -2.922   7.959  -2.341
  319   HG22  VAL  40          HG22      VAL  40  -1.398   8.164  -1.504
  320   HG23  VAL  40          HG23      VAL  40  -1.496   8.531  -3.258
  321    H    GLY  41           H        GLY  41  -4.263   4.524  -3.724
  322    HA2  GLY  41           HA2      GLY  41  -6.033   6.459  -5.001
  323    HA3  GLY  41           HA3      GLY  41  -6.495   4.937  -4.202
  324    H    ASP  42           H        ASP  42  -4.832   5.738  -1.785
  325    HA   ASP  42           HA       ASP  42  -6.008   8.128  -0.685
  326    HB2  ASP  42           HB2      ASP  42  -7.927   6.411  -0.705
  327    HB3  ASP  42           HB3      ASP  42  -6.969   5.495   0.471
  328    H    VAL  43           H        VAL  43  -5.562   8.185   1.765
  329    HA   VAL  43           HA       VAL  43  -3.464   6.420   2.788
  330    HB   VAL  43           HB       VAL  43  -2.010   7.810   1.577
  331   HG11  VAL  43          HG11      VAL  43  -3.459   9.547   0.801
  332   HG12  VAL  43          HG12      VAL  43  -3.734  10.156   2.447
  333   HG13  VAL  43          HG13      VAL  43  -2.132  10.320   1.673
  334   HG21  VAL  43          HG21      VAL  43  -1.374   7.548   3.962
  335   HG22  VAL  43          HG22      VAL  43  -0.771   9.054   3.253
  336   HG23  VAL  43          HG23      VAL  43  -2.181   9.093   4.330
  337    H    TYR  44           H        TYR  44  -3.714   6.232   4.978
  338    HA   TYR  44           HA       TYR  44  -5.046   8.390   6.489
  339    HB2  TYR  44           HB2      TYR  44  -6.791   6.925   5.350
  340    HB3  TYR  44           HB3      TYR  44  -6.302   5.662   6.490
  341    HD1  TYR  44           HD1      TYR  44  -6.929   9.375   6.625
  342    HD2  TYR  44           HD2      TYR  44  -7.701   5.507   8.348
  343    HE1  TYR  44           HE1      TYR  44  -8.363  10.437   8.344
  344    HE2  TYR  44           HE2      TYR  44  -9.162   6.563  10.055
  345    HH   TYR  44           HH       TYR  44  -9.753  10.094  10.130
  346    H    ILE  45           H        ILE  45  -5.079   8.032   8.781
  347    HA   ILE  45           HA       ILE  45  -3.662   5.708   9.910
  348    HB   ILE  45           HB       ILE  45  -2.822   8.576  10.461
  349   HG12  ILE  45          HG12      ILE  45  -1.396   6.133   9.321
  350   HG13  ILE  45          HG13      ILE  45  -1.768   7.639   8.464
  351   HG21  ILE  45          HG21      ILE  45  -3.017   7.213  12.551
  352   HG22  ILE  45          HG22      ILE  45  -2.034   5.939  11.798
  353   HG23  ILE  45          HG23      ILE  45  -1.324   7.523  12.155
  354   HD11  ILE  45          HD11      ILE  45  -0.285   8.861  10.082
  355   HD12  ILE  45          HD12      ILE  45   0.195   7.284  10.765
  356   HD13  ILE  45          HD13      ILE  45   0.567   7.654   9.081
  357    HA   PRO  46           HA       PRO  46  -7.724   6.565  11.651
  358    HB2  PRO  46           HB2      PRO  46  -7.094   3.962  13.044
  359    HB3  PRO  46           HB3      PRO  46  -8.594   4.427  12.187
  360    HG2  PRO  46           HG2      PRO  46  -6.821   2.778  10.982
  361    HG3  PRO  46           HG3      PRO  46  -7.554   4.129  10.054
  362    HD2  PRO  46           HD2      PRO  46  -4.834   4.049  11.357
  363    HD3  PRO  46           HD3      PRO  46  -5.312   4.607   9.717
  364    H    ARG  47           H        ARG  47  -4.876   6.591  13.386
  365    HA   ARG  47           HA       ARG  47  -4.366   6.647  15.695
  366    HB2  ARG  47           HB2      ARG  47  -6.148   9.000  15.015
  367    HB3  ARG  47           HB3      ARG  47  -5.428   8.821  16.622
  368    HG2  ARG  47           HG2      ARG  47  -3.838   8.988  14.041
  369    HG3  ARG  47           HG3      ARG  47  -4.094  10.283  15.237
  370    HD2  ARG  47           HD2      ARG  47  -3.152   8.484  16.925
  371    HD3  ARG  47           HD3      ARG  47  -2.423   7.792  15.461
  372    HE   ARG  47           HE       ARG  47  -1.578  10.128  16.896
  373   HH11  ARG  47          HH11      ARG  47  -1.899   8.962  13.575
  374   HH12  ARG  47          HH12      ARG  47  -0.619   9.993  12.980
  375   HH21  ARG  47          HH21      ARG  47   0.070  11.452  16.095
  376   HH22  ARG  47          HH22      ARG  47   0.484  11.404  14.400
  377    H    ASP  48           H        ASP  48  -7.021   8.219  16.986
  378    HA   ASP  48           HA       ASP  48  -8.388   5.747  17.857
  379    HB2  ASP  48           HB2      ASP  48  -7.413   7.876  19.786
  380    HB3  ASP  48           HB3      ASP  48  -8.155   6.323  20.192
  381    H    ARG  49           H        ARG  49  -8.693   8.527  16.438
  382    HA   ARG  49           HA       ARG  49  -9.905  10.398  16.351
  383    HB2  ARG  49           HB2      ARG  49 -12.025  10.069  15.678
  384    HB3  ARG  49           HB3      ARG  49 -11.293   8.476  15.410
  385    HG2  ARG  49           HG2      ARG  49 -12.350   7.660  17.511
  386    HG3  ARG  49           HG3      ARG  49 -13.047   9.270  17.784
  387    HD2  ARG  49           HD2      ARG  49 -13.672   7.359  15.509
  388    HD3  ARG  49           HD3      ARG  49 -14.753   7.875  16.796
  389    HE   ARG  49           HE       ARG  49 -13.926   9.412  14.408
  390   HH11  ARG  49          HH11      ARG  49 -15.662   9.422  17.495
  391   HH12  ARG  49          HH12      ARG  49 -16.532  10.892  17.127
  392   HH21  ARG  49          HH21      ARG  49 -15.023  11.348  13.988
  393   HH22  ARG  49          HH22      ARG  49 -16.200  11.962  15.127
  394    H    TYR  50           H        TYR  50  -9.369   9.448  19.359
  395    HA   TYR  50           HA       TYR  50 -10.852  11.795  20.439
  396    HB2  TYR  50           HB2      TYR  50 -10.726   9.100  21.826
  397    HB3  TYR  50           HB3      TYR  50 -11.496  10.559  22.442
  398    HD1  TYR  50           HD1      TYR  50 -13.563  11.454  21.248
  399    HD2  TYR  50           HD2      TYR  50 -11.861   7.594  20.455
  400    HE1  TYR  50           HE1      TYR  50 -15.730  10.696  20.309
  401    HE2  TYR  50           HE2      TYR  50 -14.012   6.809  19.537
  402    HH   TYR  50           HH       TYR  50 -16.903   8.946  19.390
  403    H    THR  51           H        THR  51  -8.042   9.673  20.453
  404    HA   THR  51           HA       THR  51  -6.890  11.315  22.653
  405    HB   THR  51           HB       THR  51  -5.919   9.353  23.628
  406   HG21  THR  51          HG21      THR  51  -8.366   9.752  24.122
  407   HG22  THR  51          HG22      THR  51  -8.771   8.595  22.834
  408   HG23  THR  51          HG23      THR  51  -7.880   8.049  24.263
  409    H    LYS  52           H        LYS  52  -6.617  10.070  19.480
  410    HA   LYS  52           HA       LYS  52  -5.020  10.216  17.888
  411    HB2  LYS  52           HB2      LYS  52  -4.546  12.856  19.322
  412    HB3  LYS  52           HB3      LYS  52  -4.110  12.484  17.646
  413    HG2  LYS  52           HG2      LYS  52  -6.513  12.008  17.151
  414    HG3  LYS  52           HG3      LYS  52  -6.926  12.513  18.804
  415    HD2  LYS  52           HD2      LYS  52  -5.575  14.234  16.684
  416    HD3  LYS  52           HD3      LYS  52  -7.276  14.342  17.165
  417    HE2  LYS  52           HE2      LYS  52  -4.895  14.852  19.001
  418    HE3  LYS  52           HE3      LYS  52  -5.866  16.097  18.218
  419    HZ1  LYS  52           HZ1      LYS  52  -6.593  15.715  20.454
  420    HZ2  LYS  52           HZ2      LYS  52  -7.778  15.305  19.404
  421    HZ3  LYS  52           HZ3      LYS  52  -6.897  14.126  20.151
  422    H    GLU  53           H        GLU  53  -3.926   8.506  19.787
  423    HA   GLU  53           HA       GLU  53  -1.071   9.310  19.641
  424    HB2  GLU  53           HB2      GLU  53  -0.675   8.641  21.942
  425    HB3  GLU  53           HB3      GLU  53  -1.852   9.957  21.869
  426    HG2  GLU  53           HG2      GLU  53  -3.700   8.343  22.152
  427    HG3  GLU  53           HG3      GLU  53  -2.547   7.003  22.169
  428    H    SER  54           H        SER  54  -3.192   7.027  18.608
  429    HA   SER  54           HA       SER  54  -1.994   4.579  19.442
  430    HB2  SER  54           HB2      SER  54  -4.178   4.718  18.290
  431    HB3  SER  54           HB3      SER  54  -3.367   5.302  16.822
  432    HG   SER  54           HG       SER  54  -3.033   2.788  18.090
  433    H    ARG  55           H        ARG  55  -1.321   6.777  16.770
  434    HA   ARG  55           HA       ARG  55   0.212   6.491  15.010
  435    HB2  ARG  55           HB2      ARG  55   0.626   8.316  16.776
  436    HB3  ARG  55           HB3      ARG  55   1.964   7.298  17.335
  437    HG2  ARG  55           HG2      ARG  55   2.729   7.235  14.861
  438    HG3  ARG  55           HG3      ARG  55   1.525   8.505  14.572
  439    HD2  ARG  55           HD2      ARG  55   2.644   9.784  16.490
  440    HD3  ARG  55           HD3      ARG  55   3.965   8.606  16.374
  441    HE   ARG  55           HE       ARG  55   3.546  10.871  14.702
  442   HH11  ARG  55          HH11      ARG  55   4.558   7.485  14.440
  443   HH12  ARG  55          HH12      ARG  55   5.363   7.751  12.900
  444   HH21  ARG  55          HH21      ARG  55   4.666  11.162  12.750
  445   HH22  ARG  55          HH22      ARG  55   5.451   9.806  11.976
  446    H    GLY  56           H        GLY  56   0.106   4.044  14.955
  447    HA2  GLY  56           HA2      GLY  56   2.878   3.018  15.235
  448    HA3  GLY  56           HA3      GLY  56   1.568   2.142  16.058
  449    H    PHE  57           H        PHE  57   0.050   3.306  13.358
  450    HA   PHE  57           HA       PHE  57   1.174   1.491  11.374
  451    HB2  PHE  57           HB2      PHE  57  -0.688   0.073  11.132
  452    HB3  PHE  57           HB3      PHE  57  -0.274   0.047  12.846
  453    HD1  PHE  57           HD1      PHE  57  -1.665   1.513  14.445
  454    HD2  PHE  57           HD2      PHE  57  -2.808   0.680  10.384
  455    HE1  PHE  57           HE1      PHE  57  -3.985   2.185  14.964
  456    HE2  PHE  57           HE2      PHE  57  -5.127   1.354  10.892
  457    HZ   PHE  57           HZ       PHE  57  -5.727   2.109  13.203
  458    H    ALA  58           H        ALA  58  -0.508   1.510   9.424
  459    HA   ALA  58           HA       ALA  58  -1.904   4.097   9.168
  460    HB1  ALA  58           HB1      ALA  58   0.402   3.261   7.358
  461    HB2  ALA  58           HB2      ALA  58  -0.665   4.661   7.103
  462    HB3  ALA  58           HB3      ALA  58   0.408   4.622   8.514
  463    H    PHE  59           H        PHE  59  -2.696   4.190   6.734
  464    HA   PHE  59           HA       PHE  59  -3.462   1.551   5.700
  465    HB2  PHE  59           HB2      PHE  59  -5.093   2.321   7.498
  466    HB3  PHE  59           HB3      PHE  59  -5.553   3.629   6.408
  467    HD1  PHE  59           HD2      PHE  59  -5.350   1.816   3.786
  468    HD2  PHE  59           HD1      PHE  59  -7.215   1.330   7.641
  469    HE1  PHE  59           HE2      PHE  59  -6.970   0.238   2.803
  470    HE2  PHE  59           HE1      PHE  59  -8.864  -0.200   6.640
  471    HZ   PHE  59           HZ       PHE  59  -8.727  -0.790   4.224
  472    H    VAL  60           H        VAL  60  -1.882   2.494   4.086
  473    HA   VAL  60           HA       VAL  60  -3.030   4.591   2.335
  474    HB   VAL  60           HB       VAL  60  -0.733   2.668   1.747
  475   HG11  VAL  60          HG11      VAL  60  -1.606   3.786  -0.258
  476   HG12  VAL  60          HG12      VAL  60  -1.470   5.369   0.558
  477   HG13  VAL  60          HG13      VAL  60  -0.015   4.432   0.181
  478   HG21  VAL  60          HG21      VAL  60  -0.645   5.471   2.921
  479   HG22  VAL  60          HG22      VAL  60  -0.230   3.961   3.781
  480   HG23  VAL  60          HG23      VAL  60   0.744   4.495   2.391
  481    H    ARG  61           H        ARG  61  -3.743   4.046   0.063
  482    HA   ARG  61           HA       ARG  61  -4.399   1.193  -0.320
  483    HB2  ARG  61           HB2      ARG  61  -6.616   1.369  -0.068
  484    HB3  ARG  61           HB3      ARG  61  -6.320   2.924   0.708
  485    HG2  ARG  61           HG2      ARG  61  -6.675   4.070  -1.453
  486    HG3  ARG  61           HG3      ARG  61  -6.853   2.500  -2.270
  487    HD2  ARG  61           HD2      ARG  61  -9.038   3.379  -1.902
  488    HD3  ARG  61           HD3      ARG  61  -8.823   1.979  -0.853
  489    HE   ARG  61           HE       ARG  61  -8.869   4.844  -0.029
  490   HH11  ARG  61          HH11      ARG  61  -8.897   1.416   0.902
  491   HH12  ARG  61          HH12      ARG  61  -9.277   1.792   2.575
  492   HH21  ARG  61          HH21      ARG  61  -9.293   5.251   2.140
  493   HH22  ARG  61          HH22      ARG  61  -9.532   3.923   3.255
  494    H    PHE  62           H        PHE  62  -4.985   0.637  -2.449
  495    HA   PHE  62           HA       PHE  62  -4.545   2.728  -4.549
  496    HB2  PHE  62           HB2      PHE  62  -3.699  -0.191  -4.651
  497    HB3  PHE  62           HB3      PHE  62  -3.669   0.921  -6.016
  498    HD1  PHE  62           HD1      PHE  62  -2.353   0.508  -2.531
  499    HD2  PHE  62           HD2      PHE  62  -1.730   2.215  -6.441
  500    HE1  PHE  62           HE1      PHE  62  -0.109   1.208  -1.854
  501    HE2  PHE  62           HE2      PHE  62   0.554   2.882  -5.772
  502    HZ   PHE  62           HZ       PHE  62   1.386   2.367  -3.495
  503    H    HIS  63           H        HIS  63  -5.595   2.024  -6.645
  504    HA   HIS  63           HA       HIS  63  -8.116   0.549  -6.150
  505    HB2  HIS  63           HB2      HIS  63  -9.459   2.349  -6.947
  506    HB3  HIS  63           HB3      HIS  63  -8.442   2.946  -5.621
  507    HD2  HIS  63           HD2      HIS  63  -6.199   4.453  -6.441
  508    HE1  HIS  63           HE1      HIS  63  -7.943   5.611 -10.141
  509    HE2  HIS  63           HE2      HIS  63  -6.080   6.100  -8.468
  510    H    ASP  64           H        ASP  64  -5.488   0.577  -7.914
  511    HA   ASP  64           HA       ASP  64  -6.958  -0.481 -10.275
  512    HB2  ASP  64           HB2      ASP  64  -6.005   1.760 -10.835
  513    HB3  ASP  64           HB3      ASP  64  -4.395   1.157 -10.432
  514    H    LYS  65           H        LYS  65  -6.207  -2.423 -11.027
  515    HA   LYS  65           HA       LYS  65  -4.904  -4.028  -9.084
  516    HB2  LYS  65           HB2      LYS  65  -5.454  -4.556 -12.024
  517    HB3  LYS  65           HB3      LYS  65  -4.970  -5.779 -10.831
  518    HG2  LYS  65           HG2      LYS  65  -6.985  -5.216  -9.466
  519    HG3  LYS  65           HG3      LYS  65  -7.510  -4.091 -10.735
  520    HD2  LYS  65           HD2      LYS  65  -7.070  -7.089 -11.071
  521    HD3  LYS  65           HD3      LYS  65  -8.640  -6.274 -10.945
  522    HE2  LYS  65           HE2      LYS  65  -8.128  -4.991 -13.007
  523    HE3  LYS  65           HE3      LYS  65  -6.568  -5.819 -13.141
  524    HZ1  LYS  65           HZ1      LYS  65  -8.234  -6.845 -14.522
  525    HZ2  LYS  65           HZ2      LYS  65  -7.763  -7.892 -13.350
  526    HZ3  LYS  65           HZ3      LYS  65  -9.211  -7.118 -13.233
  527    H    ARG  66           H        ARG  66  -3.571  -2.415 -12.023
  528    HA   ARG  66           HA       ARG  66  -1.253  -4.110 -12.034
  529    HB2  ARG  66           HB2      ARG  66  -0.524  -2.836 -13.840
  530    HB3  ARG  66           HB3      ARG  66  -2.285  -2.684 -13.930
  531    HG2  ARG  66           HG2      ARG  66  -1.912  -0.467 -12.554
  532    HG3  ARG  66           HG3      ARG  66  -0.214  -0.655 -13.051
  533    HD2  ARG  66           HD2      ARG  66  -1.163   0.720 -14.711
  534    HD3  ARG  66           HD3      ARG  66  -1.190  -0.898 -15.452
  535    HE   ARG  66           HE       ARG  66  -3.608  -0.322 -13.963
  536   HH11  ARG  66          HH11      ARG  66  -2.023   0.278 -17.067
  537   HH12  ARG  66          HH12      ARG  66  -3.531   0.638 -17.884
  538   HH21  ARG  66          HH21      ARG  66  -5.514   0.202 -15.024
  539   HH22  ARG  66          HH22      ARG  66  -5.514   0.526 -16.748
  540    H    ASP  67           H        ASP  67  -1.946  -0.910 -10.626
  541    HA   ASP  67           HA       ASP  67   0.775  -0.531  -9.669
  542    HB2  ASP  67           HB2      ASP  67  -1.849   0.833  -8.932
  543    HB3  ASP  67           HB3      ASP  67  -0.224   1.382  -8.473
  544    H    ALA  68           H        ALA  68  -2.234  -1.974  -8.454
  545    HA   ALA  68           HA       ALA  68  -1.398  -1.995  -5.695
  546    HB1  ALA  68           HB1      ALA  68  -3.362  -3.504  -5.443
  547    HB2  ALA  68           HB2      ALA  68  -3.767  -2.042  -6.373
  548    HB3  ALA  68           HB3      ALA  68  -3.510  -3.593  -7.210
  549    H    GLU  69           H        GLU  69  -1.214  -4.376  -8.413
  550    HA   GLU  69           HA       GLU  69  -0.340  -6.503  -6.685
  551    HB2  GLU  69           HB2      GLU  69  -0.191  -6.105  -9.697
  552    HB3  GLU  69           HB3      GLU  69   0.370  -7.570  -8.857
  553    HG2  GLU  69           HG2      GLU  69  -1.876  -7.894  -7.886
  554    HG3  GLU  69           HG3      GLU  69  -2.469  -6.479  -8.762
  555    H    ASP  70           H        ASP  70   1.365  -3.940  -8.544
  556    HA   ASP  70           HA       ASP  70   3.982  -5.087  -8.002
  557    HB2  ASP  70           HB2      ASP  70   3.032  -2.298  -8.769
  558    HB3  ASP  70           HB3      ASP  70   4.729  -2.721  -8.511
  559    H    ALA  71           H        ALA  71   1.830  -2.743  -6.361
  560    HA   ALA  71           HA       ALA  71   3.726  -1.693  -4.564
  561    HB1  ALA  71           HB1      ALA  71   0.734  -2.117  -4.243
  562    HB2  ALA  71           HB2      ALA  71   1.741  -1.082  -3.204
  563    HB3  ALA  71           HB3      ALA  71   1.539  -0.692  -4.931
  564    H    MET  72           H        MET  72   1.815  -4.731  -4.396
  565    HA   MET  72           HA       MET  72   2.833  -5.171  -1.655
  566    HB2  MET  72           HB2      MET  72   1.423  -7.130  -1.619
  567    HB3  MET  72           HB3      MET  72   0.491  -5.787  -2.328
  568    HG2  MET  72           HG2      MET  72   1.155  -6.620  -4.586
  569    HG3  MET  72           HG3      MET  72   1.911  -8.024  -3.820
  570    HE1  MET  72           HE1      MET  72  -1.079  -9.691  -5.547
  571    HE2  MET  72           HE2      MET  72   0.008  -8.406  -6.124
  572    HE3  MET  72           HE3      MET  72   0.665  -9.771  -5.193
  573    H    ASP  73           H        ASP  73   3.523  -6.181  -4.985
  574    HA   ASP  73           HA       ASP  73   5.131  -8.457  -4.289
  575    HB2  ASP  73           HB2      ASP  73   4.112  -8.096  -6.506
  576    HB3  ASP  73           HB3      ASP  73   5.156  -6.684  -6.756
  577    H    ALA  74           H        ALA  74   5.647  -5.125  -3.787
  578    HA   ALA  74           HA       ALA  74   8.585  -5.624  -3.534
  579    HB1  ALA  74           HB1      ALA  74   7.101  -3.264  -4.682
  580    HB2  ALA  74           HB2      ALA  74   8.857  -3.251  -4.326
  581    HB3  ALA  74           HB3      ALA  74   8.202  -4.356  -5.555
  582    H    MET  75           H        MET  75   5.725  -4.579  -1.932
  583    HA   MET  75           HA       MET  75   7.443  -3.377   0.222
  584    HB2  MET  75           HB2      MET  75   4.539  -2.879  -0.458
  585    HB3  MET  75           HB3      MET  75   5.306  -2.309   1.015
  586    HG2  MET  75           HG2      MET  75   6.570  -1.558  -1.613
  587    HG3  MET  75           HG3      MET  75   5.085  -0.759  -1.109
  588    HE1  MET  75           HE1      MET  75   5.672   1.543  -0.877
  589    HE2  MET  75           HE2      MET  75   7.092   2.207  -0.039
  590    HE3  MET  75           HE3      MET  75   7.299   1.284  -1.546
  591    H    ASP  76           H        ASP  76   4.973  -5.913  -0.505
  592    HA   ASP  76           HA       ASP  76   4.345  -6.304   2.266
  593    HB2  ASP  76           HB2      ASP  76   2.917  -7.126   0.410
  594    HB3  ASP  76           HB3      ASP  76   4.186  -8.293  -0.027
  595    H    GLY  77           H        GLY  77   5.498  -7.197   3.826
  596    HA2  GLY  77           HA2      GLY  77   6.918  -8.676   4.911
  597    HA3  GLY  77           HA3      GLY  77   7.292  -9.448   3.360
  598    H    ALA  78           H        ALA  78   7.748  -6.156   2.906
  599    HA   ALA  78           HA       ALA  78  10.611  -6.392   2.837
  600    HB1  ALA  78           HB1      ALA  78   8.790  -3.958   2.604
  601    HB2  ALA  78           HB2      ALA  78  10.502  -4.029   2.136
  602    HB3  ALA  78           HB3      ALA  78   9.311  -5.006   1.265
  603    H    VAL  79           H        VAL  79  11.754  -4.216   3.795
  604    HA   VAL  79           HA       VAL  79  11.081  -3.991   6.684
  605    HB   VAL  79           HB       VAL  79  13.811  -4.631   5.484
  606   HG11  VAL  79          HG11      VAL  79  14.618  -4.666   7.807
  607   HG12  VAL  79          HG12      VAL  79  14.086  -3.048   7.314
  608   HG13  VAL  79          HG13      VAL  79  13.054  -4.045   8.369
  609   HG21  VAL  79          HG21      VAL  79  11.998  -6.189   7.387
  610   HG22  VAL  79          HG22      VAL  79  12.358  -6.614   5.696
  611   HG23  VAL  79          HG23      VAL  79  13.647  -6.654   6.912
  612    H    LEU  80           H        LEU  80  11.493  -1.987   7.565
  613    HA   LEU  80           HA       LEU  80  12.280   0.127   5.612
  614    HB2  LEU  80           HB2      LEU  80   9.990   0.033   6.752
  615    HB3  LEU  80           HB3      LEU  80  10.811   0.393   8.267
  616    HG   LEU  80           HG       LEU  80   9.777   2.355   7.319
  617   HD11  LEU  80          HD11      LEU  80  12.767   2.722   6.967
  618   HD12  LEU  80          HD12      LEU  80  11.561   3.939   7.395
  619   HD13  LEU  80          HD13      LEU  80  11.931   2.644   8.550
  620   HD21  LEU  80          HD21      LEU  80   9.892   1.673   4.932
  621   HD22  LEU  80          HD22      LEU  80  10.467   3.336   5.193
  622   HD23  LEU  80          HD23      LEU  80  11.639   2.030   4.930
  623    H    ASP  81           H        ASP  81  12.598  -0.705   9.105
  624    HA   ASP  81           HA       ASP  81  15.350   0.432   9.027
  625    HB2  ASP  81           HB2      ASP  81  13.758   2.152   9.834
  626    HB3  ASP  81           HB3      ASP  81  13.234   1.049  11.120
  627    H    GLY  82           H        GLY  82  13.381  -2.193   9.759
  628    HA2  GLY  82           HA2      GLY  82  15.163  -3.986  10.521
  629    HA3  GLY  82           HA3      GLY  82  14.994  -3.110  12.062
  630    H    ARG  83           H        ARG  83  12.007  -2.756  10.819
  631    HA   ARG  83           HA       ARG  83  11.015  -5.366  11.881
  632    HB2  ARG  83           HB2      ARG  83   8.975  -4.232  12.457
  633    HB3  ARG  83           HB3      ARG  83  10.345  -3.370  13.183
  634    HG2  ARG  83           HG2      ARG  83  10.262  -1.684  11.406
  635    HG3  ARG  83           HG3      ARG  83   8.961  -2.564  10.585
  636    HD2  ARG  83           HD2      ARG  83   8.071  -0.699  11.900
  637    HD3  ARG  83           HD3      ARG  83   7.478  -2.256  12.495
  638    HE   ARG  83           HE       ARG  83   9.862  -1.480  13.915
  639   HH11  ARG  83          HH11      ARG  83   6.416  -0.691  13.699
  640   HH12  ARG  83          HH12      ARG  83   6.297  -0.249  15.383
  641   HH21  ARG  83          HH21      ARG  83   9.679  -0.874  16.094
  642   HH22  ARG  83          HH22      ARG  83   8.147  -0.296  16.719
  643    H    GLU  84           H        GLU  84   8.417  -5.095  10.858
  644    HA   GLU  84           HA       GLU  84   9.034  -5.932   8.059
  645    HB2  GLU  84           HB2      GLU  84   6.839  -6.684  10.029
  646    HB3  GLU  84           HB3      GLU  84   6.838  -7.180   8.328
  647    HG2  GLU  84           HG2      GLU  84   9.045  -8.286   8.670
  648    HG3  GLU  84           HG3      GLU  84   9.010  -7.776  10.369
  649    H    LEU  85           H        LEU  85   7.368  -5.574   6.463
  650    HA   LEU  85           HA       LEU  85   5.559  -3.256   6.974
  651    HB2  LEU  85           HB2      LEU  85   7.249  -3.840   4.505
  652    HB3  LEU  85           HB3      LEU  85   6.036  -2.556   4.631
  653    HG   LEU  85           HG       LEU  85   8.638  -2.778   6.200
  654   HD11  LEU  85          HD11      LEU  85   8.850  -2.102   3.834
  655   HD12  LEU  85          HD12      LEU  85   7.638  -0.819   4.083
  656   HD13  LEU  85          HD13      LEU  85   9.208  -0.735   4.902
  657   HD21  LEU  85          HD21      LEU  85   6.388  -0.725   6.356
  658   HD22  LEU  85          HD22      LEU  85   7.009  -1.746   7.674
  659   HD23  LEU  85          HD23      LEU  85   8.023  -0.464   7.015
  660    H    ARG  86           H        ARG  86   3.574  -3.372   5.680
  661    HA   ARG  86           HA       ARG  86   3.029  -6.082   4.591
  662    HB2  ARG  86           HB2      ARG  86   1.678  -4.702   6.942
  663    HB3  ARG  86           HB3      ARG  86   0.854  -5.968   6.039
  664    HG2  ARG  86           HG2      ARG  86   3.567  -6.271   7.408
  665    HG3  ARG  86           HG3      ARG  86   2.025  -6.823   8.089
  666    HD2  ARG  86           HD2      ARG  86   1.728  -8.474   6.396
  667    HD3  ARG  86           HD3      ARG  86   2.979  -7.764   5.373
  668    HE   ARG  86           HE       ARG  86   3.933  -8.701   7.970
  669   HH11  ARG  86          HH11      ARG  86   3.425  -9.434   4.542
  670   HH12  ARG  86          HH12      ARG  86   4.600 -10.731   4.528
  671   HH21  ARG  86          HH21      ARG  86   5.545 -10.330   7.879
  672   HH22  ARG  86          HH22      ARG  86   5.775 -11.250   6.415
  673    H    VAL  87           H        VAL  87   1.623  -6.192   3.020
  674    HA   VAL  87           HA       VAL  87  -0.139  -3.937   2.331
  675    HB   VAL  87           HB       VAL  87   2.029  -4.965   0.445
  676   HG11  VAL  87          HG11      VAL  87  -0.115  -2.816   0.110
  677   HG12  VAL  87          HG12      VAL  87   1.170  -3.184  -1.053
  678   HG13  VAL  87          HG13      VAL  87  -0.073  -4.403  -0.691
  679   HG21  VAL  87          HG21      VAL  87   3.116  -3.510   1.981
  680   HG22  VAL  87          HG22      VAL  87   2.769  -2.528   0.538
  681   HG23  VAL  87          HG23      VAL  87   1.743  -2.373   1.983
  682    H    GLN  88           H        GLN  88  -2.048  -4.895   1.688
  683    HA   GLN  88           HA       GLN  88  -2.081  -7.142  -0.119
  684    HB2  GLN  88           HB2      GLN  88  -3.268  -8.712   1.352
  685    HB3  GLN  88           HB3      GLN  88  -1.632  -8.418   1.934
  686    HG2  GLN  88           HG2      GLN  88  -4.087  -6.986   3.037
  687    HG3  GLN  88           HG3      GLN  88  -3.444  -8.478   3.716
  688   HE21  GLN  88          HE22      GLN  88  -3.451  -5.203   4.117
  689   HE22  GLN  88          HE21      GLN  88  -1.935  -5.029   4.990
  690    H    MET  89           H        MET  89  -4.401  -7.849  -0.545
  691    HA   MET  89           HA       MET  89  -5.949  -5.547  -1.133
  692    HB2  MET  89           HB2      MET  89  -6.554  -8.521  -1.183
  693    HB3  MET  89           HB3      MET  89  -7.728  -7.279  -1.669
  694    HG2  MET  89           HG2      MET  89  -6.575  -8.033  -3.653
  695    HG3  MET  89           HG3      MET  89  -6.141  -6.368  -3.300
  696    HE1  MET  89           HE1      MET  89  -2.855  -7.340  -4.936
  697    HE2  MET  89           HE2      MET  89  -4.524  -7.725  -5.442
  698    HE3  MET  89           HE3      MET  89  -4.148  -6.137  -4.753
  699    H    ALA  90           H        ALA  90  -7.833  -4.699  -0.290
  700    HA   ALA  90           HA       ALA  90  -8.128  -4.897   2.567
  701    HB1  ALA  90           HB1      ALA  90  -9.858  -3.198   2.241
  702    HB2  ALA  90           HB2      ALA  90  -8.426  -2.811   1.267
  703    HB3  ALA  90           HB3      ALA  90  -9.863  -3.508   0.488
  704    H    ARG  91           H        ARG  91 -10.579  -4.952   3.381
  705    HA   ARG  91           HA       ARG  91 -12.028  -7.217   2.100
  706    HB2  ARG  91           HB2      ARG  91 -12.293  -8.355   4.183
  707    HB3  ARG  91           HB3      ARG  91 -10.547  -8.038   3.958
  708    HG2  ARG  91           HG2      ARG  91 -10.919  -5.947   5.412
  709    HG3  ARG  91           HG3      ARG  91 -12.522  -6.619   5.786
  710    HD2  ARG  91           HD2      ARG  91 -11.476  -8.646   6.693
  711    HD3  ARG  91           HD3      ARG  91  -9.864  -8.012   6.277
  712    HE   ARG  91           HE       ARG  91 -11.194  -6.097   7.897
  713   HH11  ARG  91          HH11      ARG  91  -9.825  -9.348   8.154
  714   HH12  ARG  91          HH12      ARG  91  -9.409  -9.162   9.844
  715   HH21  ARG  91          HH21      ARG  91 -10.628  -5.880  10.092
  716   HH22  ARG  91          HH22      ARG  91  -9.868  -7.212  10.933
  717    H    TYR  92           H        TYR  92 -12.086  -4.192   3.714
  718    HA   TYR  92           HA       TYR  92 -15.060  -4.241   3.677
  719    HB2  TYR  92           HB2      TYR  92 -13.326  -2.953   5.812
  720    HB3  TYR  92           HB3      TYR  92 -15.077  -2.862   5.721
  721    HD1  TYR  92           HD1      TYR  92 -15.841  -5.708   5.202
  722    HD2  TYR  92           HD2      TYR  92 -12.880  -4.002   7.812
  723    HE1  TYR  92           HE1      TYR  92 -16.030  -7.675   6.695
  724    HE2  TYR  92           HE2      TYR  92 -13.073  -5.951   9.326
  725    HH   TYR  92           HH       TYR  92 -15.292  -8.684   8.628
  726    H    GLY  93           H        GLY  93 -15.910  -1.887   3.857
  727    HA2  GLY  93           HA2      GLY  93 -14.191  -0.056   2.237
  728    HA3  GLY  93           HA3      GLY  93 -15.954   0.033   2.425
  729    H    ARG  94           H        ARG  94 -16.027  -0.408   5.303
  730    HA   ARG  94           HA       ARG  94 -14.268   1.476   6.609
  731    HB2  ARG  94           HB2      ARG  94 -17.295   1.878   6.485
  732    HB3  ARG  94           HB3      ARG  94 -16.228   2.639   7.680
  733    HG2  ARG  94           HG2      ARG  94 -14.916   3.642   5.772
  734    HG3  ARG  94           HG3      ARG  94 -16.202   3.060   4.687
  735    HD2  ARG  94           HD2      ARG  94 -17.871   4.360   5.921
  736    HD3  ARG  94           HD3      ARG  94 -16.658   4.841   7.121
  737    HE   ARG  94           HE       ARG  94 -17.080   5.978   4.471
  738   HH11  ARG  94          HH11      ARG  94 -14.738   5.512   7.079
  739   HH12  ARG  94          HH12      ARG  94 -13.820   6.939   6.677
  740   HH21  ARG  94          HH21      ARG  94 -15.834   7.831   3.945
  741   HH22  ARG  94          HH22      ARG  94 -14.422   8.231   4.898
  742    HA   PRO  95           HA       PRO  95 -14.901  -1.644   9.742
  743    HB2  PRO  95           HB2      PRO  95 -14.265  -0.118  11.955
  744    HB3  PRO  95           HB3      PRO  95 -13.076  -0.773  10.782
  745    HG2  PRO  95           HG2      PRO  95 -14.308   2.014  10.800
  746    HG3  PRO  95           HG3      PRO  95 -12.572   1.598  10.640
  747    HD2  PRO  95           HD2      PRO  95 -14.054   2.122   8.498
  748    HD3  PRO  95           HD3      PRO  95 -12.900   0.750   8.459
  749    HA   PRO  96           HA       PRO  96 -19.140  -0.482  10.739
  750    HB2  PRO  96           HB2      PRO  96 -20.073  -2.944  11.339
  751    HB3  PRO  96           HB3      PRO  96 -19.602  -2.519   9.658
  752    HG2  PRO  96           HG2      PRO  96 -17.963  -3.984  11.748
  753    HG3  PRO  96           HG3      PRO  96 -18.251  -4.461  10.038
  754    HD2  PRO  96           HD2      PRO  96 -16.008  -3.103  10.836
  755    HD3  PRO  96           HD3      PRO  96 -16.771  -2.837   9.234
  756    H    ASP  97           H        ASP  97 -16.688  -1.308  12.851
  757    HA   ASP  97           HA       ASP  97 -18.451  -1.076  15.226
  758    HB2  ASP  97           HB2      ASP  97 -18.012  -3.485  14.670
  759    HB3  ASP  97           HB3      ASP  97 -16.285  -3.184  14.916
  760    H    SER  98           H        SER  98 -16.655   0.884  13.964
  761    HA   SER  98           HA       SER  98 -14.804   1.263  16.287
  762    HB2  SER  98           HB2      SER  98 -14.252   1.886  13.366
  763    HB3  SER  98           HB3      SER  98 -13.214   2.344  14.722
  764    HG   SER  98           HG       SER  98 -12.618   0.341  13.691
  765    H    HIS  99           H        HIS  99 -17.257   2.621  14.200
  766    HA   HIS  99           HA       HIS  99 -17.412   4.975  15.895
  767    HB2  HIS  99           HB2      HIS  99 -15.588   5.659  14.417
  768    HB3  HIS  99           HB3      HIS  99 -16.528   5.199  12.989
  769    HD2  HIS  99           HD2      HIS  99 -17.320   7.517  16.051
  770    HE1  HIS  99           HE1      HIS  99 -18.332   9.625  12.501
  771    HE2  HIS  99           HE2      HIS  99 -18.309   9.723  15.041
  772    H    HIS 100           H        HIS 100 -19.436   6.034  15.644
  773    HA   HIS 100           HA       HIS 100 -21.303   5.004  13.605
  774    HB2  HIS 100           HB2      HIS 100 -21.813   4.717  16.589
  775    HB3  HIS 100           HB3      HIS 100 -22.920   4.272  15.288
  776    HD2  HIS 100           HD2      HIS 100 -22.089   2.152  13.660
  777    HE1  HIS 100           HE1      HIS 100 -19.536   0.469  16.614
  778    HE2  HIS 100           HE2      HIS 100 -20.711   0.052  14.395
  779    H    SER 101           H        SER 101 -20.115   7.655  15.212
  780    HA   SER 101           HA       SER 101 -22.628   9.175  14.841
  781    HB2  SER 101           HB2      SER 101 -21.069   9.114  17.453
  782    HB3  SER 101           HB3      SER 101 -22.417  10.207  17.072
  783    HG   SER 101           HG       SER 101 -23.078   8.343  18.239
  784    H5'    U 102           H5'        U 102  -4.861  -6.576  12.924
  785   H5''    U 102          H5''        U 102  -3.201  -6.622  13.569
  786    H4'    U 102           H4'        U 102  -5.059  -4.264  14.030
  787    H3'    U 102           H3'        U 102  -3.112  -4.859  11.789
  788    H2'    U 102           H2'        U 102  -2.473  -2.564  11.836
  789   HO2'    U 102          HO2'        U 102  -4.636  -1.756  11.753
  790    H1'    U 102           H1'        U 102  -3.085  -2.230  14.612
  791    H3     U 102           H3         U 102   1.557  -4.148  12.730
  792    H5     U 102           H5         U 102   1.152  -0.950  15.417
  793    H6     U 102           H6         U 102  -1.263  -1.293  15.354
  794   HO5'    U 102          HO5'        U 102  -4.116  -6.347  15.663
  795    H5'    C 103           H5'        C 103  -6.064  -1.400   9.004
  796   H5''    C 103          H5''        C 103  -6.530  -1.663  10.696
  797    H4'    C 103           H4'        C 103  -8.319  -0.602   9.408
  798    H3'    C 103           H3'        C 103  -8.658  -2.736  11.145
  799    H2'    C 103           H2'        C 103  -8.872  -4.451   9.627
  800   HO2'    C 103          HO2'        C 103 -11.419  -3.221   9.696
  801    H1'    C 103           H1'        C 103 -10.285  -2.799   7.545
  802    H41    C 103           H41        C 103  -7.625  -6.884   3.456
  803    H42    C 103           H42        C 103  -6.774  -7.687   4.756
  804    H5     C 103           H5         C 103  -6.805  -6.882   7.067
  805    H6     C 103           H6         C 103  -7.646  -5.214   8.536
  806    H5'    C 104           H5'        C 104  -9.060   2.302  11.457
  807   H5''    C 104          H5''        C 104 -10.813   2.419  11.710
  808    H4'    C 104           H4'        C 104  -9.764   4.271  10.320
  809    H3'    C 104           H3'        C 104 -11.983   2.634   9.081
  810    H2'    C 104           H2'        C 104 -11.929   4.147   7.297
  811   HO2'    C 104          HO2'        C 104 -11.771   6.112   8.513
  812    H1'    C 104           H1'        C 104  -9.173   4.397   7.271
  813    H41    C 104           H41        C 104 -11.084   0.377   2.701
  814    H42    C 104           H42        C 104 -11.780  -0.729   3.867
  815    H5     C 104           H5         C 104 -11.702  -0.318   6.300
  816    H6     C 104           H6         C 104 -11.025   1.272   7.986
  817    H5'    A 105           H5'        A 105 -15.589   6.693  10.618
  818   H5''    A 105          H5''        A 105 -14.780   8.143  10.021
  819    H4'    A 105           H4'        A 105 -14.715   8.025  12.457
  820    H3'    A 105           H3'        A 105 -12.520   8.604  10.765
  821    H2'    A 105           H2'        A 105 -11.475   6.534  11.366
  822   HO2'    A 105          HO2'        A 105 -10.545   8.648  12.843
  823    H1'    A 105           H1'        A 105 -12.671   7.133  14.092
  824    H8     A 105           H8         A 105 -10.802   4.531  12.083
  825    H61    A 105           H61        A 105 -10.127   1.598  17.528
  826    H62    A 105           H62        A 105  -9.667   1.585  15.834
  827    H2     A 105           H2         A 105 -12.840   5.060  18.116
  828    H5'    G 106           H5'        G 106 -10.129  12.229  11.161
  829   H5''    G 106          H5''        G 106 -11.619  13.154  11.408
  830    H4'    G 106           H4'        G 106 -10.878  13.634   9.188
  831    H3'    G 106           H3'        G 106 -13.139  11.619   9.176
  832    H2'    G 106           H2'        G 106 -13.177  11.945   6.776
  833   HO2'    G 106          HO2'        G 106 -12.783  14.272   6.934
  834    H1'    G 106           H1'        G 106 -10.427  11.886   6.526
  835    H8     G 106           H8         G 106 -13.044   9.685   8.464
  836    H1     G 106           H1         G 106  -9.479   6.780   3.980
  837    H21    G 106           H21        G 106  -7.967   8.202   3.207
  838    H22    G 106           H22        G 106  -7.808   9.826   3.844
  839    H5'    U 107           H5'        U 107 -13.955  15.515   6.732
  840   H5''    U 107          H5''        U 107 -15.486  16.003   7.493
  841    H4'    U 107           H4'        U 107 -16.761  15.222   5.571
  842    H3'    U 107           H3'        U 107 -14.832  13.494   4.805
  843   HO3'    U 107          HO3'        U 107 -16.328  15.221   3.096
  844    H2'    U 107           H2'        U 107 -13.068  15.053   4.669
  845   HO2'    U 107          HO2'        U 107 -14.239  15.023   2.074
  846    H1'    U 107           H1'        U 107 -14.609  17.065   3.100
  847    H3     U 107           H3         U 107 -12.457  19.944   6.677
  848    H5     U 107           H5         U 107  -9.887  17.793   4.145
  849    H6     U 107           H6         U 107 -11.803  16.536   3.360
  Start of MODEL   16
    1    H    MET   1           H1       MET   1  -3.706  21.378   7.264
    2    HA   MET   1           HA       MET   1  -4.257  19.133   6.648
    3    HB2  MET   1           HB2      MET   1  -5.447  21.264   4.834
    4    HB3  MET   1           HB3      MET   1  -6.127  19.647   5.099
    5    HG2  MET   1           HG2      MET   1  -6.320  20.120   7.516
    6    HG3  MET   1           HG3      MET   1  -5.668  21.745   7.254
    7    HE1  MET   1           HE1      MET   1  -7.718  22.737   8.590
    8    HE2  MET   1           HE2      MET   1  -9.418  22.366   8.209
    9    HE3  MET   1           HE3      MET   1  -8.346  21.088   8.817
   10    H    SER   2           H        SER   2  -3.919  17.416   5.316
   11    HA   SER   2           HA       SER   2  -2.835  17.887   2.605
   12    HB2  SER   2           HB2      SER   2  -1.438  16.201   4.717
   13    HB3  SER   2           HB3      SER   2  -0.936  16.362   3.024
   14    HG   SER   2           HG       SER   2  -0.663  18.618   3.438
   15    H    TYR   3           H        TYR   3  -5.233  16.547   4.238
   16    HA   TYR   3           HA       TYR   3  -5.356  14.136   2.513
   17    HB2  TYR   3           HB2      TYR   3  -5.953  14.136   5.493
   18    HB3  TYR   3           HB3      TYR   3  -6.060  12.762   4.392
   19    HD1  TYR   3           HD1      TYR   3  -4.003  11.814   3.358
   20    HD2  TYR   3           HD2      TYR   3  -3.847  14.787   6.463
   21    HE1  TYR   3           HE1      TYR   3  -1.615  11.258   3.755
   22    HE2  TYR   3           HE2      TYR   3  -1.452  14.273   6.841
   23    HH   TYR   3           HH       TYR   3   0.276  11.795   4.921
   24    H    GLY   4           H        GLY   4  -7.703  13.117   2.940
   25    HA2  GLY   4           HA2      GLY   4  -9.775  15.041   3.552
   26    HA3  GLY   4           HA3      GLY   4  -9.552  14.816   1.805
   27    H    ARG   5           H        ARG   5 -11.972  14.187   2.702
   28    HA   ARG   5           HA       ARG   5 -12.415  11.622   3.750
   29    HB2  ARG   5           HB2      ARG   5 -14.694  11.972   2.962
   30    HB3  ARG   5           HB3      ARG   5 -14.037  13.482   3.609
   31    HG2  ARG   5           HG2      ARG   5 -13.493  14.195   1.260
   32    HG3  ARG   5           HG3      ARG   5 -14.266  12.723   0.656
   33    HD2  ARG   5           HD2      ARG   5 -15.593  14.934   2.281
   34    HD3  ARG   5           HD3      ARG   5 -15.787  14.642   0.549
   35    HE   ARG   5           HE       ARG   5 -16.938  12.566   1.027
   36   HH11  ARG   5          HH11      ARG   5 -16.415  14.686   3.801
   37   HH12  ARG   5          HH12      ARG   5 -17.698  13.964   4.748
   38   HH21  ARG   5          HH21      ARG   5 -18.605  11.631   2.285
   39   HH22  ARG   5          HH22      ARG   5 -18.932  12.238   3.885
   40    HA   PRO   6           HA       PRO   6 -11.639   8.855   0.393
   41    HB2  PRO   6           HB2      PRO   6 -13.421   6.851   0.942
   42    HB3  PRO   6           HB3      PRO   6 -12.021   7.204   2.007
   43    HG2  PRO   6           HG2      PRO   6 -14.882   8.165   2.308
   44    HG3  PRO   6           HG3      PRO   6 -13.845   7.386   3.552
   45    HD2  PRO   6           HD2      PRO   6 -14.110  10.101   3.398
   46    HD3  PRO   6           HD3      PRO   6 -12.529   9.364   3.796
   47    HA   PRO   7           HA       PRO   7 -14.631   9.648  -2.777
   48    HB2  PRO   7           HB2      PRO   7 -14.289   7.541  -4.501
   49    HB3  PRO   7           HB3      PRO   7 -13.041   8.806  -4.257
   50    HG2  PRO   7           HG2      PRO   7 -13.217   6.080  -2.958
   51    HG3  PRO   7           HG3      PRO   7 -11.786   6.842  -3.734
   52    HD2  PRO   7           HD2      PRO   7 -12.176   6.897  -1.028
   53    HD3  PRO   7           HD3      PRO   7 -11.441   8.279  -1.897
   54    HA   PRO   8           HA       PRO   8 -18.279   7.379  -1.772
   55    HB2  PRO   8           HB2      PRO   8 -19.946   8.011  -3.806
   56    HB3  PRO   8           HB3      PRO   8 -19.236   9.290  -2.758
   57    HG2  PRO   8           HG2      PRO   8 -18.218   8.329  -5.451
   58    HG3  PRO   8           HG3      PRO   8 -18.582  10.022  -4.963
   59    HD2  PRO   8           HD2      PRO   8 -16.060   8.969  -4.817
   60    HD3  PRO   8           HD3      PRO   8 -16.661  10.129  -3.600
   61    H    ASP   9           H        ASP   9 -16.111   5.911  -3.569
   62    HA   ASP   9           HA       ASP   9 -17.973   3.849  -4.580
   63    HB2  ASP   9           HB2      ASP   9 -17.350   5.532  -6.377
   64    HB3  ASP   9           HB3      ASP   9 -15.679   4.969  -6.233
   65    H    VAL  10           H        VAL  10 -16.014   4.130  -2.280
   66    HA   VAL  10           HA       VAL  10 -13.807   2.382  -2.775
