*HEADER    ANTIFUNGAL PROTEIN                      04-NOV-00   1GH5              
*TITLE     ANTIFUNGAL PROTEIN FROM STREPTOMYCES TENDAE TU901, NMR                
*TITLE    2 AVERAGE STRUCTURE                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIFUNGAL PROTEIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: AFP1;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES TENDAE;                            
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: TU901;                                                       
*SOURCE   5 GENE: AFP;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET11A(NOVAGEN)                           
*KEYWDS    ALL-BETA, TWO ANTIPARALLEL BETA-SHEETS, PARALLEL BETA-                
*KEYWDS   2 SANDWICH                                                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    R.CAMPOS-OLIVAS, C.BORMANN, I.HOERR, G.JUNG, A.M.GRONENBORN           
*REVDAT   1   28-MAR-01 1GH5    0                                                
#Upper limit restrictions in DYANA format for AFP1
  1 MET  HA      2 ILE  HN      3.30                
  2 ILE  HN     30 GLY  HA1     5.00                
  2 ILE  HN     30 GLY  HA2     3.30                
  2 ILE  HA      3 ASN  HN      2.90                
  2 ILE  HA     28 ASN  HA      5.50                
  2 ILE  HA     28 ASN  HB2     3.30                
  2 ILE  HA     28 ASN  HB3     3.30                
  2 ILE  HB      3 ASN  HN      5.50                
  2 ILE  HB     30 GLY  HN      5.50                
  2 ILE  HB     30 GLY  HA2     5.00                
  2 ILE  HB     84 ILE  QG2     6.00                
  2 ILE  QG2     3 ASN  HN      6.50                
  2 ILE  QG2    30 GLY  HN      6.50                
  2 ILE  QG2    30 GLY  HA1     6.00                
  2 ILE  QG2    30 GLY  HA2     4.30                
  2 ILE  QG2    32 MET  HB2     4.30                
  2 ILE  QG2    32 MET  HB3     6.00                
  2 ILE  QG2    32 MET  QG      5.10                
  2 ILE  QG2    32 MET  QE      5.30                
  2 ILE  HG12    3 ASN  HN      5.50                
  2 ILE  HG13    3 ASN  HN      5.50                
  2 ILE  QG1     3 ASN  HN      5.18                
  2 ILE  QD1    26 PHE  QD      6.50                
  2 ILE  QD1    26 PHE  QE      8.20                
  2 ILE  QD1    30 GLY  HN      6.50                
  2 ILE  QD1    32 MET  HN      4.30                
  2 ILE  QD1    32 MET  QB      7.30                
  2 ILE  QD1    32 MET  QG      7.30                
  2 ILE  QD1    32 MET  QE      7.50                
  2 ILE  QD1    84 ILE  HB      4.30                
  2 ILE  QD1    84 ILE  QG2     4.70                
  2 ILE  QD1    84 ILE  QD1     7.00                
  2 ILE  QD1    85 ARG+ HA      6.00                
  2 ILE  QD1    85 ARG+ QB      7.30                
  2 ILE  QD1    86 ILE  QG2     7.00                
  2 ILE  QD1    86 ILE  QG1     6.88                
  2 ILE  QD1    86 ILE  QD1     5.30                
  3 ASN  HN     27 ALA  HN      3.30                
  3 ASN  HN     28 ASN  HB2     5.00                
  3 ASN  HA      4 ARG+ HN      2.90                
  3 ASN  HA     32 MET  QE      4.30                
  3 ASN  QB     32 MET  QE      6.80                
  4 ARG+ HN     26 PHE  QD      7.20                
  4 ARG+ HN     32 MET  QE      6.00                
  4 ARG+ HA      5 THR  HN      2.90                
  4 ARG+ HA     26 PHE  HA      3.30                
  4 ARG+ HA     26 PHE  QD      4.90                
  4 ARG+ HA     26 PHE  QE      5.50                
  4 ARG+ HA     27 ALA  HN      5.00                
  4 ARG+ QG     26 PHE  QD      8.58                
  4 ARG+ QG     32 MET  QE      6.50                
  4 ARG+ QD     24 LEU  QD2     4.50                
  5 THR  HN      5 THR  QG2     3.70                
  5 THR  HN     26 PHE  HA      3.30                
  5 THR  HN     26 PHE  QD      7.20                
  5 THR  QG2     8 ASN  HN      4.50                
  5 THR  QG2    12 TYR  QD      6.50                
  5 THR  QG2    12 TYR  QE      5.90                
  5 THR  QG2    25 CYSS HB2     6.00                
  5 THR  QG2    25 CYSS HB3     4.50                
  5 THR  QG2    26 PHE  HA      4.30                
  5 THR  QG2    27 ALA  HN      4.30                
  5 THR  QG2    27 ALA  QB      4.70                
  5 THR  OG1     8 ASN  ND2     3.20                
  5 THR  OG1     8 ASN  HD21    2.40                
  5 THR  O       7 CYSS N       3.20                
  5 THR  O       7 CYSS HN      2.40                
  5 THR  O      25 CYSS N       3.20                
  5 THR  O      25 CYSS HN      2.40                
  7 CYSS HA      8 ASN  HN      2.90                
  7 CYSS HA     12 TYR  QD      5.50                
  7 CYSS HA     12 TYR  QE      7.20                
  7 CYSS HA     25 CYSS HB2     5.00                
  7 CYSS CB     25 CYSS SG      3.10                
  7 CYSS HB2     8 ASN  HN      5.50                
  7 CYSS HB3     8 ASN  HN      5.50                
  7 CYSS QB      8 ASN  HN      5.18                
  7 CYSS QB     12 TYR  QD      6.38                
  7 CYSS SG     25 CYSS CB      3.10                
  7 CYSS SG     25 CYSS SG      2.10                
  8 ASN  HN      8 ASN  HD22    3.30                
  8 ASN  HN     12 TYR  QD      7.20                
  8 ASN  HN     12 TYR  QE      5.50                
  9 GLU- QG     12 TYR  QE      6.30                
 11 SER  HA     12 TYR  HN      3.30                
 11 SER  HA     45 GLY  QA      5.80                
 11 SER  HA     46 ASN  HN      5.00                
 11 SER  HA     70 TRP  HZ3     3.30                
 11 SER  HA     70 TRP  HZ2     5.50                
 11 SER  HA     70 TRP  HH2     3.30                
 11 SER  HB2    46 ASN  HN      5.00                
 11 SER  HB2    46 ASN  HB2     6.75                
 11 SER  HB2    46 ASN  HB3     6.75                
 11 SER  HB2    70 TRP  HZ3     5.00                
 11 SER  HB2    70 TRP  HZ2     5.00                
 11 SER  HB2    70 TRP  HH2     3.30                
 11 SER  HB3    46 ASN  HN      5.00                
 11 SER  HB3    46 ASN  HB2     6.75                
 11 SER  HB3    46 ASN  HB3     6.75                
 11 SER  HB3    70 TRP  HZ3     5.00                
 11 SER  HB3    70 TRP  HZ2     5.00                
 11 SER  HB3    70 TRP  HH2     3.30                
 11 SER  QB     46 ASN  QB      5.81                
 12 TYR  HN     12 TYR  HB2     3.30                
 12 TYR  HA     13 LEU  HN      2.90                
 12 TYR  HA     27 ALA  QB      6.50                
 12 TYR  HA     47 ASN  HD21    5.00                
 12 TYR  HA     47 ASN  HD22    3.30                
 12 TYR  HB2    13 LEU  HN      5.00                
 12 TYR  HB3    13 LEU  HN      3.30                
 12 TYR  QD     13 LEU  HN      7.70                
 12 TYR  QD     13 LEU  HB2     7.70                
 12 TYR  QD     13 LEU  HB3     7.70                
 12 TYR  QD     25 CYSS HB2     7.20                
 12 TYR  QD     25 CYSS HB3     5.50                
 12 TYR  QD     27 ALA  HA      7.70                
 12 TYR  QD     27 ALA  QB      5.90                
 12 TYR  QE     25 CYSS HB2     7.70                
 12 TYR  QE     25 CYSS HB3     7.70                
 12 TYR  QE     27 ALA  QB      6.50                
 12 TYR  O      45 GLY  N       3.20                
 12 TYR  O      45 GLY  HN      2.40                
 13 LEU  N      26 PHE  O       3.20                
 13 LEU  HN     13 LEU  HB2     3.30                
 13 LEU  HN     13 LEU  HB3     3.30                
 13 LEU  HN     13 LEU  QD1     6.50                
 13 LEU  HN     13 LEU  QD2     4.80                
 13 LEU  HN     26 PHE  HN      5.00                
 13 LEU  HN     26 PHE  O       2.40                
 13 LEU  HA     13 LEU  QD1     4.30                
 13 LEU  HA     13 LEU  QD2     6.00                
 13 LEU  HA     14 GLU- HN      2.90                
 13 LEU  HA     44 SER  HA      3.30                
 13 LEU  QD1    14 GLU- HN      3.70                
 13 LEU  QD1    26 PHE  QD      6.50                
 13 LEU  QD1    42 VAL  QG1     5.30                
 13 LEU  QD1    42 VAL  QG2     7.00                
 13 LEU  QD1    44 SER  HA      3.90                
 13 LEU  QD1    44 SER  HB2     6.00                
 13 LEU  QD1    44 SER  HB3     6.00                
 13 LEU  QD1    49 VAL  QQG     5.90                
 13 LEU  QD2    14 GLU- HN      6.50                
 13 LEU  QD2    27 ALA  HN      6.50                
 13 LEU  QD2    42 VAL  QG1     7.50                
 13 LEU  QD2    49 VAL  QQG     6.50                
 13 LEU  QQD    49 VAL  QQG     7.10                
 13 LEU  O      26 PHE  N       3.20                
 13 LEU  O      26 PHE  HN      2.40                
 14 GLU- N      43 GLU- O       3.20                
 14 GLU- HN     14 GLU- HB2     3.30                
 14 GLU- HN     14 GLU- QG      5.80                
 14 GLU- HN     43 GLU- HN      5.00                
 14 GLU- HN     43 GLU- O       2.40                
 14 GLU- HN     44 SER  HA      5.00                
 14 GLU- HA     15 ILE  HN      2.90                
 14 GLU- HA     23 THR  QG2     6.00                
 14 GLU- HA     25 CYSS HA      3.30                
 14 GLU- HA     26 PHE  HN      5.50                
 14 GLU- HB2    16 HIS+ HD2     5.00                
 14 GLU- HB2    23 THR  QG2     4.30                
 14 GLU- HB3    16 HIS+ HD2     5.00                
 14 GLU- HB3    23 THR  QG2     4.30                
 14 GLU- QG     23 THR  QG2     6.88                
 14 GLU- O      43 GLU- N       3.20                
 14 GLU- O      43 GLU- HN      2.40                
 15 ILE  N      24 LEU  O       3.20                
 15 ILE  HN     15 ILE  HB      3.30                
 15 ILE  HN     15 ILE  QG1     4.18                
 15 ILE  HN     23 THR  QG2     6.00                
 15 ILE  HN     24 LEU  HN      5.00                
 15 ILE  HN     24 LEU  O       2.40                
 15 ILE  HN     25 CYSS HA      5.00                
 15 ILE  HA     16 HIS+ HN      2.90                
 15 ILE  HA     16 HIS+ HD2     5.00                
 15 ILE  HA     42 VAL  HA      5.00                
 15 ILE  HA     42 VAL  QG1     6.00                
 15 ILE  HA     42 VAL  QG2     4.30                
 15 ILE  HA     43 GLU- HN      5.00                
 15 ILE  HB     24 LEU  HN      5.50                
 15 ILE  HB     24 LEU  HB2     5.00                
 15 ILE  HB     24 LEU  HB3     5.50                
 15 ILE  HB     24 LEU  HG      5.00                
 15 ILE  QG2    24 LEU  QD1     7.00                