   67    HB   VAL  10           HB       VAL  10 -13.675   2.198  -0.315
   68   HG11  VAL  10          HG11      VAL  10 -12.703   4.141  -1.485
   69   HG12  VAL  10          HG12      VAL  10 -14.242   5.023  -1.287
   70   HG13  VAL  10          HG13      VAL  10 -13.283   4.567   0.139
   71   HG21  VAL  10          HG21      VAL  10 -16.261   3.828  -0.326
   72   HG22  VAL  10          HG22      VAL  10 -16.083   2.147   0.209
   73   HG23  VAL  10          HG23      VAL  10 -15.266   3.447   1.097
   74    H    GLU  11           H        GLU  11 -16.855   1.520  -3.319
   75    HA   GLU  11           HA       GLU  11 -16.486  -1.232  -2.234
   76    HB2  GLU  11           HB2      GLU  11 -19.123   0.258  -2.562
   77    HB3  GLU  11           HB3      GLU  11 -18.904  -1.377  -1.922
   78    HG2  GLU  11           HG2      GLU  11 -17.485  -0.424  -0.094
   79    HG3  GLU  11           HG3      GLU  11 -17.852   1.203  -0.710
   80    H    GLY  12           H        GLY  12 -16.097   0.435  -4.875
   81    HA2  GLY  12           HA2      GLY  12 -17.181  -1.664  -6.676
   82    HA3  GLY  12           HA3      GLY  12 -17.508   0.045  -7.031
   83    H    MET  13           H        MET  13 -14.460  -0.635  -5.514
   84    HA   MET  13           HA       MET  13 -13.014  -0.806  -8.095
   85    HB2  MET  13           HB2      MET  13 -12.449   1.259  -5.924
   86    HB3  MET  13           HB3      MET  13 -11.469   0.976  -7.366
   87    HG2  MET  13           HG2      MET  13 -13.459   1.549  -8.775
   88    HG3  MET  13           HG3      MET  13 -14.328   1.993  -7.302
   89    HE1  MET  13           HE1      MET  13 -11.893   3.356  -5.590
   90    HE2  MET  13           HE2      MET  13 -12.216   5.061  -5.994
   91    HE3  MET  13           HE3      MET  13 -13.567   3.960  -5.667
   92    H    THR  14           H        THR  14 -10.627  -1.185  -7.683
   93    HA   THR  14           HA       THR  14 -10.189  -3.351  -5.878
   94    HB   THR  14           HB       THR  14  -8.188  -1.483  -7.206
   95   HG21  THR  14          HG21      THR  14  -7.068  -2.919  -5.586
   96   HG22  THR  14          HG22      THR  14  -7.954  -4.348  -6.184
   97   HG23  THR  14          HG23      THR  14  -6.745  -3.543  -7.208
   98    H    SER  15           H        SER  15  -8.668  -3.362  -4.035
   99    HA   SER  15           HA       SER  15  -8.105  -0.788  -2.706
  100    HB2  SER  15           HB2      SER  15  -9.792  -3.000  -1.444
  101    HB3  SER  15           HB3      SER  15  -9.148  -1.576  -0.599
  102    HG   SER  15           HG       SER  15 -11.333  -1.323  -1.296
  103    H    LEU  16           H        LEU  16  -6.103  -0.899  -1.965
  104    HA   LEU  16           HA       LEU  16  -5.065  -3.546  -1.039
  105    HB2  LEU  16           HB2      LEU  16  -4.210  -2.981  -3.324
  106    HB3  LEU  16           HB3      LEU  16  -3.538  -1.478  -2.660
  107    HG   LEU  16           HG       LEU  16  -2.359  -3.090  -0.930
  108   HD11  LEU  16          HD11      LEU  16  -1.846  -5.282  -1.845
  109   HD12  LEU  16          HD12      LEU  16  -3.618  -5.105  -1.779
  110   HD13  LEU  16          HD13      LEU  16  -2.758  -4.921  -3.327
  111   HD21  LEU  16          HD21      LEU  16  -1.565  -2.818  -3.856
  112   HD22  LEU  16          HD22      LEU  16  -1.135  -1.716  -2.532
  113   HD23  LEU  16          HD23      LEU  16  -0.473  -3.370  -2.577
  114    H    LYS  17           H        LYS  17  -5.351  -3.061   1.113
  115    HA   LYS  17           HA       LYS  17  -4.522  -0.665   2.417
  116    HB2  LYS  17           HB2      LYS  17  -6.085  -1.923   3.521
  117    HB3  LYS  17           HB3      LYS  17  -5.228  -3.459   3.277
  118    HG2  LYS  17           HG2      LYS  17  -3.641  -2.905   5.011
  119    HG3  LYS  17           HG3      LYS  17  -4.247  -1.227   5.094
  120    HD2  LYS  17           HD2      LYS  17  -6.451  -2.061   5.842
  121    HD3  LYS  17           HD3      LYS  17  -5.885  -3.729   5.657
  122    HE2  LYS  17           HE2      LYS  17  -5.853  -3.117   8.002
  123    HE3  LYS  17           HE3      LYS  17  -4.196  -3.362   7.428
  124    HZ1  LYS  17           HZ1      LYS  17  -3.984  -0.965   7.268
  125    HZ2  LYS  17           HZ2      LYS  17  -5.536  -0.758   7.769
  126    HZ3  LYS  17           HZ3      LYS  17  -4.407  -1.400   8.783
  127    H    VAL  18           H        VAL  18  -2.685  -0.168   3.596
  128    HA   VAL  18           HA       VAL  18  -0.303  -1.958   3.417
  129    HB   VAL  18           HB       VAL  18  -0.459   1.049   3.015
  130   HG11  VAL  18          HG11      VAL  18   1.581   0.344   4.168
  131   HG12  VAL  18          HG12      VAL  18   1.939  -0.808   2.854
  132   HG13  VAL  18          HG13      VAL  18   1.927   0.954   2.544
  133   HG21  VAL  18          HG21      VAL  18   0.345   0.641   0.711
  134   HG22  VAL  18          HG22      VAL  18   0.289  -1.106   0.994
  135   HG23  VAL  18          HG23      VAL  18  -1.221  -0.155   0.974
  136    H    ASP  19           H        ASP  19   0.883  -1.974   5.315
  137    HA   ASP  19           HA       ASP  19   0.189  -0.172   7.545
  138    HB2  ASP  19           HB2      ASP  19  -0.482  -2.035   8.978
  139    HB3  ASP  19           HB3      ASP  19  -1.540  -1.954   7.559
  140    H    ASN  20           H        ASN  20   1.253  -1.378   9.602
  141    HA   ASN  20           HA       ASN  20   3.133  -1.678  10.750
  142    HB2  ASN  20           HB2      ASN  20   3.404  -3.636   9.054
  143    HB3  ASN  20           HB3      ASN  20   4.653  -2.630   8.317
  144   HD21  ASN  20          HD22      ASN  20   6.686  -2.738   9.225
  145   HD22  ASN  20          HD21      ASN  20   7.027  -3.422  10.805
  146    H    LEU  21           H        LEU  21   3.394   0.416  11.254
  147    HA   LEU  21           HA       LEU  21   5.369   2.045   9.707
  148    HB2  LEU  21           HB2      LEU  21   2.818   2.565  11.172
  149    HB3  LEU  21           HB3      LEU  21   4.109   3.737  11.474
  150    HG   LEU  21           HG       LEU  21   3.252   3.044   8.663
  151   HD11  LEU  21          HD11      LEU  21   1.379   3.980  10.018
  152   HD12  LEU  21          HD12      LEU  21   2.438   5.297  10.568
  153   HD13  LEU  21          HD13      LEU  21   1.975   5.189   8.847
  154   HD21  LEU  21          HD21      LEU  21   4.828   5.245  10.033
  155   HD22  LEU  21          HD22      LEU  21   5.500   3.968   9.005
  156   HD23  LEU  21          HD23      LEU  21   4.424   5.214   8.289
  157    H    THR  22           H        THR  22   6.699   3.537  11.063
  158    HA   THR  22           HA       THR  22   7.017   2.566  13.865
  159    HB   THR  22           HB       THR  22   9.163   3.690  13.943
  160   HG21  THR  22          HG21      THR  22   9.210   2.311  11.276
  161   HG22  THR  22          HG22      THR  22  10.476   2.372  12.518
  162   HG23  THR  22          HG23      THR  22   9.016   1.386  12.801
  163    H    TYR  23           H        TYR  23   7.484   4.243  15.454
  164    HA   TYR  23           HA       TYR  23   5.670   6.473  15.364
  165    HB2  TYR  23           HB2      TYR  23   6.612   7.023  17.545
  166    HB3  TYR  23           HB3      TYR  23   6.230   5.308  17.440
  167    HD1  TYR  23           HD1      TYR  23   8.036   3.614  17.324
  168    HD2  TYR  23           HD2      TYR  23   8.890   7.802  17.795
  169    HE1  TYR  23           HE1      TYR  23  10.358   3.060  17.984
  170    HE2  TYR  23           HE2      TYR  23  11.211   7.257  18.477
  171    HH   TYR  23           HH       TYR  23  12.399   3.888  18.651
  172    H    ARG  24           H        ARG  24   8.400   6.071  13.623
  173    HA   ARG  24           HA       ARG  24   9.132   8.964  13.715
  174    HB2  ARG  24           HB2      ARG  24  10.869   6.562  13.023
  175    HB3  ARG  24           HB3      ARG  24  11.392   8.253  12.978
  176    HG2  ARG  24           HG2      ARG  24  10.532   6.699  15.455
  177    HG3  ARG  24           HG3      ARG  24  12.191   7.122  15.012
  178    HD2  ARG  24           HD2      ARG  24   9.959   9.097  15.582
  179    HD3  ARG  24           HD3      ARG  24  11.272   8.678  16.702
  180    HE   ARG  24           HE       ARG  24  12.638   9.503  14.480
  181   HH11  ARG  24          HH11      ARG  24  10.030  10.950  16.372
  182   HH12  ARG  24          HH12      ARG  24  10.534  12.592  16.028
  183   HH21  ARG  24          HH21      ARG  24  13.264  11.644  14.038
  184   HH22  ARG  24          HH22      ARG  24  12.374  12.981  14.722
  185    H    THR  25           H        THR  25   7.564   6.574  11.973
  186    HA   THR  25           HA       THR  25   8.073   8.006   9.409
  187    HB   THR  25           HB       THR  25   6.794   5.284   9.824
  188   HG21  THR  25          HG21      THR  25   6.154   6.354   7.666
  189   HG22  THR  25          HG22      THR  25   7.861   6.727   7.347
  190   HG23  THR  25          HG23      THR  25   7.297   5.038   7.384
  191    H    SER  26           H        SER  26   5.912   8.119   8.061
  192    HA   SER  26           HA       SER  26   3.592   8.752   9.763
  193    HB2  SER  26           HB2      SER  26   5.251  10.819   8.234
  194    HB3  SER  26           HB3      SER  26   3.647  11.157   8.890
  195    HG   SER  26           HG       SER  26   5.350  11.769  10.306
  196    HA   PRO  27           HA       PRO  27   1.411   7.871   6.071
  197    HB2  PRO  27           HB2      PRO  27  -0.699   9.635   6.045
  198    HB3  PRO  27           HB3      PRO  27  -0.570   8.264   7.189
  199    HG2  PRO  27           HG2      PRO  27   0.158  11.159   7.669
  200    HG3  PRO  27           HG3      PRO  27  -0.777  10.052   8.730
  201    HD2  PRO  27           HD2      PRO  27   1.872  10.548   9.116
  202    HD3  PRO  27           HD3      PRO  27   1.180   8.935   9.424
  203    H    ASP  28           H        ASP  28   2.769  11.087   6.481
  204    HA   ASP  28           HA       ASP  28   2.325  11.914   3.722
  205    HB2  ASP  28           HB2      ASP  28   2.811  13.530   5.573
  206    HB3  ASP  28           HB3      ASP  28   4.414  12.775   5.769
  207    H    THR  29           H        THR  29   4.748  10.122   5.612
  208    HA   THR  29           HA       THR  29   6.730  10.035   3.541
  209    HB   THR  29           HB       THR  29   6.427   7.725   5.415
  210   HG21  THR  29          HG21      THR  29   8.858   8.108   5.668
  211   HG22  THR  29          HG22      THR  29   8.391   7.962   3.959
  212   HG23  THR  29          HG23      THR  29   8.725   9.569   4.651
  213    H    LEU  30           H        LEU  30   4.086   7.787   4.596
  214    HA   LEU  30           HA       LEU  30   4.646   5.836   2.607
  215    HB2  LEU  30           HB2      LEU  30   1.967   6.485   3.893
  216    HB3  LEU  30           HB3      LEU  30   2.441   4.971   3.095
  217    HG   LEU  30           HG       LEU  30   3.738   6.091   5.619
  218   HD11  LEU  30          HD11      LEU  30   2.511   4.312   6.764
  219   HD12  LEU  30          HD12      LEU  30   1.382   5.406   5.932
  220   HD13  LEU  30          HD13      LEU  30   1.753   3.815   5.234
  221   HD21  LEU  30          HD21      LEU  30   3.981   3.381   4.255
  222   HD22  LEU  30          HD22      LEU  30   5.244   4.641   4.253
  223   HD23  LEU  30          HD23      LEU  30   4.764   3.868   5.778
  224    H    ARG  31           H        ARG  31   2.787   8.849   2.522
  225    HA   ARG  31           HA       ARG  31   1.270   8.318   0.161
  226    HB2  ARG  31           HB2      ARG  31   0.730  10.157   1.650
  227    HB3  ARG  31           HB3      ARG  31   2.324  10.884   1.426
  228    HG2  ARG  31           HG2      ARG  31   0.612  12.088   0.162
  229    HG3  ARG  31           HG3      ARG  31   1.811  11.369  -0.921
  230    HD2  ARG  31           HD2      ARG  31   0.262   9.494  -1.402
  231    HD3  ARG  31           HD3      ARG  31  -0.903  10.168  -0.249
  232    HE   ARG  31           HE       ARG  31  -1.591  11.685  -1.841
  233   HH11  ARG  31          HH11      ARG  31   1.509  10.300  -2.830
  234   HH12  ARG  31          HH12      ARG  31   1.514  11.136  -4.372
  235   HH21  ARG  31          HH21      ARG  31  -1.562  12.723  -3.890
  236   HH22  ARG  31          HH22      ARG  31  -0.221  12.444  -4.983
  237    H    ARG  32           H        ARG  32   4.545   9.573   0.678
  238    HA   ARG  32           HA       ARG  32   4.976  10.058  -2.202
  239    HB2  ARG  32           HB2      ARG  32   5.741  11.616  -0.475
  240    HB3  ARG  32           HB3      ARG  32   6.675  10.330   0.310
  241    HG2  ARG  32           HG2      ARG  32   8.091  10.136  -1.726
  242    HG3  ARG  32           HG3      ARG  32   7.199  11.496  -2.451
  243    HD2  ARG  32           HD2      ARG  32   8.710  11.586   0.198
  244    HD3  ARG  32           HD3      ARG  32   9.329  12.206  -1.341
  245    HE   ARG  32           HE       ARG  32   7.747  13.977  -1.292
  246   HH11  ARG  32          HH11      ARG  32   7.556  11.963   1.621
  247   HH12  ARG  32          HH12      ARG  32   6.603  13.139   2.494
  248   HH21  ARG  32          HH21      ARG  32   6.542  15.486  -0.096
  249   HH22  ARG  32          HH22      ARG  32   6.073  15.121   1.549
  250    H    VAL  33           H        VAL  33   6.049   7.847   0.357
  251    HA   VAL  33           HA       VAL  33   8.019   6.383  -1.058
  252    HB   VAL  33           HB       VAL  33   6.123   5.776   1.227
  253   HG11  VAL  33          HG11      VAL  33   8.294   3.926   0.207
  254   HG12  VAL  33          HG12      VAL  33   7.385   3.765   1.735
  255   HG13  VAL  33          HG13      VAL  33   6.534   3.626   0.192
  256   HG21  VAL  33          HG21      VAL  33   8.058   7.388   1.515
  257   HG22  VAL  33          HG22      VAL  33   8.090   5.974   2.597
  258   HG23  VAL  33          HG23      VAL  33   9.153   6.036   1.163
  259    H    PHE  34           H        PHE  34   4.453   6.094  -0.993
  260    HA   PHE  34           HA       PHE  34   4.643   3.638  -2.648
  261    HB2  PHE  34           HB2      PHE  34   2.508   4.875  -0.921
  262    HB3  PHE  34           HB3      PHE  34   2.106   3.668  -2.127
  263    HD1  PHE  34           HD2      PHE  34   4.157   4.266   0.942
  264    HD2  PHE  34           HD1      PHE  34   2.554   1.334  -1.768
  265    HE1  PHE  34           HE2      PHE  34   4.832   2.453   2.502
  266    HE2  PHE  34           HE1      PHE  34   3.194  -0.460  -0.209
  267    HZ   PHE  34           HZ       PHE  34   4.352   0.088   1.924
  268    H    GLU  35           H        GLU  35   4.098   7.005  -2.974
  269    HA   GLU  35           HA       GLU  35   2.247   7.078  -5.123
  270    HB2  GLU  35           HB2      GLU  35   2.868   9.107  -4.046
  271    HB3  GLU  35           HB3      GLU  35   4.598   8.857  -4.375
  272    HG2  GLU  35           HG2      GLU  35   4.252   9.202  -6.745
  273    HG3  GLU  35           HG3      GLU  35   2.490   9.254  -6.519
  274    H    LYS  36           H        LYS  36   5.699   6.208  -5.074
  275    HA   LYS  36           HA       LYS  36   6.148   6.622  -7.876
  276    HB2  LYS  36           HB2      LYS  36   8.262   5.572  -7.475
  277    HB3  LYS  36           HB3      LYS  36   7.851   6.571  -6.057
  278    HG2  LYS  36           HG2      LYS  36   7.055   4.541  -4.871
  279    HG3  LYS  36           HG3      LYS  36   7.515   3.549  -6.271
  280    HD2  LYS  36           HD2      LYS  36   9.250   3.414  -4.582
  281    HD3  LYS  36           HD3      LYS  36   9.876   4.279  -6.000
  282    HE2  LYS  36           HE2      LYS  36   9.460   6.436  -4.865
  283    HE3  LYS  36           HE3      LYS  36   8.795   5.576  -3.463
  284    HZ1  LYS  36           HZ1      LYS  36  10.943   4.541  -3.167
  285    HZ2  LYS  36           HZ2      LYS  36  11.558   5.341  -4.461
  286    HZ3  LYS  36           HZ3      LYS  36  11.095   6.178  -3.129
  287    H    TYR  37           H        TYR  37   4.605   4.107  -6.107
  288    HA   TYR  37           HA       TYR  37   5.011   2.032  -8.123
  289    HB2  TYR  37           HB2      TYR  37   3.175   2.192  -5.709
  290    HB3  TYR  37           HB3      TYR  37   3.393   0.760  -6.724
  291    HD1  TYR  37           HD2      TYR  37   5.241   3.122  -4.500
  292    HD2  TYR  37           HD1      TYR  37   5.158  -0.736  -6.386
  293    HE1  TYR  37           HE2      TYR  37   7.266   2.468  -3.220
  294    HE2  TYR  37           HE1      TYR  37   7.174  -1.410  -5.106
  295    HH   TYR  37           HH       TYR  37   8.808  -0.743  -3.632
  296    H    GLY  38           H        GLY  38   2.952   4.761  -7.820
  297    HA2  GLY  38           HA2      GLY  38   1.941   4.769 -10.320
  298    HA3  GLY  38           HA3      GLY  38   0.839   3.629  -9.526
  299    H    ARG  39           H        ARG  39  -0.496   4.318  -7.830
  300    HA   ARG  39           HA       ARG  39  -0.455   7.105  -6.956
  301    HB2  ARG  39           HB2      ARG  39  -2.700   7.638  -7.622
  302    HB3  ARG  39           HB3      ARG  39  -1.804   7.136  -9.057
  303    HG2  ARG  39           HG2      ARG  39  -2.846   4.809  -8.759
  304    HG3  ARG  39           HG3      ARG  39  -3.861   5.527  -7.488
  305    HD2  ARG  39           HD2      ARG  39  -5.154   5.574  -9.480
  306    HD3  ARG  39           HD3      ARG  39  -4.650   7.235  -9.155
  307    HE   ARG  39           HE       ARG  39  -3.199   7.173 -11.017
  308   HH11  ARG  39          HH11      ARG  39  -4.784   4.062 -10.518
  309   HH12  ARG  39          HH12      ARG  39  -4.358   3.446 -12.098
  310   HH21  ARG  39          HH21      ARG  39  -2.632   6.338 -13.077
  311   HH22  ARG  39          HH22      ARG  39  -3.142   4.727 -13.534
  312    H    VAL  40           H        VAL  40  -0.734   6.998  -4.808
  313    HA   VAL  40           HA       VAL  40  -1.145   4.558  -3.464
  314    HB   VAL  40           HB       VAL  40  -1.283   5.817  -1.429
  315   HG11  VAL  40          HG11      VAL  40   0.908   5.688  -2.620
  316   HG12  VAL  40          HG12      VAL  40   0.576   7.283  -3.344
  317   HG13  VAL  40          HG13      VAL  40   0.760   7.119  -1.585
  318   HG21  VAL  40          HG21      VAL  40  -1.508   8.232  -1.331
  319   HG22  VAL  40          HG22      VAL  40  -1.657   8.330  -3.106
  320   HG23  VAL  40          HG23      VAL  40  -2.924   7.547  -2.134
  321    H    GLY  41           H        GLY  41  -3.490   6.655  -4.861
  322    HA2  GLY  41           HA2      GLY  41  -5.743   6.382  -5.157
  323    HA3  GLY  41           HA3      GLY  41  -5.658   4.881  -4.216
  324    H    ASP  42           H        ASP  42  -4.983   5.454  -1.762
  325    HA   ASP  42           HA       ASP  42  -6.106   7.948  -0.748
  326    HB2  ASP  42           HB2      ASP  42  -8.087   6.390  -1.021
  327    HB3  ASP  42           HB3      ASP  42  -7.300   5.284   0.117
  328    H    VAL  43           H        VAL  43  -5.727   8.063   1.667
  329    HA   VAL  43           HA       VAL  43  -3.716   6.172   2.709
  330    HB   VAL  43           HB       VAL  43  -2.261   7.598   1.520
  331   HG11  VAL  43          HG11      VAL  43  -3.719   9.441   0.944
  332   HG12  VAL  43          HG12      VAL  43  -3.834   9.946   2.638
  333   HG13  VAL  43          HG13      VAL  43  -2.288  10.080   1.765
  334   HG21  VAL  43          HG21      VAL  43  -2.357   8.641   4.381
  335   HG22  VAL  43          HG22      VAL  43  -1.592   7.122   3.869
  336   HG23  VAL  43          HG23      VAL  43  -0.960   8.669   3.289
  337    H    TYR  44           H        TYR  44  -4.277   5.709   4.718
  338    HA   TYR  44           HA       TYR  44  -5.212   7.899   6.471
  339    HB2  TYR  44           HB2      TYR  44  -7.170   6.729   5.324
  340    HB3  TYR  44           HB3      TYR  44  -6.773   5.323   6.315
  341    HD1  TYR  44           HD1      TYR  44  -7.066   9.049   6.736
  342    HD2  TYR  44           HD2      TYR  44  -8.022   5.167   8.310
  343    HE1  TYR  44           HE1      TYR  44  -8.257  10.123   8.627
  344    HE2  TYR  44           HE2      TYR  44  -9.253   6.227  10.191
  345    HH   TYR  44           HH       TYR  44  -9.457   9.798  10.536
  346    H    ILE  45           H        ILE  45  -5.413   7.147   8.743
  347    HA   ILE  45           HA       ILE  45  -3.898   4.716   9.473
  348    HB   ILE  45           HB       ILE  45  -3.251   7.504  10.491
  349   HG12  ILE  45          HG12      ILE  45  -1.590   5.324   9.138
  350   HG13  ILE  45          HG13      ILE  45  -2.122   6.840   8.386
  351   HG21  ILE  45          HG21      ILE  45  -1.740   6.347  12.083
  352   HG22  ILE  45          HG22      ILE  45  -3.411   5.867  12.372
  353   HG23  ILE  45          HG23      ILE  45  -2.319   4.773  11.498
  354   HD11  ILE  45          HD11      ILE  45  -0.787   8.096  10.090
  355   HD12  ILE  45          HD12      ILE  45  -0.164   6.541  10.705
  356   HD13  ILE  45          HD13      ILE  45   0.193   7.041   9.048
  357    HA   PRO  46           HA       PRO  46  -7.946   4.776  11.519
  358    HB2  PRO  46           HB2      PRO  46  -6.858   2.015  12.065
  359    HB3  PRO  46           HB3      PRO  46  -8.523   2.478  11.601
  360    HG2  PRO  46           HG2      PRO  46  -6.865   1.465   9.735
  361    HG3  PRO  46           HG3      PRO  46  -7.834   2.930   9.348
  362    HD2  PRO  46           HD2      PRO  46  -4.932   2.797  10.212
  363    HD3  PRO  46           HD3      PRO  46  -5.675   3.734   8.881
  364    H    ARG  47           H        ARG  47  -5.167   5.452  12.936
  365    HA   ARG  47           HA       ARG  47  -5.292   4.231  15.487
  366    HB2  ARG  47           HB2      ARG  47  -3.894   6.056  16.284
  367    HB3  ARG  47           HB3      ARG  47  -3.336   5.451  14.722
  368    HG2  ARG  47           HG2      ARG  47  -4.511   7.372  13.602
  369    HG3  ARG  47           HG3      ARG  47  -4.915   8.016  15.214
  370    HD2  ARG  47           HD2      ARG  47  -2.569   8.236  15.780
  371    HD3  ARG  47           HD3      ARG  47  -2.090   7.351  14.320
  372    HE   ARG  47           HE       ARG  47  -3.282   9.350  13.111
  373   HH11  ARG  47          HH11      ARG  47  -1.277   9.586  16.038
  374   HH12  ARG  47          HH12      ARG  47  -0.728  11.195  15.648
  375   HH21  ARG  47          HH21      ARG  47  -2.562  11.448  12.673
  376   HH22  ARG  47          HH22      ARG  47  -1.457  12.249  13.767
  377    H    ASP  48           H        ASP  48  -5.902   5.354  17.576
  378    HA   ASP  48           HA       ASP  48  -8.699   5.615  17.544
  379    HB2  ASP  48           HB2      ASP  48  -6.648   6.455  19.608
  380    HB3  ASP  48           HB3      ASP  48  -8.400   6.386  19.903
  381    H    ARG  49           H        ARG  49 -10.082   7.194  17.285
  382    HA   ARG  49           HA       ARG  49  -9.282   9.641  16.091
  383    HB2  ARG  49           HB2      ARG  49 -11.270   8.344  15.521
  384    HB3  ARG  49           HB3      ARG  49 -11.946   8.594  17.128
  385    HG2  ARG  49           HG2      ARG  49 -12.282  10.953  16.702
  386    HG3  ARG  49           HG3      ARG  49 -11.350  10.855  15.176
  387    HD2  ARG  49           HD2      ARG  49 -12.984   9.308  14.251
  388    HD3  ARG  49           HD3      ARG  49 -13.900   9.294  15.763
  389    HE   ARG  49           HE       ARG  49 -13.723  11.500  13.778
  390   HH11  ARG  49          HH11      ARG  49 -15.113  10.292  16.810
  391   HH12  ARG  49          HH12      ARG  49 -16.423  11.453  16.782
  392   HH21  ARG  49          HH21      ARG  49 -15.399  12.987  13.803
  393   HH22  ARG  49          HH22      ARG  49 -16.564  12.992  15.119
  394    H    TYR  50           H        TYR  50  -8.948   8.969  19.294
  395    HA   TYR  50           HA       TYR  50  -9.546  11.787  20.066
  396    HB2  TYR  50           HB2      TYR  50 -10.245   9.499  21.903
  397    HB3  TYR  50           HB3      TYR  50 -10.788  11.180  21.978
  398    HD1  TYR  50           HD2      TYR  50 -12.336  11.975  20.015
  399    HD2  TYR  50           HD1      TYR  50 -11.566   7.859  20.995
  400    HE1  TYR  50           HE2      TYR  50 -14.396  11.307  18.803
  401    HE2  TYR  50           HE1      TYR  50 -13.609   7.175  19.795
  402    HH   TYR  50           HH       TYR  50 -15.425   7.881  18.561
  403    H    THR  51           H        THR  51  -7.424   9.138  20.134
  404    HA   THR  51           HA       THR  51  -5.789  10.485  22.221
  405    HB   THR  51           HB       THR  51  -5.217   8.386  23.242
  406   HG21  THR  51          HG21      THR  51  -7.365   7.693  24.180
  407   HG22  THR  51          HG22      THR  51  -7.400   9.451  23.947
  408   HG23  THR  51          HG23      THR  51  -8.243   8.387  22.798
  409    H    LYS  52           H        LYS  52  -6.053   8.938  19.161
  410    HA   LYS  52           HA       LYS  52  -4.622   8.355  17.568
  411    HB2  LYS  52           HB2      LYS  52  -3.603  11.113  18.340
  412    HB3  LYS  52           HB3      LYS  52  -3.404  10.334  16.750
  413    HG2  LYS  52           HG2      LYS  52  -5.843  10.251  16.463
  414    HG3  LYS  52           HG3      LYS  52  -6.073  11.050  18.041
  415    HD2  LYS  52           HD2      LYS  52  -4.786  13.010  17.223
  416    HD3  LYS  52           HD3      LYS  52  -4.596  12.215  15.644
  417    HE2  LYS  52           HE2      LYS  52  -7.060  12.134  15.383
  418    HE3  LYS  52           HE3      LYS  52  -7.245  12.921  16.964
  419    HZ1  LYS  52           HZ1      LYS  52  -5.889  14.095  14.627
  420    HZ2  LYS  52           HZ2      LYS  52  -7.397  14.492  15.147
  421    HZ3  LYS  52           HZ3      LYS  52  -6.090  14.824  16.083
  422    H    GLU  53           H        GLU  53  -3.608   6.969  19.725
  423    HA   GLU  53           HA       GLU  53  -0.674   7.480  19.636
  424    HB2  GLU  53           HB2      GLU  53  -0.575   6.505  21.887
  425    HB3  GLU  53           HB3      GLU  53  -1.621   7.932  21.834
  426    HG2  GLU  53           HG2      GLU  53  -3.616   6.506  21.744
  427    HG3  GLU  53           HG3      GLU  53  -2.609   5.052  21.733
  428    H    SER  54           H        SER  54  -2.207   5.888  17.716
  429    HA   SER  54           HA       SER  54  -0.965   3.224  18.195
  430    HB2  SER  54           HB2      SER  54  -3.728   3.808  17.051
  431    HB3  SER  54           HB3      SER  54  -2.984   2.196  17.179
  432    HG   SER  54           HG       SER  54  -4.430   2.848  18.942
  433    H    ARG  55           H        ARG  55   0.142   5.448  16.782
  434    HA   ARG  55           HA       ARG  55  -0.240   5.296  13.959
  435    HB2  ARG  55           HB2      ARG  55   2.310   6.045  15.438
  436    HB3  ARG  55           HB3      ARG  55   1.800   6.556  13.811
  437    HG2  ARG  55           HG2      ARG  55  -0.057   7.850  14.786
  438    HG3  ARG  55           HG3      ARG  55   0.416   7.302  16.415
  439    HD2  ARG  55           HD2      ARG  55   1.369   9.453  16.175
  440    HD3  ARG  55           HD3      ARG  55   2.704   8.315  15.980
  441    HE   ARG  55           HE       ARG  55   1.425   9.998  13.887
  442   HH11  ARG  55          HH11      ARG  55   3.902   7.569  14.643
  443   HH12  ARG  55          HH12      ARG  55   4.764   7.853  13.145
  444   HH21  ARG  55          HH21      ARG  55   2.633  10.372  12.010
  445   HH22  ARG  55          HH22      ARG  55   4.074   9.438  11.693
  446    H    GLY  56           H        GLY  56   0.737   2.775  15.820
  447    HA2  GLY  56           HA2      GLY  56   3.149   1.833  14.695
  448    HA3  GLY  56           HA3      GLY  56   1.901   0.854  15.482
  449    H    PHE  57           H        PHE  57   0.140   2.209  13.084
  450    HA   PHE  57           HA       PHE  57   1.132   0.598  10.842
  451    HB2  PHE  57           HB2      PHE  57  -0.804  -0.777  10.672
  452    HB3  PHE  57           HB3      PHE  57  -0.171  -0.964  12.310
  453    HD1  PHE  57           HD2      PHE  57  -1.373   0.201  14.232
  454    HD2  PHE  57           HD1      PHE  57  -2.926   0.129  10.224
  455    HE1  PHE  57           HE2      PHE  57  -3.589   0.875  15.080
  456    HE2  PHE  57           HE1      PHE  57  -5.130   0.836  11.054
  457    HZ   PHE  57           HZ       PHE  57  -5.490   1.189  13.508
  458    H    ALA  58           H        ALA  58  -0.671   0.699   9.057
  459    HA   ALA  58           HA       ALA  58  -2.023   3.330   9.014
  460    HB1  ALA  58           HB1      ALA  58   0.025   2.422   6.941
  461    HB2  ALA  58           HB2      ALA  58  -0.947   3.904   6.871
  462    HB3  ALA  58           HB3      ALA  58   0.276   3.716   8.136
  463    H    PHE  59           H        PHE  59  -2.935   3.520   6.626
  464    HA   PHE  59           HA       PHE  59  -3.992   0.980   5.552
  465    HB2  PHE  59           HB2      PHE  59  -5.437   1.868   7.477
  466    HB3  PHE  59           HB3      PHE  59  -5.854   3.205   6.408
  467    HD1  PHE  59           HD2      PHE  59  -5.730   1.092   3.873
  468    HD2  PHE  59           HD1      PHE  59  -7.797   1.328   7.644
  469    HE1  PHE  59           HE2      PHE  59  -7.557  -0.310   2.970
  470    HE2  PHE  59           HE1      PHE  59  -9.606  -0.075   6.737
  471    HZ   PHE  59           HZ       PHE  59  -9.481  -0.915   4.404
  472    H    VAL  60           H        VAL  60  -2.120   2.325   4.207
  473    HA   VAL  60           HA       VAL  60  -3.299   4.314   2.422
  474    HB   VAL  60           HB       VAL  60  -1.034   2.417   1.707
  475   HG11  VAL  60          HG11      VAL  60  -1.689   5.272   0.900
  476   HG12  VAL  60          HG12      VAL  60  -0.286   4.325   0.351
  477   HG13  VAL  60          HG13      VAL  60  -1.920   3.817  -0.101
  478   HG21  VAL  60          HG21      VAL  60   0.517   4.113   2.619
  479   HG22  VAL  60          HG22      VAL  60  -0.851   5.035   3.271
  480   HG23  VAL  60          HG23      VAL  60  -0.484   3.411   3.907
  481    H    ARG  61           H        ARG  61  -4.276   3.841   0.285
  482    HA   ARG  61           HA       ARG  61  -4.938   0.977  -0.147
  483    HB2  ARG  61           HB2      ARG  61  -6.630   1.688   1.380
  484    HB3  ARG  61           HB3      ARG  61  -6.969   3.148   0.422
  485    HG2  ARG  61           HG2      ARG  61  -7.816   1.798  -1.426
  486    HG3  ARG  61           HG3      ARG  61  -7.282   0.306  -0.621
  487    HD2  ARG  61           HD2      ARG  61  -9.689   0.601  -0.358
  488    HD3  ARG  61           HD3      ARG  61  -8.893   0.709   1.213
  489    HE   ARG  61           HE       ARG  61 -10.243   2.866  -0.273
  490   HH11  ARG  61          HH11      ARG  61  -8.106   2.054   2.438
  491   HH12  ARG  61          HH12      ARG  61  -8.596   3.459   3.360
  492   HH21  ARG  61          HH21      ARG  61 -10.778   4.728   0.961
  493   HH22  ARG  61          HH22      ARG  61 -10.004   4.968   2.518
  494    H    PHE  62           H        PHE  62  -4.182   0.736  -2.143
  495    HA   PHE  62           HA       PHE  62  -4.446   2.780  -4.208
  496    HB2  PHE  62           HB2      PHE  62  -3.740  -0.175  -4.349
  497    HB3  PHE  62           HB3      PHE  62  -3.683   0.936  -5.711
  498    HD1  PHE  62           HD1      PHE  62  -2.206   0.387  -2.305
  499    HD2  PHE  62           HD2      PHE  62  -1.774   2.225  -6.176
  500    HE1  PHE  62           HE1      PHE  62   0.126   0.999  -1.764
  501    HE2  PHE  62           HE2      PHE  62   0.560   2.812  -5.639
  502    HZ   PHE  62           HZ       PHE  62   1.527   2.189  -3.455
  503    H    HIS  63           H        HIS  63  -5.634   2.369  -6.267
  504    HA   HIS  63           HA       HIS  63  -8.181   0.876  -5.827
  505    HB2  HIS  63           HB2      HIS  63  -7.872   3.575  -7.179
  506    HB3  HIS  63           HB3      HIS  63  -9.374   2.670  -6.968
  507    HD2  HIS  63           HD2      HIS  63  -7.662   5.505  -5.591
  508    HE1  HIS  63           HE1      HIS  63  -9.735   3.977  -2.201
  509    HE2  HIS  63           HE2      HIS  63  -8.488   5.995  -3.146
  510    H    ASP  64           H        ASP  64  -5.434   0.809  -7.572
  511    HA   ASP  64           HA       ASP  64  -6.862  -0.157 -10.015
  512    HB2  ASP  64           HB2      ASP  64  -5.797   2.086 -10.333
  513    HB3  ASP  64           HB3      ASP  64  -4.227   1.348  -9.947
  514    H    LYS  65           H        LYS  65  -6.340  -2.169 -10.552
  515    HA   LYS  65           HA       LYS  65  -4.952  -3.728  -8.626
  516    HB2  LYS  65           HB2      LYS  65  -5.430  -5.614 -10.114
  517    HB3  LYS  65           HB3      LYS  65  -6.851  -4.580  -9.919
  518    HG2  LYS  65           HG2      LYS  65  -6.325  -3.471 -12.092
  519    HG3  LYS  65           HG3      LYS  65  -4.942  -4.560 -12.300
  520    HD2  LYS  65           HD2      LYS  65  -7.852  -5.422 -12.063
  521    HD3  LYS  65           HD3      LYS  65  -6.908  -5.341 -13.565
  522    HE2  LYS  65           HE2      LYS  65  -5.307  -6.998 -12.632
  523    HE3  LYS  65           HE3      LYS  65  -6.289  -7.108 -11.159
  524    HZ1  LYS  65           HZ1      LYS  65  -7.181  -7.805 -13.878
  525    HZ2  LYS  65           HZ2      LYS  65  -6.807  -8.871 -12.682
  526    HZ3  LYS  65           HZ3      LYS  65  -8.111  -7.886 -12.521
  527    H    ARG  66           H        ARG  66  -3.824  -2.255 -11.657
  528    HA   ARG  66           HA       ARG  66  -1.616  -4.097 -11.923
  529    HB2  ARG  66           HB2      ARG  66  -0.878  -2.671 -13.697
  530    HB3  ARG  66           HB3      ARG  66  -2.640  -2.731 -13.767
  531    HG2  ARG  66           HG2      ARG  66  -2.552  -0.528 -12.350
  532    HG3  ARG  66           HG3      ARG  66  -0.846  -0.473 -12.842
  533    HD2  ARG  66           HD2      ARG  66  -2.043   0.824 -14.437
  534    HD3  ARG  66           HD3      ARG  66  -1.658  -0.709 -15.242
  535    HE   ARG  66           HE       ARG  66  -4.267  -0.532 -13.868
  536   HH11  ARG  66          HH11      ARG  66  -2.515  -0.311 -16.932
  537   HH12  ARG  66          HH12      ARG  66  -3.957  -0.533 -17.902
  538   HH21  ARG  66          HH21      ARG  66  -6.119  -0.835 -15.156
  539   HH22  ARG  66          HH22      ARG  66  -5.986  -0.829 -16.898
  540    H    ASP  67           H        ASP  67  -1.978  -0.831 -10.494
  541    HA   ASP  67           HA       ASP  67   0.815  -0.668  -9.718
  542    HB2  ASP  67           HB2      ASP  67  -1.626   0.872  -8.753
  543    HB3  ASP  67           HB3      ASP  67   0.061   1.312  -8.464
  544    H    ALA  68           H        ALA  68  -2.180  -1.946  -8.338
  545    HA   ALA  68           HA       ALA  68  -1.214  -2.027  -5.631
  546    HB1  ALA  68           HB1      ALA  68  -3.489  -3.490  -7.039
  547    HB2  ALA  68           HB2      ALA  68  -3.244  -3.437  -5.284
  548    HB3  ALA  68           HB3      ALA  68  -3.610  -1.939  -6.178
  549    H    GLU  69           H        GLU  69  -1.336  -4.411  -8.356
  550    HA   GLU  69           HA       GLU  69  -0.437  -6.585  -6.690
  551    HB2  GLU  69           HB2      GLU  69  -0.434  -6.160  -9.699
  552    HB3  GLU  69           HB3      GLU  69   0.152  -7.644  -8.909
  553    HG2  GLU  69           HG2      GLU  69  -2.037  -7.958  -7.823
  554    HG3  GLU  69           HG3      GLU  69  -2.654  -6.503  -8.615
  555    H    ASP  70           H        ASP  70   1.256  -4.025  -8.550
  556    HA   ASP  70           HA       ASP  70   3.862  -5.269  -8.155
  557    HB2  ASP  70           HB2      ASP  70   2.955  -2.454  -8.863
  558    HB3  ASP  70           HB3      ASP  70   4.648  -2.919  -8.697
  559    H    ALA  71           H        ALA  71   1.897  -2.810  -6.407
  560    HA   ALA  71           HA       ALA  71   3.938  -1.900  -4.692
  561    HB1  ALA  71           HB1      ALA  71   0.945  -2.124  -4.207
  562    HB2  ALA  71           HB2      ALA  71   2.075  -1.126  -3.262
  563    HB3  ALA  71           HB3      ALA  71   1.791  -0.753  -4.972
  564    H    MET  72           H        MET  72   1.867  -4.833  -4.454
  565    HA   MET  72           HA       MET  72   2.963  -5.306  -1.755
  566    HB2  MET  72           HB2      MET  72   1.434  -7.137  -1.599
  567    HB3  MET  72           HB3      MET  72   0.558  -5.808  -2.406
  568    HG2  MET  72           HG2      MET  72   1.331  -6.834  -4.588
  569    HG3  MET  72           HG3      MET  72   1.827  -8.260  -3.664
  570    HE1  MET  72           HE1      MET  72   0.025  -8.447  -6.136
  571    HE2  MET  72           HE2      MET  72   0.410  -9.870  -5.157
  572    HE3  MET  72           HE3      MET  72  -1.280  -9.545  -5.616
  573    H    ASP  73           H        ASP  73   3.520  -6.328  -5.083
  574    HA   ASP  73           HA       ASP  73   5.122  -8.632  -4.392
  575    HB2  ASP  73           HB2      ASP  73   3.958  -8.321  -6.569
  576    HB3  ASP  73           HB3      ASP  73   5.027  -6.953  -6.931
  577    H    ALA  74           H        ALA  74   5.647  -5.326  -3.962
  578    HA   ALA  74           HA       ALA  74   8.602  -5.756  -3.915
  579    HB1  ALA  74           HB1      ALA  74   7.027  -3.401  -4.965
  580    HB2  ALA  74           HB2      ALA  74   8.810  -3.430  -4.792
  581    HB3  ALA  74           HB3      ALA  74   8.001  -4.530  -5.939
  582    H    MET  75           H        MET  75   5.832  -4.795  -2.140
  583    HA   MET  75           HA       MET  75   7.674  -3.574  -0.114
  584    HB2  MET  75           HB2      MET  75   4.732  -2.988  -0.521
  585    HB3  MET  75           HB3      MET  75   5.720  -2.370   0.789
  586    HG2  MET  75           HG2      MET  75   6.338  -1.827  -2.131
  587    HG3  MET  75           HG3      MET  75   5.322  -0.792  -1.132
  588    HE1  MET  75           HE1      MET  75   7.832   1.779  -0.689
  589    HE2  MET  75           HE2      MET  75   6.471   1.169  -1.661
  590    HE3  MET  75           HE3      MET  75   6.301   1.313   0.096
  591    H    ASP  76           H        ASP  76   5.397  -6.229  -0.679
  592    HA   ASP  76           HA       ASP  76   4.768  -6.486   2.104
  593    HB2  ASP  76           HB2      ASP  76   3.346  -7.407   0.282
  594    HB3  ASP  76           HB3      ASP  76   4.616  -8.592  -0.085
  595    H    GLY  77           H        GLY  77   7.157  -6.115   2.631
  596    HA2  GLY  77           HA2      GLY  77   8.389  -7.939   4.081
  597    HA3  GLY  77           HA3      GLY  77   8.837  -8.549   2.475
  598    H    ALA  78           H        ALA  78   8.556  -5.256   2.084
  599    HA   ALA  78           HA       ALA  78  11.417  -4.917   1.887
  600    HB1  ALA  78           HB1      ALA  78   9.077  -3.010   1.520
  601    HB2  ALA  78           HB2      ALA  78  10.768  -2.662   1.075
  602    HB3  ALA  78           HB3      ALA  78   9.888  -3.967   0.258
  603    H    VAL  79           H        VAL  79  12.011  -2.415   2.631
  604    HA   VAL  79           HA       VAL  79  11.555  -2.258   5.581
  605    HB   VAL  79           HB       VAL  79  14.192  -2.230   4.063
  606   HG11  VAL  79          HG11      VAL  79  15.257  -1.873   6.261
  607   HG12  VAL  79          HG12      VAL  79  14.261  -0.487   5.780
  608   HG13  VAL  79          HG13      VAL  79  13.666  -1.636   7.002
  609   HG21  VAL  79          HG21      VAL  79  14.717  -4.122   5.613
  610   HG22  VAL  79          HG22      VAL  79  13.053  -4.039   6.244
  611   HG23  VAL  79          HG23      VAL  79  13.349  -4.489   4.552
  612    H    LEU  80           H        LEU  80  11.427  -0.331   6.405
  613    HA   LEU  80           HA       LEU  80  12.375   2.078   5.011
  614    HB2  LEU  80           HB2      LEU  80  10.067   1.920   4.234
  615    HB3  LEU  80           HB3      LEU  80   9.497   1.574   5.874
  616    HG   LEU  80           HG       LEU  80  10.043   3.824   6.614
  617   HD11  LEU  80          HD11      LEU  80  10.820   5.536   4.983
  618   HD12  LEU  80          HD12      LEU  80  12.038   4.269   5.176
  619   HD13  LEU  80          HD13      LEU  80  10.994   4.276   3.738
  620   HD21  LEU  80          HD21      LEU  80   8.576   3.839   3.949
  621   HD22  LEU  80          HD22      LEU  80   7.861   3.414   5.519
  622   HD23  LEU  80          HD23      LEU  80   8.440   5.068   5.224
  623    H    ASP  81           H        ASP  81  13.127   3.521   6.534
  624    HA   ASP  81           HA       ASP  81  13.978   4.236   8.476
  625    HB2  ASP  81           HB2      ASP  81  11.555   4.793   8.743
  626    HB3  ASP  81           HB3      ASP  81  11.348   3.301   9.677
  627    H    GLY  82           H        GLY  82  13.759   0.987   7.943
  628    HA2  GLY  82           HA2      GLY  82  15.486  -0.401   8.797
  629    HA3  GLY  82           HA3      GLY  82  15.429   0.464  10.347
  630    H    ARG  83           H        ARG  83  12.296  -0.066   9.184
  631    HA   ARG  83           HA       ARG  83  11.887  -2.506  10.888
  632    HB2  ARG  83           HB2      ARG  83   9.660  -1.767  11.174
  633    HB3  ARG  83           HB3      ARG  83  10.757  -0.474  11.680
  634    HG2  ARG  83           HG2      ARG  83  10.224   0.883   9.859
  635    HG3  ARG  83           HG3      ARG  83   9.828  -0.488   8.813
  636    HD2  ARG  83           HD2      ARG  83   7.874  -0.944  10.426
  637    HD3  ARG  83           HD3      ARG  83   8.073   0.730  10.949
  638    HE   ARG  83           HE       ARG  83   7.076  -0.293   8.443
  639   HH11  ARG  83          HH11      ARG  83   8.932   2.420   9.710
  640   HH12  ARG  83          HH12      ARG  83   8.270   3.594   8.605
  641   HH21  ARG  83          HH21      ARG  83   6.103   1.281   7.066
  642   HH22  ARG  83          HH22      ARG  83   6.679   2.934   7.058
  643    H    GLU  84           H        GLU  84   9.314  -2.948   9.825
  644    HA   GLU  84           HA       GLU  84  10.099  -4.157   7.194
  645    HB2  GLU  84           HB2      GLU  84   8.244  -5.142   9.404
  646    HB3  GLU  84           HB3      GLU  84   8.341  -5.879   7.796
  647    HG2  GLU  84           HG2      GLU  84  10.785  -6.276   8.166
  648    HG3  GLU  84           HG3      GLU  84  10.627  -5.579   9.786
  649    H    LEU  85           H        LEU  85   8.082  -4.615   5.798
  650    HA   LEU  85           HA       LEU  85   5.984  -2.539   6.198
  651    HB2  LEU  85           HB2      LEU  85   7.545  -3.194   3.668
  652    HB3  LEU  85           HB3      LEU  85   6.074  -2.201   3.702
  653    HG   LEU  85           HG       LEU  85   8.685  -1.552   5.151
  654   HD11  LEU  85          HD11      LEU  85   8.817   0.283   3.514
  655   HD12  LEU  85          HD12      LEU  85   8.846  -1.293   2.709
  656   HD13  LEU  85          HD13      LEU  85   7.350  -0.319   2.709
  657   HD21  LEU  85          HD21      LEU  85   7.586   0.657   5.495
  658   HD22  LEU  85          HD22      LEU  85   6.068  -0.006   4.871
  659   HD23  LEU  85          HD23      LEU  85   6.774  -0.648   6.379
  660    H    ARG  86           H        ARG  86   3.959  -3.060   5.344
  661    HA   ARG  86           HA       ARG  86   3.563  -5.825   4.349
  662    HB2  ARG  86           HB2      ARG  86   2.369  -4.546   6.830
  663    HB3  ARG  86           HB3      ARG  86   1.538  -5.849   5.978