 15 ILE  QG2    36 ILE  QG2     5.30                
 15 ILE  QG2    36 ILE  QD1     7.00                
 15 ILE  QG2    39 VAL  QG1     5.30                
 15 ILE  QG2    39 VAL  QG2     4.70                
 15 ILE  QG2    42 VAL  QG2     5.30                
 15 ILE  HG12   42 VAL  QQG     7.70                
 15 ILE  HG13   42 VAL  QQG     7.70                
 15 ILE  QG1    42 VAL  QQG     7.40                
 15 ILE  QD1    24 LEU  QD1     5.30                
 15 ILE  QD1    36 ILE  QG2     7.50                
 15 ILE  QD1    36 ILE  QD1     5.30                
 15 ILE  QD1    39 VAL  QG2     7.00                
 15 ILE  QD1    42 VAL  QG1     5.30                
 15 ILE  QD1    42 VAL  QG2     5.30                
 15 ILE  QD1    51 LEU  QD1     7.00                
 15 ILE  QD1    51 LEU  QD2     5.30                
 15 ILE  QD1    84 ILE  QG2     7.00                
 15 ILE  QD1    84 ILE  QD1     5.30                
 15 ILE  O      24 LEU  N       3.20                
 15 ILE  O      24 LEU  HN      2.40                
 16 HIS+ N      41 TRP  O       3.20                
 16 HIS+ HN     16 HIS+ HD2     3.30                
 16 HIS+ HN     17 ASN  HN      5.50                
 16 HIS+ HN     41 TRP  HN      5.50                
 16 HIS+ HN     41 TRP  O       2.40                
 16 HIS+ HN     42 VAL  HA      3.30                
 16 HIS+ HA     16 HIS+ HD2     5.50                
 16 HIS+ HA     17 ASN  HN      3.30                
 16 HIS+ HA     23 THR  HA      3.30                
 16 HIS+ HA     24 LEU  HN      5.50                
 16 HIS+ HD2    23 THR  QG2     6.00                
 16 HIS+ HD2    41 TRP  HD1     5.50                
 16 HIS+ HD2    41 TRP  HE1     5.00                
 16 HIS+ HD2    42 VAL  HA      3.30                
 16 HIS+ HD2    43 GLU- HN      5.00                
 16 HIS+ HD2    43 GLU- HG2     5.50                
 16 HIS+ HD2    43 GLU- HG3     5.50                
 16 HIS+ HE1    40 ASN  HB2     5.00                
 16 HIS+ HE1    40 ASN  HB3     5.00                
 16 HIS+ HE1    40 ASN  QB      4.14                
 16 HIS+ HE1    41 TRP  HA      5.00                
 16 HIS+ HE1    41 TRP  HB2     5.00                
 16 HIS+ HE1    41 TRP  HB3     5.00                
 17 ASN  N      22 ASP- O       3.20                
 17 ASN  HN     17 ASN  HB3     3.30                
 17 ASN  HN     22 ASP- HN      5.00                
 17 ASN  HN     22 ASP- HB2     5.50                
 17 ASN  HN     22 ASP- O       2.40                
 17 ASN  HN     23 THR  HA      3.50                
 17 ASN  HN     36 ILE  QG1     5.88                
 17 ASN  HA     18 ASN  HN      3.30                
 17 ASN  HA     20 GLY  HN      5.00                
 17 ASN  HA     39 VAL  HN      5.50                
 17 ASN  HA     39 VAL  HA      3.30                
 17 ASN  HA     40 ASN  HN      3.30                
 17 ASN  HA     41 TRP  HN      5.00                
 17 ASN  HB2    18 ASN  HN      3.30                
 17 ASN  HB2    39 VAL  HA      5.50                
 17 ASN  HB2    39 VAL  QG1     6.00                
 17 ASN  HB2    39 VAL  QG2     6.00                
 17 ASN  HB2    40 ASN  HN      5.50                
 17 ASN  HB3    18 ASN  HN      5.00                
 17 ASN  HB3    39 VAL  HA      5.50                
 17 ASN  HB3    39 VAL  QG1     6.00                
 17 ASN  HB3    39 VAL  QG2     6.00                
 17 ASN  HB3    40 ASN  HN      5.00                
 17 ASN  HD21   18 ASN  HN      5.00                
 17 ASN  HD21   37 TYR  HN      5.00                
 17 ASN  HD21   39 VAL  QQG     7.20                
 17 ASN  HD22   18 ASN  HN      5.50                
 17 ASN  HD22   37 TYR  HN      5.00                
 17 ASN  HD22   39 VAL  QQG     7.20                
 17 ASN  O      21 ARG+ N       3.20                
 17 ASN  O      21 ARG+ HN      2.40                
 18 ASN  N      38 GLY  O       3.20                
 18 ASN  HN     18 ASN  HA      2.70                
 18 ASN  HN     18 ASN  QB      3.68                
 18 ASN  HN     19 GLU- HN      5.00                
 18 ASN  HN     38 GLY  O       2.40                
 18 ASN  HN     39 VAL  HA      5.50                
 18 ASN  HA     19 GLU- HN      3.30                
 18 ASN  QB     22 ASP- HB2     6.38                
 18 ASN  QB     22 ASP- HB3     6.38                
 18 ASN  HD21   22 ASP- HB2     3.30                
 18 ASN  HD21   22 ASP- HB3     5.00                
 19 GLU- HN     19 GLU- HA      2.70                
 19 GLU- HN     19 GLU- HG2     5.00                
 19 GLU- HN     19 GLU- HG3     5.00                
 19 GLU- HN     20 GLY  HN      5.00                
 19 GLU- HN     40 ASN  HD22    5.00                
 19 GLU- HA     20 GLY  HN      3.30                
 19 GLU- HA     40 ASN  HD21    3.50                
 19 GLU- HA     40 ASN  HD22    3.30                
 19 GLU- QG     40 ASN  HN      6.30                
 19 GLU- QG     40 ASN  HD21    5.80                
 19 GLU- QG     40 ASN  HD22    6.30                
 20 GLY  HN     21 ARG+ HN      3.30                
 20 GLY  HA1    21 ARG+ HN      3.30                
 20 GLY  HA1    22 ASP- HN      5.00                
 21 ARG+ HN     21 ARG+ HB2     3.30                
 21 ARG+ HN     21 ARG+ HB3     3.30                
 21 ARG+ HN     21 ARG+ QG      5.88                
 21 ARG+ HN     21 ARG+ QD      5.80                
 21 ARG+ HN     22 ASP- HN      2.90                
 21 ARG+ QD     22 ASP- HN      4.10                
 22 ASP- HA     23 THR  HN      2.90                
 22 ASP- HB2    23 THR  HN      5.00                
 22 ASP- HB3    23 THR  HN      3.50                
 23 THR  HA     24 LEU  HN      2.90                
 24 LEU  HN     24 LEU  HB2     3.30                
 24 LEU  HA     25 CYSS HN      2.90                
 24 LEU  HB2    25 CYSS HN      5.00                
 24 LEU  HB2    26 PHE  QD      5.50                
 24 LEU  HB2    26 PHE  QE      5.50                
 24 LEU  HB2    26 PHE  HZ      3.30                
 24 LEU  HB3    25 CYSS HN      5.00                
 24 LEU  HB3    26 PHE  HZ      3.30                
 24 LEU  QQD    26 PHE  QE      7.10                
 24 LEU  QQD    26 PHE  HZ      4.90                
 25 CYSS HN     25 CYSS HB2     3.30                
 25 CYSS HN     26 PHE  QE      7.70                
 25 CYSS HA     26 PHE  HN      2.90                
 25 CYSS HA     26 PHE  QD      5.50                
 26 PHE  HA     27 ALA  HN      2.90                
 26 PHE  HB2    27 ALA  HN      5.00                
 26 PHE  HB3    27 ALA  HN      3.30                
 26 PHE  QB     86 ILE  QD1     5.10                
 26 PHE  QD     27 ALA  HN      5.50                
 26 PHE  QD     32 MET  QE      6.50                
 26 PHE  QD     84 ILE  QD1     6.50                
 26 PHE  QE     32 MET  QE      5.90                
 26 PHE  QE     34 VAL  QG1     5.90                
 26 PHE  QE     36 ILE  QD1     6.50                
 26 PHE  QE     84 ILE  QG2     8.20                
 26 PHE  QE     84 ILE  QD1     6.50                
 26 PHE  HZ     32 MET  QE      4.30                
 26 PHE  HZ     34 VAL  QG1     3.70                
 26 PHE  HZ     36 ILE  QD1     4.30                
 26 PHE  HZ     84 ILE  QD1     4.30                
 27 ALA  HA     28 ASN  HN      2.90                
 27 ALA  HA     86 ILE  QG2     6.50                
 27 ALA  HA     86 ILE  QD1     4.30                
 27 ALA  QB     28 ASN  HN      3.70                
 27 ALA  QB     86 ILE  QD1     7.50                
 28 ASN  HN     28 ASN  HA      2.70                
 28 ASN  HN     29 ALA  HN      5.50                
 28 ASN  HA     29 ALA  HN      2.90                
 28 ASN  HB2    29 ALA  HN      5.00                
 28 ASN  HB3    29 ALA  HN      2.90                
 29 ALA  HN     30 GLY  HN      5.50                
 29 ALA  HN     86 ILE  QG2     6.00                
 29 ALA  HA     30 GLY  HN      3.30                
 29 ALA  HA     86 ILE  HN      5.00                
 29 ALA  HA     86 ILE  HB      3.30                
 29 ALA  HA     86 ILE  QG2     3.70                
 29 ALA  HA     86 ILE  QD1     6.50                
 29 ALA  QB     86 ILE  QG2     5.50                
 29 ALA  QB     87 TYR  HA      6.00                
 30 GLY  HN     86 ILE  HN      5.00  1.00E+01                 
 30 GLY  HN     86 ILE  HB      3.80                
 30 GLY  HN     86 ILE  QG2     6.00                
 30 GLY  HA1    31 THR  HN      2.90                
 30 GLY  O      86 ILE  N       3.20                
 30 GLY  O      86 ILE  HN      2.40                
 31 THR  HA     32 MET  HN      2.90                
 31 THR  HA     85 ARG+ HA      3.30                
 31 THR  HA     86 ILE  HN      5.00                
 31 THR  HB     32 MET  HN      5.00                
 31 THR  QG2    32 MET  HN      3.90                
 31 THR  QG2    32 MET  HA      6.50                
 31 THR  QG2    83 SER  QB      6.80                
 31 THR  QG2    85 ARG+ HA      6.00                
 31 THR  OG1    86 ILE  N       3.20                
 31 THR  OG1    86 ILE  HN      2.40                
 32 MET  N      84 ILE  O       3.20                
 32 MET  HN     84 ILE  HN      3.50                
 32 MET  HN     84 ILE  QG2     6.50                
 32 MET  HN     84 ILE  O       2.40                
 32 MET  HN     85 ARG+ HA      5.00                
 32 MET  HA     33 PRO  HD2     3.30                
 32 MET  HA     33 PRO  HD3     3.30                
 32 MET  QB     33 PRO  HD2     5.80                
 32 MET  QB     33 PRO  HD3     5.80                
 32 MET  QG     34 VAL  QG1     5.10                
 32 MET  QE     34 VAL  HA      6.00                
 32 MET  QE     34 VAL  QG1     4.70                
 32 MET  QE     84 ILE  QD1     7.00                
 32 MET  O      84 ILE  N       3.20                
 32 MET  O      84 ILE  HN      2.40                
 33 PRO  HA     34 VAL  HN      2.90                
 33 PRO  HA     83 SER  HA      3.30                
 33 PRO  HA     83 SER  QB      4.10                
 33 PRO  HA     84 ILE  HN      5.00                
 34 VAL  N      82 LEU  O       3.20                
 34 VAL  HN     34 VAL  QG2     3.70                
 34 VAL  HN     82 LEU  HA      5.00                
 34 VAL  HN     82 LEU  O       2.40                
 34 VAL  HN     83 SER  HA      3.30                
 34 VAL  HA     35 ALA  HN      2.90                
 34 VAL  HA     36 ILE  QG1     6.38                
 34 VAL  HB     35 ALA  HN      2.90                
 34 VAL  HB     36 ILE  HN      5.50                
 34 VAL  HB     36 ILE  HG12    6.00                