  664    HG2  ARG  86           HG2      ARG  86   4.337  -6.015   7.187
  665    HG3  ARG  86           HG3      ARG  86   2.854  -6.717   7.866
  666    HD2  ARG  86           HD2      ARG  86   2.592  -8.110   5.824
  667    HD3  ARG  86           HD3      ARG  86   4.119  -7.452   5.194
  668    HE   ARG  86           HE       ARG  86   4.447  -8.588   7.825
  669   HH11  ARG  86          HH11      ARG  86   4.217  -9.372   4.379
  670   HH12  ARG  86          HH12      ARG  86   5.118 -10.856   4.535
  671   HH21  ARG  86          HH21      ARG  86   5.635 -10.530   7.997
  672   HH22  ARG  86          HH22      ARG  86   5.933 -11.505   6.574
  673    H    VAL  87           H        VAL  87   1.811  -6.060   3.042
  674    HA   VAL  87           HA       VAL  87  -0.133  -3.952   2.638
  675    HB   VAL  87           HB       VAL  87   1.618  -2.823   1.504
  676   HG11  VAL  87          HG11      VAL  87   3.291  -4.564   1.314
  677   HG12  VAL  87          HG12      VAL  87   2.278  -5.476   0.177
  678   HG13  VAL  87          HG13      VAL  87   2.953  -3.899  -0.299
  679   HG21  VAL  87          HG21      VAL  87  -0.529  -2.988   0.259
  680   HG22  VAL  87          HG22      VAL  87   0.877  -2.808  -0.816
  681   HG23  VAL  87          HG23      VAL  87   0.114  -4.402  -0.618
  682    H    GLN  88           H        GLN  88  -1.920  -4.843   1.782
  683    HA   GLN  88           HA       GLN  88  -1.887  -7.096  -0.034
  684    HB2  GLN  88           HB2      GLN  88  -3.175  -8.595   1.485
  685    HB3  GLN  88           HB3      GLN  88  -1.498  -8.388   1.992
  686    HG2  GLN  88           HG2      GLN  88  -3.774  -6.730   3.150
  687    HG3  GLN  88           HG3      GLN  88  -3.316  -8.303   3.809
  688   HE21  GLN  88          HE22      GLN  88  -3.030  -5.180   4.538
  689   HE22  GLN  88          HE21      GLN  88  -1.427  -5.146   5.237
  690    H    MET  89           H        MET  89  -4.290  -7.837  -0.368
  691    HA   MET  89           HA       MET  89  -5.792  -5.498  -1.012
  692    HB2  MET  89           HB2      MET  89  -6.665  -8.405  -0.835
  693    HB3  MET  89           HB3      MET  89  -7.540  -7.096  -1.671
  694    HG2  MET  89           HG2      MET  89  -4.733  -8.062  -2.324
  695    HG3  MET  89           HG3      MET  89  -6.191  -8.438  -3.244
  696    HE1  MET  89           HE1      MET  89  -3.263  -7.057  -4.080
  697    HE2  MET  89           HE2      MET  89  -4.442  -7.614  -5.298
  698    HE3  MET  89           HE3      MET  89  -3.804  -5.956  -5.361
  699    H    ALA  90           H        ALA  90  -8.064  -5.081  -0.283
  700    HA   ALA  90           HA       ALA  90  -8.189  -5.360   2.691
  701    HB1  ALA  90           HB1      ALA  90  -7.713  -3.059   1.916
  702    HB2  ALA  90           HB2      ALA  90  -9.221  -3.080   0.960
  703    HB3  ALA  90           HB3      ALA  90  -9.286  -3.159   2.726
  704    H    ARG  91           H        ARG  91 -10.547  -4.676   3.396
  705    HA   ARG  91           HA       ARG  91 -12.584  -6.176   1.827
  706    HB2  ARG  91           HB2      ARG  91 -13.258  -7.297   3.988
  707    HB3  ARG  91           HB3      ARG  91 -11.696  -7.828   3.339
  708    HG2  ARG  91           HG2      ARG  91 -10.483  -6.446   4.911
  709    HG3  ARG  91           HG3      ARG  91 -11.986  -5.679   5.472
  710    HD2  ARG  91           HD2      ARG  91 -11.202  -7.356   7.071
  711    HD3  ARG  91           HD3      ARG  91 -12.757  -7.848   6.362
  712    HE   ARG  91           HE       ARG  91 -10.496  -8.933   4.911
  713   HH11  ARG  91          HH11      ARG  91 -12.504  -9.363   7.792
  714   HH12  ARG  91          HH12      ARG  91 -12.197 -11.081   7.888
  715   HH21  ARG  91          HH21      ARG  91 -10.114 -11.180   5.067
  716   HH22  ARG  91          HH22      ARG  91 -10.850 -12.103   6.357
  717    H    TYR  92           H        TYR  92 -14.759  -5.980   3.242
  718    HA   TYR  92           HA       TYR  92 -16.469  -4.500   3.575
  719    HB2  TYR  92           HB2      TYR  92 -14.531  -2.955   5.304
  720    HB3  TYR  92           HB3      TYR  92 -16.275  -3.125   5.498
  721    HD1  TYR  92           HD1      TYR  92 -16.901  -5.889   5.563
  722    HD2  TYR  92           HD2      TYR  92 -13.332  -3.939   6.969
  723    HE1  TYR  92           HE1      TYR  92 -16.485  -7.775   7.118
  724    HE2  TYR  92           HE2      TYR  92 -12.912  -5.807   8.529
  725    HH   TYR  92           HH       TYR  92 -15.111  -8.635   8.743
  726    H    GLY  93           H        GLY  93 -16.300  -1.656   4.195
  727    HA2  GLY  93           HA2      GLY  93 -14.851  -0.472   1.883
  728    HA3  GLY  93           HA3      GLY  93 -16.594  -0.157   2.074
  729    H    ARG  94           H        ARG  94 -16.896   0.109   4.797
  730    HA   ARG  94           HA       ARG  94 -14.855   1.739   6.031
  731    HB2  ARG  94           HB2      ARG  94 -17.572   2.921   5.273
  732    HB3  ARG  94           HB3      ARG  94 -16.473   3.625   6.469
  733    HG2  ARG  94           HG2      ARG  94 -14.696   3.749   4.672
  734    HG3  ARG  94           HG3      ARG  94 -15.952   3.238   3.512
  735    HD2  ARG  94           HD2      ARG  94 -15.762   5.604   3.389
  736    HD3  ARG  94           HD3      ARG  94 -17.322   5.195   4.165
  737    HE   ARG  94           HE       ARG  94 -15.322   5.632   6.149
  738   HH11  ARG  94          HH11      ARG  94 -17.257   7.408   3.789
  739   HH12  ARG  94          HH12      ARG  94 -17.211   8.904   4.696
  740   HH21  ARG  94          HH21      ARG  94 -15.263   7.587   7.301
  741   HH22  ARG  94          HH22      ARG  94 -16.094   9.000   6.696
  742    HA   PRO  95           HA       PRO  95 -16.507  -0.204   9.623
  743    HB2  PRO  95           HB2      PRO  95 -16.463   2.576  10.780
  744    HB3  PRO  95           HB3      PRO  95 -15.804   1.059  11.475
  745    HG2  PRO  95           HG2      PRO  95 -14.162   2.901  10.284
  746    HG3  PRO  95           HG3      PRO  95 -13.901   1.137  10.037
  747    HD2  PRO  95           HD2      PRO  95 -15.048   3.079   8.125
  748    HD3  PRO  95           HD3      PRO  95 -14.086   1.605   7.863
  749    HA   PRO  96           HA       PRO  96 -20.857   0.790   9.254
  750    HB2  PRO  96           HB2      PRO  96 -21.913  -1.001  11.016
  751    HB3  PRO  96           HB3      PRO  96 -21.142  -1.517   9.483
  752    HG2  PRO  96           HG2      PRO  96 -19.902  -1.435  12.248
  753    HG3  PRO  96           HG3      PRO  96 -19.870  -2.780  11.062
  754    HD2  PRO  96           HD2      PRO  96 -17.807  -0.978  11.313
  755    HD3  PRO  96           HD3      PRO  96 -18.258  -1.681   9.730
  756    H    ASP  97           H        ASP  97 -19.194   0.709  12.400
  757    HA   ASP  97           HA       ASP  97 -20.330   3.213  13.241
  758    HB2  ASP  97           HB2      ASP  97 -22.284   1.806  13.736
  759    HB3  ASP  97           HB3      ASP  97 -21.269   0.660  14.625
  760    H    SER  98           H        SER  98 -18.443   4.035  14.025
  761    HA   SER  98           HA       SER  98 -17.068   2.581  16.198
  762    HB2  SER  98           HB2      SER  98 -15.628   3.468  13.664
  763    HB3  SER  98           HB3      SER  98 -14.858   2.830  15.132
  764    HG   SER  98           HG       SER  98 -16.122   0.912  14.793
  765    H    HIS  99           H        HIS  99 -18.421   5.407  15.128
  766    HA   HIS  99           HA       HIS  99 -16.711   7.028  16.900
  767    HB2  HIS  99           HB2      HIS  99 -16.290   8.709  15.220
  768    HB3  HIS  99           HB3      HIS  99 -15.699   7.160  14.613
  769    HD2  HIS  99           HD2      HIS  99 -17.201   5.944  12.640
  770    HE1  HIS  99           HE1      HIS  99 -19.404   9.424  11.583
  771    HE2  HIS  99           HE2      HIS  99 -18.802   7.055  10.890
  772    H    HIS 100           H        HIS 100 -17.661   9.256  17.181
  773    HA   HIS 100           HA       HIS 100 -20.561   9.479  16.649
  774    HB2  HIS 100           HB2      HIS 100 -19.358   9.534  19.441
  775    HB3  HIS 100           HB3      HIS 100 -21.032   9.908  19.030
  776    HD2  HIS 100           HD2      HIS 100 -22.558   7.780  18.066
  777    HE1  HIS 100           HE1      HIS 100 -20.081   4.768  19.756
  778    HE2  HIS 100           HE2      HIS 100 -22.342   5.252  18.682
  779    H    SER 101           H        SER 101 -21.370  11.645  17.533
  780    HA   SER 101           HA       SER 101 -19.331  13.730  17.831
  781    HB2  SER 101           HB2      SER 101 -19.510  13.457  15.375
  782    HB3  SER 101           HB3      SER 101 -21.269  13.710  15.484
  783    HG   SER 101           HG       SER 101 -20.131  15.647  14.990
  784    H5'    U 102           H5'        U 102  -5.042  -7.154  10.548
  785   H5''    U 102          H5''        U 102  -3.270  -7.127  10.744
  786    H4'    U 102           H4'        U 102  -5.175  -5.988  12.834
  787    H3'    U 102           H3'        U 102  -4.854  -4.912  10.247
  788    H2'    U 102           H2'        U 102  -2.460  -4.590  10.577
  789   HO2'    U 102          HO2'        U 102  -3.778  -2.260  11.548
  790    H1'    U 102           H1'        U 102  -3.311  -3.756  13.362
  791    H3     U 102           H3         U 102   1.660  -5.511  12.479
  792    H5     U 102           H5         U 102   0.662  -1.969  14.508
  793    H6     U 102           H6         U 102  -1.691  -2.414  13.953
  794   HO5'    U 102          HO5'        U 102  -4.234  -9.083  11.514
  795    H5'    C 103           H5'        C 103  -6.711  -1.471  10.188
  796   H5''    C 103          H5''        C 103  -7.781  -1.468  11.599
  797    H4'    C 103           H4'        C 103  -8.929  -0.330   9.828
  798    H3'    C 103           H3'        C 103 -10.017  -2.467  11.219
  799    H2'    C 103           H2'        C 103  -9.599  -4.104   9.542
  800   HO2'    C 103          HO2'        C 103 -12.102  -2.892   8.971
  801    H1'    C 103           H1'        C 103 -10.404  -2.153   7.395
  802    H41    C 103           H41        C 103  -7.446  -6.528   3.780
  803    H42    C 103           H42        C 103  -6.550  -7.128   5.158
  804    H5     C 103           H5         C 103  -6.732  -6.158   7.394
  805    H6     C 103           H6         C 103  -7.813  -4.477   8.718
  806    H5'    C 104           H5'        C 104 -10.508   2.621  11.399
  807   H5''    C 104          H5''        C 104 -12.258   2.786  11.233
  808    H4'    C 104           H4'        C 104 -10.716   4.575  10.139
  809    H3'    C 104           H3'        C 104 -12.977   3.283   8.591
  810    H2'    C 104           H2'        C 104 -12.449   4.552   6.791
  811   HO2'    C 104          HO2'        C 104 -12.203   6.603   7.889
  812    H1'    C 104           H1'        C 104  -9.718   4.542   7.107
  813    H41    C 104           H41        C 104 -11.390   0.430   2.543
  814    H42    C 104           H42        C 104 -12.179  -0.634   3.702
  815    H5     C 104           H5         C 104 -12.348  -0.081   6.083
  816    H6     C 104           H6         C 104 -11.857   1.626   7.751
  817    H5'    A 105           H5'        A 105 -16.372   7.309  10.068
  818   H5''    A 105          H5''        A 105 -15.648   8.816   9.501
  819    H4'    A 105           H4'        A 105 -15.377   8.706  11.884
  820    H3'    A 105           H3'        A 105 -13.102   8.855  10.067
  821    H2'    A 105           H2'        A 105 -12.094   7.021  11.084
  822   HO2'    A 105          HO2'        A 105 -10.758   8.688  11.826
  823    H1'    A 105           H1'        A 105 -13.683   7.763  13.584
  824    H8     A 105           H8         A 105 -12.102   4.794  11.696
  825    H61    A 105           H61        A 105 -10.999   2.531  17.374
  826    H62    A 105           H62        A 105 -10.814   2.223  15.657
  827    H2     A 105           H2         A 105 -13.142   6.384  17.795
  828    H5'    G 106           H5'        G 106 -11.035  11.473  11.066
  829   H5''    G 106          H5''        G 106 -11.788  13.060  11.254
  830    H4'    G 106           H4'        G 106  -9.938  13.425   9.872
  831    H3'    G 106           H3'        G 106 -12.518  13.933   8.899
  832    H2'    G 106           H2'        G 106 -12.706  12.397   7.250
  833   HO2'    G 106          HO2'        G 106 -10.802  14.195   6.165
  834    H1'    G 106           H1'        G 106  -9.830  12.062   6.626
  835    H8     G 106           H8         G 106 -12.972  10.384   8.153
  836    H1     G 106           H1         G 106  -9.787   6.946   3.764
  837    H21    G 106           H21        G 106  -7.975   8.014   3.164
  838    H22    G 106           H22        G 106  -7.509   9.554   3.873
  839    H5'    U 107           H5'        U 107 -11.505  16.523   6.092
  840   H5''    U 107          H5''        U 107 -11.658  18.194   6.680
  841    H4'    U 107           H4'        U 107 -14.297  17.446   6.572
  842    H3'    U 107           H3'        U 107 -13.379  15.267   5.297
  843   HO3'    U 107          HO3'        U 107 -15.579  16.089   5.248
  844    H2'    U 107           H2'        U 107 -11.739  16.347   3.996
  845   HO2'    U 107          HO2'        U 107 -14.080  16.383   2.383
  846    H1'    U 107           H1'        U 107 -13.510  18.514   3.003
  847    H3     U 107           H3         U 107  -9.534  21.226   4.541
  848    H5     U 107           H5         U 107  -8.779  18.258   1.667
  849    H6     U 107           H6         U 107 -10.983  17.367   2.086
  Start of MODEL   17
    1    H    MET   1           H1       MET   1  -3.972  22.226   4.630
    2    HA   MET   1           HA       MET   1  -5.939  20.207   3.822
    3    HB2  MET   1           HB2      MET   1  -6.153  22.272   2.528
    4    HB3  MET   1           HB3      MET   1  -4.413  22.257   2.177
    5    HG2  MET   1           HG2      MET   1  -5.728  21.401   0.280
    6    HG3  MET   1           HG3      MET   1  -4.644  20.167   0.930
    7    HE1  MET   1           HE1      MET   1  -5.882  18.283  -0.400
    8    HE2  MET   1           HE2      MET   1  -7.647  18.047  -0.369
    9    HE3  MET   1           HE3      MET   1  -6.960  19.516  -1.094
   10    H    SER   2           H        SER   2  -4.953  18.313   4.242
   11    HA   SER   2           HA       SER   2  -2.477  17.743   2.735
   12    HB2  SER   2           HB2      SER   2  -2.768  17.153   5.710
   13    HB3  SER   2           HB3      SER   2  -1.413  16.662   4.679
   14    HG   SER   2           HG       SER   2  -0.996  18.898   4.333
   15    H    TYR   3           H        TYR   3  -5.393  16.755   4.440
   16    HA   TYR   3           HA       TYR   3  -5.503  14.295   2.821
   17    HB2  TYR   3           HB2      TYR   3  -5.981  14.261   5.828
   18    HB3  TYR   3           HB3      TYR   3  -6.070  12.901   4.730
   19    HD1  TYR   3           HD1      TYR   3  -3.967  12.047   3.617
   20    HD2  TYR   3           HD2      TYR   3  -3.881  15.021   6.722
   21    HE1  TYR   3           HE1      TYR   3  -1.534  11.686   3.875
   22    HE2  TYR   3           HE2      TYR   3  -1.425  14.714   6.952
   23    HH   TYR   3           HH       TYR   3   0.390  12.405   4.900
   24    H    GLY   4           H        GLY   4  -7.800  13.278   3.204
   25    HA2  GLY   4           HA2      GLY   4  -9.876  15.053   4.114
   26    HA3  GLY   4           HA3      GLY   4  -9.705  15.091   2.345
   27    H    ARG   5           H        ARG   5 -12.073  14.268   3.233
   28    HA   ARG   5           HA       ARG   5 -12.497  11.658   4.000
   29    HB2  ARG   5           HB2      ARG   5 -14.734  11.977   3.077
   30    HB3  ARG   5           HB3      ARG   5 -14.169  13.468   3.863
   31    HG2  ARG   5           HG2      ARG   5 -13.496  14.346   1.606
   32    HG3  ARG   5           HG3      ARG   5 -14.156  12.877   0.859
   33    HD2  ARG   5           HD2      ARG   5 -15.733  14.844   2.545
   34    HD3  ARG   5           HD3      ARG   5 -15.702  14.822   0.772
   35    HE   ARG   5           HE       ARG   5 -16.436  12.252   1.415
   36   HH11  ARG   5          HH11      ARG   5 -17.674  15.446   2.260
   37   HH12  ARG   5          HH12      ARG   5 -19.322  14.896   2.447
   38   HH21  ARG   5          HH21      ARG   5 -18.594  11.546   1.661
   39   HH22  ARG   5          HH22      ARG   5 -19.837  12.686   2.119
   40    HA   PRO   6           HA       PRO   6 -11.508   9.093   0.527
   41    HB2  PRO   6           HB2      PRO   6 -13.165   6.971   1.001
   42    HB3  PRO   6           HB3      PRO   6 -11.770   7.355   2.056
   43    HG2  PRO   6           HG2      PRO   6 -14.677   8.107   2.466
   44    HG3  PRO   6           HG3      PRO   6 -13.557   7.358   3.652
   45    HD2  PRO   6           HD2      PRO   6 -14.031  10.059   3.590
   46    HD3  PRO   6           HD3      PRO   6 -12.408   9.420   3.972
   47    HA   PRO   7           HA       PRO   7 -14.565   9.989  -2.546
   48    HB2  PRO   7           HB2      PRO   7 -14.008   8.146  -4.490
   49    HB3  PRO   7           HB3      PRO   7 -12.875   9.466  -4.060
   50    HG2  PRO   7           HG2      PRO   7 -12.846   6.600  -3.092
   51    HG3  PRO   7           HG3      PRO   7 -11.477   7.557  -3.758
   52    HD2  PRO   7           HD2      PRO   7 -11.900   7.269  -1.071
   53    HD3  PRO   7           HD3      PRO   7 -11.268   8.797  -1.768
   54    HA   PRO   8           HA       PRO   8 -17.929   7.193  -1.904
   55    HB2  PRO   8           HB2      PRO   8 -19.700   7.955  -3.809
   56    HB3  PRO   8           HB3      PRO   8 -19.089   9.157  -2.622
   57    HG2  PRO   8           HG2      PRO   8 -18.038   8.637  -5.428
   58    HG3  PRO   8           HG3      PRO   8 -18.551  10.200  -4.726
   59    HD2  PRO   8           HD2      PRO   8 -15.929   9.345  -4.725
   60    HD3  PRO   8           HD3      PRO   8 -16.604  10.323  -3.384
   61    H    ASP   9           H        ASP   9 -15.679   6.106  -3.682
   62    HA   ASP   9           HA       ASP   9 -17.331   4.112  -5.136
   63    HB2  ASP   9           HB2      ASP   9 -15.900   4.367  -7.106
   64    HB3  ASP   9           HB3      ASP   9 -16.790   5.850  -6.694
   65    H    VAL  10           H        VAL  10 -15.399   4.356  -2.683
   66    HA   VAL  10           HA       VAL  10 -13.175   2.646  -3.184
   67    HB   VAL  10           HB       VAL  10 -14.746   3.106  -0.607
   68   HG11  VAL  10          HG11      VAL  10 -12.538   2.650   0.491
   69   HG12  VAL  10          HG12      VAL  10 -13.206   1.227  -0.323
   70   HG13  VAL  10          HG13      VAL  10 -11.893   2.153  -1.087
   71   HG21  VAL  10          HG21      VAL  10 -13.064   4.863  -0.166
   72   HG22  VAL  10          HG22      VAL  10 -12.340   4.574  -1.765
   73   HG23  VAL  10          HG23      VAL  10 -13.992   5.223  -1.628
   74    H    GLU  11           H        GLU  11 -16.486   1.950  -3.271
   75    HA   GLU  11           HA       GLU  11 -16.038  -0.909  -2.547
   76    HB2  GLU  11           HB2      GLU  11 -18.616   0.713  -2.483
   77    HB3  GLU  11           HB3      GLU  11 -18.426  -0.978  -1.981
   78    HG2  GLU  11           HG2      GLU  11 -16.770  -0.243  -0.260
   79    HG3  GLU  11           HG3      GLU  11 -17.050   1.437  -0.735
   80    H    GLY  12           H        GLY  12 -15.895   0.857  -5.137
   81    HA2  GLY  12           HA2      GLY  12 -17.378  -1.081  -6.870
   82    HA3  GLY  12           HA3      GLY  12 -17.365   0.669  -7.198
   83    H    MET  13           H        MET  13 -14.398  -0.349  -5.874
   84    HA   MET  13           HA       MET  13 -13.169  -1.048  -8.473
   85    HB2  MET  13           HB2      MET  13 -12.235   1.278  -6.744
   86    HB3  MET  13           HB3      MET  13 -11.429   0.673  -8.202
   87    HG2  MET  13           HG2      MET  13 -13.503   1.196  -9.505
   88    HG3  MET  13           HG3      MET  13 -14.183   1.949  -8.058
   89    HE1  MET  13           HE1      MET  13 -11.348   3.298  -6.885
   90    HE2  MET  13           HE2      MET  13 -11.742   4.944  -7.424
   91    HE3  MET  13           HE3      MET  13 -13.016   3.892  -6.755
   92    H    THR  14           H        THR  14 -10.716  -1.442  -8.050
   93    HA   THR  14           HA       THR  14 -10.333  -3.477  -6.133
   94    HB   THR  14           HB       THR  14  -8.327  -1.641  -7.510
   95   HG21  THR  14          HG21      THR  14  -7.984  -4.470  -6.427
   96   HG22  THR  14          HG22      THR  14  -6.795  -3.592  -7.421
   97   HG23  THR  14          HG23      THR  14  -7.197  -2.996  -5.807
   98    H    SER  15           H        SER  15  -8.864  -3.471  -4.245
   99    HA   SER  15           HA       SER  15  -8.257  -0.851  -3.041
  100    HB2  SER  15           HB2      SER  15 -10.539  -1.361  -2.214
  101    HB3  SER  15           HB3      SER  15  -9.961  -2.938  -1.620
  102    HG   SER  15           HG       SER  15  -9.948  -1.314  -0.007
  103    H    LEU  16           H        LEU  16  -6.347  -0.940  -2.026
  104    HA   LEU  16           HA       LEU  16  -5.237  -3.578  -1.180
  105    HB2  LEU  16           HB2      LEU  16  -4.381  -3.011  -3.461
  106    HB3  LEU  16           HB3      LEU  16  -3.843  -1.443  -2.838
  107    HG   LEU  16           HG       LEU  16  -2.538  -2.960  -1.060
  108   HD11  LEU  16          HD11      LEU  16  -3.533  -5.073  -1.959
  109   HD12  LEU  16          HD12      LEU  16  -2.731  -4.752  -3.513
  110   HD13  LEU  16          HD13      LEU  16  -1.754  -5.051  -2.058
  111   HD21  LEU  16          HD21      LEU  16  -0.598  -2.929  -2.682
  112   HD22  LEU  16          HD22      LEU  16  -1.752  -2.438  -3.948
  113   HD23  LEU  16          HD23      LEU  16  -1.465  -1.380  -2.555
  114    H    LYS  17           H        LYS  17  -5.461  -3.026   1.052
  115    HA   LYS  17           HA       LYS  17  -4.610  -0.467   2.042
  116    HB2  LYS  17           HB2      LYS  17  -5.012  -1.293   4.199
  117    HB3  LYS  17           HB3      LYS  17  -6.254  -2.017   3.155
  118    HG2  LYS  17           HG2      LYS  17  -4.935  -4.117   3.076
  119    HG3  LYS  17           HG3      LYS  17  -3.701  -3.379   4.118
  120    HD2  LYS  17           HD2      LYS  17  -6.625  -3.848   4.817
  121    HD3  LYS  17           HD3      LYS  17  -5.262  -4.824   5.371
  122    HE2  LYS  17           HE2      LYS  17  -5.888  -1.939   6.124
  123    HE3  LYS  17           HE3      LYS  17  -5.932  -3.362   7.153
  124    HZ1  LYS  17           HZ1      LYS  17  -3.538  -3.595   6.808
  125    HZ2  LYS  17           HZ2      LYS  17  -3.512  -2.186   5.963
  126    HZ3  LYS  17           HZ3      LYS  17  -3.944  -2.198   7.553
  127    H    VAL  18           H        VAL  18  -2.851  -0.118   3.572
  128    HA   VAL  18           HA       VAL  18  -0.475  -1.888   3.248
  129    HB   VAL  18           HB       VAL  18  -0.753   1.073   2.740
  130   HG11  VAL  18          HG11      VAL  18   1.814  -0.556   2.911
  131   HG12  VAL  18          HG12      VAL  18   1.676   1.147   2.385
  132   HG13  VAL  18          HG13      VAL  18   1.289   0.701   4.050
  133   HG21  VAL  18          HG21      VAL  18   0.284   0.518   0.526
  134   HG22  VAL  18          HG22      VAL  18   0.200  -1.204   0.961
  135   HG23  VAL  18          HG23      VAL  18  -1.294  -0.259   0.770
  136    H    ASP  19           H        ASP  19   0.657  -2.075   5.160
  137    HA   ASP  19           HA       ASP  19   0.339  -0.132   7.336
  138    HB2  ASP  19           HB2      ASP  19  -0.662  -1.777   8.860
  139    HB3  ASP  19           HB3      ASP  19  -1.714  -1.466   7.469
  140    H    ASN  20           H        ASN  20   1.289  -1.163   9.409
  141    HA   ASN  20           HA       ASN  20   2.651  -2.456  10.622
  142    HB2  ASN  20           HB2      ASN  20   2.501  -4.187   8.645
  143    HB3  ASN  20           HB3      ASN  20   4.145  -3.623   8.292
  144   HD21  ASN  20          HD22      ASN  20   5.817  -4.386   9.594
  145   HD22  ASN  20          HD21      ASN  20   5.549  -5.460  10.962
  146    H    LEU  21           H        LEU  21   3.506   0.060   8.638
  147    HA   LEU  21           HA       LEU  21   6.310   0.187   8.900
  148    HB2  LEU  21           HB2      LEU  21   6.006   2.632   8.615
  149    HB3  LEU  21           HB3      LEU  21   5.269   1.632   7.378
  150    HG   LEU  21           HG       LEU  21   3.932   3.586   7.976
  151   HD11  LEU  21          HD11      LEU  21   1.827   2.558   7.945
  152   HD12  LEU  21          HD12      LEU  21   2.909   1.413   7.136
  153   HD13  LEU  21          HD13      LEU  21   2.382   1.127   8.823
  154   HD21  LEU  21          HD21      LEU  21   4.442   3.711  10.387
  155   HD22  LEU  21          HD22      LEU  21   2.698   3.747  10.062
  156   HD23  LEU  21          HD23      LEU  21   3.451   2.258  10.664
  157    H    THR  22           H        THR  22   7.380   2.084  10.198
  158    HA   THR  22           HA       THR  22   7.324   1.073  12.903
  159    HB   THR  22           HB       THR  22   9.175   2.531  13.310
  160   HG21  THR  22          HG21      THR  22   9.318   1.587  10.421
  161   HG22  THR  22          HG22      THR  22  10.697   2.054  11.449
  162   HG23  THR  22          HG23      THR  22   9.712   0.638  11.878
  163    H    TYR  23           H        TYR  23   7.354   2.504  14.827
  164    HA   TYR  23           HA       TYR  23   5.005   4.184  14.960
  165    HB2  TYR  23           HB2      TYR  23   5.655   4.430  17.296
  166    HB3  TYR  23           HB3      TYR  23   5.720   2.740  16.795
  167    HD1  TYR  23           HD1      TYR  23   7.874   1.566  16.558
  168    HD2  TYR  23           HD2      TYR  23   7.667   5.642  17.915
  169    HE1  TYR  23           HE1      TYR  23  10.215   1.410  17.363
  170    HE2  TYR  23           HE2      TYR  23  10.002   5.498  18.727
  171    HH   TYR  23           HH       TYR  23  11.949   2.506  18.390
  172    H    ARG  24           H        ARG  24   7.696   4.881  13.356
  173    HA   ARG  24           HA       ARG  24   7.838   7.707  14.305
  174    HB2  ARG  24           HB2      ARG  24  10.040   5.914  13.213
  175    HB3  ARG  24           HB3      ARG  24  10.234   7.639  13.559
  176    HG2  ARG  24           HG2      ARG  24   9.583   5.466  15.585
  177    HG3  ARG  24           HG3      ARG  24  11.152   6.262  15.366
  178    HD2  ARG  24           HD2      ARG  24   8.563   7.629  16.192
  179    HD3  ARG  24           HD3      ARG  24   9.908   7.215  17.271
  180    HE   ARG  24           HE       ARG  24  11.109   8.750  15.318
  181   HH11  ARG  24          HH11      ARG  24   8.382   9.231  17.519
  182   HH12  ARG  24          HH12      ARG  24   8.607  10.964  17.597
  183   HH21  ARG  24          HH21      ARG  24  11.368  11.009  15.438
  184   HH22  ARG  24          HH22      ARG  24  10.295  11.963  16.432
  185    H    THR  25           H        THR  25   7.192   5.551  11.674
  186    HA   THR  25           HA       THR  25   7.787   7.349   9.513
  187    HB   THR  25           HB       THR  25   5.642   5.200   9.641
  188   HG21  THR  25          HG21      THR  25   7.274   6.416   7.384
  189   HG22  THR  25          HG22      THR  25   6.347   4.905   7.225
  190   HG23  THR  25          HG23      THR  25   5.497   6.426   7.568
  191    H    SER  26           H        SER  26   5.990   8.347   8.120
  192    HA   SER  26           HA       SER  26   3.753   9.378   9.788
  193    HB2  SER  26           HB2      SER  26   5.750  11.022   8.184
  194    HB3  SER  26           HB3      SER  26   4.251  11.665   8.871
  195    HG   SER  26           HG       SER  26   6.044  11.988  10.256
  196    HA   PRO  27           HA       PRO  27   1.379   8.584   6.257
  197    HB2  PRO  27           HB2      PRO  27  -0.560  10.531   6.272
  198    HB3  PRO  27           HB3      PRO  27  -0.470   9.213   7.477
  199    HG2  PRO  27           HG2      PRO  27   0.548  12.053   7.738
  200    HG3  PRO  27           HG3      PRO  27  -0.411  11.099   8.922
  201    HD2  PRO  27           HD2      PRO  27   2.304  11.364   9.088
  202    HD3  PRO  27           HD3      PRO  27   1.486   9.854   9.564
  203    H    ASP  28           H        ASP  28   3.038  11.686   6.411
  204    HA   ASP  28           HA       ASP  28   2.441  12.409   3.648
  205    HB2  ASP  28           HB2      ASP  28   3.069  14.058   5.425
  206    HB3  ASP  28           HB3      ASP  28   4.675  13.290   5.510
  207    H    THR  29           H        THR  29   4.871  10.557   5.464
  208    HA   THR  29           HA       THR  29   6.795  10.374   3.349
  209    HB   THR  29           HB       THR  29   6.447   8.158   5.341
  210   HG21  THR  29          HG21      THR  29   8.899   8.387   5.458
  211   HG22  THR  29          HG22      THR  29   8.365   8.242   3.771
  212   HG23  THR  29          HG23      THR  29   8.818   9.834   4.428
  213    H    LEU  30           H        LEU  30   4.167   8.211   4.556
  214    HA   LEU  30           HA       LEU  30   4.586   6.165   2.626
  215    HB2  LEU  30           HB2      LEU  30   1.990   6.964   3.993
  216    HB3  LEU  30           HB3      LEU  30   2.354   5.401   3.230
  217    HG   LEU  30           HG       LEU  30   3.867   6.542   5.617
  218   HD11  LEU  30          HD11      LEU  30   1.681   4.430   5.466
  219   HD12  LEU  30          HD12      LEU  30   2.540   4.962   6.938
  220   HD13  LEU  30          HD13      LEU  30   1.464   6.082   6.076
  221   HD21  LEU  30          HD21      LEU  30   3.784   3.764   4.345
  222   HD22  LEU  30          HD22      LEU  30   5.149   4.897   4.244
  223   HD23  LEU  30          HD23      LEU  30   4.686   4.201   5.811
  224    H    ARG  31           H        ARG  31   2.790   9.232   2.509
  225    HA   ARG  31           HA       ARG  31   1.216   8.648   0.208
  226    HB2  ARG  31           HB2      ARG  31   0.683  10.602   1.517
  227    HB3  ARG  31           HB3      ARG  31   2.330  11.223   1.394
  228    HG2  ARG  31           HG2      ARG  31   0.873  12.504  -0.071
  229    HG3  ARG  31           HG3      ARG  31   2.039  11.586  -1.030
  230    HD2  ARG  31           HD2      ARG  31   0.197   9.788  -1.236
  231    HD3  ARG  31           HD3      ARG  31  -0.914  11.021  -0.622
  232    HE   ARG  31           HE       ARG  31   0.624  11.109  -3.184
  233   HH11  ARG  31          HH11      ARG  31  -1.974  12.414  -1.167
  234   HH12  ARG  31          HH12      ARG  31  -2.608  13.414  -2.455
  235   HH21  ARG  31          HH21      ARG  31  -0.191  12.398  -4.798
  236   HH22  ARG  31          HH22      ARG  31  -1.602  13.401  -4.531
  237    H    ARG  32           H        ARG  32   4.528   9.967   0.516
  238    HA   ARG  32           HA       ARG  32   4.783  10.151  -2.415
  239    HB2  ARG  32           HB2      ARG  32   5.837  11.812  -0.916
  240    HB3  ARG  32           HB3      ARG  32   6.763  10.522  -0.122
  241    HG2  ARG  32           HG2      ARG  32   7.913  10.022  -2.258
  242    HG3  ARG  32           HG3      ARG  32   7.002  11.338  -3.044
  243    HD2  ARG  32           HD2      ARG  32   7.973  12.947  -1.416
  244    HD3  ARG  32           HD3      ARG  32   8.865  11.619  -0.655
  245    HE   ARG  32           HE       ARG  32   9.482  11.661  -3.435
  246   HH11  ARG  32          HH11      ARG  32  10.015  13.604  -0.529
  247   HH12  ARG  32          HH12      ARG  32  11.530  14.261  -1.101
  248   HH21  ARG  32          HH21      ARG  32  11.460  12.543  -4.165
  249   HH22  ARG  32          HH22      ARG  32  12.345  13.658  -3.155
  250    H    VAL  33           H        VAL  33   5.959   8.087   0.214
  251    HA   VAL  33           HA       VAL  33   7.769   6.453  -1.215
  252    HB   VAL  33           HB       VAL  33   5.997   6.095   1.213
  253   HG11  VAL  33          HG11      VAL  33   7.173   4.045   1.781
  254   HG12  VAL  33          HG12      VAL  33   6.225   3.862   0.299
  255   HG13  VAL  33          HG13      VAL  33   8.003   4.061   0.203
  256   HG21  VAL  33          HG21      VAL  33   8.004   7.622   1.276
  257   HG22  VAL  33          HG22      VAL  33   8.096   6.257   2.417
  258   HG23  VAL  33          HG23      VAL  33   9.021   6.218   0.891
  259    H    PHE  34           H        PHE  34   4.207   6.384  -1.094
  260    HA   PHE  34           HA       PHE  34   4.256   3.805  -2.584
  261    HB2  PHE  34           HB2      PHE  34   2.303   5.165  -0.754
  262    HB3  PHE  34           HB3      PHE  34   1.737   3.974  -1.917
  263    HD1  PHE  34           HD2      PHE  34   3.807   4.485   1.102
  264    HD2  PHE  34           HD1      PHE  34   2.351   1.618  -1.744
  265    HE1  PHE  34           HE2      PHE  34   4.537   2.639   2.590
  266    HE2  PHE  34           HE1      PHE  34   3.034  -0.230  -0.240
  267    HZ   PHE  34           HZ       PHE  34   4.144   0.290   1.933
  268    H    GLU  35           H        GLU  35   3.846   7.136  -3.028
  269    HA   GLU  35           HA       GLU  35   1.817   7.090  -5.074
  270    HB2  GLU  35           HB2      GLU  35   2.328   9.144  -3.965
  271    HB3  GLU  35           HB3      GLU  35   4.037   9.081  -4.467
  272    HG2  GLU  35           HG2      GLU  35   3.414   9.475  -6.761
  273    HG3  GLU  35           HG3      GLU  35   1.691   9.229  -6.399
  274    H    LYS  36           H        LYS  36   5.228   6.285  -5.039
  275    HA   LYS  36           HA       LYS  36   5.701   6.698  -7.860
  276    HB2  LYS  36           HB2      LYS  36   7.837   5.730  -7.416
  277    HB3  LYS  36           HB3      LYS  36   7.382   6.743  -6.023
  278    HG2  LYS  36           HG2      LYS  36   6.658   4.714  -4.797
  279    HG3  LYS  36           HG3      LYS  36   7.165   3.708  -6.174
  280    HD2  LYS  36           HD2      LYS  36   8.899   3.663  -4.486
  281    HD3  LYS  36           HD3      LYS  36   9.490   4.518  -5.920
  282    HE2  LYS  36           HE2      LYS  36   9.019   6.687  -4.845
  283    HE3  LYS  36           HE3      LYS  36   8.363   5.861  -3.425
  284    HZ1  LYS  36           HZ1      LYS  36  10.628   6.540  -3.103
  285    HZ2  LYS  36           HZ2      LYS  36  10.528   4.898  -3.055
  286    HZ3  LYS  36           HZ3      LYS  36  11.136   5.645  -4.388
  287    H    TYR  37           H        TYR  37   4.286   4.141  -5.984
  288    HA   TYR  37           HA       TYR  37   4.806   2.050  -7.943
  289    HB2  TYR  37           HB2      TYR  37   2.957   2.180  -5.541
  290    HB3  TYR  37           HB3      TYR  37   3.211   0.742  -6.541
  291    HD1  TYR  37           HD2      TYR  37   4.991   3.181  -4.358
  292    HD2  TYR  37           HD1      TYR  37   5.046  -0.692  -6.225
  293    HE1  TYR  37           HE2      TYR  37   7.073   2.617  -3.117
  294    HE2  TYR  37           HE1      TYR  37   7.091  -1.278  -4.957
  295    HH   TYR  37           HH       TYR  37   8.713  -0.543  -3.505
  296    H    GLY  38           H        GLY  38   2.502   4.628  -7.677
  297    HA2  GLY  38           HA2      GLY  38   1.676   4.681 -10.187
  298    HA3  GLY  38           HA3      GLY  38   0.727   3.291  -9.648
  299    H    ARG  39           H        ARG  39  -0.442   3.847  -7.326
  300    HA   ARG  39           HA       ARG  39  -1.472   6.571  -7.369
  301    HB2  ARG  39           HB2      ARG  39  -3.739   6.046  -7.975
  302    HB3  ARG  39           HB3      ARG  39  -2.641   5.538  -9.260
  303    HG2  ARG  39           HG2      ARG  39  -2.784   3.171  -8.222
  304    HG3  ARG  39           HG3      ARG  39  -4.181   3.804  -7.313
  305    HD2  ARG  39           HD2      ARG  39  -5.122   2.852  -9.240
  306    HD3  ARG  39           HD3      ARG  39  -5.108   4.603  -9.542
  307    HE   ARG  39           HE       ARG  39  -2.754   3.149 -10.527
  308   HH11  ARG  39          HH11      ARG  39  -5.992   4.313 -11.339
  309   HH12  ARG  39          HH12      ARG  39  -5.708   4.211 -13.064
  310   HH21  ARG  39          HH21      ARG  39  -2.410   3.058 -12.716
  311   HH22  ARG  39          HH22      ARG  39  -3.651   3.530 -13.858
  312    H    VAL  40           H        VAL  40  -0.743   6.623  -5.246
  313    HA   VAL  40           HA       VAL  40  -1.986   5.082  -3.152
  314    HB   VAL  40           HB       VAL  40   0.158   6.105  -2.872
  315   HG11  VAL  40          HG11      VAL  40  -1.164   8.834  -3.154
  316   HG12  VAL  40          HG12      VAL  40   0.542   8.492  -2.794
  317   HG13  VAL  40          HG13      VAL  40  -0.134   8.057  -4.376
  318   HG21  VAL  40          HG21      VAL  40  -1.338   5.886  -0.883
  319   HG22  VAL  40          HG22      VAL  40  -0.098   7.143  -0.723
  320   HG23  VAL  40          HG23      VAL  40  -1.778   7.602  -1.052
  321    H    GLY  41           H        GLY  41  -4.049   5.312  -4.407
  322    HA2  GLY  41           HA2      GLY  41  -5.540   7.625  -4.784
  323    HA3  GLY  41           HA3      GLY  41  -6.218   6.005  -4.534
  324    H    ASP  42           H        ASP  42  -4.901   5.992  -1.725
  325    HA   ASP  42           HA       ASP  42  -6.321   8.151  -0.355
  326    HB2  ASP  42           HB2      ASP  42  -7.878   6.085  -0.839
  327    HB3  ASP  42           HB3      ASP  42  -6.978   5.330   0.491
  328    H    VAL  43           H        VAL  43  -5.722   8.236   1.927
  329    HA   VAL  43           HA       VAL  43  -3.520   6.569   2.899
  330    HB   VAL  43           HB       VAL  43  -2.170   7.985   1.598
  331   HG11  VAL  43          HG11      VAL  43  -3.919  10.309   2.480
  332   HG12  VAL  43          HG12      VAL  43  -2.363  10.486   1.626
  333   HG13  VAL  43          HG13      VAL  43  -3.704   9.649   0.843
  334   HG21  VAL  43          HG21      VAL  43  -0.919   9.309   3.211
  335   HG22  VAL  43          HG22      VAL  43  -2.291   9.315   4.332
  336   HG23  VAL  43          HG23      VAL  43  -1.436   7.800   3.969
  337    H    TYR  44           H        TYR  44  -3.861   6.282   5.010
  338    HA   TYR  44           HA       TYR  44  -5.051   8.437   6.644
  339    HB2  TYR  44           HB2      TYR  44  -6.860   7.081   5.464
  340    HB3  TYR  44           HB3      TYR  44  -6.395   5.754   6.540
  341    HD1  TYR  44           HD1      TYR  44  -6.999   9.470   6.746
  342    HD2  TYR  44           HD2      TYR  44  -7.694   5.597   8.482
  343    HE1  TYR  44           HE1      TYR  44  -8.381  10.519   8.497
  344    HE2  TYR  44           HE2      TYR  44  -9.107   6.634  10.235
  345    HH   TYR  44           HH       TYR  44  -9.662  10.192  10.338
  346    H    ILE  45           H        ILE  45  -5.184   7.761   8.958
  347    HA   ILE  45           HA       ILE  45  -3.526   5.456   9.750
  348    HB   ILE  45           HB       ILE  45  -2.961   8.313  10.611
  349   HG12  ILE  45          HG12      ILE  45  -1.261   6.109   9.355
  350   HG13  ILE  45          HG13      ILE  45  -1.843   7.568   8.521
  351   HG21  ILE  45          HG21      ILE  45  -1.858   5.689  11.719
  352   HG22  ILE  45          HG22      ILE  45  -1.350   7.328  12.203
  353   HG23  ILE  45          HG23      ILE  45  -2.984   6.760  12.572
  354   HD11  ILE  45          HD11      ILE  45  -0.523   8.954  10.143
  355   HD12  ILE  45          HD12      ILE  45   0.163   7.452  10.807
  356   HD13  ILE  45          HD13      ILE  45   0.467   7.878   9.120
  357    HA   PRO  46           HA       PRO  46  -7.472   5.608  12.019
  358    HB2  PRO  46           HB2      PRO  46  -6.767   2.704  12.252
  359    HB3  PRO  46           HB3      PRO  46  -8.313   3.455  11.757
  360    HG2  PRO  46           HG2      PRO  46  -6.640   2.284   9.941
  361    HG3  PRO  46           HG3      PRO  46  -7.509   3.811   9.554
  362    HD2  PRO  46           HD2      PRO  46  -4.646   3.485  10.469
  363    HD3  PRO  46           HD3      PRO  46  -5.321   4.496   9.154
  364    H    ARG  47           H        ARG  47  -4.545   5.868  13.173
  365    HA   ARG  47           HA       ARG  47  -3.983   4.164  15.225
  366    HB2  ARG  47           HB2      ARG  47  -2.811   6.057  16.314
  367    HB3  ARG  47           HB3      ARG  47  -2.471   5.878  14.589
  368    HG2  ARG  47           HG2      ARG  47  -4.124   7.735  14.143
  369    HG3  ARG  47           HG3      ARG  47  -4.254   7.984  15.899
  370    HD2  ARG  47           HD2      ARG  47  -1.862   8.440  16.048
  371    HD3  ARG  47           HD3      ARG  47  -1.665   8.111  14.315
  372    HE   ARG  47           HE       ARG  47  -3.646  10.105  14.551
  373   HH11  ARG  47          HH11      ARG  47  -0.189   9.725  15.198
  374   HH12  ARG  47          HH12      ARG  47   0.151  11.424  14.936
  375   HH21  ARG  47          HH21      ARG  47  -3.164  12.297  14.206
  376   HH22  ARG  47          HH22      ARG  47  -1.521  12.868  14.392
  377    H    ASP  48           H        ASP  48  -5.744   7.227  15.886
  378    HA   ASP  48           HA       ASP  48  -7.850   5.870  17.318
  379    HB2  ASP  48           HB2      ASP  48  -5.825   6.049  18.960
  380    HB3  ASP  48           HB3      ASP  48  -6.176   7.785  18.957
  381    H    ARG  49           H        ARG  49  -9.073   7.952  18.535
  382    HA   ARG  49           HA       ARG  49  -8.943  10.272  16.695
  383    HB2  ARG  49           HB2      ARG  49 -10.578   8.551  15.854
  384    HB3  ARG  49           HB3      ARG  49 -11.510   8.778  17.351
  385    HG2  ARG  49           HG2      ARG  49 -11.912  11.141  16.746
  386    HG3  ARG  49           HG3      ARG  49 -10.832  10.973  15.336
  387    HD2  ARG  49           HD2      ARG  49 -13.136  10.781  14.618
  388    HD3  ARG  49           HD3      ARG  49 -12.320   9.211  14.437
  389    HE   ARG  49           HE       ARG  49 -13.383   8.760  16.789
  390   HH11  ARG  49          HH11      ARG  49 -14.907  10.557  14.138
  391   HH12  ARG  49          HH12      ARG  49 -16.526  10.131  14.632
  392   HH21  ARG  49          HH21      ARG  49 -15.502   8.272  17.434
  393   HH22  ARG  49          HH22      ARG  49 -16.864   8.833  16.497
  394    H    TYR  50           H        TYR  50  -8.688   9.243  19.727
  395    HA   TYR  50           HA       TYR  50  -9.664  11.835  20.831
  396    HB2  TYR  50           HB2      TYR  50  -9.825   9.229  22.355
  397    HB3  TYR  50           HB3      TYR  50 -10.542  10.780  22.780
  398    HD1  TYR  50           HD1      TYR  50 -12.501  11.636  21.343
  399    HD2  TYR  50           HD2      TYR  50 -10.937   7.642  21.086
  400    HE1  TYR  50           HE1      TYR  50 -14.616  10.884  20.276
  401    HE2  TYR  50           HE2      TYR  50 -13.035   6.869  20.028
  402    HH   TYR  50           HH       TYR  50 -15.781   9.111  19.419
  403    H    THR  51           H        THR  51  -7.171   9.493  20.464
  404    HA   THR  51           HA       THR  51  -5.543  10.861  22.546
  405    HB   THR  51           HB       THR  51  -4.584   8.771  23.184
  406   HG21  THR  51          HG21      THR  51  -6.492   7.514  24.042
  407   HG22  THR  51          HG22      THR  51  -6.872   9.251  24.133
  408   HG23  THR  51          HG23      THR  51  -7.582   8.245  22.849
  409    H    LYS  52           H        LYS  52  -5.958   9.868  19.316
  410    HA   LYS  52           HA       LYS  52  -4.559   9.517  17.559
  411    HB2  LYS  52           HB2      LYS  52  -3.778  11.782  16.827
  412    HB3  LYS  52           HB3      LYS  52  -5.460  11.703  17.379
  413    HG2  LYS  52           HG2      LYS  52  -4.827  12.653  19.563
  414    HG3  LYS  52           HG3      LYS  52  -3.119  12.669  19.082
  415    HD2  LYS  52           HD2      LYS  52  -4.101  14.890  18.834
  416    HD3  LYS  52           HD3      LYS  52  -3.677  14.233  17.235
  417    HE2  LYS  52           HE2      LYS  52  -6.037  13.571  16.892
  418    HE3  LYS  52           HE3      LYS  52  -6.451  14.190  18.502
  419    HZ1  LYS  52           HZ1      LYS  52  -5.781  16.374  17.773
  420    HZ2  LYS  52           HZ2      LYS  52  -5.402  15.811  16.277
  421    HZ3  LYS  52           HZ3      LYS  52  -6.959  15.783  16.792
  422    H    GLU  53           H        GLU  53  -3.096   8.076  19.181
  423    HA   GLU  53           HA       GLU  53  -0.332   9.071  18.719
  424    HB2  GLU  53           HB2      GLU  53   0.368   8.577  20.989
  425    HB3  GLU  53           HB3      GLU  53  -0.942   9.761  21.003
  426    HG2  GLU  53           HG2      GLU  53  -2.563   7.946  21.542
  427    HG3  GLU  53           HG3      GLU  53  -1.246   6.769  21.515
  428    H    SER  54           H        SER  54  -2.483   6.461  18.490
  429    HA   SER  54           HA       SER  54  -0.502   4.359  18.887
  430    HB2  SER  54           HB2      SER  54  -3.255   4.279  17.577
  431    HB3  SER  54           HB3      SER  54  -2.294   2.872  18.073
  432    HG   SER  54           HG       SER  54  -3.857   3.499  19.638
  433    H    ARG  55           H        ARG  55   0.504   6.275  17.154
  434    HA   ARG  55           HA       ARG  55   0.035   5.862  14.390
  435    HB2  ARG  55           HB2      ARG  55   1.972   7.288  14.087
  436    HB3  ARG  55           HB3      ARG  55   0.973   7.902  15.416
  437    HG2  ARG  55           HG2      ARG  55   2.510   6.841  17.055
  438    HG3  ARG  55           HG3      ARG  55   3.516   6.232  15.725
  439    HD2  ARG  55           HD2      ARG  55   2.918   9.165  16.290
  440    HD3  ARG  55           HD3      ARG  55   4.412   8.318  16.744
  441    HE   ARG  55           HE       ARG  55   4.032   7.949  13.966
  442   HH11  ARG  55          HH11      ARG  55   4.695  10.572  16.244
  443   HH12  ARG  55          HH12      ARG  55   5.566  11.530  15.071
  444   HH21  ARG  55          HH21      ARG  55   5.175   9.219  12.455
  445   HH22  ARG  55          HH22      ARG  55   5.843  10.758  12.930
  446    H    GLY  56           H        GLY  56   0.975   3.399  16.121
  447    HA2  GLY  56           HA2      GLY  56   3.474   2.549  15.013
  448    HA3  GLY  56           HA3      GLY  56   2.275   1.533  15.822
  449    H    PHE  57           H        PHE  57   0.614   3.040  13.323
  450    HA   PHE  57           HA       PHE  57   1.564   1.429  11.102
  451    HB2  PHE  57           HB2      PHE  57  -0.330   0.028  10.858
  452    HB3  PHE  57           HB3      PHE  57   0.197  -0.175  12.525
  453    HD1  PHE  57           HD1      PHE  57  -1.029   1.172  14.356
  454    HD2  PHE  57           HD2      PHE  57  -2.505   0.705  10.343
  455    HE1  PHE  57           HE1      PHE  57  -3.293   1.821  15.117
  456    HE2  PHE  57           HE2      PHE  57  -4.755   1.382  11.084
  457    HZ   PHE  57           HZ       PHE  57  -5.168   1.926  13.493
  458    H    ALA  58           H        ALA  58  -0.191   1.583   9.293
  459    HA   ALA  58           HA       ALA  58  -1.787   4.040   9.362
  460    HB1  ALA  58           HB1      ALA  58   0.309   3.650   7.192
  461    HB2  ALA  58           HB2      ALA  58  -0.724   5.058   7.449
  462    HB3  ALA  58           HB3      ALA  58   0.561   4.706   8.616
  463    H    PHE  59           H        PHE  59  -2.555   4.251   6.814
  464    HA   PHE  59           HA       PHE  59  -3.161   1.606   5.678
  465    HB2  PHE  59           HB2      PHE  59  -4.842   2.066   7.477
  466    HB3  PHE  59           HB3      PHE  59  -5.332   3.516   6.612
  467    HD1  PHE  59           HD1      PHE  59  -4.966   1.750   3.797
  468    HD2  PHE  59           HD2      PHE  59  -7.192   1.428   7.470
  469    HE1  PHE  59           HE1      PHE  59  -6.697   0.418   2.641
  470    HE2  PHE  59           HE2      PHE  59  -8.925   0.111   6.293
  471    HZ   PHE  59           HZ       PHE  59  -8.669  -0.417   3.884
  472    H    VAL  60           H        VAL  60  -1.904   2.449   3.848
  473    HA   VAL  60           HA       VAL  60  -3.452   4.551   2.388
  474    HB   VAL  60           HB       VAL  60  -1.796   4.695   0.722
  475   HG11  VAL  60          HG11      VAL  60  -0.392   4.670   3.425
  476   HG12  VAL  60          HG12      VAL  60   0.101   5.581   1.978
  477   HG13  VAL  60          HG13      VAL  60  -1.418   5.989   2.802
  478   HG21  VAL  60          HG21      VAL  60  -1.067   2.313   0.669
  479   HG22  VAL  60          HG22      VAL  60   0.174   3.555   0.471
  480   HG23  VAL  60          HG23      VAL  60   0.038   2.735   2.033
  481    H    ARG  61           H        ARG  61  -3.993   4.098   0.083
  482    HA   ARG  61           HA       ARG  61  -4.555   1.225  -0.375
  483    HB2  ARG  61           HB2      ARG  61  -6.563   1.709   0.633
  484    HB3  ARG  61           HB3      ARG  61  -6.536   3.411   0.127
  485    HG2  ARG  61           HG2      ARG  61  -7.111   2.817  -2.155
  486    HG3  ARG  61           HG3      ARG  61  -7.010   1.084  -1.769
  487    HD2  ARG  61           HD2      ARG  61  -9.338   2.066  -1.905
  488    HD3  ARG  61           HD3      ARG  61  -8.952   1.134  -0.454
  489    HE   ARG  61           HE       ARG  61  -9.284   4.094  -0.613
  490   HH11  ARG  61          HH11      ARG  61  -8.739   1.163   1.281
  491   HH12  ARG  61          HH12      ARG  61  -9.111   1.948   2.806
  492   HH21  ARG  61          HH21      ARG  61  -9.736   5.087   1.422
  493   HH22  ARG  61          HH22      ARG  61  -9.678   4.120   2.878
  494    H    PHE  62           H        PHE  62  -4.746   0.603  -2.414
  495    HA   PHE  62           HA       PHE  62  -4.481   2.670  -4.551
  496    HB2  PHE  62           HB2      PHE  62  -3.586  -0.233  -4.523
  497    HB3  PHE  62           HB3      PHE  62  -3.563   0.804  -5.934
  498    HD1  PHE  62           HD1      PHE  62  -2.396   0.913  -2.326
  499    HD2  PHE  62           HD2      PHE  62  -1.514   1.770  -6.456
  500    HE1  PHE  62           HE1      PHE  62  -0.211   1.840  -1.661
  501    HE2  PHE  62           HE2      PHE  62   0.734   2.596  -5.791
  502    HZ   PHE  62           HZ       PHE  62   1.400   2.576  -3.401
  503    H    HIS  63           H        HIS  63  -5.629   2.023  -6.620
  504    HA   HIS  63           HA       HIS  63  -7.993   0.326  -6.065
  505    HB2  HIS  63           HB2      HIS  63  -9.510   1.990  -6.831
  506    HB3  HIS  63           HB3      HIS  63  -8.543   2.647  -5.495
  507    HD2  HIS  63           HD2      HIS  63  -6.631   4.520  -6.168
  508    HE1  HIS  63           HE1      HIS  63  -8.328   5.453  -9.955
  509    HE2  HIS  63           HE2      HIS  63  -6.668   6.212  -8.172
  510    H    ASP  64           H        ASP  64  -5.468   0.365  -7.839
  511    HA   ASP  64           HA       ASP  64  -6.970  -0.767 -10.132
  512    HB2  ASP  64           HB2      ASP  64  -6.058   1.446 -10.812
  513    HB3  ASP  64           HB3      ASP  64  -4.423   0.865 -10.420
  514    H    LYS  65           H        LYS  65  -6.263  -2.734 -10.791
  515    HA   LYS  65           HA       LYS  65  -4.889  -4.277  -8.865
  516    HB2  LYS  65           HB2      LYS  65  -5.535  -4.855 -11.783
  517    HB3  LYS  65           HB3      LYS  65  -4.991  -6.061 -10.597
  518    HG2  LYS  65           HG2      LYS  65  -6.989  -5.642  -9.216
  519    HG3  LYS  65           HG3      LYS  65  -7.527  -4.381 -10.344
  520    HD2  LYS  65           HD2      LYS  65  -8.697  -6.527 -10.722
  521    HD3  LYS  65           HD3      LYS  65  -7.758  -6.020 -12.138
  522    HE2  LYS  65           HE2      LYS  65  -5.945  -7.557 -11.517
  523    HE3  LYS  65           HE3      LYS  65  -6.828  -8.036 -10.055
  524    HZ1  LYS  65           HZ1      LYS  65  -7.738  -8.442 -12.828
  525    HZ2  LYS  65           HZ2      LYS  65  -7.132  -9.602 -11.837
  526    HZ3  LYS  65           HZ3      LYS  65  -8.569  -8.892 -11.483
  527    H    ARG  66           H        ARG  66  -3.679  -2.727 -11.873
  528    HA   ARG  66           HA       ARG  66  -1.382  -4.459 -11.995
  529    HB2  ARG  66           HB2      ARG  66  -0.797  -3.288 -13.904
  530    HB3  ARG  66           HB3      ARG  66  -2.547  -3.079 -13.845
  531    HG2  ARG  66           HG2      ARG  66  -2.009  -0.829 -12.590
  532    HG3  ARG  66           HG3      ARG  66  -0.350  -1.088 -13.186
  533    HD2  ARG  66           HD2      ARG  66  -1.357   0.276 -14.816
  534    HD3  ARG  66           HD3      ARG  66  -1.448  -1.359 -15.507
  535    HE   ARG  66           HE       ARG  66  -3.784  -0.711 -13.922
  536   HH11  ARG  66          HH11      ARG  66  -2.360  -0.252 -17.128
  537   HH12  ARG  66          HH12      ARG  66  -3.898   0.104 -17.880
  538   HH21  ARG  66          HH21      ARG  66  -5.734  -0.194 -14.895
  539   HH22  ARG  66          HH22      ARG  66  -5.824   0.099 -16.618
  540    H    ASP  67           H        ASP  67  -1.966  -1.203 -10.661
  541    HA   ASP  67           HA       ASP  67   0.820  -0.873  -9.855
  542    HB2  ASP  67           HB2      ASP  67  -1.724   0.664  -9.190
  543    HB3  ASP  67           HB3      ASP  67  -0.092   1.161  -8.727
  544    H    ALA  68           H        ALA  68  -2.155  -2.200  -8.504
  545    HA   ALA  68           HA       ALA  68  -1.235  -2.069  -5.767
  546    HB1  ALA  68           HB1      ALA  68  -3.626  -2.084  -6.330
  547    HB2  ALA  68           HB2      ALA  68  -3.453  -3.685  -7.100
  548    HB3  ALA  68           HB3      ALA  68  -3.228  -3.518  -5.352
  549    H    GLU  69           H        GLU  69  -1.155  -4.512  -8.401
  550    HA   GLU  69           HA       GLU  69  -0.206  -6.622  -6.670
  551    HB2  GLU  69           HB2      GLU  69  -0.181  -6.212  -9.683
  552    HB3  GLU  69           HB3      GLU  69   0.519  -7.638  -8.912
  553    HG2  GLU  69           HG2      GLU  69  -1.648  -8.153  -7.836
  554    HG3  GLU  69           HG3      GLU  69  -2.380  -6.749  -8.605
  555    H    ASP  70           H        ASP  70   1.406  -4.037  -8.588
  556    HA   ASP  70           HA       ASP  70   4.053  -5.111  -8.099
  557    HB2  ASP  70           HB2      ASP  70   2.998  -2.349  -8.797
  558    HB3  ASP  70           HB3      ASP  70   4.714  -2.715  -8.578
  559    H    ALA  71           H        ALA  71   1.881  -2.837  -6.381
  560    HA   ALA  71           HA       ALA  71   3.816  -1.811  -4.596
  561    HB1  ALA  71           HB1      ALA  71   0.822  -2.204  -4.240
  562    HB2  ALA  71           HB2      ALA  71   1.856  -1.171  -3.219
  563    HB3  ALA  71           HB3      ALA  71   1.631  -0.781  -4.937
  564    H    MET  72           H        MET  72   1.903  -4.843  -4.455
  565    HA   MET  72           HA       MET  72   2.974  -5.331  -1.739
  566    HB2  MET  72           HB2      MET  72   1.615  -7.322  -1.733
  567    HB3  MET  72           HB3      MET  72   0.631  -5.973  -2.362
  568    HG2  MET  72           HG2      MET  72   1.219  -6.703  -4.661
  569    HG3  MET  72           HG3      MET  72   2.030  -8.125  -3.982
  570    HE1  MET  72           HE1      MET  72  -0.970  -9.801  -5.654
  571    HE2  MET  72           HE2      MET  72   0.141  -8.518  -6.203
  572    HE3  MET  72           HE3      MET  72   0.762  -9.906  -5.294
  573    H    ASP  73           H        ASP  73   3.635  -6.248  -5.095
  574    HA   ASP  73           HA       ASP  73   5.316  -8.491  -4.471
  575    HB2  ASP  73           HB2      ASP  73   4.286  -8.094  -6.682
  576    HB3  ASP  73           HB3      ASP  73   5.292  -6.648  -6.887
  577    H    ALA  74           H        ALA  74   5.731  -5.162  -3.875
  578    HA   ALA  74           HA       ALA  74   8.675  -5.585  -3.586
  579    HB1  ALA  74           HB1      ALA  74   7.175  -3.211  -4.673
  580    HB2  ALA  74           HB2      ALA  74   8.937  -3.221  -4.358
  581    HB3  ALA  74           HB3      ALA  74   8.234  -4.294  -5.601
  582    H    MET  75           H        MET  75   5.780  -4.691  -1.990
  583    HA   MET  75           HA       MET  75   7.455  -3.513   0.213
  584    HB2  MET  75           HB2      MET  75   4.559  -2.940  -0.436
  585    HB3  MET  75           HB3      MET  75   5.442  -2.301   0.952
  586    HG2  MET  75           HG2      MET  75   6.218  -1.731  -1.933
  587    HG3  MET  75           HG3      MET  75   5.142  -0.721  -0.979
  588    HE1  MET  75           HE1      MET  75   7.619   1.905  -0.499
  589    HE2  MET  75           HE2      MET  75   6.333   1.259  -1.545
  590    HE3  MET  75           HE3      MET  75   6.035   1.468   0.179
  591    H    ASP  76           H        ASP  76   5.061  -6.022  -0.618
  592    HA   ASP  76           HA       ASP  76   4.313  -6.404   2.138
  593    HB2  ASP  76           HB2      ASP  76   2.848  -7.024   0.223
  594    HB3  ASP  76           HB3      ASP  76   3.998  -8.295  -0.227
  595    H    GLY  77           H        GLY  77   6.718  -6.306   2.694
  596    HA2  GLY  77           HA2      GLY  77   7.743  -8.419   3.953
  597    HA3  GLY  77           HA3      GLY  77   8.210  -8.808   2.277
  598    H    ALA  78           H        ALA  78   8.185  -5.520   2.269
  599    HA   ALA  78           HA       ALA  78  11.038  -5.272   2.313
  600    HB1  ALA  78           HB1      ALA  78   8.780  -3.227   2.253
  601    HB2  ALA  78           HB2      ALA  78  10.497  -2.875   1.916
  602    HB3  ALA  78           HB3      ALA  78   9.591  -3.957   0.845
  603    H    VAL  79           H        VAL  79  11.807  -3.114   3.525
  604    HA   VAL  79           HA       VAL  79  11.067  -3.310   6.405
  605    HB   VAL  79           HB       VAL  79  13.903  -3.391   5.275
  606   HG11  VAL  79          HG11      VAL  79  12.884  -3.457   8.134
  607   HG12  VAL  79          HG12      VAL  79  14.560  -3.746   7.624
  608   HG13  VAL  79          HG13      VAL  79  13.817  -2.152   7.363
  609   HG21  VAL  79          HG21      VAL  79  12.211  -5.537   6.623
  610   HG22  VAL  79          HG22      VAL  79  12.861  -5.567   4.973
  611   HG23  VAL  79          HG23      VAL  79  13.963  -5.657   6.356
  612    H    LEU  80           H        LEU  80  10.764  -1.339   7.254
  613    HA   LEU  80           HA       LEU  80  11.288   1.037   5.671
  614    HB2  LEU  80           HB2      LEU  80   9.302   0.577   7.163
  615    HB3  LEU  80           HB3      LEU  80  10.355   0.737   8.562
  616    HG   LEU  80           HG       LEU  80   8.992   2.720   8.127
  617   HD11  LEU  80          HD11      LEU  80  11.896   3.435   7.591
  618   HD12  LEU  80          HD12      LEU  80  10.655   4.435   8.336
  619   HD13  LEU  80          HD13      LEU  80  11.233   2.994   9.196
  620   HD21  LEU  80          HD21      LEU  80   8.890   2.510   5.640
  621   HD22  LEU  80          HD22      LEU  80   9.357   4.140   6.171
  622   HD23  LEU  80          HD23      LEU  80  10.590   3.021   5.546
  623    H    ASP  81           H        ASP  81  12.375  -0.149   8.893
  624    HA   ASP  81           HA       ASP  81  15.043   1.017   8.386
  625    HB2  ASP  81           HB2      ASP  81  13.671   2.809   9.434
  626    HB3  ASP  81           HB3      ASP  81  13.342   1.743  10.805
  627    H    GLY  82           H        GLY  82  13.024  -1.367   9.931
  628    HA2  GLY  82           HA2      GLY  82  15.100  -3.149  10.388
  629    HA3  GLY  82           HA3      GLY  82  14.929  -2.256  11.915
  630    H    ARG  83           H        ARG  83  12.064  -2.813   9.926
  631    HA   ARG  83           HA       ARG  83  11.219  -5.142  11.567
  632    HB2  ARG  83           HB2      ARG  83   9.018  -4.069  11.830
  633    HB3  ARG  83           HB3      ARG  83  10.297  -3.174  12.665
  634    HG2  ARG  83           HG2      ARG  83  10.321  -1.443  11.064
  635    HG3  ARG  83           HG3      ARG  83   9.464  -2.414   9.849
  636    HD2  ARG  83           HD2      ARG  83   8.000  -0.717  10.915
  637    HD3  ARG  83           HD3      ARG  83   7.445  -2.394  11.113
  638    HE   ARG  83           HE       ARG  83   9.049  -1.257  13.324
  639   HH11  ARG  83          HH11      ARG  83   5.848  -2.066  12.066
  640   HH12  ARG  83          HH12      ARG  83   5.105  -2.120  13.642
  641   HH21  ARG  83          HH21      ARG  83   8.042  -1.303  15.381
  642   HH22  ARG  83          HH22      ARG  83   6.337  -1.664  15.514
  643    H    GLU  84           H        GLU  84   8.583  -4.851  10.335
  644    HA   GLU  84           HA       GLU  84   9.270  -5.655   7.527
  645    HB2  GLU  84           HB2      GLU  84   7.271  -6.808   9.512
  646    HB3  GLU  84           HB3      GLU  84   7.187  -7.129   7.775
  647    HG2  GLU  84           HG2      GLU  84   9.568  -7.976   7.892
  648    HG3  GLU  84           HG3      GLU  84   9.518  -7.743   9.645
  649    H    LEU  85           H        LEU  85   7.448  -5.423   6.007
  650    HA   LEU  85           HA       LEU  85   5.480  -3.321   6.782
  651    HB2  LEU  85           HB2      LEU  85   7.080  -3.541   4.209
  652    HB3  LEU  85           HB3      LEU  85   5.713  -2.438   4.457
  653    HG   LEU  85           HG       LEU  85   8.306  -2.416   6.071
  654   HD11  LEU  85          HD11      LEU  85   8.713  -0.279   4.908
  655   HD12  LEU  85          HD12      LEU  85   8.603  -1.617   3.752
  656   HD13  LEU  85          HD13      LEU  85   7.225  -0.506   3.958
  657   HD21  LEU  85          HD21      LEU  85   5.857  -0.598   6.110
  658   HD22  LEU  85          HD22      LEU  85   6.438  -1.628   7.437
  659   HD23  LEU  85          HD23      LEU  85   7.404  -0.241   6.917
  660    H    ARG  86           H        ARG  86   3.515  -3.392   5.437
  661    HA   ARG  86           HA       ARG  86   2.946  -6.095   4.332
  662    HB2  ARG  86           HB2      ARG  86   1.673  -4.681   6.691
  663    HB3  ARG  86           HB3      ARG  86   0.714  -5.785   5.725
  664    HG2  ARG  86           HG2      ARG  86   3.315  -6.494   7.163
  665    HG3  ARG  86           HG3      ARG  86   1.674  -6.926   7.689
  666    HD2  ARG  86           HD2      ARG  86   1.344  -8.172   5.542
  667    HD3  ARG  86           HD3      ARG  86   3.031  -7.817   5.118
  668    HE   ARG  86           HE       ARG  86   2.739  -9.139   7.696
  669   HH11  ARG  86          HH11      ARG  86   3.064  -9.543   4.200
  670   HH12  ARG  86          HH12      ARG  86   3.718 -11.160   4.322
  671   HH21  ARG  86          HH21      ARG  86   3.600 -11.258   7.830
  672   HH22  ARG  86          HH22      ARG  86   4.005 -12.132   6.370
  673    H    VAL  87           H        VAL  87   1.556  -6.163   2.740
  674    HA   VAL  87           HA       VAL  87  -0.147  -3.873   2.043
  675    HB   VAL  87           HB       VAL  87   2.061  -4.925   0.210
  676   HG11  VAL  87          HG11      VAL  87  -0.128  -2.846  -0.195
  677   HG12  VAL  87          HG12      VAL  87   1.230  -3.142  -1.317
  678   HG13  VAL  87          HG13      VAL  87   0.028  -4.413  -1.025
  679   HG21  VAL  87          HG21      VAL  87   2.741  -2.453   0.258
  680   HG22  VAL  87          HG22      VAL  87   1.727  -2.308   1.703
  681   HG23  VAL  87          HG23      VAL  87   3.120  -3.420   1.702
  682    H    GLN  88           H        GLN  88  -2.072  -4.870   1.603
  683    HA   GLN  88           HA       GLN  88  -2.137  -7.098  -0.257
  684    HB2  GLN  88           HB2      GLN  88  -3.310  -8.645   1.258
  685    HB3  GLN  88           HB3      GLN  88  -1.655  -8.362   1.782
  686    HG2  GLN  88           HG2      GLN  88  -4.043  -6.880   2.945
  687    HG3  GLN  88           HG3      GLN  88  -3.449  -8.398   3.607
  688   HE21  GLN  88          HE22      GLN  88  -3.549  -5.536   4.657
  689   HE22  GLN  88          HE21      GLN  88  -1.921  -5.223   5.221
  690    H    MET  89           H        MET  89  -4.488  -7.845  -0.570
  691    HA   MET  89           HA       MET  89  -6.014  -5.514  -1.172
  692    HB2  MET  89           HB2      MET  89  -6.865  -8.433  -1.099
  693    HB3  MET  89           HB3      MET  89  -7.698  -7.108  -1.957
  694    HG2  MET  89           HG2      MET  89  -4.868  -8.097  -2.488
  695    HG3  MET  89           HG3      MET  89  -6.279  -8.437  -3.492
  696    HE1  MET  89           HE1      MET  89  -4.384  -7.635  -5.376
  697    HE2  MET  89           HE2      MET  89  -3.750  -5.976  -5.431
  698    HE3  MET  89           HE3      MET  89  -3.264  -7.065  -4.113
  699    H    ALA  90           H        ALA  90  -8.018  -4.783  -0.310
  700    HA   ALA  90           HA       ALA  90  -8.233  -5.077   2.567
  701    HB1  ALA  90           HB1      ALA  90 -10.040  -3.426   2.343
  702    HB2  ALA  90           HB2      ALA  90  -8.623  -2.929   1.392
  703    HB3  ALA  90           HB3      ALA  90 -10.043  -3.644   0.585
  704    H    ARG  91           H        ARG  91 -10.691  -5.199   3.372
  705    HA   ARG  91           HA       ARG  91 -12.069  -7.486   2.064
  706    HB2  ARG  91           HB2      ARG  91 -12.254  -8.661   4.131
  707    HB3  ARG  91           HB3      ARG  91 -10.524  -8.259   3.908
  708    HG2  ARG  91           HG2      ARG  91 -10.989  -6.196   5.372
  709    HG3  ARG  91           HG3      ARG  91 -12.562  -6.923   5.735
  710    HD2  ARG  91           HD2      ARG  91  -9.868  -8.247   6.242
  711    HD3  ARG  91           HD3      ARG  91 -10.827  -7.386   7.456
  712    HE   ARG  91           HE       ARG  91 -12.490  -9.347   6.267
  713   HH11  ARG  91          HH11      ARG  91  -9.637  -9.152   8.346
  714   HH12  ARG  91          HH12      ARG  91  -9.974 -10.670   9.150
  715   HH21  ARG  91          HH21      ARG  91 -12.905 -11.325   7.330
  716   HH22  ARG  91          HH22      ARG  91 -11.822 -11.890   8.581
  717    H    TYR  92           H        TYR  92 -12.200  -4.451   3.433
  718    HA   TYR  92           HA       TYR  92 -15.152  -4.630   3.800
  719    HB2  TYR  92           HB2      TYR  92 -13.203  -3.054   5.516
  720    HB3  TYR  92           HB3      TYR  92 -14.956  -2.996   5.657
  721    HD1  TYR  92           HD1      TYR  92 -15.835  -5.751   5.603
  722    HD2  TYR  92           HD2      TYR  92 -12.314  -4.052   7.390
  723    HE1  TYR  92           HE1      TYR  92 -15.776  -7.616   7.242
  724    HE2  TYR  92           HE2      TYR  92 -12.248  -5.901   9.044
  725    HH   TYR  92           HH       TYR  92 -14.695  -8.521   9.048
  726    H    GLY  93           H        GLY  93 -16.002  -2.224   3.988
  727    HA2  GLY  93           HA2      GLY  93 -14.714  -0.560   1.863
  728    HA3  GLY  93           HA3      GLY  93 -16.462  -0.830   1.947
  729    H    ARG  94           H        ARG  94 -14.755  -0.650   4.907
  730    HA   ARG  94           HA       ARG  94 -14.032   1.237   6.137
  731    HB2  ARG  94           HB2      ARG  94 -16.590   2.480   5.114
  732    HB3  ARG  94           HB3      ARG  94 -15.744   3.062   6.560
  733    HG2  ARG  94           HG2      ARG  94 -13.655   3.362   5.286
  734    HG3  ARG  94           HG3      ARG  94 -14.442   2.763   3.822
  735    HD2  ARG  94           HD2      ARG  94 -14.453   5.146   3.666
  736    HD3  ARG  94           HD3      ARG  94 -16.117   4.683   4.075
  737    HE   ARG  94           HE       ARG  94 -14.512   5.231   6.435
  738   HH11  ARG  94          HH11      ARG  94 -16.463   6.719   3.897
  739   HH12  ARG  94          HH12      ARG  94 -16.744   8.186   4.817
  740   HH21  ARG  94          HH21      ARG  94 -14.796   7.193   7.558
  741   HH22  ARG  94          HH22      ARG  94 -15.835   8.433   6.896
  742    HA   PRO  95           HA       PRO  95 -15.804  -0.868   9.517
  743    HB2  PRO  95           HB2      PRO  95 -15.471   1.013  11.523
  744    HB3  PRO  95           HB3      PRO  95 -14.161   0.014  10.829
  745    HG2  PRO  95           HG2      PRO  95 -14.912   2.864  10.057
  746    HG3  PRO  95           HG3      PRO  95 -13.285   2.231  10.398
  747    HD2  PRO  95           HD2      PRO  95 -14.128   2.431   7.866
  748    HD3  PRO  95           HD3      PRO  95 -13.252   0.967   8.389
  749    HA   PRO  96           HA       PRO  96 -20.018   0.484   9.547
  750    HB2  PRO  96           HB2      PRO  96 -21.093  -1.206  11.395
  751    HB3  PRO  96           HB3      PRO  96 -20.442  -1.792   9.828
  752    HG2  PRO  96           HG2      PRO  96 -19.050  -1.716  12.520
  753    HG3  PRO  96           HG3      PRO  96 -19.176  -3.107  11.395
  754    HD2  PRO  96           HD2      PRO  96 -16.977  -1.480  11.433
  755    HD3  PRO  96           HD3      PRO  96 -17.616  -2.158   9.900
  756    H    ASP  97           H        ASP  97 -17.939   0.847  12.264
  757    HA   ASP  97           HA       ASP  97 -19.498   3.132  13.222
  758    HB2  ASP  97           HB2      ASP  97 -20.365   1.156  14.531
  759    HB3  ASP  97           HB3      ASP  97 -18.717   0.858  15.096
  760    H    SER  98           H        SER  98 -18.049   4.410  14.787
  761    HA   SER  98           HA       SER  98 -15.633   4.785  13.397
  762    HB2  SER  98           HB2      SER  98 -16.375   5.716  16.197
  763    HB3  SER  98           HB3      SER  98 -15.037   6.347  15.208
  764    HG   SER  98           HG       SER  98 -17.810   6.417  14.578
  765    H    HIS  99           H        HIS  99 -16.239   2.863  16.353
  766    HA   HIS  99           HA       HIS  99 -13.737   1.459  15.945
  767    HB2  HIS  99           HB2      HIS  99 -12.714   2.073  18.093
  768    HB3  HIS  99           HB3      HIS  99 -12.864   3.468  17.028
  769    HD2  HIS  99           HD2      HIS  99 -13.961   2.160  20.418
  770    HE1  HIS  99           HE1      HIS  99 -15.887   5.927  19.962
  771    HE2  HIS  99           HE2      HIS  99 -15.354   4.040  21.597
  772    H    HIS 100           H        HIS 100 -13.374  -0.104  17.890
  773    HA   HIS 100           HA       HIS 100 -15.958  -0.965  19.051
  774    HB2  HIS 100           HB2      HIS 100 -14.190  -2.744  17.332
  775    HB3  HIS 100           HB3      HIS 100 -15.677  -3.225  18.149
  776    HD2  HIS 100           HD2      HIS 100 -17.984  -2.627  16.979
  777    HE1  HIS 100           HE1      HIS 100 -16.422  -0.681  13.527
  778    HE2  HIS 100           HE2      HIS 100 -18.530  -1.629  14.620
  779    H    SER 101           H        SER 101 -12.910  -0.107  19.700
  780    HA   SER 101           HA       SER 101 -12.718  -1.847  22.056
  781    HB2  SER 101           HB2      SER 101 -10.337  -2.399  21.558
  782    HB3  SER 101           HB3      SER 101 -11.474  -3.135  20.403
  783    HG   SER 101           HG       SER 101 -10.029  -0.727  19.991
  784    H5'    U 102           H5'        U 102  -4.764  -6.367  12.477
  785   H5''    U 102          H5''        U 102  -3.108  -6.591  13.100
  786    H4'    U 102           H4'        U 102  -4.777  -4.182  13.887
  787    H3'    U 102           H3'        U 102  -2.995  -4.630  11.477
  788    H2'    U 102           H2'        U 102  -2.232  -2.388  11.724
  789   HO2'    U 102          HO2'        U 102  -4.331  -1.465  11.888
  790    H1'    U 102           H1'        U 102  -2.632  -2.349  14.547
  791    H3     U 102           H3         U 102   1.742  -4.398  12.217
  792    H5     U 102           H5         U 102   1.721  -1.360  15.119
  793    H6     U 102           H6         U 102  -0.714  -1.529  15.177
  794   HO5'    U 102          HO5'        U 102  -4.733  -7.622  14.405
  795    H5'    C 103           H5'        C 103  -5.902  -0.933   8.885
  796   H5''    C 103          H5''        C 103  -6.305  -1.131  10.603
  797    H4'    C 103           H4'        C 103  -8.137  -0.047   9.383
  798    H3'    C 103           H3'        C 103  -8.399  -2.254  11.075
  799    H2'    C 103           H2'        C 103  -8.959  -3.891   9.593
  800   HO2'    C 103          HO2'        C 103 -11.011  -3.363  10.580
  801    H1'    C 103           H1'        C 103 -10.238  -2.108   7.566
  802    H41    C 103           H41        C 103  -8.368  -6.761   3.675
  803    H42    C 103           H42        C 103  -7.344  -7.450   4.916
  804    H5     C 103           H5         C 103  -6.980  -6.390   7.074
  805    H6     C 103           H6         C 103  -7.574  -4.535   8.475
  806    H5'    C 104           H5'        C 104 -11.407   2.390  11.450
  807   H5''    C 104          H5''        C 104 -11.352   1.467   9.936
  808    H4'    C 104           H4'        C 104 -10.108   4.211  10.454
  809    H3'    C 104           H3'        C 104 -12.392   3.114   8.807
  810    H2'    C 104           H2'        C 104 -11.980   4.519   7.061
  811   HO2'    C 104          HO2'        C 104 -11.762   6.490   8.290
  812    H1'    C 104           H1'        C 104  -9.227   4.580   7.288
  813    H41    C 104           H41        C 104 -11.110   0.689   2.543
  814    H42    C 104           H42        C 104 -11.874  -0.419   3.671
  815    H5     C 104           H5         C 104 -11.929   0.006   6.103
  816    H6     C 104           H6         C 104 -11.306   1.589   7.828
  817    H5'    A 105           H5'        A 105 -16.329   6.670  11.459
  818   H5''    A 105          H5''        A 105 -15.491   7.586  10.197
  819    H4'    A 105           H4'        A 105 -14.972   8.012  12.690
  820    H3'    A 105           H3'        A 105 -13.134   8.297  10.492
  821    H2'    A 105           H2'        A 105 -11.675   6.703  11.412
  822   HO2'    A 105          HO2'        A 105 -10.555   8.658  11.775
  823    H1'    A 105           H1'        A 105 -12.917   7.479  14.102
  824    H8     A 105           H8         A 105 -11.151   4.640  12.211
  825    H61    A 105           H61        A 105  -8.862   3.099  17.789
  826    H62    A 105           H62        A 105  -8.866   2.674  16.089
  827    H2     A 105           H2         A 105 -11.585   6.551  18.290
  828    H5'    G 106           H5'        G 106 -11.429  11.686  11.386
  829   H5''    G 106          H5''        G 106 -12.623  12.992  11.424
  830    H4'    G 106           H4'        G 106 -11.079  13.740   9.839
  831    H3'    G 106           H3'        G 106 -13.483  12.439   8.610
  832    H2'    G 106           H2'        G 106 -12.711  12.383   6.505
  833   HO2'    G 106          HO2'        G 106 -11.078  14.580   7.237
  834    H1'    G 106           H1'        G 106  -9.976  12.240   6.991
  835    H8     G 106           H8         G 106 -12.837   9.954   8.414
  836    H1     G 106           H1         G 106  -9.302   7.580   3.604
  837    H21    G 106           H21        G 106  -7.734   9.031   3.050
  838    H22    G 106           H22        G 106  -7.572  10.578   3.869
  839    H5'    U 107           H5'        U 107 -14.259  18.037   8.086
  840   H5''    U 107          H5''        U 107 -14.949  16.424   7.823
  841    H4'    U 107           H4'        U 107 -15.730  17.816   6.049
  842    H3'    U 107           H3'        U 107 -14.399  15.446   5.519
  843   HO3'    U 107          HO3'        U 107 -16.294  16.263   4.476
  844    H2'    U 107           H2'        U 107 -12.288  16.503   5.116
  845   HO2'    U 107          HO2'        U 107 -13.739  16.354   2.668
  846    H1'    U 107           H1'        U 107 -13.819  18.551   3.516
  847    H3     U 107           H3         U 107 -10.371  21.764   5.152
  848    H5     U 107           H5         U 107  -8.800  18.423   3.165
  849    H6     U 107           H6         U 107 -10.990  17.398   3.260
  Start of MODEL   18
    1    H    MET   1           H1       MET   1  -1.650  20.860   6.774
    2    HA   MET   1           HA       MET   1  -1.580  18.175   5.593
    3    HB2  MET   1           HB2      MET   1   0.465  18.754   6.856
    4    HB3  MET   1           HB3      MET   1  -0.529  19.168   8.266
    5    HG2  MET   1           HG2      MET   1  -1.416  16.830   8.277
    6    HG3  MET   1           HG3      MET   1  -0.365  16.445   6.910
    7    HE1  MET   1           HE1      MET   1  -0.480  14.739   9.559
    8    HE2  MET   1           HE2      MET   1   0.601  14.366   8.196
    9    HE3  MET   1           HE3      MET   1   1.249  14.433   9.846
   10    H    SER   2           H        SER   2  -3.719  17.620   5.529
   11    HA   SER   2           HA       SER   2  -5.075  17.323   8.108
   12    HB2  SER   2           HB2      SER   2  -5.588  19.671   7.360
   13    HB3  SER   2           HB3      SER   2  -6.344  18.985   5.901
   14    HG   SER   2           HG       SER   2  -7.759  17.847   7.299
   15    H    TYR   3           H        TYR   3  -4.532  16.461   4.816
   16    HA   TYR   3           HA       TYR   3  -5.343  14.888   3.444
   17    HB2  TYR   3           HB2      TYR   3  -5.981  13.564   6.095
   18    HB3  TYR   3           HB3      TYR   3  -5.993  12.740   4.537
   19    HD1  TYR   3           HD2      TYR   3  -3.769  14.727   6.811
   20    HD2  TYR   3           HD1      TYR   3  -4.043  11.892   3.589
   21    HE1  TYR   3           HE2      TYR   3  -1.309  14.387   6.904
   22    HE2  TYR   3           HE1      TYR   3  -1.590  11.549   3.668
   23    HH   TYR   3           HH       TYR   3   0.382  12.171   4.654
   24    H    GLY   4           H        GLY   4  -7.458  13.153   3.390
   25    HA2  GLY   4           HA2      GLY   4  -9.955  14.605   3.844
   26    HA3  GLY   4           HA3      GLY   4  -9.409  14.620   2.161
   27    H    ARG   5           H        ARG   5 -11.793  13.562   2.742
   28    HA   ARG   5           HA       ARG   5 -11.913  10.815   3.307
   29    HB2  ARG   5           HB2      ARG   5 -14.085  11.126   1.804
   30    HB3  ARG   5           HB3      ARG   5 -13.953  11.770   3.457
   31    HG2  ARG   5           HG2      ARG   5 -15.002  13.393   1.992
   32    HG3  ARG   5           HG3      ARG   5 -13.435  14.003   2.529
   33    HD2  ARG   5           HD2      ARG   5 -13.675  14.440   0.159
   34    HD3  ARG   5           HD3      ARG   5 -12.420  13.213   0.406
   35    HE   ARG   5           HE       ARG   5 -13.756  11.589  -0.603
   36   HH11  ARG   5          HH11      ARG   5 -15.624  14.570  -0.211
   37   HH12  ARG   5          HH12      ARG   5 -16.921  14.013  -1.248
   38   HH21  ARG   5          HH21      ARG   5 -15.449  10.898  -1.906
   39   HH22  ARG   5          HH22      ARG   5 -16.826  11.935  -2.198
   40    HA   PRO   6           HA       PRO   6 -10.679   8.631  -0.296
   41    HB2  PRO   6           HB2      PRO   6 -12.498   6.572  -0.336
   42    HB3  PRO   6           HB3      PRO   6 -11.226   6.740   0.916
   43    HG2  PRO   6           HG2      PRO   6 -14.124   7.609   1.077
   44    HG3  PRO   6           HG3      PRO   6 -13.194   6.638   2.266
   45    HD2  PRO   6           HD2      PRO   6 -13.521   9.332   2.563
   46    HD3  PRO   6           HD3      PRO   6 -11.970   8.569   2.982
   47    HA   PRO   7           HA       PRO   7 -13.060   9.939  -3.750
   48    HB2  PRO   7           HB2      PRO   7 -12.848   7.896  -5.588
   49    HB3  PRO   7           HB3      PRO   7 -11.511   9.015  -5.155
   50    HG2  PRO   7           HG2      PRO   7 -12.038   6.234  -4.106
   51    HG3  PRO   7           HG3      PRO   7 -10.488   6.931  -4.665
   52    HD2  PRO   7           HD2      PRO   7 -11.144   6.796  -2.019
   53    HD3  PRO   7           HD3      PRO   7 -10.235   8.191  -2.675
   54    HA   PRO   8           HA       PRO   8 -17.128   8.371  -3.278
   55    HB2  PRO   8           HB2      PRO   8 -18.433   9.544  -5.350
   56    HB3  PRO   8           HB3      PRO   8 -17.618  10.525  -4.085
   57    HG2  PRO   8           HG2      PRO   8 -16.520   9.715  -6.797
   58    HG3  PRO   8           HG3      PRO   8 -16.602  11.360  -6.084
   59    HD2  PRO   8           HD2      PRO   8 -14.363   9.790  -5.916
   60    HD3  PRO   8           HD3      PRO   8 -14.847  10.898  -4.587
   61    H    ASP   9           H        ASP   9 -15.171   6.653  -5.089
   62    HA   ASP   9           HA       ASP   9 -17.342   5.165  -6.461
   63    HB2  ASP   9           HB2      ASP   9 -16.213   6.781  -8.025
   64    HB3  ASP   9           HB3      ASP   9 -14.702   5.896  -7.771
   65    H    VAL  10           H        VAL  10 -15.369   4.872  -4.029
   66    HA   VAL  10           HA       VAL  10 -13.700   2.643  -4.600
   67    HB   VAL  10           HB       VAL  10 -13.814   2.201  -2.161
   68   HG11  VAL  10          HG11      VAL  10 -12.788   4.317  -1.472
   69   HG12  VAL  10          HG12      VAL  10 -12.268   3.874  -3.108
   70   HG13  VAL  10          HG13      VAL  10 -13.496   5.145  -2.874
   71   HG21  VAL  10          HG21      VAL  10 -16.181   2.809  -1.751
   72   HG22  VAL  10          HG22      VAL  10 -15.086   3.713  -0.695
   73   HG23  VAL  10          HG23      VAL  10 -15.803   4.514  -2.108
   74    H    GLU  11           H        GLU  11 -17.136   2.857  -4.460
   75    HA   GLU  11           HA       GLU  11 -17.685   0.109  -3.726
   76    HB2  GLU  11           HB2      GLU  11 -19.940   0.664  -4.521
   77    HB3  GLU  11           HB3      GLU  11 -19.315   1.905  -3.409
   78    HG2  GLU  11           HG2      GLU  11 -18.722   3.339  -5.328
   79    HG3  GLU  11           HG3      GLU  11 -19.331   2.106  -6.448
   80    H    GLY  12           H        GLY  12 -16.314   1.481  -6.456
   81    HA2  GLY  12           HA2      GLY  12 -17.083  -0.854  -8.152
   82    HA3  GLY  12           HA3      GLY  12 -17.116   0.797  -8.795
   83    H    MET  13           H        MET  13 -14.590   0.009  -6.492
   84    HA   MET  13           HA       MET  13 -12.662  -0.653  -8.650
   85    HB2  MET  13           HB2      MET  13 -12.348   1.620  -6.647
   86    HB3  MET  13           HB3      MET  13 -11.066   1.009  -7.712
   87    HG2  MET  13           HG2      MET  13 -12.533   1.549  -9.673
   88    HG3  MET  13           HG3      MET  13 -13.675   2.317  -8.571
   89    HE1  MET  13           HE1      MET  13 -11.616   3.668  -6.446
   90    HE2  MET  13           HE2      MET  13 -11.550   5.304  -7.125
   91    HE3  MET  13           HE3      MET  13 -13.101   4.432  -7.070
   92    H    THR  14           H        THR  14 -10.561  -1.372  -7.749
   93    HA   THR  14           HA       THR  14 -10.981  -3.197  -5.520
   94    HB   THR  14           HB       THR  14  -9.671  -3.769  -7.552
   95   HG21  THR  14          HG21      THR  14  -8.540  -1.610  -7.922
   96   HG22  THR  14          HG22      THR  14  -7.623  -1.822  -6.409
   97   HG23  THR  14          HG23      THR  14  -7.363  -2.933  -7.767
   98    H    SER  15           H        SER  15  -8.976  -3.322  -3.915
   99    HA   SER  15           HA       SER  15  -8.103  -0.654  -2.984
  100    HB2  SER  15           HB2      SER  15  -9.781  -2.605  -1.362
  101    HB3  SER  15           HB3      SER  15  -8.866  -1.258  -0.657
  102    HG   SER  15           HG       SER  15 -10.906  -1.050  -2.625
  103    H    LEU  16           H        LEU  16  -6.095  -0.743  -2.112
  104    HA   LEU  16           HA       LEU  16  -4.979  -3.414  -1.375
  105    HB2  LEU  16           HB2      LEU  16  -4.428  -2.767  -3.694
  106    HB3  LEU  16           HB3      LEU  16  -3.644  -1.297  -3.101
  107    HG   LEU  16           HG       LEU  16  -2.282  -3.441  -3.762
  108   HD11  LEU  16          HD11      LEU  16  -1.556  -1.943  -1.235
  109   HD12  LEU  16          HD12      LEU  16  -0.465  -2.762  -2.380
  110   HD13  LEU  16          HD13      LEU  16  -1.348  -1.325  -2.896
  111   HD21  LEU  16          HD21      LEU  16  -3.497  -4.954  -2.177
  112   HD22  LEU  16          HD22      LEU  16  -1.731  -4.938  -1.997
  113   HD23  LEU  16          HD23      LEU  16  -2.745  -4.047  -0.836
  114    H    LYS  17           H        LYS  17  -5.069  -2.993   0.817
  115    HA   LYS  17           HA       LYS  17  -4.256  -0.555   2.065
  116    HB2  LYS  17           HB2      LYS  17  -5.810  -1.775   3.212
  117    HB3  LYS  17           HB3      LYS  17  -4.977  -3.331   2.966
  118    HG2  LYS  17           HG2      LYS  17  -3.336  -2.753   4.648
  119    HG3  LYS  17           HG3      LYS  17  -4.003  -1.096   4.796
  120    HD2  LYS  17           HD2      LYS  17  -6.152  -2.004   5.550
  121    HD3  LYS  17           HD3      LYS  17  -5.575  -3.655   5.279
  122    HE2  LYS  17           HE2      LYS  17  -5.510  -3.158   7.641
  123    HE3  LYS  17           HE3      LYS  17  -3.855  -3.340   7.044
  124    HZ1  LYS  17           HZ1      LYS  17  -5.236  -0.772   7.479
  125    HZ2  LYS  17           HZ2      LYS  17  -4.155  -1.456   8.513
  126    HZ3  LYS  17           HZ3      LYS  17  -3.663  -0.951   7.033
  127    H    VAL  18           H        VAL  18  -2.511  -0.183   3.439
  128    HA   VAL  18           HA       VAL  18  -0.104  -1.930   3.258
  129    HB   VAL  18           HB       VAL  18  -0.322   1.078   2.917
  130   HG11  VAL  18          HG11      VAL  18   1.632   0.503   4.273
  131   HG12  VAL  18          HG12      VAL  18   2.189  -0.630   3.015
  132   HG13  VAL  18          HG13      VAL  18   2.102   1.130   2.694
  133   HG21  VAL  18          HG21      VAL  18   0.733  -0.984   0.932
  134   HG22  VAL  18          HG22      VAL  18  -0.831  -0.143   0.825
  135   HG23  VAL  18          HG23      VAL  18   0.681   0.776   0.693
  136    H    ASP  19           H        ASP  19   0.918  -2.088   5.248
  137    HA   ASP  19           HA       ASP  19   0.326  -0.213   7.415
  138    HB2  ASP  19           HB2      ASP  19  -0.757  -1.875   8.841
  139    HB3  ASP  19           HB3      ASP  19  -1.670  -1.663   7.344
  140    H    ASN  20           H        ASN  20   1.180  -1.156   9.551
  141    HA   ASN  20           HA       ASN  20   2.600  -2.222  10.893
  142    HB2  ASN  20           HB2      ASN  20   2.503  -4.132   9.054
  143    HB3  ASN  20           HB3      ASN  20   4.147  -3.582   8.715
  144   HD21  ASN  20          HD22      ASN  20   5.781  -4.212  10.136
  145   HD22  ASN  20          HD21      ASN  20   5.485  -5.156  11.584
  146    H    LEU  21           H        LEU  21   3.298   0.314   9.091
  147    HA   LEU  21           HA       LEU  21   6.110   0.498   8.977
  148    HB2  LEU  21           HB2      LEU  21   5.725   2.924   8.956
  149    HB3  LEU  21           HB3      LEU  21   4.605   2.082   7.872
  150    HG   LEU  21           HG       LEU  21   3.567   2.360  10.640
  151   HD11  LEU  21          HD11      LEU  21   3.061   4.781  10.411
  152   HD12  LEU  21          HD12      LEU  21   4.788   4.446  10.602
  153   HD13  LEU  21          HD13      LEU  21   4.135   4.850   8.988
  154   HD21  LEU  21          HD21      LEU  21   1.612   3.185   9.394
  155   HD22  LEU  21          HD22      LEU  21   2.556   3.155   7.884
  156   HD23  LEU  21          HD23      LEU  21   2.196   1.636   8.736
  157    H    THR  22           H        THR  22   7.302   2.300  10.299
  158    HA   THR  22           HA       THR  22   7.415   1.289  13.019
  159    HB   THR  22           HB       THR  22   9.359   2.740  13.252