 34 VAL  HB     36 ILE  HG13    6.00                
 34 VAL  HB     36 ILE  QG1     5.69                
 34 VAL  HB     36 ILE  QD1     4.30                
 34 VAL  QG1    35 ALA  HN      6.00                
 34 VAL  QG1    36 ILE  QG1     7.38                
 34 VAL  QG1    36 ILE  QD1     5.30                
 34 VAL  QG1    81 ILE  QG2     7.50                
 34 VAL  QG1    83 SER  HA      6.50                
 34 VAL  QG1    84 ILE  QD1     4.70                
 34 VAL  QG2    35 ALA  HN      4.30                
 34 VAL  QG2    36 ILE  HN      4.80                
 34 VAL  QG2    36 ILE  HB      6.50                
 34 VAL  QG2    36 ILE  HG12    6.00                
 34 VAL  QG2    36 ILE  HG13    6.00                
 34 VAL  QG2    36 ILE  QD1     4.70                
 34 VAL  QG2    81 ILE  QG2     4.70                
 34 VAL  QG2    82 LEU  HA      6.50                
 34 VAL  QG2    83 SER  HN      6.00                
 34 VAL  QG2    83 SER  HA      4.30                
 34 VAL  QG2    83 SER  QB      6.80                
 34 VAL  QG2    84 ILE  HG12    6.50                
 34 VAL  QG2    84 ILE  HG13    6.50                
 34 VAL  QG2    84 ILE  QG1     6.19                
 34 VAL  QG2    84 ILE  QD1     5.30                
 35 ALA  HN     36 ILE  HN      5.50                
 35 ALA  HA     36 ILE  HN      2.90                
 35 ALA  HA     37 TYR  QD      7.20                
 35 ALA  HA     37 TYR  QE      7.20                
 35 ALA  HA     82 LEU  HA      5.00                
 35 ALA  HA     82 LEU  QD2     6.50                
 35 ALA  QB     37 TYR  QD      8.20                
 35 ALA  QB     37 TYR  QE      5.90                
 35 ALA  QB     82 LEU  HA      6.50                
 35 ALA  QB     82 LEU  QD2     7.50                
 36 ILE  HN     37 TYR  HN      5.50                
 36 ILE  HN     81 ILE  HN      3.30                
 36 ILE  HA     37 TYR  HN      2.90                
 36 ILE  HB     39 VAL  QG2     6.00                
 36 ILE  HB     81 ILE  HB      2.70                
 36 ILE  QG2    37 TYR  HN      4.30                
 36 ILE  QG2    39 VAL  QG2     4.70                
 36 ILE  QG2    81 ILE  HA      6.50                
 36 ILE  QG2    81 ILE  HB      4.30                
 36 ILE  QG2    81 ILE  QD1     7.00                
 36 ILE  QD1    81 ILE  HB      6.50                
 36 ILE  QD1    81 ILE  QG2     5.30                
 36 ILE  QD1    84 ILE  QD1     5.30                
 36 ILE  O      81 ILE  N       3.20                
 36 ILE  O      81 ILE  HN      2.40                
 37 TYR  HA     38 GLY  HN      2.90                
 37 TYR  HA     80 GLU- HA      3.30                
 37 TYR  HA     81 ILE  HN      5.00                
 37 TYR  HB2    38 GLY  HN      5.50                
 37 TYR  HB3    38 GLY  HN      3.30                
 37 TYR  QD     38 GLY  HN      5.50                
 37 TYR  QD     57 LEU  QQD     9.40                
 37 TYR  QD     79 HIS+ HA      7.70                
 37 TYR  QD     79 HIS+ HE1     7.20                
 37 TYR  QD     80 GLU- HA      5.50                
 37 TYR  QD     80 GLU- HB2     7.20                
 37 TYR  QD     80 GLU- HB3     7.20                
 37 TYR  QD     80 GLU- QB      6.35                
 37 TYR  QE     57 LEU  QQD     9.90                
 37 TYR  QE     79 HIS+ HE1     7.20                
 37 TYR  QE     80 GLU- HA      7.20                
 37 TYR  QE     80 GLU- HB2     7.20                
 37 TYR  QE     80 GLU- HB3     7.20                
 37 TYR  QE     80 GLU- QB      6.35                
 38 GLY  N      78 ILE  O       3.20                
 38 GLY  HN     39 VAL  HN      3.30                
 38 GLY  HN     78 ILE  O       2.40                
 38 GLY  HN     79 HIS+ HA      5.00                
 38 GLY  HN     80 GLU- HA      5.50                
 38 GLY  HA1    39 VAL  HN      3.30                
 38 GLY  HA1    77 HIS+ HE1     3.30                
 38 GLY  HA2    77 HIS+ HE1     5.00                
 39 VAL  HN     39 VAL  HB      3.30                
 39 VAL  HN     78 ILE  HN      5.00                
 39 VAL  HN     78 ILE  HB      3.30                
 39 VAL  HN     78 ILE  QG2     6.00                
 39 VAL  HA     40 ASN  HN      2.90                
 39 VAL  HA     41 TRP  HN      5.00                
 39 VAL  HB     40 ASN  HN      6.00                
 39 VAL  HB     78 ILE  HB      3.30                
 39 VAL  HB     78 ILE  QG2     6.00                
 39 VAL  QG1    42 VAL  QG2     5.30                
 39 VAL  QG1    78 ILE  HB      6.50                
 39 VAL  QG1    78 ILE  QG2     7.50                
 39 VAL  QG1    78 ILE  QG1     6.50                
 39 VAL  QG1    78 ILE  QD1     7.50                
 39 VAL  QG1    81 ILE  QD1     5.30                
 39 VAL  QG2    42 VAL  QG2     7.50                
 39 VAL  QG2    78 ILE  HB      6.50                
 39 VAL  QG2    78 ILE  QG2     7.50                
 39 VAL  QG2    78 ILE  HG12    6.50                
 39 VAL  QG2    78 ILE  HG13    6.50                
 39 VAL  QG2    78 ILE  QD1     7.50                
 39 VAL  QG2    81 ILE  HB      6.50                
 39 VAL  QG2    81 ILE  QG1     5.18                
 39 VAL  QG2    81 ILE  QD1     4.70                
 39 VAL  QQG    40 ASN  HN      5.10                
 39 VAL  O      78 ILE  N       3.20                
 39 VAL  O      78 ILE  HN      2.40                
 40 ASN  HN     41 TRP  HN      2.90                
 40 ASN  HA     40 ASN  HD21    3.30                
 40 ASN  HA     40 ASN  HD22    5.00                
 40 ASN  HD21   77 HIS+ HA      5.00                
 40 ASN  HD21   77 HIS+ HB2     5.50                
 40 ASN  HD21   77 HIS+ HB3     5.50                
 40 ASN  HD21   77 HIS+ QB      5.18                
 40 ASN  HD22   77 HIS+ HA      5.50                
 41 TRP  HA     42 VAL  HN      2.90                
 41 TRP  HA     42 VAL  QG2     6.00                
 41 TRP  HA     74 ASN  HA      3.30                
 41 TRP  QB     42 VAL  HN      5.80                
 41 TRP  QB     74 ASN  HA      5.80                
 41 TRP  HD1    42 VAL  HN      5.00                
 41 TRP  HD1    43 GLU- HN      5.50                
 41 TRP  HD1    43 GLU- QB      5.80                
 41 TRP  HD1    43 GLU- HG2     5.00                
 41 TRP  HD1    43 GLU- HG3     5.00                
 41 TRP  HD1    43 GLU- QG      4.14                
 41 TRP  HE1    43 GLU- HG2     5.00                
 41 TRP  HE1    43 GLU- HG3     5.00                
 42 VAL  N      73 TRP  O       3.20                
 42 VAL  HN     73 TRP  HN      3.30                
 42 VAL  HN     73 TRP  QB      6.38                
 42 VAL  HN     73 TRP  O       2.40                
 42 VAL  HA     43 GLU- HN      2.90                
 42 VAL  HB     67 LEU  QD1     6.00                
 42 VAL  HB     73 TRP  QB      4.10                
 42 VAL  HB     73 TRP  HE3     2.70                
 42 VAL  QG1    51 LEU  QD1     5.30                
 42 VAL  QG1    51 LEU  QD2     7.00                
 42 VAL  QG1    67 LEU  QD1     5.30                
 42 VAL  QG1    67 LEU  QD2     5.30                
 42 VAL  QG1    73 TRP  QB      7.30                
 42 VAL  QG1    73 TRP  HE3     4.30                
 42 VAL  QG1    73 TRP  HZ3     6.50                
 42 VAL  QG1    81 ILE  QD1     7.50                
 42 VAL  QG2    51 LEU  QD1     5.30                
 42 VAL  QG2    51 LEU  QD2     7.00                
 42 VAL  QG2    67 LEU  QD1     7.50                
 42 VAL  QG2    73 TRP  QB      5.30                
 42 VAL  QG2    73 TRP  HE3     3.70                
 42 VAL  QG2    73 TRP  HZ3     6.00                
 42 VAL  QG2    81 ILE  QD1     7.00                
 42 VAL  O      73 TRP  N       3.20                
 42 VAL  O      73 TRP  HN      2.40                
 43 GLU- HN     44 SER  HN      5.50                
 43 GLU- HA     44 SER  HN      2.90                
 43 GLU- HA     72 SER  HA      3.30                
 43 GLU- HA     72 SER  QB      5.88                
 43 GLU- HA     73 TRP  HN      5.00                
 43 GLU- HB2    44 SER  HN      5.00                
 43 GLU- HB3    44 SER  HN      3.30                
 43 GLU- QG     72 SER  QB      6.60                
 44 SER  N      71 GLY  O       3.20                
 44 SER  HN     44 SER  HB2     3.30                
 44 SER  HN     45 GLY  HN      3.30  1.00E+01                 
 44 SER  HN     71 GLY  HN      5.00                
 44 SER  HN     71 GLY  O       2.40                
 44 SER  HN     72 SER  HA      5.00                
 44 SER  HB2    67 LEU  HB2     3.30                
 44 SER  HB2    67 LEU  HB3     3.30                
 44 SER  HB2    67 LEU  QD1     4.50                
 44 SER  HB2    70 TRP  HN      5.50                
 44 SER  HB2    71 GLY  HN      5.00                
 44 SER  HB3    67 LEU  HA      5.50                
 44 SER  HB3    67 LEU  HB2     3.30                
 44 SER  HB3    67 LEU  HB3     3.30                
 44 SER  HB3    67 LEU  QD1     4.30                
 44 SER  HB3    70 TRP  HN      5.50                
 44 SER  HB3    71 GLY  HN      5.00                
 45 GLY  HN     46 ASN  HN      5.50                
 45 GLY  HN     70 TRP  HN      5.50                
 45 GLY  HN     70 TRP  HE3     5.50                
 45 GLY  HN     71 GLY  HN      5.50                
 45 GLY  QA     47 ASN  HD21    6.30                
 45 GLY  QA     47 ASN  HD22    6.30                
 45 GLY  QA     70 TRP  HE3     4.10                
 45 GLY  QA     70 TRP  HZ3     4.10                
 45 GLY  O      70 TRP  N       3.20                
 45 GLY  O      70 TRP  HN      2.40                
 46 ASN  HN     46 ASN  QB      3.68                
 46 ASN  HN     47 ASN  HN      5.50                
 46 ASN  HA     47 ASN  HN      2.90                
 46 ASN  HA     70 TRP  HN      5.00                
 46 ASN  HA     70 TRP  HD1     5.50                
 46 ASN  HA     70 TRP  HE1     5.50                
 46 ASN  HA     70 TRP  HZ2     5.00                
 46 ASN  HB2    46 ASN  HD21    3.30                
 46 ASN  HB2    70 TRP  HZ2     3.80                
 46 ASN  HB2    70 TRP  HH2     5.50                
 46 ASN  HB3    46 ASN  HD21    3.30                
 46 ASN  HB3    70 TRP  HZ2     3.80                
 46 ASN  HB3    70 TRP  HH2     5.50                
 46 ASN  QB     70 TRP  HZ2     3.18                
 46 ASN  QB     70 TRP  HH2     5.18                
 47 ASN  HN     47 ASN  HB3     3.50                
 47 ASN  HN     47 ASN  HD21    3.30                
 47 ASN  HN     47 ASN  HD22    5.50                
 47 ASN  HN     69 LYS+ HA      3.30                