  160   HG21  THR  22          HG21      THR  22   9.678   0.653  11.987
  161   HG22  THR  22          HG22      THR  22   9.301   1.509  10.469
  162   HG23  THR  22          HG23      THR  22  10.753   1.938  11.402
  163    H    TYR  23           H        TYR  23   7.717   2.858  14.869
  164    HA   TYR  23           HA       TYR  23   5.425   4.630  15.058
  165    HB2  TYR  23           HB2      TYR  23   6.233   4.960  17.361
  166    HB3  TYR  23           HB3      TYR  23   6.147   3.250  16.943
  167    HD1  TYR  23           HD1      TYR  23   8.184   1.912  16.622
  168    HD2  TYR  23           HD2      TYR  23   8.353   6.034  17.811
  169    HE1  TYR  23           HE1      TYR  23  10.561   1.616  17.275
  170    HE2  TYR  23           HE2      TYR  23  10.736   5.755  18.465
  171    HH   TYR  23           HH       TYR  23  12.447   2.615  18.127
  172    H    ARG  24           H        ARG  24   8.014   5.130  13.267
  173    HA   ARG  24           HA       ARG  24   8.373   7.979  14.089
  174    HB2  ARG  24           HB2      ARG  24  10.415   6.017  12.990
  175    HB3  ARG  24           HB3      ARG  24  10.716   7.742  13.242
  176    HG2  ARG  24           HG2      ARG  24  10.056   5.701  15.401
  177    HG3  ARG  24           HG3      ARG  24  11.652   6.398  15.068
  178    HD2  ARG  24           HD2      ARG  24   9.186   7.954  15.932
  179    HD3  ARG  24           HD3      ARG  24  10.544   7.494  16.982
  180    HE   ARG  24           HE       ARG  24  11.664   8.891  14.826
  181   HH11  ARG  24          HH11      ARG  24   9.381   9.549  17.450
  182   HH12  ARG  24          HH12      ARG  24   9.795  11.243  17.546
  183   HH21  ARG  24          HH21      ARG  24  12.167  11.111  14.961
  184   HH22  ARG  24          HH22      ARG  24  11.367  12.124  16.141
  185    H    THR  25           H        THR  25   7.622   5.701  11.568
  186    HA   THR  25           HA       THR  25   8.084   7.539   9.355
  187    HB   THR  25           HB       THR  25   6.372   5.033   9.583
  188   HG21  THR  25          HG21      THR  25   7.393   6.586   7.166
  189   HG22  THR  25          HG22      THR  25   6.736   4.938   7.094
  190   HG23  THR  25          HG23      THR  25   5.690   6.274   7.600
  191    H    SER  26           H        SER  26   6.091   8.259   7.986
  192    HA   SER  26           HA       SER  26   3.847   9.112   9.741
  193    HB2  SER  26           HB2      SER  26   5.649  10.927   8.086
  194    HB3  SER  26           HB3      SER  26   4.158  11.444   8.901
  195    HG   SER  26           HG       SER  26   6.045  11.826  10.148
  196    HA   PRO  27           HA       PRO  27   1.486   8.421   6.081
  197    HB2  PRO  27           HB2      PRO  27  -0.462  10.349   6.137
  198    HB3  PRO  27           HB3      PRO  27  -0.413   8.973   7.280
  199    HG2  PRO  27           HG2      PRO  27   0.592  11.794   7.723
  200    HG3  PRO  27           HG3      PRO  27  -0.423  10.794   8.809
  201    HD2  PRO  27           HD2      PRO  27   2.278  11.010   9.141
  202    HD3  PRO  27           HD3      PRO  27   1.431   9.467   9.454
  203    H    ASP  28           H        ASP  28   3.134  11.482   6.552
  204    HA   ASP  28           HA       ASP  28   2.636  12.575   3.930
  205    HB2  ASP  28           HB2      ASP  28   4.988  12.941   5.833
  206    HB3  ASP  28           HB3      ASP  28   4.625  13.963   4.436
  207    H    THR  29           H        THR  29   5.212  10.470   5.357
  208    HA   THR  29           HA       THR  29   6.719  10.338   2.905
  209    HB   THR  29           HB       THR  29   7.336   7.977   4.035
  210   HG21  THR  29          HG21      THR  29   9.120   9.175   5.283
  211   HG22  THR  29          HG22      THR  29   8.896   9.830   3.646
  212   HG23  THR  29          HG23      THR  29   8.235  10.705   5.051
  213    H    LEU  30           H        LEU  30   4.244   8.171   4.420
  214    HA   LEU  30           HA       LEU  30   4.498   6.167   2.463
  215    HB2  LEU  30           HB2      LEU  30   2.001   6.879   4.022
  216    HB3  LEU  30           HB3      LEU  30   2.382   5.335   3.231
  217    HG   LEU  30           HG       LEU  30   4.199   6.506   5.367
  218   HD11  LEU  30          HD11      LEU  30   1.875   6.251   6.250
  219   HD12  LEU  30          HD12      LEU  30   1.885   4.552   5.727
  220   HD13  LEU  30          HD13      LEU  30   3.011   5.110   6.996
  221   HD21  LEU  30          HD21      LEU  30   5.129   4.718   3.937
  222   HD22  LEU  30          HD22      LEU  30   4.883   4.142   5.595
  223   HD23  LEU  30          HD23      LEU  30   3.732   3.682   4.322
  224    H    ARG  31           H        ARG  31   2.775   9.267   2.329
  225    HA   ARG  31           HA       ARG  31   1.160   8.605   0.031
  226    HB2  ARG  31           HB2      ARG  31   0.590  10.463   1.482
  227    HB3  ARG  31           HB3      ARG  31   2.175  11.214   1.230
  228    HG2  ARG  31           HG2      ARG  31   0.410  12.352  -0.041
  229    HG3  ARG  31           HG3      ARG  31   1.651  11.673  -1.097
  230    HD2  ARG  31           HD2      ARG  31   0.172   9.734  -1.585
  231    HD3  ARG  31           HD3      ARG  31  -1.054  10.395  -0.490
  232    HE   ARG  31           HE       ARG  31  -1.740  11.823  -2.137
  233   HH11  ARG  31          HH11      ARG  31   1.508  10.684  -2.929
  234   HH12  ARG  31          HH12      ARG  31   1.568  11.545  -4.452
  235   HH21  ARG  31          HH21      ARG  31  -1.647  12.904  -4.157
  236   HH22  ARG  31          HH22      ARG  31  -0.227  12.745  -5.169
  237    H    ARG  32           H        ARG  32   4.445   9.987   0.438
  238    HA   ARG  32           HA       ARG  32   4.677  10.394  -2.478
  239    HB2  ARG  32           HB2      ARG  32   5.577  12.026  -0.837
  240    HB3  ARG  32           HB3      ARG  32   6.649  10.776  -0.179
  241    HG2  ARG  32           HG2      ARG  32   7.749  10.557  -2.397
  242    HG3  ARG  32           HG3      ARG  32   6.692  11.839  -3.035
  243    HD2  ARG  32           HD2      ARG  32   7.578  13.400  -1.329
  244    HD3  ARG  32           HD3      ARG  32   8.623  12.103  -0.697
  245    HE   ARG  32           HE       ARG  32   9.153  12.381  -3.467
  246   HH11  ARG  32          HH11      ARG  32   9.551  14.206  -0.465
  247   HH12  ARG  32          HH12      ARG  32  10.975  15.050  -1.032
  248   HH21  ARG  32          HH21      ARG  32  11.007  13.504  -4.184
  249   HH22  ARG  32          HH22      ARG  32  11.792  14.650  -3.124
  250    H    VAL  33           H        VAL  33   6.113   8.270   0.017
  251    HA   VAL  33           HA       VAL  33   7.974   6.987  -1.732
  252    HB   VAL  33           HB       VAL  33   8.307   5.429   0.130
  253   HG11  VAL  33          HG11      VAL  33   8.763   6.979   1.937
  254   HG12  VAL  33          HG12      VAL  33   9.263   7.645   0.370
  255   HG13  VAL  33          HG13      VAL  33   7.786   8.239   1.149
  256   HG21  VAL  33          HG21      VAL  33   6.753   5.696   2.143
  257   HG22  VAL  33          HG22      VAL  33   5.610   6.392   0.948
  258   HG23  VAL  33          HG23      VAL  33   6.220   4.735   0.747
  259    H    PHE  34           H        PHE  34   4.522   6.442  -1.121
  260    HA   PHE  34           HA       PHE  34   4.644   3.959  -2.736
  261    HB2  PHE  34           HB2      PHE  34   2.487   5.273  -1.096
  262    HB3  PHE  34           HB3      PHE  34   2.101   4.069  -2.298
  263    HD1  PHE  34           HD1      PHE  34   4.008   4.570   0.863
  264    HD2  PHE  34           HD2      PHE  34   2.444   1.779  -1.998
  265    HE1  PHE  34           HE1      PHE  34   4.633   2.691   2.355
  266    HE2  PHE  34           HE2      PHE  34   3.026  -0.108  -0.472
  267    HZ   PHE  34           HZ       PHE  34   4.149   0.352   1.677
  268    H    GLU  35           H        GLU  35   4.021   7.362  -3.153
  269    HA   GLU  35           HA       GLU  35   2.186   7.369  -5.261
  270    HB2  GLU  35           HB2      GLU  35   3.132   9.390  -4.152
  271    HB3  GLU  35           HB3      GLU  35   4.684   9.089  -4.971
  272    HG2  GLU  35           HG2      GLU  35   3.564   9.362  -7.163
  273    HG3  GLU  35           HG3      GLU  35   2.023   9.643  -6.326
  274    H    LYS  36           H        LYS  36   5.561   6.334  -5.291
  275    HA   LYS  36           HA       LYS  36   5.928   6.561  -8.135
  276    HB2  LYS  36           HB2      LYS  36   8.036   5.529  -7.739
  277    HB3  LYS  36           HB3      LYS  36   7.671   6.571  -6.343
  278    HG2  LYS  36           HG2      LYS  36   6.938   4.596  -5.050
  279    HG3  LYS  36           HG3      LYS  36   7.295   3.547  -6.435
  280    HD2  LYS  36           HD2      LYS  36   9.133   3.457  -4.845
  281    HD3  LYS  36           HD3      LYS  36   9.674   4.233  -6.341
  282    HE2  LYS  36           HE2      LYS  36   9.389   6.457  -5.299
  283    HE3  LYS  36           HE3      LYS  36   8.792   5.693  -3.815
  284    HZ1  LYS  36           HZ1      LYS  36  11.123   6.262  -3.665
  285    HZ2  LYS  36           HZ2      LYS  36  10.928   4.635  -3.579
  286    HZ3  LYS  36           HZ3      LYS  36  11.481   5.323  -4.967
  287    H    TYR  37           H        TYR  37   4.427   4.155  -6.129
  288    HA   TYR  37           HA       TYR  37   4.745   1.987  -8.085
  289    HB2  TYR  37           HB2      TYR  37   3.109   2.241  -5.532
  290    HB3  TYR  37           HB3      TYR  37   3.241   0.768  -6.501
  291    HD1  TYR  37           HD2      TYR  37   5.185   3.182  -4.465
  292    HD2  TYR  37           HD1      TYR  37   5.100  -0.685  -6.336
  293    HE1  TYR  37           HE2      TYR  37   7.262   2.577  -3.268
  294    HE2  TYR  37           HE1      TYR  37   7.170  -1.315  -5.137
  295    HH   TYR  37           HH       TYR  37   8.822  -0.638  -3.707
  296    H    GLY  38           H        GLY  38   2.584   4.668  -7.587
  297    HA2  GLY  38           HA2      GLY  38   1.145   4.717  -9.777
  298    HA3  GLY  38           HA3      GLY  38   0.396   3.297  -9.030
  299    H    ARG  39           H        ARG  39  -1.504   4.497  -9.090
  300    HA   ARG  39           HA       ARG  39  -1.994   6.949  -7.766
  301    HB2  ARG  39           HB2      ARG  39  -4.314   6.496  -8.154
  302    HB3  ARG  39           HB3      ARG  39  -3.362   5.987  -9.551
  303    HG2  ARG  39           HG2      ARG  39  -3.440   3.602  -8.420
  304    HG3  ARG  39           HG3      ARG  39  -4.808   4.290  -7.515
  305    HD2  ARG  39           HD2      ARG  39  -5.759   3.257  -9.403
  306    HD3  ARG  39           HD3      ARG  39  -5.780   5.003  -9.744
  307    HE   ARG  39           HE       ARG  39  -3.432   3.527 -10.721
  308   HH11  ARG  39          HH11      ARG  39  -6.665   4.730 -11.502
  309   HH12  ARG  39          HH12      ARG  39  -6.384   4.685 -13.227
  310   HH21  ARG  39          HH21      ARG  39  -3.100   3.480 -12.962
  311   HH22  ARG  39          HH22      ARG  39  -4.374   3.965 -14.059
  312    H    VAL  40           H        VAL  40  -0.998   6.886  -5.769
  313    HA   VAL  40           HA       VAL  40  -1.952   5.283  -3.566
  314    HB   VAL  40           HB       VAL  40   0.199   6.248  -3.552
  315   HG11  VAL  40          HG11      VAL  40  -1.111   8.987  -3.699
  316   HG12  VAL  40          HG12      VAL  40   0.625   8.662  -3.488
  317   HG13  VAL  40          HG13      VAL  40  -0.185   8.188  -4.995
  318   HG21  VAL  40          HG21      VAL  40  -1.388   7.809  -1.460
  319   HG22  VAL  40          HG22      VAL  40  -1.060   6.064  -1.381
  320   HG23  VAL  40          HG23      VAL  40   0.283   7.228  -1.374
  321    H    GLY  41           H        GLY  41  -4.158   5.812  -4.821
  322    HA2  GLY  41           HA2      GLY  41  -5.497   8.281  -4.615
  323    HA3  GLY  41           HA3      GLY  41  -6.267   6.693  -4.806
  324    H    ASP  42           H        ASP  42  -4.670   6.195  -2.034
  325    HA   ASP  42           HA       ASP  42  -6.347   7.789  -0.206
  326    HB2  ASP  42           HB2      ASP  42  -6.714   4.907  -0.835
  327    HB3  ASP  42           HB3      ASP  42  -6.562   5.271   0.890
  328    H    VAL  43           H        VAL  43  -5.428   8.012   1.781
  329    HA   VAL  43           HA       VAL  43  -3.204   6.335   2.660
  330    HB   VAL  43           HB       VAL  43  -1.870   7.766   1.380
  331   HG11  VAL  43          HG11      VAL  43  -3.521  10.123   2.360
  332   HG12  VAL  43          HG12      VAL  43  -1.995  10.243   1.456
  333   HG13  VAL  43          HG13      VAL  43  -3.402   9.472   0.707
  334   HG21  VAL  43          HG21      VAL  43  -1.898   9.006   4.153
  335   HG22  VAL  43          HG22      VAL  43  -1.089   7.486   3.706
  336   HG23  VAL  43          HG23      VAL  43  -0.557   9.014   2.987
  337    H    TYR  44           H        TYR  44  -4.049   5.787   4.571
  338    HA   TYR  44           HA       TYR  44  -4.997   7.972   6.357
  339    HB2  TYR  44           HB2      TYR  44  -6.892   6.852   5.134
  340    HB3  TYR  44           HB3      TYR  44  -6.496   5.382   6.034
  341    HD1  TYR  44           HD2      TYR  44  -7.154   9.043   6.539
  342    HD2  TYR  44           HD1      TYR  44  -7.464   5.071   8.156
  343    HE1  TYR  44           HE2      TYR  44  -8.377   9.945   8.502
  344    HE2  TYR  44           HE1      TYR  44  -8.713   5.962  10.109
  345    HH   TYR  44           HH       TYR  44  -9.501   7.830  11.166
  346    H    ILE  45           H        ILE  45  -5.186   7.245   8.612
  347    HA   ILE  45           HA       ILE  45  -3.550   4.890   9.356
  348    HB   ILE  45           HB       ILE  45  -3.030   7.738  10.246
  349   HG12  ILE  45          HG12      ILE  45  -1.275   5.536   9.073
  350   HG13  ILE  45          HG13      ILE  45  -1.888   6.942   8.178
  351   HG21  ILE  45          HG21      ILE  45  -3.102   6.250  12.229
  352   HG22  ILE  45          HG22      ILE  45  -2.015   5.108  11.411
  353   HG23  ILE  45          HG23      ILE  45  -1.436   6.723  11.874
  354   HD11  ILE  45          HD11      ILE  45  -0.644   8.434   9.774
  355   HD12  ILE  45          HD12      ILE  45   0.083   6.977  10.501
  356   HD13  ILE  45          HD13      ILE  45   0.399   7.372   8.803
  357    HA   PRO  46           HA       PRO  46  -7.591   4.753  11.417
  358    HB2  PRO  46           HB2      PRO  46  -6.438   2.025  11.941
  359    HB3  PRO  46           HB3      PRO  46  -8.094   2.461  11.427
  360    HG2  PRO  46           HG2      PRO  46  -6.348   1.507   9.600
  361    HG3  PRO  46           HG3      PRO  46  -7.359   2.935   9.200
  362    HD2  PRO  46           HD2      PRO  46  -4.486   2.906  10.143
  363    HD3  PRO  46           HD3      PRO  46  -5.224   3.811   8.786
  364    H    ARG  47           H        ARG  47  -4.910   5.593  12.819
  365    HA   ARG  47           HA       ARG  47  -4.718   4.558  15.403
  366    HB2  ARG  47           HB2      ARG  47  -4.392   7.279  14.157
  367    HB3  ARG  47           HB3      ARG  47  -4.342   7.157  15.927
  368    HG2  ARG  47           HG2      ARG  47  -2.506   5.662  15.902
  369    HG3  ARG  47           HG3      ARG  47  -2.691   5.335  14.168
  370    HD2  ARG  47           HD2      ARG  47  -0.921   6.803  14.078
  371    HD3  ARG  47           HD3      ARG  47  -2.268   7.932  13.910
  372    HE   ARG  47           HE       ARG  47  -1.533   7.545  16.685
  373   HH11  ARG  47          HH11      ARG  47  -0.545   9.208  13.729
  374   HH12  ARG  47          HH12      ARG  47   0.339  10.448  14.592
  375   HH21  ARG  47          HH21      ARG  47  -0.369   9.135  17.774
  376   HH22  ARG  47          HH22      ARG  47   0.398  10.434  16.890
  377    H    ASP  48           H        ASP  48  -5.744   4.875  17.360
  378    HA   ASP  48           HA       ASP  48  -8.542   5.103  17.371
  379    HB2  ASP  48           HB2      ASP  48  -6.505   5.596  19.578
  380    HB3  ASP  48           HB3      ASP  48  -8.257   5.448  19.835
  381    H    ARG  49           H        ARG  49  -9.902   6.688  17.249
  382    HA   ARG  49           HA       ARG  49  -9.124   9.260  16.403
  383    HB2  ARG  49           HB2      ARG  49 -11.103   7.959  15.738
  384    HB3  ARG  49           HB3      ARG  49 -11.810   8.177  17.339
  385    HG2  ARG  49           HG2      ARG  49 -12.099  10.553  16.966
  386    HG3  ARG  49           HG3      ARG  49 -11.120  10.480  15.466
  387    HD2  ARG  49           HD2      ARG  49 -12.745   8.992  14.445
  388    HD3  ARG  49           HD3      ARG  49 -13.687   8.912  15.942
  389    HE   ARG  49           HE       ARG  49 -13.494  11.202  14.055
  390   HH11  ARG  49          HH11      ARG  49 -14.896   9.835  17.004
  391   HH12  ARG  49          HH12      ARG  49 -16.234  10.963  17.017
  392   HH21  ARG  49          HH21      ARG  49 -15.220  12.646  14.113
  393   HH22  ARG  49          HH22      ARG  49 -16.412  12.563  15.398
  394    H    TYR  50           H        TYR  50  -8.688   8.303  19.486
  395    HA   TYR  50           HA       TYR  50  -9.319  11.003  20.561
  396    HB2  TYR  50           HB2      TYR  50 -10.057   8.552  22.145
  397    HB3  TYR  50           HB3      TYR  50 -10.574  10.222  22.387
  398    HD1  TYR  50           HD2      TYR  50 -12.157  11.217  20.545
  399    HD2  TYR  50           HD1      TYR  50 -11.337   7.031  21.022
  400    HE1  TYR  50           HE2      TYR  50 -14.208  10.677  19.249
  401    HE2  TYR  50           HE1      TYR  50 -13.393   6.469  19.756
  402    HH   TYR  50           HH       TYR  50 -15.203   7.294  18.596
  403    H    THR  51           H        THR  51  -7.165   8.366  20.342
  404    HA   THR  51           HA       THR  51  -5.588   9.445  22.622
  405    HB   THR  51           HB       THR  51  -5.112   7.241  23.461
  406   HG21  THR  51          HG21      THR  51  -8.120   7.420  22.981
  407   HG22  THR  51          HG22      THR  51  -7.296   6.555  24.297
  408   HG23  THR  51          HG23      THR  51  -7.242   8.332  24.234
  409    H    LYS  52           H        LYS  52  -5.755   7.900  19.464
  410    HA   LYS  52           HA       LYS  52  -4.309   7.440  17.906
  411    HB2  LYS  52           HB2      LYS  52  -3.023   9.983  18.970
  412    HB3  LYS  52           HB3      LYS  52  -2.795   9.320  17.342
  413    HG2  LYS  52           HG2      LYS  52  -5.235   9.537  16.905
  414    HG3  LYS  52           HG3      LYS  52  -5.451  10.242  18.522
  415    HD2  LYS  52           HD2      LYS  52  -3.895  12.080  17.917
  416    HD3  LYS  52           HD3      LYS  52  -3.715  11.379  16.290
  417    HE2  LYS  52           HE2      LYS  52  -6.152  11.615  15.929
  418    HE3  LYS  52           HE3      LYS  52  -6.325  12.314  17.549
  419    HZ1  LYS  52           HZ1      LYS  52  -6.200  14.008  15.860
  420    HZ2  LYS  52           HZ2      LYS  52  -4.893  14.108  16.848
  421    HZ3  LYS  52           HZ3      LYS  52  -4.739  13.458  15.344
  422    H    GLU  53           H        GLU  53  -3.556   6.176  20.505
  423    HA   GLU  53           HA       GLU  53  -0.663   6.272  20.704
  424    HB2  GLU  53           HB2      GLU  53  -0.990   4.676  22.516
  425    HB3  GLU  53           HB3      GLU  53  -2.108   6.046  22.658
  426    HG2  GLU  53           HG2      GLU  53  -3.912   4.664  21.643
  427    HG3  GLU  53           HG3      GLU  53  -2.793   3.302  21.522
  428    H    SER  54           H        SER  54  -1.864   5.247  18.098
  429    HA   SER  54           HA       SER  54  -0.621   2.533  18.117
  430    HB2  SER  54           HB2      SER  54  -3.296   3.239  16.867
  431    HB3  SER  54           HB3      SER  54  -2.513   1.641  16.868
  432    HG   SER  54           HG       SER  54  -4.118   1.965  18.532
  433    H    ARG  55           H        ARG  55   0.579   4.947  17.183
  434    HA   ARG  55           HA       ARG  55   0.372   5.370  14.387
  435    HB2  ARG  55           HB2      ARG  55   1.461   6.851  16.070
  436    HB3  ARG  55           HB3      ARG  55   2.769   5.667  16.247
  437    HG2  ARG  55           HG2      ARG  55   3.448   6.004  13.918
  438    HG3  ARG  55           HG3      ARG  55   2.062   7.091  13.650
  439    HD2  ARG  55           HD2      ARG  55   2.957   8.659  15.312
  440    HD3  ARG  55           HD3      ARG  55   4.290   7.544  15.676
  441    HE   ARG  55           HE       ARG  55   4.317   8.114  12.886
  442   HH11  ARG  55          HH11      ARG  55   4.934   9.694  15.987
  443   HH12  ARG  55          HH12      ARG  55   6.069  10.841  15.314
  444   HH21  ARG  55          HH21      ARG  55   5.805   9.618  12.033
  445   HH22  ARG  55          HH22      ARG  55   6.579  10.778  13.083
  446    H    GLY  56           H        GLY  56   1.320   2.501  15.876
  447    HA2  GLY  56           HA2      GLY  56   3.612   1.780  14.346
  448    HA3  GLY  56           HA3      GLY  56   2.583   0.695  15.273
  449    H    PHE  57           H        PHE  57   0.603   2.338  12.985
  450    HA   PHE  57           HA       PHE  57   1.297   0.676  10.702
  451    HB2  PHE  57           HB2      PHE  57  -0.588  -0.736  10.687
  452    HB3  PHE  57           HB3      PHE  57   0.040  -0.862  12.331
  453    HD1  PHE  57           HD2      PHE  57  -1.102   0.483  14.179
  454    HD2  PHE  57           HD1      PHE  57  -2.732   0.055  10.226
  455    HE1  PHE  57           HE2      PHE  57  -3.319   1.231  15.004
  456    HE2  PHE  57           HE1      PHE  57  -4.925   0.810  11.032
  457    HZ   PHE  57           HZ       PHE  57  -5.236   1.384  13.455
  458    H    ALA  58           H        ALA  58  -0.607   0.796   9.055
  459    HA   ALA  58           HA       ALA  58  -2.025   3.367   9.084
  460    HB1  ALA  58           HB1      ALA  58  -0.982   4.050   6.903
  461    HB2  ALA  58           HB2      ALA  58   0.164   4.051   8.241
  462    HB3  ALA  58           HB3      ALA  58   0.162   2.701   7.062
  463    H    PHE  59           H        PHE  59  -2.821   3.592   6.597
  464    HA   PHE  59           HA       PHE  59  -3.814   1.047   5.472
  465    HB2  PHE  59           HB2      PHE  59  -5.301   1.966   7.372
  466    HB3  PHE  59           HB3      PHE  59  -5.725   3.257   6.255
  467    HD1  PHE  59           HD2      PHE  59  -5.590   1.227   3.740
  468    HD2  PHE  59           HD1      PHE  59  -7.547   1.227   7.572
  469    HE1  PHE  59           HE2      PHE  59  -7.342  -0.281   2.850
  470    HE2  PHE  59           HE1      PHE  59  -9.303  -0.254   6.672
  471    HZ   PHE  59           HZ       PHE  59  -9.189  -1.038   4.310
  472    H    VAL  60           H        VAL  60  -1.906   2.396   4.173
  473    HA   VAL  60           HA       VAL  60  -3.045   4.441   2.407
  474    HB   VAL  60           HB       VAL  60  -0.702   2.575   1.804
  475   HG11  VAL  60          HG11      VAL  60  -1.430   5.318   0.741
  476   HG12  VAL  60          HG12      VAL  60   0.030   4.387   0.346
  477   HG13  VAL  60          HG13      VAL  60  -1.552   3.764  -0.142
  478   HG21  VAL  60          HG21      VAL  60  -0.301   3.760   3.944
  479   HG22  VAL  60          HG22      VAL  60   0.738   4.360   2.641
  480   HG23  VAL  60          HG23      VAL  60  -0.683   5.314   3.146
  481    H    ARG  61           H        ARG  61  -3.899   4.073   0.243
  482    HA   ARG  61           HA       ARG  61  -4.359   1.226  -0.427
  483    HB2  ARG  61           HB2      ARG  61  -6.329   1.490   0.703
  484    HB3  ARG  61           HB3      ARG  61  -6.457   3.212   0.335
  485    HG2  ARG  61           HG2      ARG  61  -7.044   2.716  -1.997
  486    HG3  ARG  61           HG3      ARG  61  -6.833   0.972  -1.691
  487    HD2  ARG  61           HD2      ARG  61  -9.220   1.723  -1.726
  488    HD3  ARG  61           HD3      ARG  61  -8.737   0.943  -0.222
  489    HE   ARG  61           HE       ARG  61  -9.203   3.870  -0.616
  490   HH11  ARG  61          HH11      ARG  61  -8.629   1.113   1.526
  491   HH12  ARG  61          HH12      ARG  61  -9.136   1.982   2.957
  492   HH21  ARG  61          HH21      ARG  61  -9.825   4.976   1.295
  493   HH22  ARG  61          HH22      ARG  61  -9.795   4.132   2.835
  494    H    PHE  62           H        PHE  62  -4.505   0.734  -2.482
  495    HA   PHE  62           HA       PHE  62  -4.417   2.935  -4.512
  496    HB2  PHE  62           HB2      PHE  62  -3.580   0.018  -4.722
  497    HB3  PHE  62           HB3      PHE  62  -3.562   1.178  -6.038
  498    HD1  PHE  62           HD2      PHE  62  -2.203   0.767  -2.541
  499    HD2  PHE  62           HD1      PHE  62  -1.628   2.346  -6.503
  500    HE1  PHE  62           HE2      PHE  62   0.063   1.494  -1.908
  501    HE2  PHE  62           HE1      PHE  62   0.676   3.039  -5.882
  502    HZ   PHE  62           HZ       PHE  62   1.530   2.603  -3.615
  503    H    HIS  63           H        HIS  63  -5.604   2.454  -6.549
  504    HA   HIS  63           HA       HIS  63  -8.120   0.960  -5.993
  505    HB2  HIS  63           HB2      HIS  63  -7.800   3.673  -7.314
  506    HB3  HIS  63           HB3      HIS  63  -9.315   2.783  -7.141
  507    HD2  HIS  63           HD2      HIS  63  -6.679   4.629  -4.983
  508    HE1  HIS  63           HE1      HIS  63 -10.207   4.273  -2.642
  509    HE2  HIS  63           HE2      HIS  63  -7.898   5.305  -2.751
  510    H    ASP  64           H        ASP  64  -5.500   0.545  -7.758
  511    HA   ASP  64           HA       ASP  64  -7.111  -0.532  -9.996
  512    HB2  ASP  64           HB2      ASP  64  -6.193   1.625 -10.774
  513    HB3  ASP  64           HB3      ASP  64  -4.558   1.069 -10.370
  514    H    LYS  65           H        LYS  65  -6.361  -2.440 -10.848
  515    HA   LYS  65           HA       LYS  65  -5.077  -4.157  -9.013
  516    HB2  LYS  65           HB2      LYS  65  -5.834  -4.319 -11.943
  517    HB3  LYS  65           HB3      LYS  65  -4.999  -5.658 -11.175
  518    HG2  LYS  65           HG2      LYS  65  -7.622  -4.469 -10.172
  519    HG3  LYS  65           HG3      LYS  65  -7.476  -5.918 -11.185
  520    HD2  LYS  65           HD2      LYS  65  -6.402  -5.579  -8.356
  521    HD3  LYS  65           HD3      LYS  65  -7.742  -6.615  -8.877
  522    HE2  LYS  65           HE2      LYS  65  -6.154  -7.898 -10.315
  523    HE3  LYS  65           HE3      LYS  65  -4.828  -6.891  -9.716
  524    HZ1  LYS  65           HZ1      LYS  65  -4.948  -8.920  -8.509
  525    HZ2  LYS  65           HZ2      LYS  65  -5.322  -7.675  -7.501
  526    HZ3  LYS  65           HZ3      LYS  65  -6.514  -8.653  -8.077
  527    H    ARG  66           H        ARG  66  -3.671  -2.403 -11.835
  528    HA   ARG  66           HA       ARG  66  -1.348  -4.133 -11.809
  529    HB2  ARG  66           HB2      ARG  66  -0.622  -2.909 -13.653
  530    HB3  ARG  66           HB3      ARG  66  -2.385  -2.759 -13.749
  531    HG2  ARG  66           HG2      ARG  66  -2.001  -0.515 -12.413
  532    HG3  ARG  66           HG3      ARG  66  -0.322  -0.698 -12.965
  533    HD2  ARG  66           HD2      ARG  66  -1.356   0.643 -14.602
  534    HD3  ARG  66           HD3      ARG  66  -1.334  -0.983 -15.326
  535    HE   ARG  66           HE       ARG  66  -3.740  -0.481 -13.800
  536   HH11  ARG  66          HH11      ARG  66  -2.233   0.101 -16.952
  537   HH12  ARG  66          HH12      ARG  66  -3.761   0.342 -17.761
  538   HH21  ARG  66          HH21      ARG  66  -5.693  -0.100 -14.857
  539   HH22  ARG  66          HH22      ARG  66  -5.734   0.212 -16.576
  540    H    ASP  67           H        ASP  67  -2.141  -0.952 -10.426
  541    HA   ASP  67           HA       ASP  67   0.570  -0.457  -9.494
  542    HB2  ASP  67           HB2      ASP  67  -2.112   0.750  -8.695
  543    HB3  ASP  67           HB3      ASP  67  -0.524   1.395  -8.256
  544    H    ALA  68           H        ALA  68  -2.382  -1.995  -8.281
  545    HA   ALA  68           HA       ALA  68  -1.622  -2.077  -5.515
  546    HB1  ALA  68           HB1      ALA  68  -3.579  -3.700  -7.202
  547    HB2  ALA  68           HB2      ALA  68  -3.504  -3.747  -5.435
  548    HB3  ALA  68           HB3      ALA  68  -3.950  -2.236  -6.262
  549    H    GLU  69           H        GLU  69  -1.325  -4.421  -8.259
  550    HA   GLU  69           HA       GLU  69  -0.363  -6.502  -6.514
  551    HB2  GLU  69           HB2      GLU  69  -0.329  -6.171  -9.534
  552    HB3  GLU  69           HB3      GLU  69   0.252  -7.623  -8.687
  553    HG2  GLU  69           HG2      GLU  69  -1.950  -7.851  -7.564
  554    HG3  GLU  69           HG3      GLU  69  -2.561  -6.476  -8.487
  555    H    ASP  70           H        ASP  70   1.266  -3.944  -8.435
  556    HA   ASP  70           HA       ASP  70   3.905  -5.106  -7.996
  557    HB2  ASP  70           HB2      ASP  70   2.915  -2.340  -8.774
  558    HB3  ASP  70           HB3      ASP  70   4.623  -2.756  -8.585
  559    H    ALA  71           H        ALA  71   1.832  -2.718  -6.330
  560    HA   ALA  71           HA       ALA  71   3.800  -1.664  -4.605
  561    HB1  ALA  71           HB1      ALA  71   0.807  -2.033  -4.190
  562    HB2  ALA  71           HB2      ALA  71   1.858  -0.991  -3.205
  563    HB3  ALA  71           HB3      ALA  71   1.612  -0.623  -4.925
  564    H    MET  72           H        MET  72   1.852  -4.675  -4.348
  565    HA   MET  72           HA       MET  72   2.945  -5.099  -1.631
  566    HB2  MET  72           HB2      MET  72   1.528  -7.046  -1.535
  567    HB3  MET  72           HB3      MET  72   0.574  -5.701  -2.194
  568    HG2  MET  72           HG2      MET  72   1.083  -6.511  -4.472
  569    HG3  MET  72           HG3      MET  72   1.904  -7.922  -3.781
  570    HE1  MET  72           HE1      MET  72  -0.062  -8.351  -5.941
  571    HE2  MET  72           HE2      MET  72   0.582  -9.718  -5.010
  572    HE3  MET  72           HE3      MET  72  -1.167  -9.605  -5.319
  573    H    ASP  73           H        ASP  73   3.514  -6.166  -4.972
  574    HA   ASP  73           HA       ASP  73   5.142  -8.420  -4.288
  575    HB2  ASP  73           HB2      ASP  73   4.091  -8.055  -6.491
  576    HB3  ASP  73           HB3      ASP  73   5.136  -6.652  -6.761
  577    H    ALA  74           H        ALA  74   5.689  -5.071  -3.824
  578    HA   ALA  74           HA       ALA  74   8.623  -5.591  -3.592
  579    HB1  ALA  74           HB1      ALA  74   7.160  -3.213  -4.743
  580    HB2  ALA  74           HB2      ALA  74   8.929  -3.247  -4.447
  581    HB3  ALA  74           HB3      ALA  74   8.188  -4.353  -5.638
  582    H    MET  75           H        MET  75   5.796  -4.527  -1.973
  583    HA   MET  75           HA       MET  75   7.553  -3.337   0.157
  584    HB2  MET  75           HB2      MET  75   4.655  -2.780  -0.502
  585    HB3  MET  75           HB3      MET  75   5.442  -2.221   0.961
  586    HG2  MET  75           HG2      MET  75   6.685  -1.471  -1.682
  587    HG3  MET  75           HG3      MET  75   5.220  -0.658  -1.136
  588    HE1  MET  75           HE1      MET  75   5.840   1.634  -0.895
  589    HE2  MET  75           HE2      MET  75   7.282   2.275  -0.078
  590    HE3  MET  75           HE3      MET  75   7.456   1.373  -1.587
  591    H    ASP  76           H        ASP  76   5.085  -5.855  -0.561
  592    HA   ASP  76           HA       ASP  76   4.450  -6.254   2.204
  593    HB2  ASP  76           HB2      ASP  76   3.061  -7.146   0.344
  594    HB3  ASP  76           HB3      ASP  76   4.380  -8.260  -0.080
  595    H    GLY  77           H        GLY  77   5.633  -7.110   3.781
  596    HA2  GLY  77           HA2      GLY  77   7.122  -8.507   4.864
  597    HA3  GLY  77           HA3      GLY  77   7.561  -9.245   3.309
  598    H    ALA  78           H        ALA  78   7.793  -5.924   2.898
  599    HA   ALA  78           HA       ALA  78  10.662  -5.939   2.839
  600    HB1  ALA  78           HB1      ALA  78   8.669  -3.646   2.689
  601    HB2  ALA  78           HB2      ALA  78  10.377  -3.578   2.198
  602    HB3  ALA  78           HB3      ALA  78   9.248  -4.611   1.308
  603    H    VAL  79           H        VAL  79  11.584  -3.642   3.833
  604    HA   VAL  79           HA       VAL  79  10.973  -3.634   6.746
  605    HB   VAL  79           HB       VAL  79  13.727  -3.889   5.472
  606   HG11  VAL  79          HG11      VAL  79  14.538  -4.073   7.804
  607   HG12  VAL  79          HG12      VAL  79  13.847  -2.479   7.459
  608   HG13  VAL  79          HG13      VAL  79  12.908  -3.668   8.392
  609   HG21  VAL  79          HG21      VAL  79  12.530  -6.028   5.470
  610   HG22  VAL  79          HG22      VAL  79  13.814  -6.045   6.695
  611   HG23  VAL  79          HG23      VAL  79  12.116  -5.825   7.185
  612    H    LEU  80           H        LEU  80  11.413  -1.664   7.767
  613    HA   LEU  80           HA       LEU  80  11.843   0.644   5.914
  614    HB2  LEU  80           HB2      LEU  80   9.643   0.341   7.152
  615    HB3  LEU  80           HB3      LEU  80  10.515   0.553   8.656
  616    HG   LEU  80           HG       LEU  80   9.317   2.546   7.936
  617   HD11  LEU  80          HD11      LEU  80  11.005   4.209   8.278
  618   HD12  LEU  80          HD12      LEU  80  11.416   2.788   9.262
  619   HD13  LEU  80          HD13      LEU  80  12.294   3.119   7.744
  620   HD21  LEU  80          HD21      LEU  80   9.494   2.215   5.490
  621   HD22  LEU  80          HD22      LEU  80   9.974   3.845   5.989
  622   HD23  LEU  80          HD23      LEU  80  11.221   2.656   5.563
  623    H    ASP  81           H        ASP  81  12.453  -0.413   9.311
  624    HA   ASP  81           HA       ASP  81  15.156   0.786   9.118
  625    HB2  ASP  81           HB2      ASP  81  13.588   2.461  10.096
  626    HB3  ASP  81           HB3      ASP  81  13.195   1.311  11.386
  627    H    GLY  82           H        GLY  82  13.261  -1.894   9.897
  628    HA2  GLY  82           HA2      GLY  82  15.185  -3.643  10.504
  629    HA3  GLY  82           HA3      GLY  82  14.983  -2.860  12.083
  630    H    ARG  83           H        ARG  83  11.969  -2.521  11.081
  631    HA   ARG  83           HA       ARG  83  11.050  -5.110  12.205
  632    HB2  ARG  83           HB2      ARG  83   8.897  -4.023  12.383
  633    HB3  ARG  83           HB3      ARG  83  10.138  -3.044  13.156
  634    HG2  ARG  83           HG2      ARG  83  10.104  -1.415  11.459
  635    HG3  ARG  83           HG3      ARG  83   9.345  -2.495  10.277
  636    HD2  ARG  83           HD2      ARG  83   7.768  -0.796  11.199
  637    HD3  ARG  83           HD3      ARG  83   7.261  -2.476  11.434
  638    HE   ARG  83           HE       ARG  83   8.708  -1.209  13.677
  639   HH11  ARG  83          HH11      ARG  83   5.597  -2.109  12.251
  640   HH12  ARG  83          HH12      ARG  83   4.762  -2.161  13.780
  641   HH21  ARG  83          HH21      ARG  83   7.590  -1.251  15.671
  642   HH22  ARG  83          HH22      ARG  83   5.883  -1.625  15.713
  643    H    GLU  84           H        GLU  84   8.510  -4.958  10.926
  644    HA   GLU  84           HA       GLU  84   9.231  -5.864   8.160
  645    HB2  GLU  84           HB2      GLU  84   7.170  -6.866  10.161
  646    HB3  GLU  84           HB3      GLU  84   7.109  -7.272   8.438
  647    HG2  GLU  84           HG2      GLU  84   9.458  -8.164   8.629
  648    HG3  GLU  84           HG3      GLU  84   9.401  -7.832  10.368
  649    H    LEU  85           H        LEU  85   7.360  -5.727   6.637
  650    HA   LEU  85           HA       LEU  85   5.510  -3.467   7.192
  651    HB2  LEU  85           HB2      LEU  85   7.287  -3.845   4.750
  652    HB3  LEU  85           HB3      LEU  85   5.977  -2.659   4.861
  653    HG   LEU  85           HG       LEU  85   8.455  -2.741   6.639
  654   HD11  LEU  85          HD11      LEU  85   8.903  -2.094   4.298
  655   HD12  LEU  85          HD12      LEU  85   7.632  -0.850   4.399
  656   HD13  LEU  85          HD13      LEU  85   9.096  -0.715   5.400
  657   HD21  LEU  85          HD21      LEU  85   6.520  -1.773   7.829
  658   HD22  LEU  85          HD22      LEU  85   7.691  -0.514   7.404
  659   HD23  LEU  85          HD23      LEU  85   6.201  -0.697   6.452
  660    H    ARG  86           H        ARG  86   3.609  -3.539   5.761
  661    HA   ARG  86           HA       ARG  86   3.105  -6.204   4.555
  662    HB2  ARG  86           HB2      ARG  86   1.719  -4.929   6.935
  663    HB3  ARG  86           HB3      ARG  86   0.823  -6.017   5.884
  664    HG2  ARG  86           HG2      ARG  86   3.378  -6.699   7.412
  665    HG3  ARG  86           HG3      ARG  86   1.736  -7.239   7.814
  666    HD2  ARG  86           HD2      ARG  86   1.595  -8.383   5.599
  667    HD3  ARG  86           HD3      ARG  86   3.288  -7.928   5.288
  668    HE   ARG  86           HE       ARG  86   2.944  -9.374   7.780
  669   HH11  ARG  86          HH11      ARG  86   3.376  -9.653   4.275
  670   HH12  ARG  86          HH12      ARG  86   4.074 -11.249   4.369
  671   HH21  ARG  86          HH21      ARG  86   3.863 -11.468   7.863
  672   HH22  ARG  86          HH22      ARG  86   4.342 -12.281   6.391
  673    H    VAL  87           H        VAL  87   1.587  -6.273   3.028
  674    HA   VAL  87           HA       VAL  87  -0.024  -3.916   2.343
  675    HB   VAL  87           HB       VAL  87   2.066  -5.062   0.444
  676   HG11  VAL  87          HG11      VAL  87   0.054  -2.803   0.144
  677   HG12  VAL  87          HG12      VAL  87   1.292  -3.252  -1.043
  678   HG13  VAL  87          HG13      VAL  87  -0.033  -4.385  -0.662
  679   HG21  VAL  87          HG21      VAL  87   3.222  -3.607   1.976
  680   HG22  VAL  87          HG22      VAL  87   2.907  -2.655   0.499
  681   HG23  VAL  87          HG23      VAL  87   1.895  -2.426   1.937
  682    H    GLN  88           H        GLN  88  -2.004  -4.764   1.701
  683    HA   GLN  88           HA       GLN  88  -2.175  -7.065  -0.035
  684    HB2  GLN  88           HB2      GLN  88  -3.377  -8.548   1.498
  685    HB3  GLN  88           HB3      GLN  88  -1.731  -8.274   2.068
  686    HG2  GLN  88           HG2      GLN  88  -4.140  -6.737   3.118
  687    HG3  GLN  88           HG3      GLN  88  -3.550  -8.239   3.834
  688   HE21  GLN  88          HE22      GLN  88  -3.583  -5.118   4.493
  689   HE22  GLN  88          HE21      GLN  88  -1.993  -4.906   5.207
  690    H    MET  89           H        MET  89  -4.512  -7.673  -0.433
  691    HA   MET  89           HA       MET  89  -5.961  -5.314  -1.018
  692    HB2  MET  89           HB2      MET  89  -6.937  -8.197  -0.931
  693    HB3  MET  89           HB3      MET  89  -7.712  -6.850  -1.793
  694    HG2  MET  89           HG2      MET  89  -4.927  -7.954  -2.310
  695    HG3  MET  89           HG3      MET  89  -6.347  -8.279  -3.289
  696    HE1  MET  89           HE1      MET  89  -4.355  -7.588  -5.152
  697    HE2  MET  89           HE2      MET  89  -3.713  -5.928  -5.286
  698    HE3  MET  89           HE3      MET  89  -3.266  -6.937  -3.900
  699    H    ALA  90           H        ALA  90  -8.065  -4.640  -0.264
  700    HA   ALA  90           HA       ALA  90  -8.207  -4.518   2.597
  701    HB1  ALA  90           HB1      ALA  90 -10.245  -3.692   0.493
  702    HB2  ALA  90           HB2      ALA  90 -10.209  -3.169   2.191
  703    HB3  ALA  90           HB3      ALA  90  -8.897  -2.696   1.096
  704    H    ARG  91           H        ARG  91 -10.440  -4.832   3.703
  705    HA   ARG  91           HA       ARG  91 -11.612  -7.480   2.932
  706    HB2  ARG  91           HB2      ARG  91 -10.947  -6.437   5.709
  707    HB3  ARG  91           HB3      ARG  91 -11.810  -7.946   5.358
  708    HG2  ARG  91           HG2      ARG  91  -9.833  -8.838   4.198
  709    HG3  ARG  91           HG3      ARG  91  -8.990  -7.289   4.411
  710    HD2  ARG  91           HD2      ARG  91  -8.236  -8.869   6.122
  711    HD3  ARG  91           HD3      ARG  91  -9.146  -7.547   6.876
  712    HE   ARG  91           HE       ARG  91 -10.812  -9.032   7.501
  713   HH11  ARG  91          HH11      ARG  91  -8.597 -10.647   5.254
  714   HH12  ARG  91          HH12      ARG  91  -9.296 -12.227   5.556
  715   HH21  ARG  91          HH21      ARG  91 -11.678 -11.097   7.851
  716   HH22  ARG  91          HH22      ARG  91 -11.017 -12.484   7.027
  717    H    TYR  92           H        TYR  92 -12.230  -4.161   3.660
  718    HA   TYR  92           HA       TYR  92 -15.136  -4.710   3.743
  719    HB2  TYR  92           HB2      TYR  92 -13.721  -3.034   5.845
  720    HB3  TYR  92           HB3      TYR  92 -15.457  -3.334   5.725
  721    HD1  TYR  92           HD2      TYR  92 -16.295  -5.738   6.053
  722    HD2  TYR  92           HD1      TYR  92 -12.307  -4.474   7.041
  723    HE1  TYR  92           HE2      TYR  92 -16.043  -7.715   7.537
  724    HE2  TYR  92           HE1      TYR  92 -12.049  -6.436   8.537
  725    HH   TYR  92           HH       TYR  92 -13.037  -8.305   9.407
  726    H    GLY  93           H        GLY  93 -16.394  -2.639   3.521
  727    HA2  GLY  93           HA2      GLY  93 -15.166  -0.845   1.601
  728    HA3  GLY  93           HA3      GLY  93 -16.785  -0.708   2.330
  729    H    ARG  94           H        ARG  94 -16.074  -0.722   5.021
  730    HA   ARG  94           HA       ARG  94 -14.045   0.359   6.206
  731    HB2  ARG  94           HB2      ARG  94 -14.261   2.775   6.425
  732    HB3  ARG  94           HB3      ARG  94 -13.965   2.278   4.791
  733    HG2  ARG  94           HG2      ARG  94 -15.510   4.073   4.829
  734    HG3  ARG  94           HG3      ARG  94 -16.365   2.616   4.241
  735    HD2  ARG  94           HD2      ARG  94 -17.492   2.378   6.384
  736    HD3  ARG  94           HD3      ARG  94 -16.524   3.696   7.078
  737    HE   ARG  94           HE       ARG  94 -17.897   4.619   4.744
  738   HH11  ARG  94          HH11      ARG  94 -18.512   3.716   8.108
  739   HH12  ARG  94          HH12      ARG  94 -19.899   4.769   8.254
  740   HH21  ARG  94          HH21      ARG  94 -19.730   5.964   4.963
  741   HH22  ARG  94          HH22      ARG  94 -20.585   6.036   6.481
  742    HA   PRO  95           HA       PRO  95 -16.185  -0.369   9.774
  743    HB2  PRO  95           HB2      PRO  95 -15.920   2.434  10.826
  744    HB3  PRO  95           HB3      PRO  95 -15.403   0.881  11.572
  745    HG2  PRO  95           HG2      PRO  95 -13.594   2.579  10.378
  746    HG3  PRO  95           HG3      PRO  95 -13.447   0.787  10.217
  747    HD2  PRO  95           HD2      PRO  95 -14.524   2.763   8.281
  748    HD3  PRO  95           HD3      PRO  95 -13.508   1.301   7.998
  749    HA   PRO  96           HA       PRO  96 -20.358   1.026   9.218
  750    HB2  PRO  96           HB2      PRO  96 -21.651  -0.410  11.127
  751    HB3  PRO  96           HB3      PRO  96 -20.822  -1.203   9.751
  752    HG2  PRO  96           HG2      PRO  96 -19.774  -0.786  12.569
  753    HG3  PRO  96           HG3      PRO  96 -19.773  -2.287  11.593
  754    HD2  PRO  96           HD2      PRO  96 -17.598  -0.595  11.747
  755    HD3  PRO  96           HD3      PRO  96 -17.973  -1.546  10.279
  756    H    ASP  97           H        ASP  97 -19.155   1.113  12.645
  757    HA   ASP  97           HA       ASP  97 -20.468   3.699  13.086
  758    HB2  ASP  97           HB2      ASP  97 -21.322   1.151  14.537
  759    HB3  ASP  97           HB3      ASP  97 -21.728   2.785  15.074
  760    H    SER  98           H        SER  98 -17.700   2.481  13.187
  761    HA   SER  98           HA       SER  98 -16.948   2.085  15.901
  762    HB2  SER  98           HB2      SER  98 -15.294   2.876  13.470
  763    HB3  SER  98           HB3      SER  98 -14.623   2.362  15.027
  764    HG   SER  98           HG       SER  98 -14.809   0.611  13.615
  765    H    HIS  99           H        HIS  99 -18.119   4.967  14.743
  766    HA   HIS  99           HA       HIS  99 -16.542   6.486  16.732
  767    HB2  HIS  99           HB2      HIS  99 -16.010   8.242  15.184
  768    HB3  HIS  99           HB3      HIS  99 -15.450   6.727  14.469
  769    HD2  HIS  99           HD2      HIS  99 -17.250   9.761  13.542
  770    HE1  HIS  99           HE1      HIS  99 -18.828   6.858  10.856
  771    HE2  HIS  99           HE2      HIS  99 -18.631   9.355  11.349
  772    H    HIS 100           H        HIS 100 -17.497   8.662  17.123
  773    HA   HIS 100           HA       HIS 100 -20.325   9.020  16.380
  774    HB2  HIS 100           HB2      HIS 100 -19.363   8.782  19.259
  775    HB3  HIS 100           HB3      HIS 100 -20.977   9.279  18.767
  776    HD2  HIS 100           HD2      HIS 100 -22.509   7.322  17.486
  777    HE1  HIS 100           HE1      HIS 100 -20.312   4.045  19.073
  778    HE2  HIS 100           HE2      HIS 100 -22.444   4.729  17.869
  779    H    SER 101           H        SER 101 -21.112  11.165  17.066
  780    HA   SER 101           HA       SER 101 -19.062  13.141  17.842
  781    HB2  SER 101           HB2      SER 101 -20.613  13.250  15.222
  782    HB3  SER 101           HB3      SER 101 -19.647  14.578  15.890
  783    HG   SER 101           HG       SER 101 -18.497  13.293  14.368
  784    H5'    U 102           H5'        U 102  -4.878  -6.561  12.859
  785   H5''    U 102          H5''        U 102  -3.198  -6.762  13.424
  786    H4'    U 102           H4'        U 102  -4.957  -4.499  14.427
  787    H3'    U 102           H3'        U 102  -3.154  -4.661  11.993
  788    H2'    U 102           H2'        U 102  -2.549  -2.397  12.422
  789   HO2'    U 102          HO2'        U 102  -4.710  -1.639  12.723
  790    H1'    U 102           H1'        U 102  -2.865  -2.640  15.243
  791    H3     U 102           H3         U 102   1.553  -4.295  12.717
  792    H5     U 102           H5         U 102   1.418  -1.481  15.837
  793    H6     U 102           H6         U 102  -1.010  -1.769  15.891
  794   HO5'    U 102          HO5'        U 102  -4.702  -7.972  14.679
  795    H5'    C 103           H5'        C 103  -6.180  -1.044   9.674
  796   H5''    C 103          H5''        C 103  -6.945  -1.423  11.229
  797    H4'    C 103           H4'        C 103  -8.487  -0.346   9.613
  798    H3'    C 103           H3'        C 103  -9.132  -2.475  11.242
  799    H2'    C 103           H2'        C 103  -8.799  -4.174   9.626
  800   HO2'    C 103          HO2'        C 103 -11.457  -3.236   9.330
  801    H1'    C 103           H1'        C 103 -10.084  -2.494   7.476
  802    H41    C 103           H41        C 103  -6.932  -6.441   3.602
  803    H42    C 103           H42        C 103  -5.894  -6.976   4.911
  804    H5     C 103           H5         C 103  -6.092  -6.145   7.199
  805    H6     C 103           H6         C 103  -7.249  -4.611   8.616
  806    H5'    C 104           H5'        C 104 -10.028   2.520  11.416
  807   H5''    C 104          H5''        C 104 -11.775   2.571  11.248
  808    H4'    C 104           H4'        C 104 -10.299   4.426  10.132
  809    H3'    C 104           H3'        C 104 -12.547   3.067   8.629
  810    H2'    C 104           H2'        C 104 -12.095   4.325   6.810
  811   HO2'    C 104          HO2'        C 104 -11.862   6.403   7.833
  812    H1'    C 104           H1'        C 104  -9.352   4.356   7.029
  813    H41    C 104           H41        C 104 -11.375   0.134   2.701
  814    H42    C 104           H42        C 104 -12.102  -0.885   3.928
  815    H5     C 104           H5         C 104 -12.048  -0.290   6.333
  816    H6     C 104           H6         C 104 -11.403   1.447   7.898
  817    H5'    A 105           H5'        A 105 -16.059   6.958  10.164
  818   H5''    A 105          H5''        A 105 -15.401   8.515   9.649
  819    H4'    A 105           H4'        A 105 -15.133   8.326  12.035
  820    H3'    A 105           H3'        A 105 -12.878   8.653  10.226
  821    H2'    A 105           H2'        A 105 -11.780   6.837  11.154
  822   HO2'    A 105          HO2'        A 105 -10.725   8.810  12.027
  823    H1'    A 105           H1'        A 105 -13.386   7.392  13.690
  824    H8     A 105           H8         A 105 -11.553   4.655  11.709
  825    H61    A 105           H61        A 105 -10.490   2.161  17.309
  826    H62    A 105           H62        A 105 -10.202   1.971  15.588
  827    H2     A 105           H2         A 105 -13.005   5.767  17.835
  828    H5'    G 106           H5'        G 106 -11.208  11.593  10.801
  829   H5''    G 106          H5''        G 106 -12.140  13.078  10.545
  830    H4'    G 106           H4'        G 106 -10.569  13.027   8.759
  831    H3'    G 106           H3'        G 106 -13.256  11.969   7.848
  832    H2'    G 106           H2'        G 106 -12.361  11.753   5.678
  833   HO2'    G 106          HO2'        G 106 -11.332  13.937   5.879
  834    H1'    G 106           H1'        G 106  -9.758  11.110   6.462
  835    H8     G 106           H8         G 106 -13.087   9.415   7.601
  836    H1     G 106           H1         G 106  -9.669   6.400   3.068
  837    H21    G 106           H21        G 106  -7.968   7.667   2.472
  838    H22    G 106           H22        G 106  -7.569   9.153   3.318
  839    H5'    U 107           H5'        U 107 -12.578  14.594   4.353
  840   H5''    U 107          H5''        U 107 -11.344  15.515   5.252
  841    H4'    U 107           H4'        U 107 -12.076  17.587   4.269
  842    H3'    U 107           H3'        U 107 -14.566  16.074   3.818
  843   HO3'    U 107          HO3'        U 107 -14.398  18.064   4.968
  844    H2'    U 107           H2'        U 107 -14.279  15.979   1.551
  845   HO2'    U 107          HO2'        U 107 -15.621  17.906   1.774
  846    H1'    U 107           H1'        U 107 -12.225  18.180   1.702
  847    H3     U 107           H3         U 107  -9.553  15.529  -1.462
  848    H5     U 107           H5         U 107 -13.490  16.183  -2.765
  849    H6     U 107           H6         U 107 -14.022  17.016  -0.556
  Start of MODEL   19
    1    H    MET   1           H1       MET   1  -4.192  20.791   0.425
    2    HA   MET   1           HA       MET   1  -6.232  19.936   2.351
    3    HB2  MET   1           HB2      MET   1  -7.105  21.394   0.557
    4    HB3  MET   1           HB3      MET   1  -6.432  20.296  -0.664
    5    HG2  MET   1           HG2      MET   1  -7.834  18.458   0.251
    6    HG3  MET   1           HG3      MET   1  -8.507  19.586   1.444
    7    HE1  MET   1           HE1      MET   1 -10.265  17.746  -0.398
    8    HE2  MET   1           HE2      MET   1 -10.931  18.903   0.772
    9    HE3  MET   1           HE3      MET   1 -11.539  18.885  -0.900
   10    H    SER   2           H        SER   2  -5.756  17.903   2.985
   11    HA   SER   2           HA       SER   2  -5.043  15.881   0.946
   12    HB2  SER   2           HB2      SER   2  -3.350  16.448   3.417
   13    HB3  SER   2           HB3      SER   2  -3.109  15.114   2.272
   14    HG   SER   2           HG       SER   2  -1.761  16.887   1.811
   15    H    TYR   3           H        TYR   3  -4.885  13.674   2.064
   16    HA   TYR   3           HA       TYR   3  -6.074  12.013   3.017
   17    HB2  TYR   3           HB2      TYR   3  -6.024  13.664   5.540
   18    HB3  TYR   3           HB3      TYR   3  -5.869  11.917   5.361
   19    HD1  TYR   3           HD1      TYR   3  -3.823  11.185   3.757
   20    HD2  TYR   3           HD2      TYR   3  -4.078  14.885   5.925
   21    HE1  TYR   3           HE1      TYR   3  -1.366  11.393   3.647
   22    HE2  TYR   3           HE2      TYR   3  -1.598  15.109   5.830
   23    HH   TYR   3           HH       TYR   3   0.458  12.665   4.203
   24    H    GLY   4           H        GLY   4  -7.746  13.961   1.716
   25    HA2  GLY   4           HA2      GLY   4  -9.972  14.698   3.301
   26    HA3  GLY   4           HA3      GLY   4  -9.921  14.605   1.530
   27    H    ARG   5           H        ARG   5 -12.228  13.968   2.702
   28    HA   ARG   5           HA       ARG   5 -12.670  11.416   3.708
   29    HB2  ARG   5           HB2      ARG   5 -15.007  11.800   3.116
   30    HB3  ARG   5           HB3      ARG   5 -14.273  13.304   3.706
   31    HG2  ARG   5           HG2      ARG   5 -13.898  13.989   1.309
   32    HG3  ARG   5           HG3      ARG   5 -14.803  12.545   0.800
   33    HD2  ARG   5           HD2      ARG   5 -15.834  14.843   2.504
   34    HD3  ARG   5           HD3      ARG   5 -16.225  14.539   0.814
   35    HE   ARG   5           HE       ARG   5 -17.427  12.526   1.467
   36   HH11  ARG   5          HH11      ARG   5 -16.560  14.697   4.136
   37   HH12  ARG   5          HH12      ARG   5 -17.761  14.016   5.211
   38   HH21  ARG   5          HH21      ARG   5 -18.966  11.682   2.897
   39   HH22  ARG   5          HH22      ARG   5 -19.124  12.335   4.511
   40    HA   PRO   6           HA       PRO   6 -12.107   8.631   0.366
   41    HB2  PRO   6           HB2      PRO   6 -13.752   6.571   1.127
   42    HB3  PRO   6           HB3      PRO   6 -12.241   7.000   1.990
   43    HG2  PRO   6           HG2      PRO   6 -15.077   7.800   2.678
   44    HG3  PRO   6           HG3      PRO   6 -13.812   7.150   3.782
   45    HD2  PRO   6           HD2      PRO   6 -14.323   9.840   3.568
   46    HD3  PRO   6           HD3      PRO   6 -12.668   9.229   3.823
   47    HA   PRO   7           HA       PRO   7 -15.335   9.279  -2.567
   48    HB2  PRO   7           HB2      PRO   7 -14.851   7.349  -4.412
   49    HB3  PRO   7           HB3      PRO   7 -13.663   8.650  -4.081
   50    HG2  PRO   7           HG2      PRO   7 -13.713   5.840  -2.935
   51    HG3  PRO   7           HG3      PRO   7 -12.326   6.688  -3.711
   52    HD2  PRO   7           HD2      PRO   7 -12.654   6.617  -1.002
   53    HD3  PRO   7           HD3      PRO   7 -12.006   8.065  -1.829
   54    HA   PRO   8           HA       PRO   8 -18.706   6.475  -1.770
   55    HB2  PRO   8           HB2      PRO   8 -20.451   7.159  -3.738
   56    HB3  PRO   8           HB3      PRO   8 -19.918   8.362  -2.514
   57    HG2  PRO   8           HG2      PRO   8 -18.788   7.941  -5.298
   58    HG3  PRO   8           HG3      PRO   8 -19.361   9.475  -4.556
   59    HD2  PRO   8           HD2      PRO   8 -16.721   8.716  -4.548
   60    HD3  PRO   8           HD3      PRO   8 -17.452   9.625  -3.192
   61    H    ASP   9           H        ASP   9 -16.396   5.317  -3.265
   62    HA   ASP   9           HA       ASP   9 -17.854   3.452  -5.060
   63    HB2  ASP   9           HB2      ASP   9 -16.763   5.321  -6.327
   64    HB3  ASP   9           HB3      ASP   9 -15.199   4.789  -5.701
   65    H    VAL  10           H        VAL  10 -16.644   3.366  -2.246
   66    HA   VAL  10           HA       VAL  10 -14.400   1.596  -2.313
   67    HB   VAL  10           HB       VAL  10 -14.937   1.204   0.051
   68   HG11  VAL  10          HG11      VAL  10 -13.712   3.233  -0.590
   69   HG12  VAL  10          HG12      VAL  10 -15.247   4.118  -0.773
   70   HG13  VAL  10          HG13      VAL  10 -14.747   3.526   0.823
   71   HG21  VAL  10          HG21      VAL  10 -17.437   2.871  -0.494
   72   HG22  VAL  10          HG22      VAL  10 -17.404   1.128  -0.133
   73   HG23  VAL  10          HG23      VAL  10 -16.879   2.300   1.097
   74    H    GLU  11           H        GLU  11 -16.983   0.828  -3.900
   75    HA   GLU  11           HA       GLU  11 -17.139  -1.977  -2.891
   76    HB2  GLU  11           HB2      GLU  11 -19.354  -0.308  -4.143
   77    HB3  GLU  11           HB3      GLU  11 -19.477  -2.002  -3.624
   78    HG2  GLU  11           HG2      GLU  11 -18.913  -1.299  -1.295
   79    HG3  GLU  11           HG3      GLU  11 -18.900   0.387  -1.831
   80    H    GLY  12           H        GLY  12 -15.743  -0.205  -5.078
   81    HA2  GLY  12           HA2      GLY  12 -15.725  -2.277  -7.166
   82    HA3  GLY  12           HA3      GLY  12 -16.230  -0.639  -7.668
   83    H    MET  13           H        MET  13 -13.839  -1.787  -5.265
   84    HA   MET  13           HA       MET  13 -11.719  -0.126  -6.563
   85    HB2  MET  13           HB2      MET  13 -12.934   1.103  -4.796
   86    HB3  MET  13           HB3      MET  13 -12.634  -0.226  -3.668
   87    HG2  MET  13           HG2      MET  13 -10.186   0.191  -3.891
   88    HG3  MET  13           HG3      MET  13 -10.541   1.590  -4.909
   89    HE1  MET  13           HE1      MET  13 -12.293   4.071  -2.497
   90    HE2  MET  13           HE2      MET  13 -11.649   3.771  -4.127
   91    HE3  MET  13           HE3      MET  13 -13.096   2.906  -3.576
   92    H    THR  14           H        THR  14  -9.603  -0.892  -6.288
   93    HA   THR  14           HA       THR  14  -9.295  -3.724  -5.802
   94    HB   THR  14           HB       THR  14  -7.214  -1.524  -6.124
   95   HG21  THR  14          HG21      THR  14  -5.790  -3.443  -6.916
   96   HG22  THR  14          HG22      THR  14  -6.165  -3.518  -5.181
   97   HG23  THR  14          HG23      THR  14  -7.041  -4.565  -6.325
   98    H    SER  15           H        SER  15  -8.835  -0.815  -3.885
   99    HA   SER  15           HA       SER  15  -8.343  -0.439  -1.734
  100    HB2  SER  15           HB2      SER  15  -9.923  -3.017  -1.393
  101    HB3  SER  15           HB3      SER  15  -9.656  -1.785  -0.143
  102    HG   SER  15           HG       SER  15 -11.655  -1.540  -1.264
  103    H    LEU  16           H        LEU  16  -6.027  -1.383  -2.739
  104    HA   LEU  16           HA       LEU  16  -5.043  -3.634  -1.181
  105    HB2  LEU  16           HB2      LEU  16  -4.100  -2.904  -3.397
  106    HB3  LEU  16           HB3      LEU  16  -3.497  -1.434  -2.600
  107    HG   LEU  16           HG       LEU  16  -2.351  -3.095  -0.917
  108   HD11  LEU  16          HD11      LEU  16  -2.648  -4.874  -3.371
  109   HD12  LEU  16          HD12      LEU  16  -1.771  -5.253  -1.876
  110   HD13  LEU  16          HD13      LEU  16  -3.544  -5.111  -1.848
  111   HD21  LEU  16          HD21      LEU  16  -1.469  -2.744  -3.795
  112   HD22  LEU  16          HD22      LEU  16  -1.090  -1.666  -2.426
  113   HD23  LEU  16          HD23      LEU  16  -0.407  -3.311  -2.496
  114    H    LYS  17           H        LYS  17  -5.315  -3.230   1.071
  115    HA   LYS  17           HA       LYS  17  -4.592  -0.691   2.209
  116    HB2  LYS  17           HB2      LYS  17  -5.053  -1.658   4.333
  117    HB3  LYS  17           HB3      LYS  17  -6.277  -2.213   3.187
  118    HG2  LYS  17           HG2      LYS  17  -5.812  -4.352   3.653
  119    HG3  LYS  17           HG3      LYS  17  -4.107  -4.117   3.233
  120    HD2  LYS  17           HD2      LYS  17  -4.225  -4.886   5.511
  121    HD3  LYS  17           HD3      LYS  17  -3.706  -3.184   5.530
  122    HE2  LYS  17           HE2      LYS  17  -6.012  -2.511   6.194
  123    HE3  LYS  17           HE3      LYS  17  -6.512  -4.207   6.065
  124    HZ1  LYS  17           HZ1      LYS  17  -5.963  -3.543   8.313
  125    HZ2  LYS  17           HZ2      LYS  17  -4.945  -4.726   7.794
  126    HZ3  LYS  17           HZ3      LYS  17  -4.429  -3.170   7.874
  127    H    VAL  18           H        VAL  18  -2.859  -0.267   3.740
  128    HA   VAL  18           HA       VAL  18  -0.433  -1.983   3.488
  129    HB   VAL  18           HB       VAL  18  -0.674   0.999   2.994
  130   HG11  VAL  18          HG11      VAL  18   1.747   0.976   2.600
  131   HG12  VAL  18          HG12      VAL  18   1.357   0.487   4.258
  132   HG13  VAL  18          HG13      VAL  18   1.810  -0.748   3.065
  133   HG21  VAL  18          HG21      VAL  18  -1.291  -0.344   1.006
  134   HG22  VAL  18          HG22      VAL  18   0.236   0.523   0.753
  135   HG23  VAL  18          HG23      VAL  18   0.265  -1.211   1.129
  136    H    ASP  19           H        ASP  19   0.746  -2.052   5.378
  137    HA   ASP  19           HA       ASP  19   0.216  -0.239   7.622
  138    HB2  ASP  19           HB2      ASP  19  -0.713  -1.999   9.040
  139    HB3  ASP  19           HB3      ASP  19  -1.739  -1.740   7.621
  140    H    ASN  20           H        ASN  20   1.147  -1.467   9.685
  141    HA   ASN  20           HA       ASN  20   2.769  -2.389  10.855
  142    HB2  ASN  20           HB2      ASN  20   2.465  -4.281   9.046
  143    HB3  ASN  20           HB3      ASN  20   4.066  -3.759   8.517
  144   HD21  ASN  20          HD22      ASN  20   5.875  -4.179   9.888
  145   HD22  ASN  20          HD21      ASN  20   5.735  -5.219  11.291
  146    H    LEU  21           H        LEU  21   3.318   0.050   8.774
  147    HA   LEU  21           HA       LEU  21   6.148   0.347   8.758
  148    HB2  LEU  21           HB2      LEU  21   5.580   2.801   8.613
  149    HB3  LEU  21           HB3      LEU  21   4.761   1.796   7.407
  150    HG   LEU  21           HG       LEU  21   3.259   2.030   9.954
  151   HD11  LEU  21          HD11      LEU  21   3.845   4.512   8.321
  152   HD12  LEU  21          HD12      LEU  21   2.547   4.370   9.540
  153   HD13  LEU  21          HD13      LEU  21   4.243   4.205  10.034
  154   HD21  LEU  21          HD21      LEU  21   2.403   1.076   7.799
  155   HD22  LEU  21          HD22      LEU  21   1.425   2.418   8.427
  156   HD23  LEU  21          HD23      LEU  21   2.554   2.696   7.069
  157    H    THR  22           H        THR  22   7.152   2.324  10.016
  158    HA   THR  22           HA       THR  22   7.049   1.525  12.816
  159    HB   THR  22           HB       THR  22   8.961   2.955  13.114
  160   HG21  THR  22          HG21      THR  22   9.153   1.783  10.317
  161   HG22  THR  22          HG22      THR  22  10.512   2.284  11.354
  162   HG23  THR  22          HG23      THR  22   9.481   0.925  11.852
  163    H    TYR  23           H        TYR  23   7.055   3.188  14.581
  164    HA   TYR  23           HA       TYR  23   4.731   4.917  14.333
  165    HB2  TYR  23           HB2      TYR  23   5.036   5.274  16.663
  166    HB3  TYR  23           HB3      TYR  23   5.392   3.570  16.369
  167    HD1  TYR  23           HD1      TYR  23   7.770   2.758  16.410
  168    HD2  TYR  23           HD2      TYR  23   6.694   6.784  17.475
  169    HE1  TYR  23           HE1      TYR  23   9.996   3.067  17.459
  170    HE2  TYR  23           HE2      TYR  23   8.908   7.093  18.545
  171    HH   TYR  23           HH       TYR  23  11.381   4.509  18.606
  172    H    ARG  24           H        ARG  24   7.930   5.256  13.364
  173    HA   ARG  24           HA       ARG  24   8.087   8.156  13.959
  174    HB2  ARG  24           HB2      ARG  24  10.039   6.152  12.754
  175    HB3  ARG  24           HB3      ARG  24  10.389   7.876  12.973
  176    HG2  ARG  24           HG2      ARG  24   9.712   5.986  15.255
  177    HG3  ARG  24           HG3      ARG  24  11.351   6.441  14.754
  178    HD2  ARG  24           HD2      ARG  24  10.737   8.854  15.095
  179    HD3  ARG  24           HD3      ARG  24   9.182   8.323  15.770
  180    HE   ARG  24           HE       ARG  24  11.052   6.928  17.240
  181   HH11  ARG  24          HH11      ARG  24  10.512  10.355  16.539
  182   HH12  ARG  24          HH12      ARG  24  11.210  10.890  18.048
  183   HH21  ARG  24          HH21      ARG  24  11.934   7.645  19.195
  184   HH22  ARG  24          HH22      ARG  24  12.014   9.353  19.558
  185    H    THR  25           H        THR  25   7.246   5.931  11.402
  186    HA   THR  25           HA       THR  25   7.756   7.710   9.190
  187    HB   THR  25           HB       THR  25   5.848   5.350   9.466
  188   HG21  THR  25          HG21      THR  25   6.277   5.159   6.978
  189   HG22  THR  25          HG22      THR  25   5.288   6.551   7.433
  190   HG23  THR  25          HG23      THR  25   7.015   6.776   7.037
  191    H    SER  26           H        SER  26   5.821   8.520   7.804
  192    HA   SER  26           HA       SER  26   3.548   9.446   9.469
  193    HB2  SER  26           HB2      SER  26   5.498  11.205   7.920
  194    HB3  SER  26           HB3      SER  26   3.960  11.782   8.582
  195    HG   SER  26           HG       SER  26   5.758  12.132   9.988
  196    HA   PRO  27           HA       PRO  27   1.276   8.607   5.870
  197    HB2  PRO  27           HB2      PRO  27  -0.676  10.526   5.758
  198    HB3  PRO  27           HB3      PRO  27  -0.611   9.252   7.019
  199    HG2  PRO  27           HG2      PRO  27   0.379  12.108   7.181
  200    HG3  PRO  27           HG3      PRO  27  -0.627  11.216   8.374
  201    HD2  PRO  27           HD2      PRO  27   2.067  11.482   8.662
  202    HD3  PRO  27           HD3      PRO  27   1.229   9.982   9.144
  203    H    ASP  28           H        ASP  28   2.863  11.744   6.040
  204    HA   ASP  28           HA       ASP  28   2.413  12.394   3.227
  205    HB2  ASP  28           HB2      ASP  28   2.918  14.093   4.993
  206    HB3  ASP  28           HB3      ASP  28   4.525  13.356   5.193
  207    H    THR  29           H        THR  29   4.752  10.605   5.216
  208    HA   THR  29           HA       THR  29   6.766  10.359   3.177
  209    HB   THR  29           HB       THR  29   6.377   8.185   5.180
  210   HG21  THR  29          HG21      THR  29   8.734   9.925   4.357
  211   HG22  THR  29          HG22      THR  29   8.817   8.496   5.415
  212   HG23  THR  29          HG23      THR  29   8.340   8.310   3.709
  213    H    LEU  30           H        LEU  30   4.094   8.223   4.365
  214    HA   LEU  30           HA       LEU  30   4.654   6.127   2.526
  215    HB2  LEU  30           HB2      LEU  30   1.975   6.885   3.739
  216    HB3  LEU  30           HB3      LEU  30   2.422   5.324   3.023
  217    HG   LEU  30           HG       LEU  30   3.783   6.519   5.465
  218   HD11  LEU  30          HD11      LEU  30   1.373   5.997   5.816
  219   HD12  LEU  30          HD12      LEU  30   1.671   4.335   5.256
  220   HD13  LEU  30          HD13      LEU  30   2.448   4.930   6.745
  221   HD21  LEU  30          HD21      LEU  30   4.640   4.195   5.729
  222   HD22  LEU  30          HD22      LEU  30   3.864   3.746   4.192
  223   HD23  LEU  30          HD23      LEU  30   5.191   4.920   4.198
  224    H    ARG  31           H        ARG  31   2.793   9.137   2.228
  225    HA   ARG  31           HA       ARG  31   1.347   8.452  -0.130
  226    HB2  ARG  31           HB2      ARG  31   0.703  10.418   1.092
  227    HB3  ARG  31           HB3      ARG  31   2.342  11.083   1.021
  228    HG2  ARG  31           HG2      ARG  31   0.854  12.250  -0.545
  229    HG3  ARG  31           HG3      ARG  31   2.157  11.417  -1.397
  230    HD2  ARG  31           HD2      ARG  31   0.529   9.482  -1.759
  231    HD3  ARG  31           HD3      ARG  31  -0.746  10.554  -1.155
  232    HE   ARG  31           HE       ARG  31   0.880  10.877  -3.647
  233   HH11  ARG  31          HH11      ARG  31  -1.912  11.895  -1.711
  234   HH12  ARG  31          HH12      ARG  31  -2.598  12.826  -3.020
  235   HH21  ARG  31          HH21      ARG  31  -0.002  12.075  -5.273
  236   HH22  ARG  31          HH22      ARG  31  -1.507  12.944  -5.052
  237    H    ARG  32           H        ARG  32   4.621   9.835   0.327
  238    HA   ARG  32           HA       ARG  32   5.044   9.997  -2.583
  239    HB2  ARG  32           HB2      ARG  32   5.979  11.685  -1.039
  240    HB3  ARG  32           HB3      ARG  32   6.871  10.417  -0.177
  241    HG2  ARG  32           HG2      ARG  32   8.160   9.927  -2.248
  242    HG3  ARG  32           HG3      ARG  32   7.266  11.217  -3.090
  243    HD2  ARG  32           HD2      ARG  32   8.128  12.860  -1.440
  244    HD3  ARG  32           HD3      ARG  32   8.969  11.560  -0.578
  245    HE   ARG  32           HE       ARG  32   9.820  11.504  -3.283
  246   HH11  ARG  32          HH11      ARG  32  10.064  13.599  -0.439
  247   HH12  ARG  32          HH12      ARG  32  11.603  14.268  -0.920
  248   HH21  ARG  32          HH21      ARG  32  11.824  12.403  -3.890
  249   HH22  ARG  32          HH22      ARG  32  12.593  13.600  -2.877
  250    H    VAL  33           H        VAL  33   6.105   7.973   0.128
  251    HA   VAL  33           HA       VAL  33   8.033   6.369  -1.170
  252    HB   VAL  33           HB       VAL  33   6.102   5.943   1.123
  253   HG11  VAL  33          HG11      VAL  33   8.270   4.011   0.252
  254   HG12  VAL  33          HG12      VAL  33   7.322   3.945   1.771
  255   HG13  VAL  33          HG13      VAL  33   6.513   3.730   0.215
  256   HG21  VAL  33          HG21      VAL  33   8.043   7.556   1.313
  257   HG22  VAL  33          HG22      VAL  33   8.074   6.216   2.489
  258   HG23  VAL  33          HG23      VAL  33   9.139   6.192   1.052
  259    H    PHE  34           H        PHE  34   4.470   6.215  -1.200
  260    HA   PHE  34           HA       PHE  34   4.624   3.643  -2.685
  261    HB2  PHE  34           HB2      PHE  34   2.530   5.025  -1.026
  262    HB3  PHE  34           HB3      PHE  34   2.078   3.793  -2.193
  263    HD1  PHE  34           HD2      PHE  34   4.128   4.388   0.872
  264    HD2  PHE  34           HD1      PHE  34   2.413   1.467  -1.772
  265    HE1  PHE  34           HE2      PHE  34   4.712   2.589   2.474
  266    HE2  PHE  34           HE1      PHE  34   2.960  -0.327  -0.154
  267    HZ   PHE  34           HZ       PHE  34   4.138   0.234   1.969
  268    H    GLU  35           H        GLU  35   4.192   6.995  -3.207
  269    HA   GLU  35           HA       GLU  35   2.278   6.855  -5.352
  270    HB2  GLU  35           HB2      GLU  35   2.638   8.926  -4.241
  271    HB3  GLU  35           HB3      GLU  35   4.372   8.938  -4.652
  272    HG2  GLU  35           HG2      GLU  35   3.874   9.314  -6.967
  273    HG3  GLU  35           HG3      GLU  35   2.146   8.974  -6.724
  274    H    LYS  36           H        LYS  36   5.680   6.047  -5.197
  275    HA   LYS  36           HA       LYS  36   6.240   6.470  -7.994
  276    HB2  LYS  36           HB2      LYS  36   8.325   5.377  -7.517
  277    HB3  LYS  36           HB3      LYS  36   7.880   6.420  -6.136
  278    HG2  LYS  36           HG2      LYS  36   7.028   4.428  -4.929
  279    HG3  LYS  36           HG3      LYS  36   7.495   3.398  -6.298
  280    HD2  LYS  36           HD2      LYS  36   9.186   3.258  -4.560
  281    HD3  LYS  36           HD3      LYS  36   9.860   4.062  -5.995
  282    HE2  LYS  36           HE2      LYS  36   9.513   6.265  -4.934
  283    HE3  LYS  36           HE3      LYS  36   8.789   5.479  -3.521
  284    HZ1  LYS  36           HZ1      LYS  36  11.555   5.106  -4.460
  285    HZ2  LYS  36           HZ2      LYS  36  11.091   6.005  -3.162
  286    HZ3  LYS  36           HZ3      LYS  36  10.886   4.374  -3.148
  287    H    TYR  37           H        TYR  37   4.589   4.012  -6.256
  288    HA   TYR  37           HA       TYR  37   4.993   1.904  -8.272
  289    HB2  TYR  37           HB2      TYR  37   3.208   2.103  -5.811
  290    HB3  TYR  37           HB3      TYR  37   3.423   0.649  -6.779
  291    HD1  TYR  37           HD2      TYR  37   5.167   3.025  -4.529
  292    HD2  TYR  37           HD1      TYR  37   5.289  -0.777  -6.528
  293    HE1  TYR  37           HE2      TYR  37   7.143   2.396  -3.178
  294    HE2  TYR  37           HE1      TYR  37   7.280  -1.415  -5.199
  295    HH   TYR  37           HH       TYR  37   8.809  -0.757  -3.612
  296    H    GLY  38           H        GLY  38   2.942   4.621  -7.846
  297    HA2  GLY  38           HA2      GLY  38   1.477   4.817  -9.986
  298    HA3  GLY  38           HA3      GLY  38   0.634   3.430  -9.242
  299    H    ARG  39           H        ARG  39  -1.023   5.392  -9.428
  300    HA   ARG  39           HA       ARG  39  -0.876   7.401  -7.377
  301    HB2  ARG  39           HB2      ARG  39  -3.259   7.758  -7.810
  302    HB3  ARG  39           HB3      ARG  39  -2.318   7.689  -9.304
  303    HG2  ARG  39           HG2      ARG  39  -3.076   5.311  -9.614
  304    HG3  ARG  39           HG3      ARG  39  -4.140   5.514  -8.192
  305    HD2  ARG  39           HD2      ARG  39  -5.242   7.423  -9.278
  306    HD3  ARG  39           HD3      ARG  39  -4.174   7.264 -10.679
  307    HE   ARG  39           HE       ARG  39  -5.585   4.799 -10.139
  308   HH11  ARG  39          HH11      ARG  39  -5.986   8.012 -11.549
  309   HH12  ARG  39          HH12      ARG  39  -7.221   7.485 -12.672
  310   HH21  ARG  39          HH21      ARG  39  -7.186   4.144 -11.609
  311   HH22  ARG  39          HH22      ARG  39  -7.920   5.311 -12.686
  312    H    VAL  40           H        VAL  40  -0.956   7.168  -5.291
  313    HA   VAL  40           HA       VAL  40  -1.327   4.684  -3.997
  314    HB   VAL  40           HB       VAL  40  -1.332   5.900  -1.918
  315   HG11  VAL  40          HG11      VAL  40   0.785   5.627  -3.186
  316   HG12  VAL  40          HG12      VAL  40   0.547   7.239  -3.909
  317   HG13  VAL  40          HG13      VAL  40   0.786   7.079  -2.157
  318   HG21  VAL  40          HG21      VAL  40  -1.610   8.447  -3.577
  319   HG22  VAL  40          HG22      VAL  40  -2.874   7.746  -2.539
  320   HG23  VAL  40          HG23      VAL  40  -1.380   8.357  -1.819
  321    H    GLY  41           H        GLY  41  -3.687   6.858  -5.215
  322    HA2  GLY  41           HA2      GLY  41  -5.949   6.672  -5.361
  323    HA3  GLY  41           HA3      GLY  41  -5.860   5.141  -4.468
  324    H    ASP  42           H        ASP  42  -5.050   5.605  -2.028
  325    HA   ASP  42           HA       ASP  42  -6.225   8.030  -0.870
  326    HB2  ASP  42           HB2      ASP  42  -8.139   6.481  -1.106
  327    HB3  ASP  42           HB3      ASP  42  -7.239   5.217  -0.274
  328    H    VAL  43           H        VAL  43  -5.684   8.167   1.433
  329    HA   VAL  43           HA       VAL  43  -3.571   6.395   2.461
  330    HB   VAL  43           HB       VAL  43  -2.174   7.788   1.185
  331   HG11  VAL  43          HG11      VAL  43  -2.319  10.297   1.237
  332   HG12  VAL  43          HG12      VAL  43  -3.674   9.497   0.430
  333   HG13  VAL  43          HG13      VAL  43  -3.887  10.140   2.063
  334   HG21  VAL  43          HG21      VAL  43  -2.314   9.071   3.940
  335   HG22  VAL  43          HG22      VAL  43  -1.470   7.551   3.539
  336   HG23  VAL  43          HG23      VAL  43  -0.925   9.078   2.830
  337    H    TYR  44           H        TYR  44  -3.990   6.086   4.558
  338    HA   TYR  44           HA       TYR  44  -5.290   8.261   6.096
  339    HB2  TYR  44           HB2      TYR  44  -7.029   6.863   4.954
  340    HB3  TYR  44           HB3      TYR  44  -6.504   5.513   5.975
  341    HD1  TYR  44           HD1      TYR  44  -7.063   9.209   6.476
  342    HD2  TYR  44           HD2      TYR  44  -7.997   5.214   7.776
  343    HE1  TYR  44           HE1      TYR  44  -8.445  10.132   8.304
  344    HE2  TYR  44           HE2      TYR  44  -9.440   6.135   9.566
  345    HH   TYR  44           HH       TYR  44  -9.844   9.685  10.017
  346    H    ILE  45           H        ILE  45  -5.494   7.711   8.409
  347    HA   ILE  45           HA       ILE  45  -3.782   5.544   9.445
  348    HB   ILE  45           HB       ILE  45  -3.365   8.476  10.127
  349   HG12  ILE  45          HG12      ILE  45  -1.563   6.288   9.000
  350   HG13  ILE  45          HG13      ILE  45  -2.158   7.706   8.113
  351   HG21  ILE  45          HG21      ILE  45  -3.402   7.043  12.162
  352   HG22  ILE  45          HG22      ILE  45  -2.223   5.950  11.407
  353   HG23  ILE  45          HG23      ILE  45  -1.769   7.622  11.820
  354   HD11  ILE  45          HD11      ILE  45  -0.896   9.167   9.713
  355   HD12  ILE  45          HD12      ILE  45  -0.220   7.698  10.459
  356   HD13  ILE  45          HD13      ILE  45   0.143   8.072   8.769
  357    HA   PRO  46           HA       PRO  46  -7.856   5.687  11.505
  358    HB2  PRO  46           HB2      PRO  46  -6.947   2.889  12.103
  359    HB3  PRO  46           HB3      PRO  46  -8.529   3.444  11.484
  360    HG2  PRO  46           HG2      PRO  46  -6.728   2.236   9.839
  361    HG3  PRO  46           HG3      PRO  46  -7.668   3.660   9.278
  362    HD2  PRO  46           HD2      PRO  46  -4.832   3.595  10.325
  363    HD3  PRO  46           HD3      PRO  46  -5.495   4.432   8.887
  364    H    ARG  47           H        ARG  47  -5.009   6.252  12.770
  365    HA   ARG  47           HA       ARG  47  -4.481   4.854  15.048
  366    HB2  ARG  47           HB2      ARG  47  -3.501   6.965  15.952
  367    HB3  ARG  47           HB3      ARG  47  -3.021   6.544  14.307
  368    HG2  ARG  47           HG2      ARG  47  -4.750   8.188  13.454
  369    HG3  ARG  47           HG3      ARG  47  -5.010   8.702  15.134
  370    HD2  ARG  47           HD2      ARG  47  -2.698   9.392  15.342
  371    HD3  ARG  47           HD3      ARG  47  -2.295   8.685  13.768
  372    HE   ARG  47           HE       ARG  47  -4.336  10.527  13.260
  373   HH11  ARG  47          HH11      ARG  47  -1.058  10.631  14.581
  374   HH12  ARG  47          HH12      ARG  47  -0.764  12.259  14.011
  375   HH21  ARG  47          HH21      ARG  47  -3.914  12.634  12.522
  376   HH22  ARG  47          HH22      ARG  47  -2.376  13.390  12.865
  377    H    ASP  48           H        ASP  48  -6.505   7.828  15.214
  378    HA   ASP  48           HA       ASP  48  -8.353   6.508  17.088
  379    HB2  ASP  48           HB2      ASP  48  -6.944   9.091  17.836
  380    HB3  ASP  48           HB3      ASP  48  -8.092   8.189  18.821
  381    H    ARG  49           H        ARG  49 -10.053   8.361  17.735
  382    HA   ARG  49           HA       ARG  49 -10.201  10.416  15.615
  383    HB2  ARG  49           HB2      ARG  49 -12.418  10.013  15.055
  384    HB3  ARG  49           HB3      ARG  49 -11.665   8.417  15.058
  385    HG2  ARG  49           HG2      ARG  49 -12.664   7.972  17.309
  386    HG3  ARG  49           HG3      ARG  49 -13.414   9.585  17.275
  387    HD2  ARG  49           HD2      ARG  49 -14.507   8.955  15.089
  388    HD3  ARG  49           HD3      ARG  49 -13.885   7.312  15.307
  389    HE   ARG  49           HE       ARG  49 -15.465   6.912  16.966
  390   HH11  ARG  49          HH11      ARG  49 -15.454  10.353  16.158
  391   HH12  ARG  49          HH12      ARG  49 -16.978  10.666  16.957
  392   HH21  ARG  49          HH21      ARG  49 -17.498   7.329  17.913
  393   HH22  ARG  49          HH22      ARG  49 -18.107   8.959  17.980
  394    H    TYR  50           H        TYR  50  -9.517  10.128  18.592
  395    HA   TYR  50           HA       TYR  50 -11.079  12.524  19.442
  396    HB2  TYR  50           HB2      TYR  50 -10.315  10.309  21.353
  397    HB3  TYR  50           HB3      TYR  50 -11.399  11.670  21.636
  398    HD1  TYR  50           HD1      TYR  50 -13.669  11.649  20.361
  399    HD2  TYR  50           HD2      TYR  50 -11.055   8.246  20.674
  400    HE1  TYR  50           HE1      TYR  50 -15.581  10.140  19.899
  401    HE2  TYR  50           HE2      TYR  50 -12.953   6.730  20.236
  402    HH   TYR  50           HH       TYR  50 -16.285   7.958  19.720
  403    H    THR  51           H        THR  51  -8.052  10.744  19.319
  404    HA   THR  51           HA       THR  51  -6.707  12.907  20.871
  405    HB   THR  51           HB       THR  51  -5.367  11.203  22.009
  406   HG21  THR  51          HG21      THR  51  -8.306  10.441  22.251
  407   HG22  THR  51          HG22      THR  51  -7.046  10.272  23.483
  408   HG23  THR  51          HG23      THR  51  -7.585  11.894  23.004
  409    H    LYS  52           H        LYS  52  -6.857  10.963  18.082
  410    HA   LYS  52           HA       LYS  52  -5.368  10.353  16.473
  411    HB2  LYS  52           HB2      LYS  52  -5.044  13.370  16.690
  412    HB3  LYS  52           HB3      LYS  52  -4.631  12.397  15.263
  413    HG2  LYS  52           HG2      LYS  52  -6.982  11.621  15.101
  414    HG3  LYS  52           HG3      LYS  52  -7.407  12.611  16.513
  415    HD2  LYS  52           HD2      LYS  52  -6.701  14.653  15.307
  416    HD3  LYS  52           HD3      LYS  52  -6.273  13.669  13.891
  417    HE2  LYS  52           HE2      LYS  52  -8.618  12.889  13.734
  418    HE3  LYS  52           HE3      LYS  52  -9.042  13.874  15.146
  419    HZ1  LYS  52           HZ1      LYS  52  -7.998  14.921  12.592
  420    HZ2  LYS  52           HZ2      LYS  52  -9.568  14.983  13.077
  421    HZ3  LYS  52           HZ3      LYS  52  -8.417  15.826  13.893
  422    H    GLU  53           H        GLU  53  -3.926   9.277  18.293
  423    HA   GLU  53           HA       GLU  53  -1.201  10.380  17.864
  424    HB2  GLU  53           HB2      GLU  53  -0.630  10.232  20.220
  425    HB3  GLU  53           HB3      GLU  53  -1.979  11.346  19.972
  426    HG2  GLU  53           HG2      GLU  53  -3.573   9.619  20.703
  427    HG3  GLU  53           HG3      GLU  53  -2.258   8.441  20.857
  428    H    SER  54           H        SER  54  -3.199   7.616  17.985
  429    HA   SER  54           HA       SER  54  -1.101   5.725  18.668
  430    HB2  SER  54           HB2      SER  54  -3.587   5.394  19.039
  431    HB3  SER  54           HB3      SER  54  -3.768   5.214  17.287
  432    HG   SER  54           HG       SER  54  -3.472   3.203  18.373
  433    H    ARG  55           H        ARG  55  -0.167   7.463  16.717
  434    HA   ARG  55           HA       ARG  55  -0.588   6.661  14.029
  435    HB2  ARG  55           HB2      ARG  55   1.125   8.267  13.527
  436    HB3  ARG  55           HB3      ARG  55   0.173   8.898  14.881
  437    HG2  ARG  55           HG2      ARG  55   1.966   7.880  16.430
  438    HG3  ARG  55           HG3      ARG  55   2.943   7.642  14.970
  439    HD2  ARG  55           HD2      ARG  55   1.931  10.238  16.166
  440    HD3  ARG  55           HD3      ARG  55   3.610   9.737  15.973
  441    HE   ARG  55           HE       ARG  55   1.943  11.066  14.039
  442   HH11  ARG  55          HH11      ARG  55   4.576   8.691  14.266
  443   HH12  ARG  55          HH12      ARG  55   5.125   9.005  12.636
  444   HH21  ARG  55          HH21      ARG  55   2.761  11.490  11.960
  445   HH22  ARG  55          HH22      ARG  55   4.157  10.615  11.373
  446    H    GLY  56           H        GLY  56   0.524   4.517  16.047
  447    HA2  GLY  56           HA2      GLY  56   3.127   3.768  15.144
  448    HA3  GLY  56           HA3      GLY  56   1.962   2.743  15.985
  449    H    PHE  57           H        PHE  57   0.264   3.778  13.327
  450    HA   PHE  57           HA       PHE  57   1.394   1.957  11.321
  451    HB2  PHE  57           HB2      PHE  57  -0.464   0.491  11.236
  452    HB3  PHE  57           HB3      PHE  57   0.101   0.494  12.911
  453    HD1  PHE  57           HD1      PHE  57  -1.153   1.973  14.605
  454    HD2  PHE  57           HD2      PHE  57  -2.670   1.058  10.689
  455    HE1  PHE  57           HE1      PHE  57  -3.417   2.670  15.317
  456    HE2  PHE  57           HE2      PHE  57  -4.932   1.747  11.396
  457    HZ   PHE  57           HZ       PHE  57  -5.321   2.549  13.721
  458    H    ALA  58           H        ALA  58  -0.496   1.768   9.540
  459    HA   ALA  58           HA       ALA  58  -2.035   4.230   9.252
  460    HB1  ALA  58           HB1      ALA  58   0.131   3.533   7.216
  461    HB2  ALA  58           HB2      ALA  58  -0.968   4.919   7.168
  462    HB3  ALA  58           HB3      ALA  58   0.277   4.831   8.432
  463    H    PHE  59           H        PHE  59  -2.857   4.151   6.788
  464    HA   PHE  59           HA       PHE  59  -3.469   1.422   5.900
  465    HB2  PHE  59           HB2      PHE  59  -5.156   2.154   7.650
  466    HB3  PHE  59           HB3      PHE  59  -5.660   3.426   6.548
  467    HD1  PHE  59           HD2      PHE  59  -5.366   1.519   3.962
  468    HD2  PHE  59           HD1      PHE  59  -7.288   1.155   7.802
  469    HE1  PHE  59           HE2      PHE  59  -6.971  -0.082   3.010
  470    HE2  PHE  59           HE1      PHE  59  -8.905  -0.445   6.826
  471    HZ   PHE  59           HZ       PHE  59  -8.722  -1.101   4.438
  472    H    VAL  60           H        VAL  60  -1.922   2.403   4.252
  473    HA   VAL  60           HA       VAL  60  -3.142   4.418   2.486
  474    HB   VAL  60           HB       VAL  60  -0.847   2.544   1.774
  475   HG11  VAL  60          HG11      VAL  60  -0.253   4.369   0.238
  476   HG12  VAL  60          HG12      VAL  60  -1.867   3.728  -0.115
  477   HG13  VAL  60          HG13      VAL  60  -1.685   5.280   0.749
  478   HG21  VAL  60          HG21      VAL  60   0.634   4.387   2.477
  479   HG22  VAL  60          HG22      VAL  60  -0.769   5.306   3.084
  480   HG23  VAL  60          HG23      VAL  60  -0.295   3.777   3.857
  481    H    ARG  61           H        ARG  61  -4.092   3.899   0.340
  482    HA   ARG  61           HA       ARG  61  -4.933   1.074   0.036
  483    HB2  ARG  61           HB2      ARG  61  -6.502   1.907   1.660
  484    HB3  ARG  61           HB3      ARG  61  -6.811   3.362   0.697
  485    HG2  ARG  61           HG2      ARG  61  -7.831   2.063  -1.082
  486    HG3  ARG  61           HG3      ARG  61  -7.357   0.541  -0.280
  487    HD2  ARG  61           HD2      ARG  61  -9.771   1.173   0.024
  488    HD3  ARG  61           HD3      ARG  61  -8.874   0.920   1.532
  489    HE   ARG  61           HE       ARG  61  -8.638   3.631   1.109
  490   HH11  ARG  61          HH11      ARG  61 -11.384   1.432   1.234
  491   HH12  ARG  61          HH12      ARG  61 -12.492   2.640   1.842
  492   HH21  ARG  61          HH21      ARG  61  -9.988   5.105   2.100
  493   HH22  ARG  61          HH22      ARG  61 -11.693   4.763   2.324
  494    H    PHE  62           H        PHE  62  -4.340   0.756  -2.021
  495    HA   PHE  62           HA       PHE  62  -4.612   2.839  -4.069
  496    HB2  PHE  62           HB2      PHE  62  -3.842  -0.095  -4.210
  497    HB3  PHE  62           HB3      PHE  62  -3.842   1.006  -5.582
  498    HD1  PHE  62           HD2      PHE  62  -2.250   0.493  -2.229
  499    HD2  PHE  62           HD1      PHE  62  -2.009   2.369  -6.095
  500    HE1  PHE  62           HE2      PHE  62   0.099   1.125  -1.772
  501    HE2  PHE  62           HE1      PHE  62   0.358   2.959  -5.652
  502    HZ   PHE  62           HZ       PHE  62   1.418   2.315  -3.508
  503    H    HIS  63           H        HIS  63  -5.720   2.328  -6.160
  504    HA   HIS  63           HA       HIS  63  -8.360   1.021  -5.636