 47 ASN  HN     70 TRP  HN      3.30                
 47 ASN  HA     47 ASN  HD21    5.50                
 47 ASN  HA     48 VAL  HN      2.90                
 47 ASN  HB2    48 VAL  HN      3.30                
 47 ASN  HB2    49 VAL  QG2     4.30                
 47 ASN  HB2    86 ILE  QG2     4.30                
 47 ASN  HB3    47 ASN  HD21    3.30                
 47 ASN  HB3    48 VAL  HN      5.00                
 47 ASN  HB3    49 VAL  QG2     6.00                
 47 ASN  HB3    86 ILE  QG2     6.50                
 47 ASN  HD21   49 VAL  QG2     4.30                
 47 ASN  HD22   49 VAL  QG2     6.00                
 48 VAL  HN     48 VAL  HB      3.50                
 48 VAL  HN     48 VAL  QG1     4.50                
 48 VAL  HA     49 VAL  HN      2.90                
 48 VAL  HA     67 LEU  HN      5.50                
 48 VAL  HA     68 GLN  HA      3.30                
 48 VAL  HA     87 TYR  QD      7.70                
 48 VAL  HA     87 TYR  QE      7.70                
 48 VAL  HB     87 TYR  HN      5.50                
 48 VAL  HB     87 TYR  HB2     5.00                
 48 VAL  HB     87 TYR  HB3     5.00                
 48 VAL  HB     87 TYR  QD      5.50                
 48 VAL  HB     87 TYR  QE      7.70                
 48 VAL  QG1    66 THR  QG2     4.70                
 48 VAL  QG1    68 GLN  HA      6.00                
 48 VAL  QG1    68 GLN  HE21    6.50                
 48 VAL  QG1    68 GLN  HE22    4.30                
 48 VAL  QG1    69 LYS+ HN      6.00                
 48 VAL  QG1    87 TYR  HN      6.50                
 48 VAL  QG1    87 TYR  HB2     6.00                
 48 VAL  QG1    87 TYR  HB3     6.00                
 48 VAL  QG1    87 TYR  QD      5.90                
 48 VAL  QG1    87 TYR  QE      6.50                
 48 VAL  QG2    66 THR  QG2     7.00                
 48 VAL  QG2    68 GLN  HN      6.50                
 48 VAL  QG2    68 GLN  HA      4.30                
 48 VAL  QG2    68 GLN  HE21    4.30                
 48 VAL  QG2    68 GLN  HE22    3.70                
 48 VAL  QG2    69 LYS+ HN      4.30                
 48 VAL  QG2    69 LYS+ HA      6.50                
 48 VAL  QG2    69 LYS+ HG2     6.00                
 48 VAL  QG2    69 LYS+ HG3     6.00                
 48 VAL  QG2    69 LYS+ QG      5.15                
 48 VAL  QG2    69 LYS+ QD      5.10                
 48 VAL  QG2    69 LYS+ QE      4.58                
 48 VAL  QG2    87 TYR  HN      6.50                
 48 VAL  QG2    87 TYR  HB2     6.00                
 48 VAL  QG2    87 TYR  QD      6.50                
 48 VAL  QG2    87 TYR  QE      6.50                
 48 VAL  O      87 TYR  N       3.20                
 48 VAL  O      87 TYR  HN      2.40                
 49 VAL  N      67 LEU  O       3.20                
 49 VAL  HN     49 VAL  HB      3.80                
 49 VAL  HN     67 LEU  HN      3.30                
 49 VAL  HN     67 LEU  O       2.40                
 49 VAL  HN     68 GLN  HA      5.50                
 49 VAL  HA     50 THR  HN      2.90                
 49 VAL  HA     86 ILE  HA      3.30                
 49 VAL  HA     87 TYR  HN      5.00                
 49 VAL  HA     87 TYR  QD      5.50                
 49 VAL  HA     87 TYR  QE      7.20                
 49 VAL  HB     67 LEU  QB      5.88                
 49 VAL  HB     67 LEU  QD1     6.00                
 49 VAL  QG1    51 LEU  HG      6.00                
 49 VAL  QG1    51 LEU  QD1     7.00                
 49 VAL  QG1    51 LEU  QD2     5.30                
 49 VAL  QQG    67 LEU  QB      8.08                
 49 VAL  QQG    67 LEU  QD1     6.50                
 49 VAL  QQG    84 ILE  QG2     6.50                
 49 VAL  QQG    86 ILE  HA      5.50                
 49 VAL  QQG    86 ILE  QG2     6.50                
 49 VAL  QQG    86 ILE  HG12    7.20                
 49 VAL  QQG    86 ILE  HG13    7.20                
 49 VAL  QQG    86 ILE  QD1     6.50                
 49 VAL  O      67 LEU  N       3.20                
 49 VAL  O      67 LEU  HN      2.40                
 50 THR  N      85 ARG+ O       3.20                
 50 THR  HN     50 THR  HB      3.30                
 50 THR  HN     85 ARG+ HN      3.30                
 50 THR  HN     85 ARG+ O       2.40                
 50 THR  HN     86 ILE  HA      5.00                
 50 THR  HN     87 TYR  QD      7.70                
 50 THR  HN     87 TYR  QE      5.50                
 50 THR  HA     51 LEU  HN      2.90                
 50 THR  HA     66 THR  HA      3.30                
 50 THR  HA     67 LEU  HN      5.50                
 50 THR  HA     87 TYR  QE      7.70                
 50 THR  HB     85 ARG+ QB      4.10                
 50 THR  HB     85 ARG+ QD      5.80                
 50 THR  HB     87 TYR  QE      4.90                
 50 THR  QG2    64 THR  HA      6.00                
 50 THR  QG2    64 THR  HB      4.30                
 50 THR  QG2    64 THR  QG2     4.70                
 50 THR  QG2    85 ARG+ QB      6.80                
 50 THR  QG2    85 ARG+ QG      7.38                
 50 THR  QG2    85 ARG+ QD      6.88                
 50 THR  QG2    87 TYR  QD      8.70                
 50 THR  QG2    87 TYR  QE      6.50                
 50 THR  O      85 ARG+ N       3.20                
 50 THR  O      85 ARG+ HN      2.40                
 51 LEU  N      65 ILE  O       3.20                
 51 LEU  HN     51 LEU  HB2     3.30                
 51 LEU  HN     51 LEU  HG      3.50                
 51 LEU  HN     51 LEU  QQD     5.50                
 51 LEU  HN     65 ILE  HN      3.30                
 51 LEU  HN     65 ILE  QG2     4.30                
 51 LEU  HN     65 ILE  O       2.40                
 51 LEU  HN     66 THR  HA      3.50                
 51 LEU  HN     67 LEU  HN      5.50                
 51 LEU  HA     52 GLN  HN      2.90                
 51 LEU  HA     65 ILE  QG2     6.50                
 51 LEU  HA     84 ILE  HA      3.30                
 51 LEU  HA     85 ARG+ HN      5.00                
 51 LEU  HB2    65 ILE  QG2     4.30                
 51 LEU  HB3    65 ILE  QG2     6.00                
 51 LEU  QD1    65 ILE  QG2     4.70                
 51 LEU  QD1    65 ILE  QD1     7.50                
 51 LEU  QD1    67 LEU  QD1     5.30                
 51 LEU  QD1    73 TRP  HE3     4.30                
 51 LEU  QD1    73 TRP  HZ3     3.90                
 51 LEU  QD1    81 ILE  QD1     5.30                
 51 LEU  QD2    65 ILE  QG2     7.50                
 51 LEU  QD2    81 ILE  QG2     4.90                
 51 LEU  QD2    81 ILE  QD1     5.30                
 51 LEU  QD2    84 ILE  HA      4.50                
 51 LEU  QD2    84 ILE  QG2     5.30                
 51 LEU  QD2    84 ILE  HG12    6.00                
 51 LEU  QD2    84 ILE  HG13    6.00                
 51 LEU  QD2    84 ILE  QD1     7.00                
 51 LEU  QD2    85 ARG+ HN      4.30                
 51 LEU  QD2    85 ARG+ QB      7.30                
 51 LEU  QQD    53 PHE  QD      7.30                
 51 LEU  QQD    53 PHE  QE      9.40                
 51 LEU  O      65 ILE  N       3.20                
 51 LEU  O      65 ILE  HN      2.40                
 52 GLN  N      83 SER  O       3.20                
 52 GLN  HN     53 PHE  HN      5.50                
 52 GLN  HN     53 PHE  QD      7.20                
 52 GLN  HN     83 SER  HN      3.30                
 52 GLN  HN     83 SER  O       2.40                
 52 GLN  HN     84 ILE  HA      3.30                
 52 GLN  HA     53 PHE  HN      2.90                
 52 GLN  HA     63 GLU- HN      5.50                
 52 GLN  HA     64 THR  HA      3.30                
 52 GLN  HA     64 THR  HB      5.00                
 52 GLN  HA     64 THR  QG2     4.30                
 52 GLN  HA     65 ILE  HN      5.50                
 52 GLN  HA     83 SER  QB      6.30                
 52 GLN  HB2    64 THR  QG2     6.00                
 52 GLN  HB2    83 SER  QB      4.30                
 52 GLN  HB3    62 LEU  QD1     6.00                
 52 GLN  HB3    64 THR  QG2     6.50                
 52 GLN  HB3    83 SER  QB      4.10                
 52 GLN  HG2    64 THR  QG2     6.00                
 52 GLN  HG2    83 SER  QB      6.30                
 52 GLN  HG3    64 THR  QG2     6.00                
 52 GLN  HG3    83 SER  QB      6.30                
 52 GLN  QG     62 LEU  QD1     5.18                
 52 GLN  QG     64 THR  QG2     5.15                
 52 GLN  HE21   62 LEU  HB2     5.50                
 52 GLN  HE21   62 LEU  HB3     5.50                
 52 GLN  HE21   62 LEU  QD1     4.30                
 52 GLN  HE21   62 LEU  QD2     6.00                
 52 GLN  HE21   64 THR  QG2     4.30                
 52 GLN  HE22   62 LEU  QB      6.30                
 52 GLN  HE22   62 LEU  QD1     4.30                
 52 GLN  HE22   62 LEU  QD2     6.50                
 52 GLN  HE22   64 THR  QG2     6.00                
 52 GLN  O      82 LEU  N       3.20                
 52 GLN  O      82 LEU  HN      2.40                
 53 PHE  N      63 GLU- O       3.20                
 53 PHE  HN     63 GLU- HN      3.50                
 53 PHE  HN     63 GLU- O       2.40                
 53 PHE  HN     64 THR  HA      5.00                
 53 PHE  HN     64 THR  QG2     6.00                
 53 PHE  HA     54 GLN  HN      2.90                
 53 PHE  HA     78 ILE  QG2     6.50                
 53 PHE  HA     81 ILE  HA      3.30                
 53 PHE  HA     81 ILE  QG2     6.00                
 53 PHE  HA     81 ILE  QG1     6.38                
 53 PHE  HA     82 LEU  HN      3.30                
 53 PHE  HA     82 LEU  QD1     4.50                
 53 PHE  HA     83 SER  HN      5.50                
 53 PHE  HB2    54 GLN  HN      2.70                
 53 PHE  HB2    78 ILE  QG2     4.30                
 53 PHE  HB2    81 ILE  HA      5.00                
 53 PHE  HB2    81 ILE  QG1     6.38                
 53 PHE  HB2    82 LEU  HN      5.50                
 53 PHE  HB3    54 GLN  HN      5.00                
 53 PHE  HB3    78 ILE  QG2     6.00                
 53 PHE  HB3    81 ILE  HA      5.00                
 53 PHE  HB3    81 ILE  QG1     6.38                
 53 PHE  HB3    82 LEU  HN      5.50                
 53 PHE  QD     54 GLN  HN      5.50                
 53 PHE  QD     55 ARG+ HN      7.20                
 53 PHE  QD     55 ARG+ HA      5.50                
 53 PHE  QD     55 ARG+ QB      8.08                
 53 PHE  QD     63 GLU- HN      7.20                
 53 PHE  QD     64 THR  HA      5.50                
 53 PHE  QD     65 ILE  HN      7.20                
 53 PHE  QD     65 ILE  HA      7.70                
 53 PHE  QD     65 ILE  HB      5.50                
 53 PHE  QD     65 ILE  QG2     5.90                
 53 PHE  QD     65 ILE  QG1     8.08                
 53 PHE  QD     78 ILE  QG2     5.90                
 53 PHE  QD     78 ILE  QD1     6.50                
 53 PHE  QD     81 ILE  HA      5.50                
 53 PHE  QD     82 LEU  QD1     8.70                
 53 PHE  QE     55 ARG+ QB      8.08                
 53 PHE  QE     63 GLU- HN      7.70                
 53 PHE  QE     64 THR  HA      7.70                
 53 PHE  QE     65 ILE  HN      5.50                
 53 PHE  QE     65 ILE  HA      7.70                
 53 PHE  QE     65 ILE  HB      5.50                
 53 PHE  QE     65 ILE  QG2     5.90                
 53 PHE  QE     78 ILE  QG2     8.70                
 53 PHE  QE     78 ILE  QD1     8.20                
 53 PHE  HZ     55 ARG+ HE      5.00                
 53 PHE  HZ     63 GLU- HB2     3.30                
 53 PHE  HZ     63 GLU- HB3     3.30                
 53 PHE  HZ     63 GLU- HG2     5.50                
 53 PHE  HZ     63 GLU- HG3     5.50                
 53 PHE  HZ     65 ILE  HB      3.80                
 53 PHE  HZ     65 ILE  QG2     4.80                
 53 PHE  HZ     65 ILE  QD1     6.50                
 53 PHE  HZ     73 TRP  HZ2     3.30                
 53 PHE  HZ     73 TRP  HH2     5.50                
 53 PHE  O      63 GLU- N       3.20                
 53 PHE  O      63 GLU- HN      2.40                
 54 GLN  N      80 GLU- O       3.20                
 54 GLN  HN     54 GLN  HB2     3.30                
 54 GLN  HN     54 GLN  HB3     3.30                
 54 GLN  HN     54 GLN  QG      6.38                
 54 GLN  HN     55 ARG+ HN      5.50                
 54 GLN  HN     78 ILE  QG2     4.30                
 54 GLN  HN     80 GLU- HN      5.00                
 54 GLN  HN     80 GLU- O       2.40                
 54 GLN  HN     81 ILE  HA      4.00                
 54 GLN  HN     82 LEU  HN      5.50                
 54 GLN  HN     82 LEU  QD2     4.30                
 54 GLN  HA     55 ARG+ HN      2.90                
 54 GLN  HA     56 ASN  HN      5.50                
 54 GLN  HB2    55 ARG+ HN      5.50                
 54 GLN  HB2    62 LEU  QD2     4.30                
 54 GLN  HB2    79 HIS+ HD2     3.30                
 54 GLN  HB2    80 GLU- HN      5.50                
 54 GLN  HB3    55 ARG+ HN      5.50                
 54 GLN  HB3    62 LEU  QD2     4.30                
 54 GLN  HB3    79 HIS+ HD2     3.30                
 54 GLN  HB3    80 GLU- HN      5.50                
 54 GLN  QB     80 GLU- HN      5.18                
 54 GLN  QB     82 LEU  QD1     5.10                
 54 GLN  HG2    54 GLN  HE21    3.50                
 54 GLN  HG2    55 ARG+ HN      5.50                
 54 GLN  HG2    56 ASN  HN      5.50                
 54 GLN  HG2    62 LEU  QD2     6.00                
 54 GLN  HG2    79 HIS+ HD2     5.00                
 54 GLN  HG3    54 GLN  HE21    3.50                
 54 GLN  HG3    55 ARG+ HN      5.50                
 54 GLN  HG3    56 ASN  HN      5.50                
 54 GLN  HG3    62 LEU  QD2     6.00                
 54 GLN  HG3    79 HIS+ HD2     5.00                
 54 GLN  QG     56 ASN  HN      5.18                
 54 GLN  NE2    56 ASN  O       3.20                
 54 GLN  HE21   56 ASN  O       2.40                
 54 GLN  HE21   57 LEU  HA      3.30                
 54 GLN  HE21   57 LEU  QD1     4.30                
 54 GLN  HE21   60 PRO  HA      3.50                
 54 GLN  HE21   79 HIS+ HD2     5.50                
 54 GLN  HE22   57 LEU  HA      3.30                
 54 GLN  HE22   57 LEU  QD1     6.00                
 54 GLN  HE22   60 PRO  HA      3.30                
 54 GLN  HE22   79 HIS+ HD2     5.50                
 55 ARG+ N      61 ARG+ O       3.20                
 55 ARG+ HN     55 ARG+ HB2     3.30                
 55 ARG+ HN     55 ARG+ HB3     3.30                
 55 ARG+ HN     56 ASN  HN      3.30                
 55 ARG+ HN     61 ARG+ O       2.40                
 55 ARG+ HA     78 ILE  HA      5.00                
 55 ARG+ HA     78 ILE  QG2     3.90                
 55 ARG+ HA     78 ILE  QD1     4.30                
 55 ARG+ HA     79 HIS+ HN      3.80                
 55 ARG+ QB     56 ASN  HN      4.18                
 55 ARG+ QG     78 ILE  QG2     6.50                
 55 ARG+ QG     78 ILE  QD1     6.00                
 56 ASN  HN     56 ASN  HB2     3.30                
 56 ASN  HA     57 LEU  HN      2.90                
 56 ASN  HA     79 HIS+ HN      5.50                
 56 ASN  HB2    59 ASP- HN      5.00                
 56 ASN  HB3    59 ASP- HN      5.00                
 57 LEU  HN     57 LEU  HB2     3.30                
 57 LEU  HN     57 LEU  HB3     3.30                
 57 LEU  HN     57 LEU  HG      5.00                
 57 LEU  HN     58 SER  HN      2.90                
 57 LEU  HA     59 ASP- HN      5.00                
 57 LEU  HA     79 HIS+ HD2     3.30                
 57 LEU  HA     79 HIS+ HE1     5.00                
 57 LEU  HB2    58 SER  HN      5.00                
 57 LEU  HB2    79 HIS+ HE1     5.00                
 57 LEU  HB3    58 SER  HN      5.00                
 57 LEU  HB3    79 HIS+ HE1     5.00                
 57 LEU  QB     58 SER  HN      4.14                
 57 LEU  HG     79 HIS+ HE1     5.00                
 57 LEU  QD1    79 HIS+ HD2     4.30                
 57 LEU  QD1    79 HIS+ HE1     6.00                
 57 LEU  QD2    79 HIS+ HE1     3.70                
 58 SER  HN     58 SER  HB2     3.30                
 58 SER  HN     58 SER  HB3     3.30                
 58 SER  HN     59 ASP- HN      2.90                
 58 SER  QB     59 ASP- HN      4.18                
 59 ASP- HN     59 ASP- HB2     3.30                
 59 ASP- HN     59 ASP- HB3     3.30                
 59 ASP- HA     60 PRO  HD2     3.30                
 59 ASP- HA     60 PRO  HD3     3.30                
 59 ASP- HA     61 ARG+ HN      5.00                
 59 ASP- O      61 ARG+ N       3.20                
 59 ASP- O      61 ARG+ HN      2.40                
 60 PRO  HD2    61 ARG+ HN      5.50                
 60 PRO  HD3    61 ARG+ HN      5.50                
 60 PRO  QD     61 ARG+ HN      5.18                
 61 ARG+ HN     61 ARG+ QB      3.42                
 61 ARG+ HN     61 ARG+ QG      4.18                
 61 ARG+ HN     62 LEU  HN      5.50                
 61 ARG+ HA     62 LEU  HN      2.90                
 61 ARG+ HB2    62 LEU  HN      5.00                
 61 ARG+ HB3    62 LEU  HN      5.00                
 62 LEU  HN     62 LEU  QB      3.49                
 62 LEU  HA     63 GLU- HN      2.90                
 62 LEU  HB2    63 GLU- HN      5.00                
 62 LEU  HB3    63 GLU- HN      5.00                
 62 LEU  QB     63 GLU- HN      4.14                
 62 LEU  QD1    64 THR  QG2     7.00                
 62 LEU  QD1    82 LEU  QD1     5.30                
 62 LEU  QD2    82 LEU  QD1     4.70                
 63 GLU- HN     64 THR  HN      5.50                
 63 GLU- HA     64 THR  HN      2.90                
 64 THR  HA     65 ILE  HN      2.90                
 64 THR  HA     65 ILE  QG2     4.80                
 64 THR  HB     65 ILE  HN      5.00                
 65 ILE  HN     66 THR  HN      5.50                
 65 ILE  HA     66 THR  HN      2.90                
 65 ILE  HB     66 THR  HN      5.00                
 65 ILE  QG2    66 THR  HN      6.00                
 65 ILE  QG2    67 LEU  QD1     5.30                
 65 ILE  QG2    67 LEU  QD2     7.00                
 65 ILE  QG2    73 TRP  HE3     4.30                
 65 ILE  QG2    73 TRP  HE1     6.50                
 65 ILE  QG2    73 TRP  HZ3     4.30                
 65 ILE  QG2    73 TRP  HZ2     6.00                
 65 ILE  HG12   66 THR  HN      3.30                
 65 ILE  HG13   66 THR  HN      3.30                
 65 ILE  QD1    66 THR  HN      6.00                
 65 ILE  QD1    67 LEU  HG      6.00                
 65 ILE  QD1    67 LEU  QD1     7.00                
 65 ILE  QD1    67 LEU  QD2     4.70                
 65 ILE  QD1    73 TRP  HD1     3.70                
 65 ILE  QD1    73 TRP  HE3     6.00                
 65 ILE  QD1    73 TRP  HE1     4.30                
 65 ILE  QD1    73 TRP  HZ2     4.50                
 66 THR  HN     66 THR  HB      2.70                
 66 THR  HN     67 LEU  HN      5.50                
 66 THR  HA     67 LEU  HN      2.90                
 66 THR  HB     67 LEU  HN      5.50                
 66 THR  QG2    68 GLN  HE21    6.00                
 66 THR  QG2    68 GLN  HE22    6.00                
 66 THR  QG2    87 TYR  QE      8.20                
 67 LEU  HN     68 GLN  HN      5.50                
 67 LEU  HA     68 GLN  HN      2.90                
 67 LEU  QD1    73 TRP  HA      6.50                
 67 LEU  QD2    72 SER  HA      6.00                
 68 GLN  HN     68 GLN  QG      4.10                
 68 GLN  HN     69 LYS+ HN      5.50                
 68 GLN  HA     69 LYS+ HN      2.90                
 68 GLN  HB2    69 LYS+ HN      3.30                
 68 GLN  HB3    69 LYS+ HN      2.90                
 68 GLN  O      71 GLY  N       3.20                
 68 GLN  O      71 GLY  HN      2.40                
 69 LYS+ HN     69 LYS+ HB2     3.30                
 69 LYS+ HN     69 LYS+ HG2     3.80                
 69 LYS+ HN     69 LYS+ HG3     3.80                
 69 LYS+ HA     70 TRP  HN      2.90                
 69 LYS+ HA     71 GLY  HN      3.30                
 69 LYS+ HB2    70 TRP  HN      5.00                
 69 LYS+ HB2    70 TRP  HD1     3.30                
 69 LYS+ HB2    70 TRP  HE1     5.00                
 69 LYS+ HB3    70 TRP  HN      5.00                
 69 LYS+ HB3    70 TRP  HD1     3.30                
 69 LYS+ HB3    70 TRP  HE1     5.50                
 70 TRP  HN     70 TRP  HA      2.70                
 70 TRP  HN     70 TRP  HD1     5.50                
 70 TRP  HN     70 TRP  HE3     5.00                
 70 TRP  HN     71 GLY  HN      3.30                
 70 TRP  HA     70 TRP  HD1     5.00                
 70 TRP  HA     70 TRP  HE3     2.70                
 70 TRP  QB     70 TRP  HD1     3.52                
 70 TRP  QB     70 TRP  HE3     3.66                
 71 GLY  HN     72 SER  HN      5.50                
 71 GLY  HA1    72 SER  HN      2.90                
 72 SER  HA     73 TRP  HN      2.90                
 72 SER  HB2    73 TRP  HN      3.30                
 72 SER  HB3    73 TRP  HN      3.30                
 72 SER  QB     73 TRP  HN      2.98                
 73 TRP  HA     73 TRP  HD1     2.70                
 73 TRP  HA     73 TRP  HE3     5.50                
 73 TRP  HD1    75 PRO  QG      5.88                