  505    HB2  HIS  63           HB2      HIS  63  -7.773   3.433  -7.379
  506    HB3  HIS  63           HB3      HIS  63  -9.359   2.751  -7.033
  507    HD2  HIS  63           HD2      HIS  63  -7.969   5.757  -6.377
  508    HE1  HIS  63           HE1      HIS  63  -9.157   4.741  -2.413
  509    HE2  HIS  63           HE2      HIS  63  -8.509   6.661  -3.961
  510    H    ASP  64           H        ASP  64  -5.543   0.859  -7.516
  511    HA   ASP  64           HA       ASP  64  -7.062  -0.275  -9.844
  512    HB2  ASP  64           HB2      ASP  64  -4.428   1.238  -9.860
  513    HB3  ASP  64           HB3      ASP  64  -5.237   0.533 -11.269
  514    H    LYS  65           H        LYS  65  -6.313  -2.120 -10.801
  515    HA   LYS  65           HA       LYS  65  -5.173  -4.037  -9.069
  516    HB2  LYS  65           HB2      LYS  65  -5.603  -3.938 -12.081
  517    HB3  LYS  65           HB3      LYS  65  -5.046  -5.384 -11.249
  518    HG2  LYS  65           HG2      LYS  65  -7.678  -3.929 -10.687
  519    HG3  LYS  65           HG3      LYS  65  -7.490  -5.406 -11.640
  520    HD2  LYS  65           HD2      LYS  65  -6.932  -5.072  -8.663
  521    HD3  LYS  65           HD3      LYS  65  -8.223  -6.016  -9.428
  522    HE2  LYS  65           HE2      LYS  65  -6.497  -7.468 -10.500
  523    HE3  LYS  65           HE3      LYS  65  -5.229  -6.548  -9.670
  524    HZ1  LYS  65           HZ1      LYS  65  -6.211  -7.245  -7.578
  525    HZ2  LYS  65           HZ2      LYS  65  -7.372  -8.103  -8.370
  526    HZ3  LYS  65           HZ3      LYS  65  -5.795  -8.545  -8.493
  527    H    ARG  66           H        ARG  66  -3.662  -2.291 -11.848
  528    HA   ARG  66           HA       ARG  66  -1.278  -3.920 -11.631
  529    HB2  ARG  66           HB2      ARG  66  -0.422  -2.532 -13.397
  530    HB3  ARG  66           HB3      ARG  66  -2.101  -2.972 -13.741
  531    HG2  ARG  66           HG2      ARG  66  -2.838  -0.737 -12.849
  532    HG3  ARG  66           HG3      ARG  66  -1.128  -0.307 -12.628
  533    HD2  ARG  66           HD2      ARG  66  -2.433  -1.066 -15.275
  534    HD3  ARG  66           HD3      ARG  66  -2.072   0.585 -14.743
  535    HE   ARG  66           HE       ARG  66   0.301  -0.994 -14.604
  536   HH11  ARG  66          HH11      ARG  66  -1.865   0.496 -16.969
  537   HH12  ARG  66          HH12      ARG  66  -0.610   0.678 -18.175
  538   HH21  ARG  66          HH21      ARG  66   1.918  -0.746 -16.195
  539   HH22  ARG  66          HH22      ARG  66   1.522  -0.034 -17.741
  540    H    ASP  67           H        ASP  67  -2.194  -0.674 -10.449
  541    HA   ASP  67           HA       ASP  67   0.464  -0.001  -9.505
  542    HB2  ASP  67           HB2      ASP  67  -2.281   0.989  -8.635
  543    HB3  ASP  67           HB3      ASP  67  -0.733   1.733  -8.214
  544    H    ALA  68           H        ALA  68  -2.286  -1.856  -8.252
  545    HA   ALA  68           HA       ALA  68  -1.264  -1.859  -5.539
  546    HB1  ALA  68           HB1      ALA  68  -3.193  -3.448  -5.196
  547    HB2  ALA  68           HB2      ALA  68  -3.682  -1.921  -5.960
  548    HB3  ALA  68           HB3      ALA  68  -3.498  -3.395  -6.942
  549    H    GLU  69           H        GLU  69  -1.309  -4.168  -8.321
  550    HA   GLU  69           HA       GLU  69  -0.351  -6.361  -6.728
  551    HB2  GLU  69           HB2      GLU  69  -0.402  -5.821  -9.710
  552    HB3  GLU  69           HB3      GLU  69   0.294  -7.302  -9.008
  553    HG2  GLU  69           HG2      GLU  69  -1.827  -7.838  -7.905
  554    HG3  GLU  69           HG3      GLU  69  -2.566  -6.364  -8.518
  555    H    ASP  70           H        ASP  70   1.322  -3.710  -8.470
  556    HA   ASP  70           HA       ASP  70   3.928  -4.961  -8.108
  557    HB2  ASP  70           HB2      ASP  70   3.011  -2.135  -8.735
  558    HB3  ASP  70           HB3      ASP  70   4.715  -2.592  -8.562
  559    H    ALA  71           H        ALA  71   1.893  -2.625  -6.318
  560    HA   ALA  71           HA       ALA  71   3.889  -1.721  -4.531
  561    HB1  ALA  71           HB1      ALA  71   0.880  -1.957  -4.169
  562    HB2  ALA  71           HB2      ALA  71   1.970  -0.993  -3.144
  563    HB3  ALA  71           HB3      ALA  71   1.758  -0.574  -4.859
  564    H    MET  72           H        MET  72   1.883  -4.690  -4.476
  565    HA   MET  72           HA       MET  72   2.874  -5.251  -1.747
  566    HB2  MET  72           HB2      MET  72   1.351  -7.080  -1.712
  567    HB3  MET  72           HB3      MET  72   0.488  -5.737  -2.503
  568    HG2  MET  72           HG2      MET  72   1.331  -6.685  -4.692
  569    HG3  MET  72           HG3      MET  72   1.842  -8.122  -3.807
  570    HE1  MET  72           HE1      MET  72   0.124  -8.294  -6.318
  571    HE2  MET  72           HE2      MET  72   0.546  -9.719  -5.349
  572    HE3  MET  72           HE3      MET  72  -1.141  -9.461  -5.847
  573    H    ASP  73           H        ASP  73   3.553  -6.104  -5.094
  574    HA   ASP  73           HA       ASP  73   5.075  -8.481  -4.493
  575    HB2  ASP  73           HB2      ASP  73   4.043  -8.017  -6.697
  576    HB3  ASP  73           HB3      ASP  73   5.127  -6.632  -6.913
  577    H    ALA  74           H        ALA  74   5.684  -5.176  -3.901
  578    HA   ALA  74           HA       ALA  74   8.609  -5.755  -3.696
  579    HB1  ALA  74           HB1      ALA  74   7.209  -3.294  -4.732
  580    HB2  ALA  74           HB2      ALA  74   8.973  -3.409  -4.464
  581    HB3  ALA  74           HB3      ALA  74   8.192  -4.437  -5.689
  582    H    MET  75           H        MET  75   5.786  -4.611  -2.040
  583    HA   MET  75           HA       MET  75   7.607  -3.530   0.089
  584    HB2  MET  75           HB2      MET  75   4.652  -3.001  -0.329
  585    HB3  MET  75           HB3      MET  75   5.629  -2.376   0.996
  586    HG2  MET  75           HG2      MET  75   6.187  -1.772  -1.931
  587    HG3  MET  75           HG3      MET  75   5.188  -0.774  -0.879
  588    HE1  MET  75           HE1      MET  75   6.211   1.425   0.077
  589    HE2  MET  75           HE2      MET  75   7.765   1.797  -0.717
  590    HE3  MET  75           HE3      MET  75   6.413   1.115  -1.658
  591    H    ASP  76           H        ASP  76   5.182  -6.085  -0.602
  592    HA   ASP  76           HA       ASP  76   4.523  -6.542   2.122
  593    HB2  ASP  76           HB2      ASP  76   3.286  -7.518   0.186
  594    HB3  ASP  76           HB3      ASP  76   4.675  -8.564  -0.154
  595    H    GLY  77           H        GLY  77   5.674  -7.303   3.758
  596    HA2  GLY  77           HA2      GLY  77   7.209  -8.547   4.950
  597    HA3  GLY  77           HA3      GLY  77   7.657  -9.392   3.462
  598    H    ALA  78           H        ALA  78   7.888  -6.063   2.874
  599    HA   ALA  78           HA       ALA  78  10.752  -6.106   2.746
  600    HB1  ALA  78           HB1      ALA  78   8.793  -3.773   2.614
  601    HB2  ALA  78           HB2      ALA  78  10.479  -3.769   2.053
  602    HB3  ALA  78           HB3      ALA  78   9.291  -4.790   1.240
  603    H    VAL  79           H        VAL  79  11.800  -3.903   3.682
  604    HA   VAL  79           HA       VAL  79  11.166  -3.634   6.573
  605    HB   VAL  79           HB       VAL  79  13.917  -4.337   5.452
  606   HG11  VAL  79          HG11      VAL  79  14.132  -2.883   7.371
  607   HG12  VAL  79          HG12      VAL  79  12.937  -3.844   8.282
  608   HG13  VAL  79          HG13      VAL  79  14.524  -4.537   7.870
  609   HG21  VAL  79          HG21      VAL  79  12.508  -6.317   5.432
  610   HG22  VAL  79          HG22      VAL  79  13.646  -6.430   6.785
  611   HG23  VAL  79          HG23      VAL  79  11.951  -5.981   7.094
  612    H    LEU  80           H        LEU  80  11.864  -1.611   7.427
  613    HA   LEU  80           HA       LEU  80  13.388   0.143   5.574
  614    HB2  LEU  80           HB2      LEU  80  11.884   1.935   5.678
  615    HB3  LEU  80           HB3      LEU  80  10.912   0.517   5.299
  616    HG   LEU  80           HG       LEU  80  11.157   1.970   7.980
  617   HD11  LEU  80          HD11      LEU  80   8.764   2.393   7.636
  618   HD12  LEU  80          HD12      LEU  80   9.722   3.014   6.281
  619   HD13  LEU  80          HD13      LEU  80   8.823   1.490   6.098
  620   HD21  LEU  80          HD21      LEU  80  10.956  -0.327   8.613
  621   HD22  LEU  80          HD22      LEU  80   9.327   0.362   8.714
  622   HD23  LEU  80          HD23      LEU  80   9.768  -0.661   7.329
  623    H    ASP  81           H        ASP  81  13.028  -1.021   8.743
  624    HA   ASP  81           HA       ASP  81  14.987   0.939   9.695
  625    HB2  ASP  81           HB2      ASP  81  12.731   1.987  10.045
  626    HB3  ASP  81           HB3      ASP  81  12.299   0.620  11.078
  627    H    GLY  82           H        GLY  82  14.179  -2.184   9.378
  628    HA2  GLY  82           HA2      GLY  82  15.397  -3.911  10.462
  629    HA3  GLY  82           HA3      GLY  82  15.402  -2.978  11.973
  630    H    ARG  83           H        ARG  83  12.331  -2.727  10.529
  631    HA   ARG  83           HA       ARG  83  11.248  -4.965  12.190
  632    HB2  ARG  83           HB2      ARG  83   9.193  -3.718  12.246
  633    HB3  ARG  83           HB3      ARG  83  10.509  -2.749  12.905
  634    HG2  ARG  83           HG2      ARG  83  10.530  -1.266  11.108
  635    HG3  ARG  83           HG3      ARG  83   9.775  -2.422   9.997
  636    HD2  ARG  83           HD2      ARG  83   8.209  -0.606  10.751
  637    HD3  ARG  83           HD3      ARG  83   7.653  -2.252  11.084
  638    HE   ARG  83           HE       ARG  83   9.077  -0.788  13.242
  639   HH11  ARG  83          HH11      ARG  83   6.022  -2.013  11.944
  640   HH12  ARG  83          HH12      ARG  83   5.212  -1.960  13.493
  641   HH21  ARG  83          HH21      ARG  83   7.976  -0.677  15.229
  642   HH22  ARG  83          HH22      ARG  83   6.300  -1.168  15.334
  643    H    GLU  84           H        GLU  84   8.720  -4.612  10.793
  644    HA   GLU  84           HA       GLU  84   9.359  -5.884   8.154
  645    HB2  GLU  84           HB2      GLU  84   7.287  -6.633  10.251
  646    HB3  GLU  84           HB3      GLU  84   7.203  -7.191   8.570
  647    HG2  GLU  84           HG2      GLU  84   9.479  -8.189   8.835
  648    HG3  GLU  84           HG3      GLU  84   9.483  -7.668  10.530
  649    H    LEU  85           H        LEU  85   7.517  -5.725   6.622
  650    HA   LEU  85           HA       LEU  85   5.732  -3.401   7.098
  651    HB2  LEU  85           HB2      LEU  85   7.561  -3.907   4.710
  652    HB3  LEU  85           HB3      LEU  85   6.206  -2.763   4.688
  653    HG   LEU  85           HG       LEU  85   8.593  -2.638   6.582
  654   HD11  LEU  85          HD11      LEU  85   9.225  -0.678   5.217
  655   HD12  LEU  85          HD12      LEU  85   9.199  -2.168   4.249
  656   HD13  LEU  85          HD13      LEU  85   7.862  -1.000   4.121
  657   HD21  LEU  85          HD21      LEU  85   6.633  -1.617   7.614
  658   HD22  LEU  85          HD22      LEU  85   7.694  -0.332   7.034
  659   HD23  LEU  85          HD23      LEU  85   6.240  -0.751   6.102
  660    H    ARG  86           H        ARG  86   3.831  -3.440   5.725
  661    HA   ARG  86           HA       ARG  86   3.204  -6.104   4.583
  662    HB2  ARG  86           HB2      ARG  86   1.893  -4.732   6.959
  663    HB3  ARG  86           HB3      ARG  86   0.996  -5.892   5.979
  664    HG2  ARG  86           HG2      ARG  86   3.616  -6.505   7.418
  665    HG3  ARG  86           HG3      ARG  86   2.004  -6.920   8.017
  666    HD2  ARG  86           HD2      ARG  86   3.142  -7.878   5.359
  667    HD3  ARG  86           HD3      ARG  86   3.152  -8.815   6.861
  668    HE   ARG  86           HE       ARG  86   0.729  -7.974   5.318
  669   HH11  ARG  86          HH11      ARG  86   2.210 -10.078   7.744
  670   HH12  ARG  86          HH12      ARG  86   0.791 -11.099   7.875
  671   HH21  ARG  86          HH21      ARG  86  -1.067  -9.291   5.515
  672   HH22  ARG  86          HH22      ARG  86  -1.060 -10.653   6.620
  673    H    VAL  87           H        VAL  87   1.639  -6.169   3.127
  674    HA   VAL  87           HA       VAL  87  -0.202  -4.010   2.660
  675    HB   VAL  87           HB       VAL  87   1.631  -2.914   1.593
  676   HG11  VAL  87          HG11      VAL  87   2.244  -5.584   0.272
  677   HG12  VAL  87          HG12      VAL  87   2.992  -4.029  -0.155
  678   HG13  VAL  87          HG13      VAL  87   3.244  -4.720   1.467
  679   HG21  VAL  87          HG21      VAL  87  -0.483  -3.016   0.263
  680   HG22  VAL  87          HG22      VAL  87   0.972  -2.868  -0.744
  681   HG23  VAL  87          HG23      VAL  87   0.155  -4.440  -0.588
  682    H    GLN  88           H        GLN  88  -1.976  -4.874   1.635
  683    HA   GLN  88           HA       GLN  88  -1.880  -7.103  -0.169
  684    HB2  GLN  88           HB2      GLN  88  -3.088  -8.717   1.298
  685    HB3  GLN  88           HB3      GLN  88  -1.437  -8.433   1.847
  686    HG2  GLN  88           HG2      GLN  88  -3.802  -6.921   3.014
  687    HG3  GLN  88           HG3      GLN  88  -3.298  -8.504   3.614
  688   HE21  GLN  88          HE22      GLN  88  -2.863  -5.171   4.013
  689   HE22  GLN  88          HE21      GLN  88  -1.399  -5.235   4.964
  690    H    MET  89           H        MET  89  -4.241  -7.913  -0.552
  691    HA   MET  89           HA       MET  89  -5.899  -5.636  -1.000
  692    HB2  MET  89           HB2      MET  89  -6.644  -8.593  -0.953
  693    HB3  MET  89           HB3      MET  89  -7.560  -7.284  -1.734
  694    HG2  MET  89           HG2      MET  89  -4.730  -8.164  -2.425
  695    HG3  MET  89           HG3      MET  89  -6.175  -8.518  -3.366
  696    HE1  MET  89           HE1      MET  89  -3.778  -5.915  -5.336
  697    HE2  MET  89           HE2      MET  89  -3.223  -7.021  -4.065
  698    HE3  MET  89           HE3      MET  89  -4.355  -7.605  -5.307
  699    H    ALA  90           H        ALA  90  -8.109  -5.312  -0.099
  700    HA   ALA  90           HA       ALA  90  -8.014  -5.763   2.845
  701    HB1  ALA  90           HB1      ALA  90  -7.634  -3.437   2.062
  702    HB2  ALA  90           HB2      ALA  90  -9.225  -3.458   1.268
  703    HB3  ALA  90           HB3      ALA  90  -9.115  -3.582   3.033
  704    H    ARG  91           H        ARG  91 -10.391  -4.970   3.655
  705    HA   ARG  91           HA       ARG  91 -12.437  -6.644   2.286
  706    HB2  ARG  91           HB2      ARG  91 -13.041  -7.646   4.391
  707    HB3  ARG  91           HB3      ARG  91 -11.280  -7.806   4.244
  708    HG2  ARG  91           HG2      ARG  91 -11.163  -5.576   5.568
  709    HG3  ARG  91           HG3      ARG  91 -12.878  -5.849   5.933
  710    HD2  ARG  91           HD2      ARG  91 -12.311  -8.017   6.965
  711    HD3  ARG  91           HD3      ARG  91 -10.600  -7.777   6.549
  712    HE   ARG  91           HE       ARG  91 -11.427  -5.519   8.030
  713   HH11  ARG  91          HH11      ARG  91 -10.988  -8.994   8.530
  714   HH12  ARG  91          HH12      ARG  91 -10.607  -8.814  10.228
  715   HH21  ARG  91          HH21      ARG  91 -10.917  -5.318  10.231
  716   HH22  ARG  91          HH22      ARG  91 -10.578  -6.740  11.190
  717    H    TYR  92           H        TYR  92 -14.653  -6.162   3.507
  718    HA   TYR  92           HA       TYR  92 -16.330  -4.614   3.588
  719    HB2  TYR  92           HB2      TYR  92 -14.358  -2.859   5.072
  720    HB3  TYR  92           HB3      TYR  92 -16.107  -2.880   5.243
  721    HD1  TYR  92           HD2      TYR  92 -16.525  -5.889   5.522
  722    HD2  TYR  92           HD1      TYR  92 -13.649  -3.191   7.235
  723    HE1  TYR  92           HE2      TYR  92 -16.269  -7.399   7.478
  724    HE2  TYR  92           HE1      TYR  92 -13.383  -4.693   9.190
  725    HH   TYR  92           HH       TYR  92 -14.058  -6.641  10.194
  726    H    GLY  93           H        GLY  93 -16.534  -1.916   3.567
  727    HA2  GLY  93           HA2      GLY  93 -14.939  -0.933   1.224
  728    HA3  GLY  93           HA3      GLY  93 -16.590  -0.391   1.644
  729    H    ARG  94           H        ARG  94 -16.333  -0.327   4.441
  730    HA   ARG  94           HA       ARG  94 -13.963   0.770   5.489
  731    HB2  ARG  94           HB2      ARG  94 -14.506   3.036   5.808
  732    HB3  ARG  94           HB3      ARG  94 -15.032   2.753   4.162
  733    HG2  ARG  94           HG2      ARG  94 -17.371   2.296   5.089
  734    HG3  ARG  94           HG3      ARG  94 -16.763   2.906   6.654
  735    HD2  ARG  94           HD2      ARG  94 -16.621   4.429   4.034
  736    HD3  ARG  94           HD3      ARG  94 -17.921   4.622   5.242
  737    HE   ARG  94           HE       ARG  94 -15.353   4.996   6.466
  738   HH11  ARG  94          HH11      ARG  94 -17.660   6.571   4.315
  739   HH12  ARG  94          HH12      ARG  94 -17.162   8.190   4.763
  740   HH21  ARG  94          HH21      ARG  94 -14.689   7.127   7.007
  741   HH22  ARG  94          HH22      ARG  94 -15.485   8.495   6.270
  742    HA   PRO  95           HA       PRO  95 -15.879  -0.973   9.053
  743    HB2  PRO  95           HB2      PRO  95 -15.575   0.945  11.050
  744    HB3  PRO  95           HB3      PRO  95 -14.271  -0.130  10.441
  745    HG2  PRO  95           HG2      PRO  95 -14.910   2.692   9.494
  746    HG3  PRO  95           HG3      PRO  95 -13.323   2.079  10.017
  747    HD2  PRO  95           HD2      PRO  95 -13.892   2.118   7.414
  748    HD3  PRO  95           HD3      PRO  95 -13.223   0.600   8.088
  749    HA   PRO  96           HA       PRO  96 -20.050   0.579   8.977
  750    HB2  PRO  96           HB2      PRO  96 -21.228  -1.196  10.677
  751    HB3  PRO  96           HB3      PRO  96 -20.572  -1.712   9.084
  752    HG2  PRO  96           HG2      PRO  96 -19.238  -1.893  11.802
  753    HG3  PRO  96           HG3      PRO  96 -19.396  -3.187  10.566
  754    HD2  PRO  96           HD2      PRO  96 -17.145  -1.648  10.803
  755    HD3  PRO  96           HD3      PRO  96 -17.739  -2.212   9.211
  756    H    ASP  97           H        ASP  97 -17.937   0.781  11.601
  757    HA   ASP  97           HA       ASP  97 -19.672   2.701  13.041
  758    HB2  ASP  97           HB2      ASP  97 -18.301   0.287  14.293
  759    HB3  ASP  97           HB3      ASP  97 -18.950   1.647  15.209
  760    H    SER  98           H        SER  98 -18.005   3.362  15.091
  761    HA   SER  98           HA       SER  98 -15.376   3.919  13.832
  762    HB2  SER  98           HB2      SER  98 -15.510   6.238  14.678
  763    HB3  SER  98           HB3      SER  98 -16.648   5.874  13.362
  764    HG   SER  98           HG       SER  98 -17.683   7.002  15.037
  765    H    HIS  99           H        HIS  99 -16.035   1.925  15.783
  766    HA   HIS  99           HA       HIS  99 -15.245   1.136  17.775
  767    HB2  HIS  99           HB2      HIS  99 -12.983   2.816  16.670
  768    HB3  HIS  99           HB3      HIS  99 -12.782   1.716  18.055
  769    HD2  HIS  99           HD2      HIS  99 -12.468   1.798  14.395
  770    HE1  HIS  99           HE1      HIS  99 -13.094  -2.323  15.248
  771    HE2  HIS  99           HE2      HIS  99 -12.349  -0.640  13.469
  772    H    HIS 100           H        HIS 100 -17.028   2.947  18.485
  773    HA   HIS 100           HA       HIS 100 -16.317   5.212  19.938
  774    HB2  HIS 100           HB2      HIS 100 -18.493   3.222  20.672
  775    HB3  HIS 100           HB3      HIS 100 -18.456   4.955  21.040
  776    HD2  HIS 100           HD2      HIS 100 -20.050   2.647  18.729
  777    HE1  HIS 100           HE1      HIS 100 -19.710   6.194  16.409
  778    HE2  HIS 100           HE2      HIS 100 -20.816   3.912  16.559
  779    H    SER 101           H        SER 101 -16.177   5.648  22.209
  780    HA   SER 101           HA       SER 101 -15.495   3.444  24.027
  781    HB2  SER 101           HB2      SER 101 -13.357   3.944  22.857
  782    HB3  SER 101           HB3      SER 101 -13.512   5.649  23.321
  783    HG   SER 101           HG       SER 101 -13.321   3.408  25.054
  784    H5'    U 102           H5'        U 102  -4.929  -5.645  14.381
  785   H5''    U 102          H5''        U 102  -3.244  -5.829  14.944
  786    H4'    U 102           H4'        U 102  -4.645  -3.130  14.856
  787    H3'    U 102           H3'        U 102  -3.039  -4.609  12.751
  788    H2'    U 102           H2'        U 102  -2.078  -2.541  12.132
  789   HO2'    U 102          HO2'        U 102  -4.109  -1.434  11.966
  790    H1'    U 102           H1'        U 102  -2.363  -1.404  14.750
  791    H3     U 102           H3         U 102   1.782  -4.362  13.079
  792    H5     U 102           H5         U 102   2.071  -0.615  14.945
  793    H6     U 102           H6         U 102  -0.365  -0.608  15.154
  794   HO5'    U 102          HO5'        U 102  -3.909  -4.874  16.928
  795    H5'    C 103           H5'        C 103  -5.596  -1.543   9.410
  796   H5''    C 103          H5''        C 103  -6.345  -1.409  11.019
  797    H4'    C 103           H4'        C 103  -7.858  -0.528   9.290
  798    H3'    C 103           H3'        C 103  -8.548  -2.484  11.196
  799    H2'    C 103           H2'        C 103  -8.870  -4.252   9.789
  800   HO2'    C 103          HO2'        C 103 -11.189  -2.677   9.411
  801    H1'    C 103           H1'        C 103  -9.725  -2.525   7.465
  802    H41    C 103           H41        C 103  -8.004  -7.608   4.108
  803    H42    C 103           H42        C 103  -7.183  -8.325   5.478
  804    H5     C 103           H5         C 103  -6.972  -7.179   7.642
  805    H6     C 103           H6         C 103  -7.510  -5.171   8.855
  806    H5'    C 104           H5'        C 104 -11.434   2.285  10.918
  807   H5''    C 104          H5''        C 104 -11.386   1.279   9.457
  808    H4'    C 104           H4'        C 104 -10.088   4.023   9.863
  809    H3'    C 104           H3'        C 104 -12.490   2.947   8.403
  810    H2'    C 104           H2'        C 104 -12.125   4.003   6.483
  811   HO2'    C 104          HO2'        C 104 -11.857   6.141   7.416
  812    H1'    C 104           H1'        C 104  -9.359   4.184   6.566
  813    H41    C 104           H41        C 104 -10.989  -0.513   2.473
  814    H42    C 104           H42        C 104 -11.708  -1.451   3.762
  815    H5     C 104           H5         C 104 -11.811  -0.634   6.097
  816    H6     C 104           H6         C 104 -11.295   1.218   7.537
  817    H5'    A 105           H5'        A 105 -16.312   6.184  11.143
  818   H5''    A 105          H5''        A 105 -15.568   7.218   9.919
  819    H4'    A 105           H4'        A 105 -15.038   7.701  12.335
  820    H3'    A 105           H3'        A 105 -13.142   7.895  10.202
  821    H2'    A 105           H2'        A 105 -11.786   6.189  11.101
  822   HO2'    A 105          HO2'        A 105 -10.561   8.117  11.422
  823    H1'    A 105           H1'        A 105 -12.858   7.116  13.794
  824    H8     A 105           H8         A 105 -11.227   4.199  11.926
  825    H61    A 105           H61        A 105  -9.384   2.381  17.590
  826    H62    A 105           H62        A 105  -9.247   2.061  15.872
  827    H2     A 105           H2         A 105 -12.228   5.789  18.025
  828    H5'    G 106           H5'        G 106 -11.250  10.974  11.189
  829   H5''    G 106          H5''        G 106 -12.263  12.413  11.390
  830    H4'    G 106           H4'        G 106 -10.514  13.067   9.957
  831    H3'    G 106           H3'        G 106 -13.196  13.082   9.018
  832    H2'    G 106           H2'        G 106 -13.026  11.677   7.277
  833   HO2'    G 106          HO2'        G 106 -11.500  13.887   6.345
  834    H1'    G 106           H1'        G 106 -10.116  12.003   6.782
  835    H8     G 106           H8         G 106 -12.805   9.502   8.087
  836    H1     G 106           H1         G 106  -9.220   7.508   3.122
  837    H21    G 106           H21        G 106  -7.670   9.028   2.684
  838    H22    G 106           H22        G 106  -7.518  10.492   3.645
  839    H5'    U 107           H5'        U 107 -12.076  16.333   6.448
  840   H5''    U 107          H5''        U 107 -12.443  17.857   7.277
  841    H4'    U 107           H4'        U 107 -14.910  17.396   6.481
  842    H3'    U 107           H3'        U 107 -14.095  15.066   5.403
  843   HO3'    U 107          HO3'        U 107 -15.491  17.137   4.010
  844    H2'    U 107           H2'        U 107 -12.116  15.855   4.415
  845   HO2'    U 107          HO2'        U 107 -14.084  16.191   2.386
  846    H1'    U 107           H1'        U 107 -13.341  18.222   3.103
  847    H3     U 107           H3         U 107  -9.348  20.342   5.403
  848    H5     U 107           H5         U 107  -8.534  17.228   2.702
  849    H6     U 107           H6         U 107 -10.893  16.710   2.673
  Start of MODEL   20
    1    H    MET   1           H1       MET   1  -4.716  21.649   5.840
    2    HA   MET   1           HA       MET   1  -4.830  19.280   5.602
    3    HB2  MET   1           HB2      MET   1  -6.591  20.846   3.677
    4    HB3  MET   1           HB3      MET   1  -6.892  19.175   4.188
    5    HG2  MET   1           HG2      MET   1  -6.768  21.612   6.006
    6    HG3  MET   1           HG3      MET   1  -8.229  20.754   5.511
    7    HE1  MET   1           HE1      MET   1  -8.027  19.924   9.312
    8    HE2  MET   1           HE2      MET   1  -7.564  21.448   8.511
    9    HE3  MET   1           HE3      MET   1  -9.019  20.562   7.981
   10    H    SER   2           H        SER   2  -4.599  17.425   4.367
   11    HA   SER   2           HA       SER   2  -3.638  17.694   1.585
   12    HB2  SER   2           HB2      SER   2  -2.038  16.321   3.787
   13    HB3  SER   2           HB3      SER   2  -1.624  16.366   2.064
   14    HG   SER   2           HG       SER   2  -1.506  18.645   2.241
   15    H    TYR   3           H        TYR   3  -5.867  16.377   3.450
   16    HA   TYR   3           HA       TYR   3  -5.864  13.784   2.008
   17    HB2  TYR   3           HB2      TYR   3  -6.361  14.050   4.996
   18    HB3  TYR   3           HB3      TYR   3  -6.369  12.573   4.036
   19    HD1  TYR   3           HD1      TYR   3  -4.225  11.863   2.873
   20    HD2  TYR   3           HD2      TYR   3  -4.324  14.893   5.918
   21    HE1  TYR   3           HE1      TYR   3  -1.775  11.590   3.207
   22    HE2  TYR   3           HE2      TYR   3  -1.867  14.687   6.214
   23    HH   TYR   3           HH       TYR   3   0.096  12.382   4.296
   24    H    GLY   4           H        GLY   4  -8.106  12.637   2.600
   25    HA2  GLY   4           HA2      GLY   4 -10.312  14.440   3.086
   26    HA3  GLY   4           HA3      GLY   4 -10.100  14.059   1.364
   27    H    ARG   5           H        ARG   5 -12.445  13.341   2.377
   28    HA   ARG   5           HA       ARG   5 -12.693  10.891   3.697
   29    HB2  ARG   5           HB2      ARG   5 -14.989  10.955   2.873
   30    HB3  ARG   5           HB3      ARG   5 -14.468  12.579   3.332
   31    HG2  ARG   5           HG2      ARG   5 -13.961  13.048   0.910
   32    HG3  ARG   5           HG3      ARG   5 -14.620  11.447   0.504
   33    HD2  ARG   5           HD2      ARG   5 -16.120  13.739   1.831
   34    HD3  ARG   5           HD3      ARG   5 -16.279  13.221   0.155
   35    HE   ARG   5           HE       ARG   5 -17.325  11.177   0.862
   36   HH11  ARG   5          HH11      ARG   5 -16.801  13.491   3.509
   37   HH12  ARG   5          HH12      ARG   5 -18.001  12.743   4.532
   38   HH21  ARG   5          HH21      ARG   5 -18.857  10.222   2.253
   39   HH22  ARG   5          HH22      ARG   5 -19.148  10.910   3.829
   40    HA   PRO   6           HA       PRO   6 -11.640   7.822   0.745
   41    HB2  PRO   6           HB2      PRO   6 -13.184   5.720   1.563
   42    HB3  PRO   6           HB3      PRO   6 -11.853   6.385   2.564
   43    HG2  PRO   6           HG2      PRO   6 -14.813   7.037   2.747
   44    HG3  PRO   6           HG3      PRO   6 -13.709   6.561   4.083
   45    HD2  PRO   6           HD2      PRO   6 -14.290   9.181   3.541
   46    HD3  PRO   6           HD3      PRO   6 -12.649   8.700   4.054
   47    HA   PRO   7           HA       PRO   7 -14.472   7.839  -2.665
   48    HB2  PRO   7           HB2      PRO   7 -13.874   4.896  -2.905
   49    HB3  PRO   7           HB3      PRO   7 -13.832   6.161  -4.181
   50    HG2  PRO   7           HG2      PRO   7 -11.528   5.251  -3.070
   51    HG3  PRO   7           HG3      PRO   7 -11.755   7.010  -3.366
   52    HD2  PRO   7           HD2      PRO   7 -12.078   5.476  -0.787
   53    HD3  PRO   7           HD3      PRO   7 -11.282   7.061  -1.077
   54    HA   PRO   8           HA       PRO   8 -18.236   6.129  -0.979
   55    HB2  PRO   8           HB2      PRO   8 -19.993   6.743  -2.958
   56    HB3  PRO   8           HB3      PRO   8 -19.156   8.031  -2.027
   57    HG2  PRO   8           HG2      PRO   8 -18.368   6.866  -4.720
   58    HG3  PRO   8           HG3      PRO   8 -18.567   8.594  -4.290
   59    HD2  PRO   8           HD2      PRO   8 -16.129   7.334  -4.260
   60    HD3  PRO   8           HD3      PRO   8 -16.546   8.605  -3.069
   61    H    ASP   9           H        ASP   9 -16.374   4.595  -3.183
   62    HA   ASP   9           HA       ASP   9 -18.237   2.320  -3.418
   63    HB2  ASP   9           HB2      ASP   9 -17.901   2.103  -5.775
   64    HB3  ASP   9           HB3      ASP   9 -18.439   3.758  -5.441
   65    H    VAL  10           H        VAL  10 -15.700   3.125  -1.948
   66    HA   VAL  10           HA       VAL  10 -13.452   1.694  -2.836
   67    HB   VAL  10           HB       VAL  10 -13.465   3.328  -1.024
   68   HG11  VAL  10          HG11      VAL  10 -15.617   2.775   0.036
   69   HG12  VAL  10          HG12      VAL  10 -14.964   1.216   0.588
   70   HG13  VAL  10          HG13      VAL  10 -14.305   2.743   1.222
   71   HG21  VAL  10          HG21      VAL  10 -11.997   2.187   0.555
   72   HG22  VAL  10          HG22      VAL  10 -12.581   0.609   0.027
   73   HG23  VAL  10          HG23      VAL  10 -11.651   1.623  -1.100
   74    H    GLU  11           H        GLU  11 -16.476   0.444  -1.669
   75    HA   GLU  11           HA       GLU  11 -15.492  -2.106  -0.742
   76    HB2  GLU  11           HB2      GLU  11 -17.873  -2.712  -0.791
   77    HB3  GLU  11           HB3      GLU  11 -17.604  -1.143   0.015
   78    HG2  GLU  11           HG2      GLU  11 -18.291   0.032  -2.056
   79    HG3  GLU  11           HG3      GLU  11 -18.543  -1.523  -2.861
   80    H    GLY  12           H        GLY  12 -15.658  -0.790  -3.796
   81    HA2  GLY  12           HA2      GLY  12 -15.927  -3.455  -5.122
   82    HA3  GLY  12           HA3      GLY  12 -16.691  -1.996  -5.776
   83    H    MET  13           H        MET  13 -13.449  -1.955  -4.311
   84    HA   MET  13           HA       MET  13 -12.219  -1.900  -7.027
   85    HB2  MET  13           HB2      MET  13 -11.809   0.155  -4.825
   86    HB3  MET  13           HB3      MET  13 -10.808   0.017  -6.292
   87    HG2  MET  13           HG2      MET  13 -12.883   0.269  -7.672
   88    HG3  MET  13           HG3      MET  13 -13.788   0.607  -6.203
   89    HE1  MET  13           HE1      MET  13 -11.841   2.396  -4.489
   90    HE2  MET  13           HE2      MET  13 -12.291   4.023  -5.028
   91    HE3  MET  13           HE3      MET  13 -13.550   2.789  -4.765
   92    H    THR  14           H        THR  14  -9.706  -1.845  -6.747
   93    HA   THR  14           HA       THR  14  -8.978  -4.340  -5.694
   94    HB   THR  14           HB       THR  14  -7.180  -1.946  -6.223
   95   HG21  THR  14          HG21      THR  14  -5.575  -3.749  -6.901
   96   HG22  THR  14          HG22      THR  14  -5.983  -3.805  -5.171
   97   HG23  THR  14          HG23      THR  14  -6.728  -4.961  -6.303
   98    H    SER  15           H        SER  15  -8.823  -1.117  -4.230
   99    HA   SER  15           HA       SER  15  -8.237  -0.409  -2.157
  100    HB2  SER  15           HB2      SER  15 -10.005  -2.812  -1.568
  101    HB3  SER  15           HB3      SER  15  -9.640  -1.507  -0.408
  102    HG   SER  15           HG       SER  15 -11.594  -1.177  -1.641
  103    H    LEU  16           H        LEU  16  -6.017  -1.649  -3.024
  104    HA   LEU  16           HA       LEU  16  -5.035  -3.716  -1.275
  105    HB2  LEU  16           HB2      LEU  16  -4.114  -3.149  -3.550
  106    HB3  LEU  16           HB3      LEU  16  -3.524  -1.619  -2.884
  107    HG   LEU  16           HG       LEU  16  -2.338  -3.173  -1.092
  108   HD11  LEU  16          HD11      LEU  16  -2.610  -5.053  -3.472
  109   HD12  LEU  16          HD12      LEU  16  -1.736  -5.368  -1.958
  110   HD13  LEU  16          HD13      LEU  16  -3.508  -5.242  -1.947
  111   HD21  LEU  16          HD21      LEU  16  -1.136  -1.778  -2.689
  112   HD22  LEU  16          HD22      LEU  16  -0.401  -3.404  -2.706
  113   HD23  LEU  16          HD23      LEU  16  -1.507  -2.920  -4.001
  114    H    LYS  17           H        LYS  17  -5.383  -3.079   0.966
  115    HA   LYS  17           HA       LYS  17  -4.529  -0.491   1.819
  116    HB2  LYS  17           HB2      LYS  17  -5.195  -0.992   3.905
  117    HB3  LYS  17           HB3      LYS  17  -6.258  -2.022   2.936
  118    HG2  LYS  17           HG2      LYS  17  -4.892  -3.998   3.543
  119    HG3  LYS  17           HG3      LYS  17  -3.730  -2.932   4.379
  120    HD2  LYS  17           HD2      LYS  17  -5.692  -2.100   5.785
  121    HD3  LYS  17           HD3      LYS  17  -6.657  -3.395   5.069
  122    HE2  LYS  17           HE2      LYS  17  -5.840  -4.138   7.211
  123    HE3  LYS  17           HE3      LYS  17  -4.976  -5.051   5.964
  124    HZ1  LYS  17           HZ1      LYS  17  -3.931  -2.627   7.278
  125    HZ2  LYS  17           HZ2      LYS  17  -3.627  -4.143   7.804
  126    HZ3  LYS  17           HZ3      LYS  17  -3.087  -3.670   6.325
  127    H    VAL  18           H        VAL  18  -2.836  -0.175   3.599
  128    HA   VAL  18           HA       VAL  18  -0.418  -1.885   3.302
  129    HB   VAL  18           HB       VAL  18  -0.663   1.104   2.860
  130   HG11  VAL  18          HG11      VAL  18   1.832  -0.623   2.825
  131   HG12  VAL  18          HG12      VAL  18   1.739   1.123   2.458
  132   HG13  VAL  18          HG13      VAL  18   1.383   0.552   4.094
  133   HG21  VAL  18          HG21      VAL  18  -1.292  -0.186   0.838
  134   HG22  VAL  18          HG22      VAL  18   0.238   0.674   0.604
  135   HG23  VAL  18          HG23      VAL  18   0.249  -1.074   0.929
  136    H    ASP  19           H        ASP  19   0.708  -1.999   5.218
  137    HA   ASP  19           HA       ASP  19   0.195  -0.099   7.405
  138    HB2  ASP  19           HB2      ASP  19  -0.663  -1.869   8.893
  139    HB3  ASP  19           HB3      ASP  19  -1.726  -1.628   7.504
  140    H    ASN  20           H        ASN  20   1.283  -0.953   9.459
  141    HA   ASN  20           HA       ASN  20   2.806  -2.072  10.666
  142    HB2  ASN  20           HB2      ASN  20   2.743  -3.849   8.720
  143    HB3  ASN  20           HB3      ASN  20   4.335  -3.180   8.343
  144   HD21  ASN  20          HD22      ASN  20   6.065  -3.622   9.772
  145   HD22  ASN  20          HD21      ASN  20   5.906  -4.727  11.133
  146    H    LEU  21           H        LEU  21   3.086   0.641   9.301
  147    HA   LEU  21           HA       LEU  21   5.807   1.221   8.841
  148    HB2  LEU  21           HB2      LEU  21   5.120   3.554   9.479
  149    HB3  LEU  21           HB3      LEU  21   4.217   2.808   8.165
  150    HG   LEU  21           HG       LEU  21   2.270   2.560   9.441
  151   HD11  LEU  21          HD11      LEU  21   3.106   1.605  11.534
  152   HD12  LEU  21          HD12      LEU  21   3.856   3.172  11.965
  153   HD13  LEU  21          HD13      LEU  21   2.092   3.013  11.860
  154   HD21  LEU  21          HD21      LEU  21   1.788   4.782  10.282
  155   HD22  LEU  21          HD22      LEU  21   3.507   5.111  10.543
  156   HD23  LEU  21          HD23      LEU  21   2.877   4.951   8.884
  157    H    THR  22           H        THR  22   6.991   2.945  10.275
  158    HA   THR  22           HA       THR  22   7.578   1.642  12.834
  159    HB   THR  22           HB       THR  22   9.453   3.081  12.921
  160   HG21  THR  22          HG21      THR  22   8.928   2.596   9.961
  161   HG22  THR  22          HG22      THR  22  10.511   2.885  10.717
  162   HG23  THR  22          HG23      THR  22   9.595   1.401  11.100
  163    H    TYR  23           H        TYR  23   7.913   3.031  14.773
  164    HA   TYR  23           HA       TYR  23   5.534   4.482  15.447
  165    HB2  TYR  23           HB2      TYR  23   6.637   4.736  17.609
  166    HB3  TYR  23           HB3      TYR  23   6.788   3.084  17.010
  167    HD1  TYR  23           HD2      TYR  23   8.961   2.245  16.121
  168    HD2  TYR  23           HD1      TYR  23   8.594   6.103  17.993
  169    HE1  TYR  23           HE2      TYR  23  11.432   2.354  16.382
  170    HE2  TYR  23           HE1      TYR  23  11.057   6.213  18.253
  171    HH   TYR  23           HH       TYR  23  13.051   5.169  17.890
  172    H    ARG  24           H        ARG  24   7.731   5.500  13.343
  173    HA   ARG  24           HA       ARG  24   7.664   8.342  14.245
  174    HB2  ARG  24           HB2      ARG  24   9.979   6.761  13.050
  175    HB3  ARG  24           HB3      ARG  24   9.969   8.524  13.218
  176    HG2  ARG  24           HG2      ARG  24   9.827   6.520  15.502
  177    HG3  ARG  24           HG3      ARG  24  11.225   7.509  15.040
  178    HD2  ARG  24           HD2      ARG  24   9.779   9.563  15.406
  179    HD3  ARG  24           HD3      ARG  24   8.537   8.491  16.068
  180    HE   ARG  24           HE       ARG  24  11.292   8.585  17.233
  181   HH11  ARG  24          HH11      ARG  24   7.782   8.856  17.633
  182   HH12  ARG  24          HH12      ARG  24   7.887   9.023  19.370
  183   HH21  ARG  24          HH21      ARG  24  11.383   8.819  19.508
  184   HH22  ARG  24          HH22      ARG  24   9.903   8.990  20.414
  185    H    THR  25           H        THR  25   6.876   6.090  11.823
  186    HA   THR  25           HA       THR  25   7.359   7.729   9.496
  187    HB   THR  25           HB       THR  25   5.453   5.415  10.001
  188   HG21  THR  25          HG21      THR  25   6.445   6.669   7.409
  189   HG22  THR  25          HG22      THR  25   5.673   5.073   7.518
  190   HG23  THR  25          HG23      THR  25   4.749   6.524   7.951
  191    H    SER  26           H        SER  26   5.581   8.608   8.121
  192    HA   SER  26           HA       SER  26   3.239   9.592   9.647
  193    HB2  SER  26           HB2      SER  26   5.250  11.301   8.109
  194    HB3  SER  26           HB3      SER  26   3.714  11.897   8.764
  195    HG   SER  26           HG       SER  26   5.460  12.268  10.174
  196    HA   PRO  27           HA       PRO  27   1.137   8.628   6.021
  197    HB2  PRO  27           HB2      PRO  27  -0.873  10.464   5.805
  198    HB3  PRO  27           HB3      PRO  27  -0.787   9.263   7.137
  199    HG2  PRO  27           HG2      PRO  27   0.095  12.159   7.181
  200    HG3  PRO  27           HG3      PRO  27  -0.887  11.272   8.398
  201    HD2  PRO  27           HD2      PRO  27   1.809  11.682   8.648
  202    HD3  PRO  27           HD3      PRO  27   1.034  10.205   9.267
  203    H    ASP  28           H        ASP  28   2.694  11.761   6.123
  204    HA   ASP  28           HA       ASP  28   2.220  12.367   3.301
  205    HB2  ASP  28           HB2      ASP  28   2.672  14.113   5.043
  206    HB3  ASP  28           HB3      ASP  28   4.294  13.424   5.262
  207    H    THR  29           H        THR  29   4.634  10.678   5.303
  208    HA   THR  29           HA       THR  29   6.642  10.492   3.257
  209    HB   THR  29           HB       THR  29   6.339   8.285   5.241
  210   HG21  THR  29          HG21      THR  29   8.322   8.517   3.807
  211   HG22  THR  29          HG22      THR  29   8.618  10.143   4.460
  212   HG23  THR  29          HG23      THR  29   8.755   8.716   5.523
  213    H    LEU  30           H        LEU  30   4.042   8.280   4.435
  214    HA   LEU  30           HA       LEU  30   4.637   6.194   2.598
  215    HB2  LEU  30           HB2      LEU  30   1.974   6.903   3.885
  216    HB3  LEU  30           HB3      LEU  30   2.417   5.356   3.136
  217    HG   LEU  30           HG       LEU  30   3.867   6.542   5.540
  218   HD11  LEU  30          HD11      LEU  30   2.570   4.848   6.815
  219   HD12  LEU  30          HD12      LEU  30   1.518   6.062   6.061
  220   HD13  LEU  30          HD13      LEU  30   1.672   4.446   5.330
  221   HD21  LEU  30          HD21      LEU  30   5.200   4.930   4.199
  222   HD22  LEU  30          HD22      LEU  30   4.719   4.214   5.751
  223   HD23  LEU  30          HD23      LEU  30   3.859   3.765   4.266
  224    H    ARG  31           H        ARG  31   2.719   9.172   2.286
  225    HA   ARG  31           HA       ARG  31   1.281   8.419  -0.070
  226    HB2  ARG  31           HB2      ARG  31   0.562  10.376   1.098
  227    HB3  ARG  31           HB3      ARG  31   2.197  11.064   1.095
  228    HG2  ARG  31           HG2      ARG  31   0.745  12.223  -0.519
  229    HG3  ARG  31           HG3      ARG  31   2.092  11.411  -1.323
  230    HD2  ARG  31           HD2      ARG  31   0.513   9.468  -1.798
  231    HD3  ARG  31           HD3      ARG  31  -0.805  10.483  -1.189
  232    HE   ARG  31           HE       ARG  31   0.817  10.890  -3.653
  233   HH11  ARG  31          HH11      ARG  31  -1.890  11.975  -1.632
  234   HH12  ARG  31          HH12      ARG  31  -2.539  13.003  -2.886
  235   HH21  ARG  31          HH21      ARG  31  -0.034  12.209  -5.219
  236   HH22  ARG  31          HH22      ARG  31  -1.496  13.131  -4.937
  237    H    ARG  32           H        ARG  32   4.512   9.892   0.411
  238    HA   ARG  32           HA       ARG  32   4.949  10.075  -2.488
  239    HB2  ARG  32           HB2      ARG  32   5.870  11.740  -0.902
  240    HB3  ARG  32           HB3      ARG  32   6.778  10.459  -0.070
  241    HG2  ARG  32           HG2      ARG  32   8.056  10.025  -2.153
  242    HG3  ARG  32           HG3      ARG  32   7.155  11.332  -2.968
  243    HD2  ARG  32           HD2      ARG  32   7.992  12.941  -1.276
  244    HD3  ARG  32           HD3      ARG  32   8.891  11.629  -0.491
  245    HE   ARG  32           HE       ARG  32  10.476  11.657  -2.201
  246   HH11  ARG  32          HH11      ARG  32   7.777  13.790  -3.031
  247   HH12  ARG  32          HH12      ARG  32   8.625  14.522  -4.372
  248   HH21  ARG  32          HH21      ARG  32  11.567  12.655  -3.930
  249   HH22  ARG  32          HH22      ARG  32  10.762  13.869  -4.886
  250    H    VAL  33           H        VAL  33   6.042   8.025   0.208
  251    HA   VAL  33           HA       VAL  33   7.980   6.461  -1.115
  252    HB   VAL  33           HB       VAL  33   6.060   5.983   1.177