 73 TRP  HE3    75 PRO  QG      5.88                
 73 TRP  HE3    78 ILE  QD1     6.50                
 73 TRP  HE1    75 PRO  HA      5.00                
 73 TRP  HE1    75 PRO  QB      4.18                
 73 TRP  HZ3    78 ILE  QG2     6.00                
 73 TRP  HZ3    78 ILE  QD1     4.80                
 73 TRP  HZ3    81 ILE  QD1     3.70                
 73 TRP  HZ2    75 PRO  HB2     5.00                
 73 TRP  HZ2    75 PRO  HB3     5.00                
 73 TRP  HZ2    75 PRO  QG      5.88                
 73 TRP  HZ2    78 ILE  QD1     4.30                
 73 TRP  HH2    78 ILE  QG2     4.30                
 73 TRP  HH2    78 ILE  QD1     4.30                
 74 ASN  HA     75 PRO  HD2     3.30                
 74 ASN  HA     75 PRO  HD3     3.30                
 74 ASN  HA     76 GLY  HN      5.50                
 75 PRO  HG2    76 GLY  HN      5.00                
 75 PRO  HG3    76 GLY  HN      5.00                
 75 PRO  QG     76 GLY  HN      4.14                
 75 PRO  HD2    76 GLY  HN      5.50                
 75 PRO  HD3    76 GLY  HN      5.50                
 75 PRO  QD     76 GLY  HN      5.18                
 76 GLY  HN     76 GLY  HA2     2.90                
 76 GLY  HN     77 HIS+ HN      5.50                
 76 GLY  HA1    77 HIS+ HN      2.90                
 77 HIS+ HN     77 HIS+ QB      3.67                
 77 HIS+ HA     78 ILE  HN      2.90                
 77 HIS+ HB2    78 ILE  HN      5.50                
 77 HIS+ HB3    78 ILE  HN      5.50                
 77 HIS+ QB     77 HIS+ HD2     3.56                
 77 HIS+ HE1    79 HIS+ HA      3.30                
 78 ILE  HN     78 ILE  HB      3.30                
 78 ILE  HA     79 HIS+ HN      2.90                
 78 ILE  HB     79 HIS+ HN      5.50                
 78 ILE  QG2    79 HIS+ HN      3.70                
 78 ILE  QG2    80 GLU- HN      4.30                
 78 ILE  QG2    81 ILE  QD1     5.30                
 78 ILE  QD1    79 HIS+ HN      6.00                
 79 HIS+ HN     79 HIS+ HB2     3.30                
 79 HIS+ HN     79 HIS+ HB3     3.30                
 79 HIS+ HN     80 GLU- HN      3.30                
 79 HIS+ HB2    80 GLU- HN      5.00                
 79 HIS+ HB3    80 GLU- HN      5.00                
 79 HIS+ QB     79 HIS+ HD2     3.56                
 79 HIS+ QB     80 GLU- HN      4.14                
 79 HIS+ HD2    80 GLU- HN      5.00                
 79 HIS+ HD2    80 GLU- HB2     5.00                
 79 HIS+ HD2    80 GLU- HB3     5.00                
 79 HIS+ HD2    80 GLU- QB      4.14                
 80 GLU- HA     81 ILE  HN      2.90                
 81 ILE  HA     82 LEU  HN      2.90                
 82 LEU  HN     82 LEU  HB2     3.30                
 82 LEU  HN     82 LEU  HG      5.00                
 82 LEU  HN     82 LEU  QD2     3.70                
 82 LEU  HN     83 SER  HN      2.90                
 82 LEU  HB2    83 SER  HN      5.50                
 82 LEU  HB3    83 SER  HN      5.00                
 83 SER  HA     84 ILE  HN      2.90                
 84 ILE  HN     84 ILE  HB      2.70                
 84 ILE  HN     84 ILE  QD1     6.50                
 84 ILE  HA     85 ARG+ HN      2.90                
 84 ILE  QG2    86 ILE  HN      6.50                
 84 ILE  QG2    86 ILE  QG1     6.88                
 84 ILE  QG2    86 ILE  QD1     5.30                
 85 ARG+ HN     85 ARG+ HB2     3.30                
 85 ARG+ HN     85 ARG+ HB3     3.30                
 85 ARG+ HA     86 ILE  HN      2.90                
 85 ARG+ HB2    86 ILE  HN      5.00                
 85 ARG+ HB3    86 ILE  HN      5.00                
 85 ARG+ HG2    87 TYR  QD      7.20                
 85 ARG+ HG2    87 TYR  QE      7.20                
 85 ARG+ HG3    87 TYR  QD      7.20                
 85 ARG+ HG3    87 TYR  QE      7.20                
 85 ARG+ QG     87 TYR  QE      6.35                
 85 ARG+ HD2    87 TYR  QE      7.20                
 85 ARG+ HD3    87 TYR  QE      7.20                
 85 ARG+ QD     87 TYR  QE      6.35                
 86 ILE  HN     86 ILE  HB      3.30                
 86 ILE  HN     86 ILE  QG2     4.50                
 86 ILE  HA     87 TYR  HN      2.90                
 86 ILE  HA     87 TYR  QD      7.20                
 86 ILE  HB     87 TYR  HN      5.50                
 87 TYR  HN     87 TYR  HB2     3.30                
 87 TYR  HN     87 TYR  QE      7.70                
#Lower limit restrictions in DYANA format for AFP1
  5 THR  OG1     8 ASN  ND2     2.70                
  5 THR  OG1     8 ASN  HD21    1.70                
  5 THR  O       7 CYSS N       2.70                
  5 THR  O       7 CYSS HN      1.70                
  5 THR  O      25 CYSS N       2.70                
  5 THR  O      25 CYSS HN      1.70                
  7 CYSS CB     25 CYSS SG      3.00                
  7 CYSS SG     25 CYSS CB      3.00                
  7 CYSS SG     25 CYSS SG      2.00                
 12 TYR  O      45 GLY  N       2.70                
 12 TYR  O      45 GLY  HN      1.70                
 13 LEU  N      26 PHE  O       2.70                
 13 LEU  HN     26 PHE  O       1.70                
 13 LEU  O      26 PHE  N       2.70                
 13 LEU  O      26 PHE  HN      1.70                
 14 GLU- N      43 GLU- O       2.70                
 14 GLU- HN     43 GLU- O       1.70                
 14 GLU- O      43 GLU- N       2.70                
 14 GLU- O      43 GLU- HN      1.70                
 15 ILE  N      24 LEU  O       2.70                
 15 ILE  HN     24 LEU  O       1.70                
 15 ILE  O      24 LEU  N       2.70                
 15 ILE  O      24 LEU  HN      1.70                
 16 HIS+ N      41 TRP  O       2.70                
 16 HIS+ HN     41 TRP  O       1.70                
 17 ASN  N      22 ASP- O       2.70                
 17 ASN  HN     22 ASP- O       1.70                
 17 ASN  O      21 ARG+ N       2.70                
 17 ASN  O      21 ARG+ HN      1.70                
 18 ASN  N      38 GLY  O       2.70                
 18 ASN  HN     38 GLY  O       1.70                
 30 GLY  O      86 ILE  N       2.70                
 30 GLY  O      86 ILE  HN      1.70                
 31 THR  OG1    86 ILE  N       2.70                
 31 THR  OG1    86 ILE  HN      1.70                
 32 MET  N      84 ILE  O       2.70                
 32 MET  HN     84 ILE  O       1.70                
 32 MET  O      84 ILE  N       2.70                
 32 MET  O      84 ILE  HN      1.70                
 34 VAL  N      82 LEU  O       2.70                
 34 VAL  HN     82 LEU  O       1.70                
 36 ILE  O      81 ILE  N       2.70                
 36 ILE  O      81 ILE  HN      1.70                
 38 GLY  N      78 ILE  O       2.70                
 38 GLY  HN     78 ILE  O       1.70                
 39 VAL  O      78 ILE  N       2.70                
 39 VAL  O      78 ILE  HN      1.70                
 42 VAL  N      73 TRP  O       2.70                
 42 VAL  HN     73 TRP  O       1.70                
 42 VAL  O      73 TRP  N       2.70                
 42 VAL  O      73 TRP  HN      1.70                
 44 SER  N      71 GLY  O       2.70                
 44 SER  HN     71 GLY  O       1.70                
 45 GLY  O      70 TRP  N       2.70                
 45 GLY  O      70 TRP  HN      1.70                
 48 VAL  O      87 TYR  N       2.70                
 48 VAL  O      87 TYR  HN      1.70                
 49 VAL  N      67 LEU  O       2.70                
 49 VAL  HN     67 LEU  O       1.70                
 49 VAL  O      67 LEU  N       2.70                
 49 VAL  O      67 LEU  HN      1.70                
 50 THR  N      85 ARG+ O       2.70                
 50 THR  HN     85 ARG+ O       1.70                
 50 THR  O      85 ARG+ N       2.70                
 50 THR  O      85 ARG+ HN      1.70                
 51 LEU  N      65 ILE  O       2.70                
 51 LEU  HN     65 ILE  O       1.70                
 51 LEU  O      65 ILE  N       2.70                
 51 LEU  O      65 ILE  HN      1.70                
 52 GLN  O      82 LEU  N       2.70                
 52 GLN  O      82 LEU  HN      1.70                
 52 GLN  O      83 SER  N       2.70                
 52 GLN  O      83 SER  HN      1.70                
 53 PHE  N      63 GLU- O       2.70                
 53 PHE  HN     63 GLU- O       1.70                
 53 PHE  O      63 GLU- N       2.70                
 53 PHE  O      63 GLU- HN      1.70                
 54 GLN  N      80 GLU- O       2.70                
 54 GLN  HN     80 GLU- O       1.70                
 54 GLN  NE2    56 ASN  O       2.70                
 54 GLN  HE21   56 ASN  O       1.70                
 55 ARG+ N      61 ARG+ O       2.70                
 55 ARG+ HN     61 ARG+ O       1.70                
 59 ASP- O      61 ARG+ N       2.70                
 68 GLN  O      71 GLY  N       2.70                
 68 GLN  O      71 GLY  HN      1.70                
#Dihedral Angle restrictions in DYANA format for AFP1
   3 ASN   PHI    -138.0   -90.0
   3 ASN   PSI     126.0   160.0
   4 ARG+  PHI    -101.0   -63.0
   4 ARG+  PSI     110.0   160.0
   5 THR   PHI    -120.0   -86.0
   5 THR   CHI1    160.0   200.0
   5 THR   PSI     119.0   149.0
  13 LEU   PHI    -100.0   -66.0
  13 LEU   PSI     108.0   136.0
  14 GLU-  PHI    -142.0   -98.0
  14 GLU-  CHI1    -80.0   -40.0
  14 GLU-  PSI     119.0   145.0
  15 ILE   PHI    -146.0  -102.0
  15 ILE   CHI1    -80.0   -40.0
  15 ILE   PSI     123.0   143.0
  16 HIS+  PHI    -122.0   -74.0
  16 HIS+  CHI1     50.0    70.0
  16 HIS+  PSI     109.0   145.0
  17 ASN   PHI    -141.0   -73.0
  17 ASN   CHI1     40.0    80.0
  17 ASN   PSI     127.0   189.0
  21 ARG+  PHI    -106.0   -66.0
  21 ARG+  PHI    -120.0   -20.0
  21 ARG+  PSI     -50.0     4.0
  21 ARG+  PSI    -100.0     0.0
  22 ASP-  CHI1    -80.0   -40.0
  23 THR   PHI    -142.0   -64.0
  23 THR   CHI1    -80.0   -40.0
  23 THR   PSI     112.0   164.0
  24 LEU   PHI    -161.0   -87.0
  24 LEU   CHI1    -80.0   -40.0
  24 LEU   PSI      99.0   183.0
  25 CYSS  CHI1    -80.0   -40.0
  26 PHE   PHI    -163.0  -109.0
  26 PHE   CHI1    -80.0   -40.0
  26 PHE   PSI     127.0   181.0
  27 ALA   PHI    -141.0   -85.0
  27 ALA   PSI     147.0   171.0
  28 ASN   CHI1    -80.0   -40.0
  29 ALA   PHI    -110.0   -42.0
  29 ALA   PSI     -49.0     1.0
  31 THR   PHI    -144.0  -106.0
  31 THR   CHI1    -80.0   -40.0
  31 THR   PSI     122.0   146.0
  32 MET   PHI    -140.0  -114.0
  32 MET   CHI1     40.0    80.0
  32 MET   PSI     136.0   158.0
  33 PRO   PSI     121.0   153.0
  34 VAL   PHI    -145.0  -123.0
  34 VAL   CHI1    -80.0   -40.0
  34 VAL   PSI     145.0   161.0
  35 ALA   PHI    -129.0   -83.0
  35 ALA   PSI     113.0   135.0
  36 ILE   PHI    -144.0   -90.0
  36 ILE   CHI1    -80.0   -40.0
  36 ILE   PSI     115.0   147.0
  37 TYR   PHI    -101.0   -67.0
  37 TYR   CHI1    -80.0   -40.0
  37 TYR   PSI     125.0   165.0
  39 VAL   PHI    -121.0   -49.0
  39 VAL   CHI1    160.0   200.0
  39 VAL   PSI      98.0   152.0
  40 ASN   CHI1    -80.0   -40.0
  42 VAL   PHI    -144.0  -120.0
  42 VAL   CHI1    160.0   200.0
  42 VAL   PSI     132.0   152.0
  43 GLU-  PHI    -142.0   -86.0
  43 GLU-  CHI1    -80.0   -40.0
  43 GLU-  PSI     112.0   156.0
  44 SER   CHI1    -80.0   -40.0
  46 ASN   CHI1    160.0   200.0
  47 ASN   CHI1     40.0    80.0
  48 VAL   PHI    -128.0   -74.0
  48 VAL   CHI1    160.0   200.0
  48 VAL   PSI     109.0   153.0
  49 VAL   PHI    -200.0   -80.0
  49 VAL   PSI      40.0   220.0
  51 LEU   PHI    -139.0  -111.0
  51 LEU   CHI1    -80.0   -40.0
  51 LEU   PSI     127.0   157.0
  52 GLN   PHI    -148.0   -96.0
  52 GLN   CHI1    -80.0   -40.0
  52 GLN   PSI     112.0   164.0
  53 PHE   PHI    -135.0  -121.0
  53 PHE   PSI     130.0   152.0
  54 GLN   PHI    -133.0   -99.0
  54 GLN   PSI     115.0   159.0
  56 ASN   PHI    -165.0   -91.0
  56 ASN   CHI1    -80.0   -40.0
  56 ASN   PSI     123.0   189.0
  59 ASP-  PHI    -134.0  -104.0
  59 ASP-  CHI1    160.0   200.0
  59 ASP-  PSI     112.0   154.0
  62 LEU   PHI    -107.0   -77.0
  62 LEU   PSI     123.0   141.0
  63 GLU-  PHI    -168.0  -116.0
  63 GLU-  CHI1    -80.0   -40.0
  63 GLU-  PSI     137.0   177.0
  64 THR   PHI    -140.0  -114.0
  64 THR   CHI1     40.0    80.0
  64 THR   PSI     133.0   167.0
  65 ILE   PHI    -151.0  -107.0
  65 ILE   CHI1    160.0   200.0
  65 ILE   PSI     108.0   142.0
  66 THR   PHI    -138.0  -104.0
  66 THR   CHI1    -80.0   -40.0
  66 THR   PSI     122.0   140.0
  67 LEU   PHI    -131.0   -97.0
  67 LEU   CHI1    -80.0   -40.0
  67 LEU   PSI     126.0   154.0
  68 GLN   PHI    -132.0   -68.0
  68 GLN   CHI1    -80.0   -40.0
  68 GLN   PSI     142.0   180.0
  69 LYS+  CHI1    -80.0   -40.0
  72 SER   PHI    -146.0   -90.0
  72 SER   PSI     135.0   159.0
  77 HIS+  CHI1    160.0   200.0
  78 ILE   PHI    -127.0   -91.0
  78 ILE   CHI1    -80.0   -40.0
  78 ILE   PSI     112.0   178.0
  79 HIS+  CHI1    160.0   200.0
  80 GLU-  PHI    -168.0  -102.0
  80 GLU-  CHI1    160.0   200.0
  80 GLU-  PSI     127.0   177.0
  81 ILE   PHI    -127.0   -79.0
  81 ILE   CHI1    -80.0   -40.0
  81 ILE   PSI      98.0   138.0
  82 LEU   CHI1    -80.0   -40.0
  83 SER   PHI    -146.0   -62.0
  83 SER   CHI1    160.0   200.0
  83 SER   PSI     118.0   170.0
  84 ILE   PHI    -146.0   -98.0
  84 ILE   CHI1    -80.0   -40.0
  84 ILE   PSI     118.0   144.0
  85 ARG+  PHI    -122.0   -94.0
  85 ARG+  CHI1    160.0   200.0
  85 ARG+  PSI     119.0   129.0
  86 ILE   PHI    -135.0   -91.0
  86 ILE   CHI1    -80.0   -40.0
  86 ILE   PSI     111.0   133.0
  87 TYR   PHI    -120.0   -20.0
  87 TYR   CHI1    -80.0   -40.0
  87 TYR   PSI    -100.0     0.0
#Coupling constants restrictions in DYANA format for AFP1
3    ASN  HN  HA  8.16  1.01
4    ARG+ HN  HA  7.24  1.01
8    ASN  HN  HA  7.78  1.01
12   TYR  HN  HA  7.33  1.01
13   LEU  HN  HA  7.64  1.01
14   GLU- HN  HA  9.48  1.01
15   ILE  HN  HA  8.99  1.01
16   HIS+ HN  HA  8.63  2.01
17   ASN  HN  HA  7.98  1.01
18   ASN  HN  HA  8.10  1.01
19   GLU- HN  HA  6.61  1.01
21   ARG+ HN  HA  7.95  1.01
22   ASP- HN  HA  10.19 1.01
23   THR  HN  HA  8.49  1.01 
24   LEU  HN  HA  9.43  1.01
25   CYSS HN  HA  9.90  1.01
26   PHE  HN  HA  9.49  1.01
27   ALA  HN  HA  8.81  1.01
28   ASN  HN  HA  6.37  1.01
29   ALA  HN  HA  3.76  1.01 
31   THR  HN  HA  8.34  1.01
32   MET  HN  HA  8.92  1.01
34   VAL  HN  HA  8.79  1.01
35   ALA  HN  HA  8.79  1.01
36   ILE  HN  HA  10.65 1.01
37   TYR  HN  HA  8.30  1.01
39   VAL  HN  HA  6.28  1.01
40   ASN  HN  HA  10.40 1.01
41   TRP  HN  HA  5.34  1.01
42   VAL  HN  HA  9.78  1.01
43   GLU- HN  HA  8.58  1.01
44   SER  HN  HA  6.64  1.01 
46   ASN  HN  HA  3.00  2.00
47   ASN  HN  HA  9.16  1.01 
48   VAL  HN  HA  9.54  1.01 
49   VAL  HN  HA  10.41 1.01
50   THR  HN  HA  9.45  1.01
51   LEU  HN  HA  10.21 1.01
53   PHE  HN  HA  9.00  1.01
54   GLN  HN  HA  10.04 1.01
55   ARG+ HN  HA  3.64  1.01
56   ASN  HN  HA  9.80  1.01 
59   ASP- HN  HA  9.82  1.01
61   ARG+ HN  HA  5.15  1.01
62   LEU  HN  HA  7.81  1.01
63   GLU- HN  HA  10.11 1.01
64   THR  HN  HA  9.11  1.01
65   ILE  HN  HA  8.12  1.01 
66   THR  HN  HA  9.51  1.01
67   LEU  HN  HA  10.07 1.01
68   GLN  HN  HA  8.45  1.01
69   LYS+ HN  HA  3.04  1.01
70   TRP  HN  HA  7.63  1.01
72   SER  HN  HA  10.35 1.01 
73   TRP  HN  HA  10.00 1.01
77   HIS+ HN  HA  7.27  1.01 
78   ILE  HN  HA  9.17  1.01
79   HIS+ HN  HA  3.18  1.01 
80   GLU- HN  HA  7.69  1.01
81   ILE  HN  HA  8.46  1.01
82   LEU  HN  HA  10.28 2.01
83   SER  HN  HA  6.50  2.01
84   ILE  HN  HA  10.04 1.01
85   ARG+ HN  HA  9.25  1.01
86   ILE  HN  HA  9.36  1.01
87   TYR  HN  HA  8.58  1.01

  Entry H atom name         Submitted Coord H atom name
    1    H    MET   1           H        MET   1  -5.058  13.082   9.056
    2    HA   MET   1           HA       MET   1  -2.774  12.697   8.159
    3   1HB   MET   1          1HB       MET   1  -3.218  12.679  11.152
    4   2HB   MET   1          2HB       MET   1  -1.577  12.696  10.461
    5   1HG   MET   1          1HG       MET   1  -1.756  14.838   9.765
    6   2HG   MET   1          2HG       MET   1  -3.419  14.614   9.197
    7   1HE   MET   1          1HE       MET   1  -1.635  16.944  10.821
    8   2HE   MET   1          2HE       MET   1  -3.221  17.404  10.158
    9   3HE   MET   1          3HE       MET   1  -2.853  17.702  11.874
   10    H    ILE   2           H        ILE   2  -1.944  10.962   7.147
   11    HA   ILE   2           HA       ILE   2  -2.178   8.295   8.279
   12    HB   ILE   2           HB       ILE   2  -2.330   8.572   5.881
   13   1HG1  ILE   2          1HG1      ILE   2   0.425   7.427   6.488
   14   2HG1  ILE   2          2HG1      ILE   2  -1.094   6.571   6.850
   15   1HG2  ILE   2          1HG2      ILE   2  -1.190  10.569   5.387
   16   2HG2  ILE   2          2HG2      ILE   2   0.264  10.074   6.285
   17   3HG2  ILE   2          3HG2      ILE   2  -0.107   9.328   4.713
   18   1HD1  ILE   2          1HD1      ILE   2   0.298   6.549   4.409
   19   2HD1  ILE   2          2HD1      ILE   2  -1.362   5.970   4.688
   20   3HD1  ILE   2          3HD1      ILE   2  -1.083   7.636   4.126
   21    H    ASN   3           H        ASN   3  -0.661   7.140   9.380
   22    HA   ASN   3           HA       ASN   3   2.080   8.250   9.554
   23   1HB   ASN   3          1HB       ASN   3   0.053   8.155  11.693
   24   2HB   ASN   3          2HB       ASN   3   1.595   7.388  12.130
   25   1HD2  ASN   3          1HD2      ASN   3   1.664   9.240  13.703
   26   2HD2  ASN   3          2HD2      ASN   3   2.339  10.757  13.149
   27    H    ARG   4           H        ARG   4   3.679   6.697   9.927
   28    HA   ARG   4           HA       ARG   4   2.955   4.005   9.147
   29   1HB   ARG   4          1HB       ARG   4   5.139   5.428   8.715
   30   2HB   ARG   4          2HB       ARG   4   5.639   4.757  10.286
   31   1HG   ARG   4          1HG       ARG   4   4.899   2.464   9.301
   32   2HG   ARG   4          2HG       ARG   4   4.960   3.286   7.724
   33   1HD   ARG   4          1HD       ARG   4   7.110   2.207   8.169
   34   2HD   ARG   4          2HD       ARG   4   7.307   3.972   8.203
   35    HE   ARG   4           HE       ARG   4   6.788   2.729  10.807
   36   1HH1  ARG   4          1HH1      ARG   4  10.082   3.454  11.839
   37   2HH1  ARG   4          2HH1      ARG   4   8.495   2.926  12.352
   38   1HH2  ARG   4          1HH2      ARG   4  10.473   3.957   9.607
   39   2HH2  ARG   4          2HH2      ARG   4   9.180   3.808   8.438
   40    H    THR   5           H        THR   5   1.943   2.685  10.555
   41    HA   THR   5           HA       THR   5   2.897   2.724  13.380
   42    HB   THR   5           HB       THR   5   0.542   3.399  13.106
   43    HG1  THR   5           1HG      THR   5   0.529   2.342  14.920
   44   1HG2  THR   5          1HG2      THR   5   0.433   0.779  11.584
   45   2HG2  THR   5          2HG2      THR   5  -1.026   1.476  12.328
   46   3HG2  THR   5          3HG2      THR   5  -0.144   2.386  11.078
   47    H    ASP   6           H        ASP   6   3.202   0.710  14.442
   48    HA   ASP   6           HA       ASP   6   3.958  -1.441  12.574
   49   1HB   ASP   6          1HB       ASP   6   5.073  -0.383  14.904
   50   2HB   ASP   6          2HB       ASP   6   4.370  -1.927  15.430
   51    H    CYS   7           H        CYS   7   1.152  -0.936  12.830
   52    HA   CYS   7           HA       CYS   7  -0.817  -2.027  13.245
   53   1HB   CYS   7          1HB       CYS   7   0.174  -4.674  13.778
   54   2HB   CYS   7          2HB       CYS   7  -0.677  -4.063  12.349
   55    H    ASN   8           H        ASN   8  -1.388  -1.071  15.208
   56    HA   ASN   8           HA       ASN   8  -0.421  -2.380  17.680
   57   1HB   ASN   8          1HB       ASN   8  -1.724  -0.427  18.721
   58   2HB   ASN   8          2HB       ASN   8  -0.259  -0.022  17.800
   59   1HD2  ASN   8          1HD2      ASN   8  -0.552   0.627  15.495
   60   2HD2  ASN   8          2HD2      ASN   8  -1.998   1.513  15.060
   61    H    GLU   9           H        GLU   9  -3.142  -2.237  15.524
   62    HA   GLU   9           HA       GLU   9  -4.676  -3.897  17.456
   63   1HB   GLU   9          1HB       GLU   9  -5.344  -1.288  16.842
   64   2HB   GLU   9          2HB       GLU   9  -6.301  -2.215  15.661
   65   1HG   GLU   9          1HG       GLU   9  -6.706  -3.720  17.891
   66   2HG   GLU   9          2HG       GLU   9  -6.502  -2.118  18.633
   67    H    ASN  10           H        ASN  10  -6.909  -4.070  15.544
   68    HA   ASN  10           HA       ASN  10  -5.583  -5.600  13.358
   69   1HB   ASN  10          1HB       ASN  10  -7.358  -6.520  15.495
   70   2HB   ASN  10          2HB       ASN  10  -8.006  -6.884  13.881
   71   1HD2  ASN  10          1HD2      ASN  10  -7.562  -9.147  14.853
   72   2HD2  ASN  10          2HD2      ASN  10  -5.990  -9.834  14.506
   73    H    SER  11           H        SER  11  -6.687  -5.635  11.366
   74    HA   SER  11           HA       SER  11  -8.350  -5.044   9.845
   75   1HB   SER  11          1HB       SER  11 -10.379  -4.161  10.521
   76   2HB   SER  11          2HB       SER  11  -9.823  -4.878  12.052
   77    HG   SER  11           HG       SER  11  -8.744  -2.597  12.136
   78    H    TYR  12           H        TYR  12  -6.093  -4.061   9.320