  253   HG11  VAL  33          HG11      VAL  33   6.495   3.781   0.227
  254   HG12  VAL  33          HG12      VAL  33   8.245   4.096   0.253
  255   HG13  VAL  33          HG13      VAL  33   7.322   3.984   1.782
  256   HG21  VAL  33          HG21      VAL  33   8.047   6.262   2.530
  257   HG22  VAL  33          HG22      VAL  33   9.093   6.287   1.078
  258   HG23  VAL  33          HG23      VAL  33   7.968   7.620   1.390
  259    H    PHE  34           H        PHE  34   4.421   6.243  -1.134
  260    HA   PHE  34           HA       PHE  34   4.592   3.690  -2.649
  261    HB2  PHE  34           HB2      PHE  34   2.490   5.066  -0.993
  262    HB3  PHE  34           HB3      PHE  34   2.045   3.826  -2.169
  263    HD1  PHE  34           HD1      PHE  34   4.062   4.425   0.917
  264    HD2  PHE  34           HD2      PHE  34   2.415   1.514  -1.783
  265    HE1  PHE  34           HE1      PHE  34   4.678   2.613   2.494
  266    HE2  PHE  34           HE2      PHE  34   3.005  -0.292  -0.190
  267    HZ   PHE  34           HZ       PHE  34   4.145   0.258   1.945
  268    H    GLU  35           H        GLU  35   4.159   7.036  -3.157
  269    HA   GLU  35           HA       GLU  35   2.238   6.921  -5.301
  270    HB2  GLU  35           HB2      GLU  35   2.593   8.999  -4.176
  271    HB3  GLU  35           HB3      GLU  35   4.326   9.005  -4.567
  272    HG2  GLU  35           HG2      GLU  35   3.844   9.382  -6.901
  273    HG3  GLU  35           HG3      GLU  35   2.112   9.077  -6.645
  274    H    LYS  36           H        LYS  36   5.646   6.124  -5.165
  275    HA   LYS  36           HA       LYS  36   6.183   6.557  -7.971
  276    HB2  LYS  36           HB2      LYS  36   8.279   5.464  -7.503
  277    HB3  LYS  36           HB3      LYS  36   7.846   6.511  -6.122
  278    HG2  LYS  36           HG2      LYS  36   7.014   4.536  -4.886
  279    HG3  LYS  36           HG3      LYS  36   7.450   3.493  -6.258
  280    HD2  LYS  36           HD2      LYS  36   9.175   3.360  -4.554
  281    HD3  LYS  36           HD3      LYS  36   9.824   4.147  -6.004
  282    HE2  LYS  36           HE2      LYS  36   9.496   6.363  -4.941
  283    HE3  LYS  36           HE3      LYS  36   8.795   5.577  -3.517
  284    HZ1  LYS  36           HZ1      LYS  36  11.547   5.195  -4.510
  285    HZ2  LYS  36           HZ2      LYS  36  11.118   6.102  -3.212
  286    HZ3  LYS  36           HZ3      LYS  36  10.904   4.472  -3.183
  287    H    TYR  37           H        TYR  37   4.594   4.086  -6.187
  288    HA   TYR  37           HA       TYR  37   4.978   1.974  -8.201
  289    HB2  TYR  37           HB2      TYR  37   3.201   2.165  -5.735
  290    HB3  TYR  37           HB3      TYR  37   3.406   0.720  -6.710
  291    HD1  TYR  37           HD1      TYR  37   5.186   3.103  -4.486
  292    HD2  TYR  37           HD2      TYR  37   5.260  -0.721  -6.441
  293    HE1  TYR  37           HE1      TYR  37   7.171   2.479  -3.150
  294    HE2  TYR  37           HE2      TYR  37   7.244  -1.368  -5.100
  295    HH   TYR  37           HH       TYR  37   8.770   0.863  -2.751
  296    H    GLY  38           H        GLY  38   2.883   4.678  -7.765
  297    HA2  GLY  38           HA2      GLY  38   1.413   4.827  -9.927
  298    HA3  GLY  38           HA3      GLY  38   0.604   3.438  -9.172
  299    H    ARG  39           H        ARG  39  -1.119   5.282  -9.357
  300    HA   ARG  39           HA       ARG  39  -1.039   7.354  -7.352
  301    HB2  ARG  39           HB2      ARG  39  -3.427   7.639  -7.756
  302    HB3  ARG  39           HB3      ARG  39  -2.521   7.552  -9.268
  303    HG2  ARG  39           HG2      ARG  39  -3.262   5.195  -9.573
  304    HG3  ARG  39           HG3      ARG  39  -4.212   5.309  -8.066
  305    HD2  ARG  39           HD2      ARG  39  -5.517   7.156  -8.977
  306    HD3  ARG  39           HD3      ARG  39  -4.535   7.158 -10.457
  307    HE   ARG  39           HE       ARG  39  -5.731   4.573  -9.984
  308   HH11  ARG  39          HH11      ARG  39  -6.471   7.833 -11.144
  309   HH12  ARG  39          HH12      ARG  39  -7.753   7.285 -12.199
  310   HH21  ARG  39          HH21      ARG  39  -7.387   3.891 -11.370
  311   HH22  ARG  39          HH22      ARG  39  -8.283   5.054 -12.318
  312    H    VAL  40           H        VAL  40  -1.076   7.142  -5.270
  313    HA   VAL  40           HA       VAL  40  -1.276   4.661  -3.943
  314    HB   VAL  40           HB       VAL  40  -1.302   5.896  -1.865
  315   HG11  VAL  40          HG11      VAL  40   0.469   7.292  -3.909
  316   HG12  VAL  40          HG12      VAL  40   0.753   7.152  -2.153
  317   HG13  VAL  40          HG13      VAL  40   0.799   5.702  -3.171
  318   HG21  VAL  40          HG21      VAL  40  -2.941   7.656  -2.452
  319   HG22  VAL  40          HG22      VAL  40  -1.452   8.328  -1.787
  320   HG23  VAL  40          HG23      VAL  40  -1.740   8.404  -3.542
  321    H    GLY  41           H        GLY  41  -3.802   6.671  -5.106
  322    HA2  GLY  41           HA2      GLY  41  -6.055   6.264  -5.218
  323    HA3  GLY  41           HA3      GLY  41  -5.821   4.797  -4.248
  324    H    ASP  42           H        ASP  42  -5.004   5.475  -1.859
  325    HA   ASP  42           HA       ASP  42  -6.189   7.936  -0.824
  326    HB2  ASP  42           HB2      ASP  42  -8.098   6.269  -0.966
  327    HB3  ASP  42           HB3      ASP  42  -7.204   5.228   0.148
  328    H    VAL  43           H        VAL  43  -5.679   8.120   1.567
  329    HA   VAL  43           HA       VAL  43  -3.587   6.330   2.585
  330    HB   VAL  43           HB       VAL  43  -2.183   7.671   1.247
  331   HG11  VAL  43          HG11      VAL  43  -3.774  10.068   2.215
  332   HG12  VAL  43          HG12      VAL  43  -2.254  10.177   1.285
  333   HG13  VAL  43          HG13      VAL  43  -3.695   9.433   0.566
  334   HG21  VAL  43          HG21      VAL  43  -1.443   7.424   3.612
  335   HG22  VAL  43          HG22      VAL  43  -0.839   8.903   2.849
  336   HG23  VAL  43          HG23      VAL  43  -2.197   8.989   3.992
  337    H    TYR  44           H        TYR  44  -3.880   6.105   4.717
  338    HA   TYR  44           HA       TYR  44  -4.864   8.400   6.299
  339    HB2  TYR  44           HB2      TYR  44  -6.812   7.065   5.297
  340    HB3  TYR  44           HB3      TYR  44  -6.361   5.803   6.445
  341    HD1  TYR  44           HD2      TYR  44  -6.517   9.573   6.628
  342    HD2  TYR  44           HD1      TYR  44  -7.867   5.820   8.237
  343    HE1  TYR  44           HE2      TYR  44  -7.797  10.787   8.375
  344    HE2  TYR  44           HE1      TYR  44  -9.200   7.030   9.940
  345    HH   TYR  44           HH       TYR  44  -9.744   9.069  10.840
  346    H    ILE  45           H        ILE  45  -4.544   8.182   8.518
  347    HA   ILE  45           HA       ILE  45  -3.495   5.662   9.619
  348    HB   ILE  45           HB       ILE  45  -2.139   8.365   9.993
  349   HG12  ILE  45          HG12      ILE  45  -1.112   5.656   9.020
  350   HG13  ILE  45          HG13      ILE  45  -1.426   7.069   7.982
  351   HG21  ILE  45          HG21      ILE  45  -2.468   7.083  12.146
  352   HG22  ILE  45          HG22      ILE  45  -1.669   5.692  11.393
  353   HG23  ILE  45          HG23      ILE  45  -0.762   7.189  11.686
  354   HD11  ILE  45          HD11      ILE  45   0.943   6.929   8.436
  355   HD12  ILE  45          HD12      ILE  45   0.275   8.340   9.299
  356   HD13  ILE  45          HD13      ILE  45   0.666   6.846  10.185
  357    HA   PRO  46           HA       PRO  46  -7.173   7.433  11.399
  358    HB2  PRO  46           HB2      PRO  46  -8.307   5.150  12.358
  359    HB3  PRO  46           HB3      PRO  46  -8.090   5.436  10.588
  360    HG2  PRO  46           HG2      PRO  46  -6.245   3.893  12.423
  361    HG3  PRO  46           HG3      PRO  46  -6.991   3.318  10.889
  362    HD2  PRO  46           HD2      PRO  46  -4.502   4.390  10.912
  363    HD3  PRO  46           HD3      PRO  46  -5.643   4.773   9.587
  364    H    ARG  47           H        ARG  47  -4.563   6.349  13.147
  365    HA   ARG  47           HA       ARG  47  -4.157   5.918  15.434
  366    HB2  ARG  47           HB2      ARG  47  -5.694   8.534  15.650
  367    HB3  ARG  47           HB3      ARG  47  -4.464   7.918  16.763
  368    HG2  ARG  47           HG2      ARG  47  -4.034   8.862  13.911
  369    HG3  ARG  47           HG3      ARG  47  -3.615   9.723  15.397
  370    HD2  ARG  47           HD2      ARG  47  -2.188   7.636  15.983
  371    HD3  ARG  47           HD3      ARG  47  -2.333   7.223  14.273
  372    HE   ARG  47           HE       ARG  47  -0.531   9.063  15.399
  373   HH11  ARG  47          HH11      ARG  47  -2.837   9.114  12.689
  374   HH12  ARG  47          HH12      ARG  47  -1.903  10.294  11.800
  375   HH21  ARG  47          HH21      ARG  47   0.620  10.589  14.204
  376   HH22  ARG  47          HH22      ARG  47   0.038  11.106  12.643
  377    H    ASP  48           H        ASP  48  -6.266   7.503  17.221
  378    HA   ASP  48           HA       ASP  48  -8.701   5.868  16.931
  379    HB2  ASP  48           HB2      ASP  48  -7.635   4.603  18.636
  380    HB3  ASP  48           HB3      ASP  48  -6.960   6.051  19.404
  381    H    ARG  49           H        ARG  49 -10.446   7.227  17.154
  382    HA   ARG  49           HA       ARG  49  -9.786   9.999  16.919
  383    HB2  ARG  49           HB2      ARG  49 -12.030  10.291  16.235
  384    HB3  ARG  49           HB3      ARG  49 -11.499   8.724  15.606
  385    HG2  ARG  49           HG2      ARG  49 -12.627   7.617  17.577
  386    HG3  ARG  49           HG3      ARG  49 -13.266   9.211  18.040
  387    HD2  ARG  49           HD2      ARG  49 -13.754   7.755  15.409
  388    HD3  ARG  49           HD3      ARG  49 -14.932   7.975  16.707
  389    HE   ARG  49           HE       ARG  49 -14.041   9.977  14.742
  390   HH11  ARG  49          HH11      ARG  49 -15.754   9.400  17.782
  391   HH12  ARG  49          HH12      ARG  49 -16.581  10.940  17.735
  392   HH21  ARG  49          HH21      ARG  49 -15.109  11.947  14.713
  393   HH22  ARG  49          HH22      ARG  49 -16.236  12.382  15.986
  394    H    TYR  50           H        TYR  50  -9.566   8.616  19.713
  395    HA   TYR  50           HA       TYR  50 -10.765  10.935  21.148
  396    HB2  TYR  50           HB2      TYR  50 -10.829   8.131  22.270
  397    HB3  TYR  50           HB3      TYR  50 -11.650   9.557  22.891
  398    HD1  TYR  50           HD1      TYR  50 -13.559  10.558  21.422
  399    HD2  TYR  50           HD2      TYR  50 -11.897   6.628  20.902
  400    HE1  TYR  50           HE1      TYR  50 -15.600   9.864  20.203
  401    HE2  TYR  50           HE2      TYR  50 -13.922   5.915  19.678
  402    HH   TYR  50           HH       TYR  50 -15.984   6.558  18.871
  403    H    THR  51           H        THR  51  -8.108   8.846  20.604
  404    HA   THR  51           HA       THR  51  -6.727   9.908  23.016
  405    HB   THR  51           HB       THR  51  -5.789   7.714  23.470
  406   HG21  THR  51          HG21      THR  51  -8.054   8.281  24.444
  407   HG22  THR  51          HG22      THR  51  -8.805   7.416  23.090
  408   HG23  THR  51          HG23      THR  51  -7.778   6.535  24.236
  409    H    LYS  52           H        LYS  52  -6.741   9.278  19.653
  410    HA   LYS  52           HA       LYS  52  -5.220   9.333  18.021
  411    HB2  LYS  52           HB2      LYS  52  -4.496  11.810  19.621
  412    HB3  LYS  52           HB3      LYS  52  -4.131  11.539  17.901
  413    HG2  LYS  52           HG2      LYS  52  -6.550  11.292  17.429
  414    HG3  LYS  52           HG3      LYS  52  -6.913  11.621  19.141
  415    HD2  LYS  52           HD2      LYS  52  -5.835  13.841  18.950
  416    HD3  LYS  52           HD3      LYS  52  -5.465  13.507  17.240
  417    HE2  LYS  52           HE2      LYS  52  -7.886  13.278  16.772
  418    HE3  LYS  52           HE3      LYS  52  -8.249  13.596  18.471
  419    HZ1  LYS  52           HZ1      LYS  52  -6.913  15.480  16.641
  420    HZ2  LYS  52           HZ2      LYS  52  -8.473  15.577  17.152
  421    HZ3  LYS  52           HZ3      LYS  52  -7.245  15.768  18.223
  422    H    GLU  53           H        GLU  53  -4.133   7.363  19.589
  423    HA   GLU  53           HA       GLU  53  -1.228   8.013  19.454
  424    HB2  GLU  53           HB2      GLU  53  -0.841   6.896  21.587
  425    HB3  GLU  53           HB3      GLU  53  -1.928   8.277  21.782
  426    HG2  GLU  53           HG2      GLU  53  -3.878   6.760  21.824
  427    HG3  GLU  53           HG3      GLU  53  -2.811   5.370  21.546
  428    H    SER  54           H        SER  54  -3.510   6.089  18.120
  429    HA   SER  54           HA       SER  54  -2.120   3.531  18.424
  430    HB2  SER  54           HB2      SER  54  -4.472   4.297  16.667
  431    HB3  SER  54           HB3      SER  54  -3.924   2.645  17.056
  432    HG   SER  54           HG       SER  54  -4.410   3.075  19.230
  433    H    ARG  55           H        ARG  55  -0.532   5.632  17.299
  434    HA   ARG  55           HA       ARG  55  -0.345   5.637  14.484
  435    HB2  ARG  55           HB2      ARG  55   0.622   7.229  16.217
  436    HB3  ARG  55           HB3      ARG  55   1.888   6.031  16.516
  437    HG2  ARG  55           HG2      ARG  55   2.623   6.240  14.135
  438    HG3  ARG  55           HG3      ARG  55   1.310   7.405  13.848
  439    HD2  ARG  55           HD2      ARG  55   2.273   8.879  15.585
  440    HD3  ARG  55           HD3      ARG  55   3.571   7.699  15.863
  441    HE   ARG  55           HE       ARG  55   3.618   8.308  13.119
  442   HH11  ARG  55          HH11      ARG  55   4.134   9.979  16.196
  443   HH12  ARG  55          HH12      ARG  55   5.237  11.144  15.508
  444   HH21  ARG  55          HH21      ARG  55   5.054   9.838  12.258
  445   HH22  ARG  55          HH22      ARG  55   5.768  11.062  13.281
  446    H    GLY  56           H        GLY  56  -0.059   2.922  16.296
  447    HA2  GLY  56           HA2      GLY  56   2.413   1.773  15.495
  448    HA3  GLY  56           HA3      GLY  56   0.993   0.910  16.096
  449    H    PHE  57           H        PHE  57  -0.272   2.481  13.458
  450    HA   PHE  57           HA       PHE  57   0.884   0.798  11.361
  451    HB2  PHE  57           HB2      PHE  57  -0.995  -0.508  10.904
  452    HB3  PHE  57           HB3      PHE  57  -0.779  -0.641  12.650
  453    HD1  PHE  57           HD2      PHE  57  -2.201   1.082  14.096
  454    HD2  PHE  57           HD1      PHE  57  -3.044   0.034  10.011
  455    HE1  PHE  57           HE2      PHE  57  -4.531   1.848  14.380
  456    HE2  PHE  57           HE1      PHE  57  -5.367   0.836  10.281
  457    HZ   PHE  57           HZ       PHE  57  -6.133   1.697  12.487
  458    H    ALA  58           H        ALA  58  -0.705   1.001   9.364
  459    HA   ALA  58           HA       ALA  58  -1.736   3.754   9.094
  460    HB1  ALA  58           HB1      ALA  58   0.472   2.567   7.352
  461    HB2  ALA  58           HB2      ALA  58  -0.356   4.112   7.056
  462    HB3  ALA  58           HB3      ALA  58   0.651   3.914   8.506
  463    H    PHE  59           H        PHE  59  -2.454   3.965   6.618
  464    HA   PHE  59           HA       PHE  59  -3.657   1.464   5.669
  465    HB2  PHE  59           HB2      PHE  59  -4.992   2.689   7.568
  466    HB3  PHE  59           HB3      PHE  59  -5.461   3.799   6.292
  467    HD1  PHE  59           HD2      PHE  59  -5.613   1.609   4.049
  468    HD2  PHE  59           HD1      PHE  59  -7.074   1.799   8.089
  469    HE1  PHE  59           HE2      PHE  59  -7.397  -0.026   3.487
  470    HE2  PHE  59           HE1      PHE  59  -8.845   0.170   7.528
  471    HZ   PHE  59           HZ       PHE  59  -8.988  -0.771   5.229
  472    H    VAL  60           H        VAL  60  -1.820   2.556   4.073
  473    HA   VAL  60           HA       VAL  60  -3.065   4.500   2.254
  474    HB   VAL  60           HB       VAL  60  -0.730   2.635   1.638
  475   HG11  VAL  60          HG11      VAL  60  -1.598   5.306   0.479
  476   HG12  VAL  60          HG12      VAL  60  -0.150   4.379   0.015
  477   HG13  VAL  60          HG13      VAL  60  -1.765   3.718  -0.311
  478   HG21  VAL  60          HG21      VAL  60  -0.716   5.444   2.829
  479   HG22  VAL  60          HG22      VAL  60  -0.214   3.955   3.667
  480   HG23  VAL  60          HG23      VAL  60   0.705   4.529   2.264
  481    H    ARG  61           H        ARG  61  -4.027   3.901   0.103
  482    HA   ARG  61           HA       ARG  61  -4.652   1.028  -0.206
  483    HB2  ARG  61           HB2      ARG  61  -6.256   1.721   1.448
  484    HB3  ARG  61           HB3      ARG  61  -6.725   3.131   0.472
  485    HG2  ARG  61           HG2      ARG  61  -7.594   1.680  -1.294
  486    HG3  ARG  61           HG3      ARG  61  -7.007   0.241  -0.425
  487    HD2  ARG  61           HD2      ARG  61  -9.415   0.540  -0.095
  488    HD3  ARG  61           HD3      ARG  61  -8.543   0.725   1.432
  489    HE   ARG  61           HE       ARG  61  -9.941   2.824  -0.121
  490   HH11  ARG  61          HH11      ARG  61  -7.765   2.089   2.578
  491   HH12  ARG  61          HH12      ARG  61  -8.256   3.505   3.484
  492   HH21  ARG  61          HH21      ARG  61 -10.498   4.695   1.101
  493   HH22  ARG  61          HH22      ARG  61  -9.681   4.986   2.631
  494    H    PHE  62           H        PHE  62  -4.179   0.702  -2.256
  495    HA   PHE  62           HA       PHE  62  -4.608   2.717  -4.331
  496    HB2  PHE  62           HB2      PHE  62  -3.769  -0.203  -4.475
  497    HB3  PHE  62           HB3      PHE  62  -3.752   0.925  -5.820
  498    HD1  PHE  62           HD2      PHE  62  -2.263   0.345  -2.425
  499    HD2  PHE  62           HD1      PHE  62  -1.881   2.295  -6.239
  500    HE1  PHE  62           HE2      PHE  62   0.055   1.002  -1.860
  501    HE2  PHE  62           HE1      PHE  62   0.450   2.924  -5.685
  502    HZ   PHE  62           HZ       PHE  62   1.431   2.259  -3.512
  503    H    HIS  63           H        HIS  63  -5.756   2.027  -6.409
  504    HA   HIS  63           HA       HIS  63  -8.218   0.461  -5.807
  505    HB2  HIS  63           HB2      HIS  63  -8.099   3.087  -7.318
  506    HB3  HIS  63           HB3      HIS  63  -9.550   2.165  -6.924
  507    HD2  HIS  63           HD2      HIS  63  -7.862   5.142  -5.886
  508    HE1  HIS  63           HE1      HIS  63  -9.505   3.744  -2.219
  509    HE2  HIS  63           HE2      HIS  63  -8.479   5.756  -3.404
  510    H    ASP  64           H        ASP  64  -5.533   0.427  -7.628
  511    HA   ASP  64           HA       ASP  64  -6.973  -0.634 -10.020
  512    HB2  ASP  64           HB2      ASP  64  -4.453   1.072 -10.009
  513    HB3  ASP  64           HB3      ASP  64  -5.215   0.344 -11.436
  514    H    LYS  65           H        LYS  65  -6.224  -2.550 -10.777
  515    HA   LYS  65           HA       LYS  65  -4.789  -4.158  -8.952
  516    HB2  LYS  65           HB2      LYS  65  -4.973  -5.902 -10.624
  517    HB3  LYS  65           HB3      LYS  65  -6.483  -4.983 -10.514
  518    HG2  LYS  65           HG2      LYS  65  -5.818  -3.696 -12.551
  519    HG3  LYS  65           HG3      LYS  65  -4.321  -4.634 -12.653
  520    HD2  LYS  65           HD2      LYS  65  -5.955  -5.555 -14.186
  521    HD3  LYS  65           HD3      LYS  65  -5.645  -6.720 -12.887
  522    HE2  LYS  65           HE2      LYS  65  -7.691  -5.960 -11.720
  523    HE3  LYS  65           HE3      LYS  65  -7.983  -4.767 -12.997
  524    HZ1  LYS  65           HZ1      LYS  65  -7.917  -7.689 -13.378
  525    HZ2  LYS  65           HZ2      LYS  65  -9.272  -6.759 -13.319
  526    HZ3  LYS  65           HZ3      LYS  65  -8.202  -6.578 -14.556
  527    H    ARG  66           H        ARG  66  -3.563  -2.354 -11.809
  528    HA   ARG  66           HA       ARG  66  -1.129  -3.948 -11.825
  529    HB2  ARG  66           HB2      ARG  66  -0.397  -2.482 -13.586
  530    HB3  ARG  66           HB3      ARG  66  -2.096  -2.886 -13.851
  531    HG2  ARG  66           HG2      ARG  66  -2.729  -0.670 -12.824
  532    HG3  ARG  66           HG3      ARG  66  -0.989  -0.304 -12.670
  533    HD2  ARG  66           HD2      ARG  66  -1.885   0.757 -14.668
  534    HD3  ARG  66           HD3      ARG  66  -0.729  -0.515 -15.115
  535    HE   ARG  66           HE       ARG  66  -3.379  -1.593 -15.067
  536   HH11  ARG  66          HH11      ARG  66  -1.345   0.586 -16.956
  537   HH12  ARG  66          HH12      ARG  66  -2.200   0.283 -18.453
  538   HH21  ARG  66          HH21      ARG  66  -4.477  -1.987 -17.036
  539   HH22  ARG  66          HH22      ARG  66  -3.964  -1.169 -18.494
  540    H    ASP  67           H        ASP  67  -2.055  -0.733 -10.566
  541    HA   ASP  67           HA       ASP  67   0.590  -0.040  -9.618
  542    HB2  ASP  67           HB2      ASP  67  -2.164   0.897  -8.743
  543    HB3  ASP  67           HB3      ASP  67  -0.630   1.669  -8.323
  544    H    ALA  68           H        ALA  68  -2.141  -1.946  -8.423
  545    HA   ALA  68           HA       ALA  68  -1.202  -1.947  -5.683
  546    HB1  ALA  68           HB1      ALA  68  -3.375  -3.509  -7.137
  547    HB2  ALA  68           HB2      ALA  68  -3.117  -3.530  -5.379
  548    HB3  ALA  68           HB3      ALA  68  -3.596  -2.018  -6.190
  549    H    GLU  69           H        GLU  69  -1.206  -4.324  -8.439
  550    HA   GLU  69           HA       GLU  69  -0.238  -6.456  -6.792
  551    HB2  GLU  69           HB2      GLU  69  -0.198  -6.004  -9.793
  552    HB3  GLU  69           HB3      GLU  69   0.489  -7.450  -9.017
  553    HG2  GLU  69           HG2      GLU  69  -1.668  -7.945  -7.953
  554    HG3  GLU  69           HG3      GLU  69  -2.406  -6.552  -8.753
  555    H    ASP  70           H        ASP  70   1.425  -3.849  -8.615
  556    HA   ASP  70           HA       ASP  70   4.053  -5.002  -8.142
  557    HB2  ASP  70           HB2      ASP  70   3.063  -2.199  -8.814
  558    HB3  ASP  70           HB3      ASP  70   4.772  -2.603  -8.599
  559    H    ALA  71           H        ALA  71   1.930  -2.711  -6.401
  560    HA   ALA  71           HA       ALA  71   3.879  -1.770  -4.580
  561    HB1  ALA  71           HB1      ALA  71   0.868  -2.062  -4.299
  562    HB2  ALA  71           HB2      ALA  71   1.904  -1.087  -3.229
  563    HB3  ALA  71           HB3      ALA  71   1.734  -0.645  -4.945
  564    H    MET  72           H        MET  72   1.898  -4.772  -4.537
  565    HA   MET  72           HA       MET  72   2.877  -5.292  -1.793
  566    HB2  MET  72           HB2      MET  72   1.428  -7.200  -1.776
  567    HB3  MET  72           HB3      MET  72   0.516  -5.832  -2.452
  568    HG2  MET  72           HG2      MET  72   1.149  -6.618  -4.720
  569    HG3  MET  72           HG3      MET  72   1.889  -8.055  -4.003
  570    HE1  MET  72           HE1      MET  72  -1.127  -9.620  -5.789
  571    HE2  MET  72           HE2      MET  72   0.004  -8.345  -6.305
  572    HE3  MET  72           HE3      MET  72   0.605  -9.753  -5.408
  573    H    ASP  73           H        ASP  73   3.555  -6.206  -5.131
  574    HA   ASP  73           HA       ASP  73   5.144  -8.517  -4.486
  575    HB2  ASP  73           HB2      ASP  73   4.151  -8.082  -6.713
  576    HB3  ASP  73           HB3      ASP  73   5.220  -6.681  -6.910
  577    H    ALA  74           H        ALA  74   5.678  -5.186  -3.922
  578    HA   ALA  74           HA       ALA  74   8.602  -5.731  -3.627
  579    HB1  ALA  74           HB1      ALA  74   8.961  -3.391  -4.374
  580    HB2  ALA  74           HB2      ALA  74   8.192  -4.403  -5.623
  581    HB3  ALA  74           HB3      ALA  74   7.197  -3.276  -4.667
  582    H    MET  75           H        MET  75   5.723  -4.638  -2.038
  583    HA   MET  75           HA       MET  75   7.477  -3.553   0.136
  584    HB2  MET  75           HB2      MET  75   4.546  -3.002  -0.370
  585    HB3  MET  75           HB3      MET  75   5.469  -2.417   1.009
  586    HG2  MET  75           HG2      MET  75   6.137  -1.748  -1.884
  587    HG3  MET  75           HG3      MET  75   5.108  -0.774  -0.841
  588    HE1  MET  75           HE1      MET  75   7.726   1.780  -0.584
  589    HE2  MET  75           HE2      MET  75   6.452   1.104  -1.642
  590    HE3  MET  75           HE3      MET  75   6.110   1.434   0.061
  591    H    ASP  76           H        ASP  76   5.015  -6.089  -0.598
  592    HA   ASP  76           HA       ASP  76   4.352  -6.567   2.119
  593    HB2  ASP  76           HB2      ASP  76   3.115  -7.534   0.199
  594    HB3  ASP  76           HB3      ASP  76   4.521  -8.564  -0.169
  595    H    GLY  77           H        GLY  77   5.621  -7.207   3.754
  596    HA2  GLY  77           HA2      GLY  77   7.165  -8.459   4.928
  597    HA3  GLY  77           HA3      GLY  77   7.568  -9.335   3.441
  598    H    ALA  78           H        ALA  78   7.771  -6.032   2.798
  599    HA   ALA  78           HA       ALA  78  10.652  -6.094   2.616
  600    HB1  ALA  78           HB1      ALA  78   8.658  -3.818   2.307
  601    HB2  ALA  78           HB2      ALA  78  10.360  -3.794   1.781
  602    HB3  ALA  78           HB3      ALA  78   9.207  -4.898   1.006
  603    H    VAL  79           H        VAL  79  11.559  -3.660   3.350
  604    HA   VAL  79           HA       VAL  79  11.130  -3.427   6.294
  605    HB   VAL  79           HB       VAL  79  13.768  -3.782   4.808
  606   HG11  VAL  79          HG11      VAL  79  14.820  -3.674   7.043
  607   HG12  VAL  79          HG12      VAL  79  14.076  -2.141   6.575
  608   HG13  VAL  79          HG13      VAL  79  13.254  -3.205   7.749
  609   HG21  VAL  79          HG21      VAL  79  12.629  -5.926   5.183
  610   HG22  VAL  79          HG22      VAL  79  14.029  -5.779   6.252
  611   HG23  VAL  79          HG23      VAL  79  12.392  -5.526   6.899
  612    H    LEU  80           H        LEU  80  11.571  -1.356   7.096
  613    HA   LEU  80           HA       LEU  80  12.150   0.747   5.032
  614    HB2  LEU  80           HB2      LEU  80   9.858   0.939   5.720
  615    HB3  LEU  80           HB3      LEU  80  10.293   0.754   7.431
  616    HG   LEU  80           HG       LEU  80  11.464   2.929   7.381
  617   HD11  LEU  80          HD11      LEU  80  12.190   2.938   5.035
  618   HD12  LEU  80          HD12      LEU  80  10.488   3.049   4.499
  619   HD13  LEU  80          HD13      LEU  80  11.238   4.389   5.399
  620   HD21  LEU  80          HD21      LEU  80   9.057   2.721   7.909
  621   HD22  LEU  80          HD22      LEU  80   9.459   4.302   7.189
  622   HD23  LEU  80          HD23      LEU  80   8.666   3.037   6.204
  623    H    ASP  81           H        ASP  81  12.164   0.353   8.633
  624    HA   ASP  81           HA       ASP  81  14.787   1.786   8.613
  625    HB2  ASP  81           HB2      ASP  81  14.205   2.845  10.607
  626    HB3  ASP  81           HB3      ASP  81  12.716   2.920   9.657
  627    H    GLY  82           H        GLY  82  13.311  -1.200   9.168
  628    HA2  GLY  82           HA2      GLY  82  15.332  -2.798   9.692
  629    HA3  GLY  82           HA3      GLY  82  15.179  -2.049  11.300
  630    H    ARG  83           H        ARG  83  12.110  -1.873  10.538
  631    HA   ARG  83           HA       ARG  83  11.433  -4.578  11.562
  632    HB2  ARG  83           HB2      ARG  83   9.233  -3.660  12.022
  633    HB3  ARG  83           HB3      ARG  83  10.488  -2.647  12.739
  634    HG2  ARG  83           HG2      ARG  83  10.265  -1.000  10.977
  635    HG3  ARG  83           HG3      ARG  83   9.175  -2.034  10.053
  636    HD2  ARG  83           HD2      ARG  83   8.061  -0.182  11.390
  637    HD3  ARG  83           HD3      ARG  83   7.417  -1.814  11.595
  638    HE   ARG  83           HE       ARG  83   7.752  -1.564  13.811
  639   HH11  ARG  83          HH11      ARG  83  10.466   0.155  12.265
  640   HH12  ARG  83          HH12      ARG  83  11.143   0.635  13.791
  641   HH21  ARG  83          HH21      ARG  83   8.683  -0.919  15.748
  642   HH22  ARG  83          HH22      ARG  83  10.165   0.004  15.752
  643    H    GLU  84           H        GLU  84   8.794  -4.584  10.514
  644    HA   GLU  84           HA       GLU  84   9.443  -5.493   7.744
  645    HB2  GLU  84           HB2      GLU  84   7.397  -6.394   9.806
  646    HB3  GLU  84           HB3      GLU  84   7.355  -6.909   8.106
  647    HG2  GLU  84           HG2      GLU  84   9.697  -7.783   8.371
  648    HG3  GLU  84           HG3      GLU  84   9.638  -7.322  10.079
  649    H    LEU  85           H        LEU  85   7.460  -5.450   6.286
  650    HA   LEU  85           HA       LEU  85   5.686  -3.113   6.772
  651    HB2  LEU  85           HB2      LEU  85   7.354  -3.695   4.292
  652    HB3  LEU  85           HB3      LEU  85   6.072  -2.476   4.383
  653    HG   LEU  85           HG       LEU  85   8.663  -2.513   5.997
  654   HD11  LEU  85          HD11      LEU  85   9.259  -0.609   4.562
  655   HD12  LEU  85          HD12      LEU  85   8.886  -2.030   3.575
  656   HD13  LEU  85          HD13      LEU  85   7.690  -0.720   3.735
  657   HD21  LEU  85          HD21      LEU  85   8.000  -0.222   6.692
  658   HD22  LEU  85          HD22      LEU  85   6.430  -0.431   5.881
  659   HD23  LEU  85          HD23      LEU  85   6.857  -1.428   7.292
  660    H    ARG  86           H        ARG  86   3.714  -3.246   5.447
  661    HA   ARG  86           HA       ARG  86   3.173  -5.920   4.290
  662    HB2  ARG  86           HB2      ARG  86   1.899  -4.732   6.751
  663    HB3  ARG  86           HB3      ARG  86   0.936  -5.721   5.657
  664    HG2  ARG  86           HG2      ARG  86   3.105  -7.346   5.864
  665    HG3  ARG  86           HG3      ARG  86   3.178  -6.540   7.450
  666    HD2  ARG  86           HD2      ARG  86   0.810  -7.959   6.178
  667    HD3  ARG  86           HD3      ARG  86   1.764  -8.561   7.560
  668    HE   ARG  86           HE       ARG  86   0.574  -5.930   8.004
  669   HH11  ARG  86          HH11      ARG  86  -0.039  -9.406   8.234
  670   HH12  ARG  86          HH12      ARG  86  -1.281  -9.211   9.451
  671   HH21  ARG  86          HH21      ARG  86  -1.025  -5.702   9.523
  672   HH22  ARG  86          HH22      ARG  86  -1.843  -7.100  10.191
  673    H    VAL  87           H        VAL  87   1.329  -6.068   3.059
  674    HA   VAL  87           HA       VAL  87  -0.391  -3.853   2.445
  675    HB   VAL  87           HB       VAL  87   1.522  -2.885   1.390
  676   HG11  VAL  87          HG11      VAL  87   2.047  -5.613   0.166
  677   HG12  VAL  87          HG12      VAL  87   2.909  -4.103  -0.223
  678   HG13  VAL  87          HG13      VAL  87   3.016  -4.797   1.410
  679   HG21  VAL  87          HG21      VAL  87  -0.534  -2.884   0.002
  680   HG22  VAL  87          HG22      VAL  87   0.953  -2.909  -0.977
  681   HG23  VAL  87          HG23      VAL  87   0.002  -4.397  -0.766
  682    H    GLN  88           H        GLN  88  -2.213  -4.728   1.591
  683    HA   GLN  88           HA       GLN  88  -2.231  -6.927  -0.250
  684    HB2  GLN  88           HB2      GLN  88  -3.377  -8.563   1.209
  685    HB3  GLN  88           HB3      GLN  88  -1.717  -8.294   1.721
  686    HG2  GLN  88           HG2      GLN  88  -4.095  -6.862   2.994
  687    HG3  GLN  88           HG3      GLN  88  -3.468  -8.407   3.573
  688   HE21  GLN  88          HE22      GLN  88  -3.344  -5.153   4.146
  689   HE22  GLN  88          HE21      GLN  88  -1.783  -5.069   4.949
  690    H    MET  89           H        MET  89  -4.561  -7.642  -0.678
  691    HA   MET  89           HA       MET  89  -6.172  -5.332  -1.062
  692    HB2  MET  89           HB2      MET  89  -6.770  -8.302  -1.274
  693    HB3  MET  89           HB3      MET  89  -7.907  -7.023  -1.730
  694    HG2  MET  89           HG2      MET  89  -6.772  -7.706  -3.724
  695    HG3  MET  89           HG3      MET  89  -6.222  -6.089  -3.296
  696    HE1  MET  89           HE1      MET  89  -2.957  -7.131  -4.895
  697    HE2  MET  89           HE2      MET  89  -4.619  -7.400  -5.491
  698    HE3  MET  89           HE3      MET  89  -4.195  -5.891  -4.653
  699    H    ALA  90           H        ALA  90  -8.156  -4.708  -0.155
  700    HA   ALA  90           HA       ALA  90  -8.354  -5.053   2.693
  701    HB1  ALA  90           HB1      ALA  90 -10.268  -3.764   0.704
  702    HB2  ALA  90           HB2      ALA  90 -10.313  -3.577   2.473
  703    HB3  ALA  90           HB3      ALA  90  -8.937  -2.948   1.553
  704    H    ARG  91           H        ARG  91 -10.729  -5.384   3.578
  705    HA   ARG  91           HA       ARG  91 -12.044  -7.721   2.291
  706    HB2  ARG  91           HB2      ARG  91 -11.957  -9.021   4.288
  707    HB3  ARG  91           HB3      ARG  91 -10.293  -8.467   3.928
  708    HG2  ARG  91           HG2      ARG  91 -10.759  -6.529   5.548
  709    HG3  ARG  91           HG3      ARG  91 -12.240  -7.381   6.006
  710    HD2  ARG  91           HD2      ARG  91  -9.426  -8.534   6.208
  711    HD3  ARG  91           HD3      ARG  91 -10.316  -7.801   7.551
  712    HE   ARG  91           HE       ARG  91 -11.869  -9.889   6.312
  713   HH11  ARG  91          HH11      ARG  91  -9.143  -9.352   8.498
  714   HH12  ARG  91          HH12      ARG  91  -9.371 -10.866   9.344
  715   HH21  ARG  91          HH21      ARG  91 -12.146 -11.856   7.438
  716   HH22  ARG  91          HH22      ARG  91 -11.068 -12.279   8.746
  717    H    TYR  92           H        TYR  92 -12.267  -4.767   3.817
  718    HA   TYR  92           HA       TYR  92 -15.142  -5.215   4.482
  719    HB2  TYR  92           HB2      TYR  92 -13.142  -3.532   6.025
  720    HB3  TYR  92           HB3      TYR  92 -14.871  -3.629   6.360
  721    HD1  TYR  92           HD1      TYR  92 -15.584  -6.395   6.379
  722    HD2  TYR  92           HD2      TYR  92 -11.922  -4.549   7.669
  723    HE1  TYR  92           HE1      TYR  92 -15.195  -8.274   7.944
  724    HE2  TYR  92           HE2      TYR  92 -11.525  -6.426   9.247
  725    HH   TYR  92           HH       TYR  92 -13.818  -9.169   9.534
  726    H    GLY  93           H        GLY  93 -16.086  -2.834   4.960
  727    HA2  GLY  93           HA2      GLY  93 -15.291  -1.062   2.700
  728    HA3  GLY  93           HA3      GLY  93 -16.985  -1.457   3.052
  729    H    ARG  94           H        ARG  94 -14.817  -1.155   5.708
  730    HA   ARG  94           HA       ARG  94 -13.979   0.808   6.727
  731    HB2  ARG  94           HB2      ARG  94 -16.750   1.894   6.214
  732    HB3  ARG  94           HB3      ARG  94 -15.652   2.586   7.411
  733    HG2  ARG  94           HG2      ARG  94 -13.905   2.943   5.742
  734    HG3  ARG  94           HG3      ARG  94 -14.876   2.171   4.488
  735    HD2  ARG  94           HD2      ARG  94 -15.089   4.539   4.194
  736    HD3  ARG  94           HD3      ARG  94 -16.636   3.967   4.858
  737    HE   ARG  94           HE       ARG  94 -14.888   4.749   6.984
  738   HH11  ARG  94          HH11      ARG  94 -16.892   6.154   4.434
  739   HH12  ARG  94          HH12      ARG  94 -17.080   7.683   5.266
  740   HH21  ARG  94          HH21      ARG  94 -15.139   6.729   8.033
  741   HH22  ARG  94          HH22      ARG  94 -16.108   8.000   7.322
  742    HA   PRO  95           HA       PRO  95 -14.873  -1.401  10.299
  743    HB2  PRO  95           HB2      PRO  95 -13.891   0.242  12.254
  744    HB3  PRO  95           HB3      PRO  95 -12.862  -0.568  11.028
  745    HG2  PRO  95           HG2      PRO  95 -13.945   2.271  10.942
  746    HG3  PRO  95           HG3      PRO  95 -12.260   1.747  10.672
  747    HD2  PRO  95           HD2      PRO  95 -13.906   2.157   8.585
  748    HD3  PRO  95           HD3      PRO  95 -12.781   0.765   8.594
  749    HA   PRO  96           HA       PRO  96 -18.685   0.309  12.099
  750    HB2  PRO  96           HB2      PRO  96 -19.645  -1.980  13.149
  751    HB3  PRO  96           HB3      PRO  96 -19.554  -1.786  11.369
  752    HG2  PRO  96           HG2      PRO  96 -17.560  -3.176  13.183
  753    HG3  PRO  96           HG3      PRO  96 -18.317  -3.813  11.689
  754    HD2  PRO  96           HD2      PRO  96 -15.839  -2.595  11.716
  755    HD3  PRO  96           HD3      PRO  96 -16.957  -2.478  10.319
  756    H    ASP  97           H        ASP  97 -19.597   0.011  14.425
  757    HA   ASP  97           HA       ASP  97 -19.340   0.470  16.621
  758    HB2  ASP  97           HB2      ASP  97 -19.283  -2.014  16.380
  759    HB3  ASP  97           HB3      ASP  97 -17.518  -1.951  16.474
  760    H    SER  98           H        SER  98 -17.402   1.989  14.997
  761    HA   SER  98           HA       SER  98 -15.506   2.589  17.222
  762    HB2  SER  98           HB2      SER  98 -14.819   2.514  14.252
  763    HB3  SER  98           HB3      SER  98 -13.746   3.063  15.548
  764    HG   SER  98           HG       SER  98 -14.862   0.472  15.234
  765    H    HIS  99           H        HIS  99 -17.514   3.664  14.527
  766    HA   HIS  99           HA       HIS  99 -17.686   6.308  15.741
  767    HB2  HIS  99           HB2      HIS  99 -15.678   6.597  14.362
  768    HB3  HIS  99           HB3      HIS  99 -16.482   5.881  12.972
  769    HD2  HIS  99           HD2      HIS  99 -17.298   8.873  15.375
  770    HE1  HIS  99           HE1      HIS  99 -18.203  10.101  11.404
  771    HE2  HIS  99           HE2      HIS  99 -18.170  10.820  13.855
  772    H    HIS 100           H        HIS 100 -19.559   7.384  15.112
  773    HA   HIS 100           HA       HIS 100 -21.292   6.466  12.987
  774    HB2  HIS 100           HB2      HIS 100 -23.103   5.734  14.631
  775    HB3  HIS 100           HB3      HIS 100 -21.767   4.608  14.407
  776    HD2  HIS 100           HD2      HIS 100 -23.184   7.083  17.030
  777    HE1  HIS 100           HE1      HIS 100 -20.327   4.633  19.014
  778    HE2  HIS 100           HE2      HIS 100 -22.119   6.422  19.329
  779    H    SER 101           H        SER 101 -23.522   7.533  13.305
  780    HA   SER 101           HA       SER 101 -23.411  10.062  14.829
  781    HB2  SER 101           HB2      SER 101 -23.848   9.884  11.820
  782    HB3  SER 101           HB3      SER 101 -24.067  11.343  12.803
  783    HG   SER 101           HG       SER 101 -21.998  11.253  11.832
  784    H5'    U 102           H5'        U 102  -7.821  -5.182  13.376
  785   H5''    U 102          H5''        U 102  -7.450  -4.529  14.995
  786    H4'    U 102           H4'        U 102  -6.827  -3.020  12.421
  787    H3'    U 102           H3'        U 102  -5.597  -5.436  13.222
  788    H2'    U 102           H2'        U 102  -4.792  -4.471  15.259
  789   HO2'    U 102          HO2'        U 102  -2.576  -4.022  14.909
  790    H1'    U 102           H1'        U 102  -4.316  -2.019  13.531
  791    H3     U 102           H3         U 102  -4.887  -1.332  18.785
  792    H5     U 102           H5         U 102  -1.566  -0.073  16.535
  793    H6     U 102           H6         U 102  -2.546  -1.219  14.599
  794   HO5'    U 102          HO5'        U 102  -9.606  -4.057  14.287
  795    H5'    C 103           H5'        C 103  -5.640  -2.245   9.042
  796   H5''    C 103          H5''        C 103  -5.981  -1.828  10.728
  797    H4'    C 103           H4'        C 103  -7.606  -0.664   9.501
  798    H3'    C 103           H3'        C 103  -8.539  -2.541  11.281
  799    H2'    C 103           H2'        C 103  -8.808  -4.316   9.745
  800   HO2'    C 103          HO2'        C 103 -11.193  -2.789   9.687
  801    H1'    C 103           H1'        C 103  -9.950  -2.484   7.643
  802    H41    C 103           H41        C 103  -7.930  -7.000   3.621
  803    H42    C 103           H42        C 103  -7.016  -7.787   4.887
  804    H5     C 103           H5         C 103  -6.873  -6.915   7.173
  805    H6     C 103           H6         C 103  -7.555  -5.150   8.633
  806    H5'    C 104           H5'        C 104  -8.934   2.762  11.410
  807   H5''    C 104          H5''        C 104 -10.686   2.683  11.665
  808    H4'    C 104           H4'        C 104  -9.811   4.659  10.309
  809    H3'    C 104           H3'        C 104 -11.950   2.919   9.086
  810    H2'    C 104           H2'        C 104 -12.005   4.439   7.317
  811   HO2'    C 104          HO2'        C 104 -11.889   6.414   8.502
  812    H1'    C 104           H1'        C 104  -9.277   4.794   7.160
  813    H41    C 104           H41        C 104 -11.199   0.497   2.848
  814    H42    C 104           H42        C 104 -11.785  -0.595   4.093
  815    H5     C 104           H5         C 104 -11.613  -0.081   6.484
  816    H6     C 104           H6         C 104 -10.955   1.626   8.080
  817    H5'    A 105           H5'        A 105 -15.701   6.832  10.636
  818   H5''    A 105          H5''        A 105 -14.992   8.278   9.909
  819    H4'    A 105           H4'        A 105 -14.846   8.394  12.333
  820    H3'    A 105           H3'        A 105 -12.712   8.852  10.541
  821    H2'    A 105           H2'        A 105 -11.615   6.864  11.199
  822   HO2'    A 105          HO2'        A 105 -10.825   8.902  13.026
  823    H1'    A 105           H1'        A 105 -12.670   7.554  13.988
  824    H8     A 105           H8         A 105 -10.790   5.079  11.939
  825    H61    A 105           H61        A 105 -10.131   1.854  17.234
  826    H62    A 105           H62        A 105  -9.630   1.942  15.552
  827    H2     A 105           H2         A 105 -12.940   5.198  17.940
  828    H5'    G 106           H5'        G 106 -13.350  11.499   9.336
  829   H5''    G 106          H5''        G 106 -11.914  10.569   9.827
  830    H4'    G 106           H4'        G 106 -11.048  13.224   9.946
  831    H3'    G 106           H3'        G 106 -13.325  13.494   8.461
  832    H2'    G 106           H2'        G 106 -13.035  11.995   6.743
  833   HO2'    G 106          HO2'        G 106 -11.224  14.055   5.993
  834    H1'    G 106           H1'        G 106 -10.153  11.959   6.414
  835    H8     G 106           H8         G 106 -13.061   9.958   8.135
  836    H1     G 106           H1         G 106  -9.398   6.727   3.985
  837    H21    G 106           H21        G 106  -7.798   8.020   3.227
  838    H22    G 106           H22        G 106  -7.560   9.663   3.793
  839    H5'    U 107           H5'        U 107 -12.454  16.060   5.748
  840   H5''    U 107          H5''        U 107 -12.977  17.686   6.226
  841    H4'    U 107           H4'        U 107 -15.409  16.503   5.861
  842    H3'    U 107           H3'        U 107 -14.057  14.426   4.864
  843   HO3'    U 107          HO3'        U 107 -16.030  15.896   3.413
  844    H2'    U 107           H2'        U 107 -12.425  15.692   3.692
  845   HO2'    U 107          HO2'        U 107 -14.484  15.224   1.780
  846    H1'    U 107           H1'        U 107 -14.394  17.453   2.321
  847    H3     U 107           H3         U 107 -11.143  20.931   3.938
  848    H5     U 107           H5         U 107  -9.556  17.889   1.513
  849    H6     U 107           H6         U 107 -11.615  16.661   1.798