   79    HA   TYR  12           HA       TYR  12  -6.566  -1.209   8.765
   80   1HB   TYR  12          1HB       TYR  12  -4.348  -2.315  10.478
   81   2HB   TYR  12          2HB       TYR  12  -4.078  -0.867   9.492
   82    HD1  TYR  12           1HD      TYR  12  -6.387   0.748   9.678
   83    HD2  TYR  12           2HD      TYR  12  -4.694  -1.793  12.700
   84    HE1  TYR  12           1HE      TYR  12  -7.437   2.143  11.439
   85    HE2  TYR  12           2HE      TYR  12  -5.744  -0.398  14.461
   86    HH   TYR  12           HH       TYR  12  -6.598   2.237  14.540
   87    H    LEU  13           H        LEU  13  -4.547  -0.401   7.406
   88    HA   LEU  13           HA       LEU  13  -4.233  -2.404   5.265
   89   1HB   LEU  13          1HB       LEU  13  -4.907  -0.361   4.363
   90   2HB   LEU  13          2HB       LEU  13  -3.931   0.586   5.511
   91    HG   LEU  13           HG       LEU  13  -1.912  -0.681   4.334
   92   1HD1  LEU  13          1HD1      LEU  13  -2.636  -0.715   1.787
   93   2HD1  LEU  13          2HD1      LEU  13  -2.938  -2.131   2.821
   94   3HD1  LEU  13          3HD1      LEU  13  -4.258  -0.992   2.465
   95   1HD2  LEU  13          1HD2      LEU  13  -2.324   1.222   2.408
   96   2HD2  LEU  13          2HD2      LEU  13  -3.443   1.781   3.675
   97   3HD2  LEU  13          3HD2      LEU  13  -1.713   1.576   4.042
   98    H    GLU  14           H        GLU  14  -2.388  -3.503   4.912
   99    HA   GLU  14           HA       GLU  14   0.101  -2.453   6.163
  100   1HB   GLU  14          1HB       GLU  14  -0.637  -5.394   6.051
  101   2HB   GLU  14          2HB       GLU  14   0.673  -4.617   6.974
  102   1HG   GLU  14          1HG       GLU  14  -0.733  -3.912   8.635
  103   2HG   GLU  14          2HG       GLU  14  -2.073  -3.600   7.511
  104    H    ILE  15           H        ILE  15   1.999  -2.811   4.997
  105    HA   ILE  15           HA       ILE  15   1.701  -4.182   2.379
  106    HB   ILE  15           HB       ILE  15   2.888  -1.421   2.856
  107   1HG1  ILE  15          1HG1      ILE  15   0.645  -2.169   0.965
  108   2HG1  ILE  15          2HG1      ILE  15   0.310  -1.816   2.677
  109   1HG2  ILE  15          1HG2      ILE  15   2.588  -2.892   0.217
  110   2HG2  ILE  15          2HG2      ILE  15   3.541  -1.430   0.566
  111   3HG2  ILE  15          3HG2      ILE  15   4.070  -3.008   1.197
  112   1HD1  ILE  15          1HD1      ILE  15   0.268   0.131   0.879
  113   2HD1  ILE  15          2HD1      ILE  15   0.975   0.412   2.488
  114   3HD1  ILE  15          3HD1      ILE  15   2.034   0.085   1.094
  115    H    HIS  16           H        HIS  16   3.196  -5.740   2.264
  116    HA   HIS  16           HA       HIS  16   5.791  -5.267   3.658
  117   1HB   HIS  16          1HB       HIS  16   5.883  -7.667   4.066
  118   2HB   HIS  16          2HB       HIS  16   4.397  -6.987   4.753
  119    HD1  HIS  16           1HD      HIS  16   5.575  -9.534   2.228
  120    HD2  HIS  16           2HD      HIS  16   2.054  -7.510   3.373
  121    HE1  HIS  16           1HE      HIS  16   3.616 -10.803   1.153
  122    HE2  HIS  16           2HE      HIS  16   1.483  -9.565   1.855
  123    H    ASN  17           H        ASN  17   7.129  -4.643   2.025
  124    HA   ASN  17           HA       ASN  17   7.010  -6.167  -0.518
  125   1HB   ASN  17          1HB       ASN  17   8.491  -4.307  -1.333
  126   2HB   ASN  17          2HB       ASN  17   6.884  -3.775  -0.794
  127   1HD2  ASN  17          1HD2      ASN  17   8.767  -1.842  -0.935
  128   2HD2  ASN  17          2HD2      ASN  17   9.332  -1.389   0.659
  129    H    ASN  18           H        ASN  18   9.527  -5.957  -1.479
  130    HA   ASN  18           HA       ASN  18  11.587  -6.949  -1.400
  131   1HB   ASN  18          1HB       ASN  18  11.240  -5.963   1.429
  132   2HB   ASN  18          2HB       ASN  18  12.663  -6.930   0.987
  133   1HD2  ASN  18          1HD2      ASN  18  11.916  -3.885   1.579
  134   2HD2  ASN  18          2HD2      ASN  18  12.844  -3.039   0.359
  135    H    GLU  19           H        GLU  19   9.193  -8.581  -1.198
  136    HA   GLU  19           HA       GLU  19   8.683 -10.792  -0.893
  137   1HB   GLU  19          1HB       GLU  19  11.634 -10.909  -0.172
  138   2HB   GLU  19          2HB       GLU  19  10.589 -12.344  -0.297
  139   1HG   GLU  19          1HG       GLU  19  10.040 -11.740  -2.632
  140   2HG   GLU  19          2HG       GLU  19  11.083 -10.306  -2.508
  141    H    GLY  20           H        GLY  20   8.349  -8.771   1.228
  142   1HA   GLY  20          1HA       GLY  20   7.380  -8.904   3.334
  143   2HA   GLY  20          2HA       GLY  20   7.799 -10.631   3.407
  144    H    ARG  21           H        ARG  21   9.892  -7.764   2.833
  145    HA   ARG  21           HA       ARG  21  11.627  -8.709   5.039
  146   1HB   ARG  21          1HB       ARG  21  12.398  -8.137   2.607
  147   2HB   ARG  21          2HB       ARG  21  12.252  -6.445   3.140
  148   1HG   ARG  21          1HG       ARG  21  13.663  -8.270   5.023
  149   2HG   ARG  21          2HG       ARG  21  14.503  -7.951   3.486
  150   1HD   ARG  21          1HD       ARG  21  13.879  -5.448   3.967
  151   2HD   ARG  21          2HD       ARG  21  13.657  -6.006   5.640
  152    HE   ARG  21           HE       ARG  21  16.195  -6.786   4.398
  153   1HH1  ARG  21          1HH1      ARG  21  17.944  -4.593   6.535
  154   2HH1  ARG  21          2HH1      ARG  21  18.088  -5.902   5.384
  155   1HH2  ARG  21          1HH2      ARG  21  15.853  -3.742   7.071
  156   2HH2  ARG  21          2HH2      ARG  21  14.419  -4.411   6.324
  157    H    ASP  22           H        ASP  22   9.954  -5.763   3.828
  158    HA   ASP  22           HA       ASP  22  10.042  -4.731   6.622
  159   1HB   ASP  22          1HB       ASP  22  10.480  -3.242   4.010
  160   2HB   ASP  22          2HB       ASP  22  10.182  -2.442   5.569
  161    H    THR  23           H        THR  23   8.027  -4.643   7.414
  162    HA   THR  23           HA       THR  23   5.788  -4.338   5.488
  163    HB   THR  23           HB       THR  23   5.852  -5.261   8.388
  164    HG1  THR  23           1HG      THR  23   6.643  -6.865   7.160
  165   1HG2  THR  23          1HG2      THR  23   3.577  -5.316   6.362
  166   2HG2  THR  23          2HG2      THR  23   3.505  -5.801   8.073
  167   3HG2  THR  23          3HG2      THR  23   3.741  -4.090   7.642
  168    H    LEU  24           H        LEU  24   4.164  -2.771   5.822
  169    HA   LEU  24           HA       LEU  24   4.790  -0.692   7.852
  170   1HB   LEU  24          1HB       LEU  24   3.854   0.028   5.071
  171   2HB   LEU  24          2HB       LEU  24   4.665   1.047   6.284
  172    HG   LEU  24           HG       LEU  24   6.378  -1.182   5.739
  173   1HD1  LEU  24          1HD1      LEU  24   4.742  -0.561   3.494
  174   2HD1  LEU  24          2HD1      LEU  24   6.342   0.148   3.168
  175   3HD1  LEU  24          3HD1      LEU  24   6.195  -1.589   3.529
  176   1HD2  LEU  24          1HD2      LEU  24   7.497   1.022   4.498
  177   2HD2  LEU  24          2HD2      LEU  24   6.364   1.772   5.647
  178   3HD2  LEU  24          3HD2      LEU  24   7.620   0.656   6.235
  179    H    CYS  25           H        CYS  25   3.079  -0.569   9.169
  180    HA   CYS  25           HA       CYS  25   0.406  -1.236   8.068
  181   1HB   CYS  25          1HB       CYS  25   1.172  -0.818  10.964
  182   2HB   CYS  25          2HB       CYS  25  -0.249  -1.651  10.315
  183    H    PHE  26           H        PHE  26  -0.900   0.397   7.506
  184    HA   PHE  26           HA       PHE  26  -0.402   3.053   8.758
  185   1HB   PHE  26          1HB       PHE  26  -1.680   2.257   6.122
  186   2HB   PHE  26          2HB       PHE  26  -1.626   3.913   6.749
  187    HD1  PHE  26           1HD      PHE  26   0.168   1.310   4.985
  188    HD2  PHE  26           2HD      PHE  26   0.622   5.020   7.103
  189    HE1  PHE  26           1HE      PHE  26   2.403   1.623   3.957
  190    HE2  PHE  26           2HE      PHE  26   2.858   5.333   6.075
  191    HZ   PHE  26           HZ       PHE  26   3.748   3.634   4.502
  192    H    ALA  27           H        ALA  27  -2.253   4.343   9.348
  193    HA   ALA  27           HA       ALA  27  -4.807   2.866   9.586
  194   1HB   ALA  27          1HB       ALA  27  -4.877   2.905  11.872
  195   2HB   ALA  27          2HB       ALA  27  -3.106   2.857  11.693
  196   3HB   ALA  27          3HB       ALA  27  -3.929   4.409  11.982
  197    H    ASN  28           H        ASN  28  -6.494   4.486  10.614
  198    HA   ASN  28           HA       ASN  28  -7.655   6.446  10.391
  199   1HB   ASN  28          1HB       ASN  28  -4.804   7.423  10.263
  200   2HB   ASN  28          2HB       ASN  28  -6.151   8.547   9.981
  201   1HD2  ASN  28          1HD2      ASN  28  -5.216   9.584  11.977
  202   2HD2  ASN  28          2HD2      ASN  28  -5.768   8.999  13.532
  203    H    ALA  29           H        ALA  29  -8.690   7.611   8.755
  204    HA   ALA  29           HA       ALA  29  -8.378   6.604   6.114
  205   1HB   ALA  29          1HB       ALA  29 -10.096   8.198   5.531
  206   2HB   ALA  29          2HB       ALA  29 -10.474   7.558   7.149
  207   3HB   ALA  29          3HB       ALA  29  -9.752   9.176   6.977
  208    H    GLY  30           H        GLY  30  -6.494   8.814   7.853
  209   1HA   GLY  30          1HA       GLY  30  -5.837  10.925   6.286
  210   2HA   GLY  30          2HA       GLY  30  -4.604   9.944   7.111
  211    H    THR  31           H        THR  31  -4.296  11.342   4.573
  212    HA   THR  31           HA       THR  31  -3.593   8.989   2.916
  213    HB   THR  31           HB       THR  31  -5.198  11.412   2.028
  214    HG1  THR  31           1HG      THR  31  -6.703   9.987   2.236
  215   1HG2  THR  31          1HG2      THR  31  -4.958  10.011  -0.233
  216   2HG2  THR  31          2HG2      THR  31  -3.744  11.228   0.228
  217   3HG2  THR  31          3HG2      THR  31  -3.429   9.502   0.523
  218    H    MET  32           H        MET  32  -1.465   9.090   2.550
  219    HA   MET  32           HA       MET  32  -0.275  11.722   1.908
  220   1HB   MET  32          1HB       MET  32   1.455  11.528   3.517
  221   2HB   MET  32          2HB       MET  32  -0.035  11.132   4.406
  222   1HG   MET  32          1HG       MET  32   0.398   8.719   3.999
  223   2HG   MET  32          2HG       MET  32   1.914   9.144   3.186
  224   1HE   MET  32          1HE       MET  32   2.868   7.304   4.661
  225   2HE   MET  32          2HE       MET  32   3.211   7.445   6.402
  226   3HE   MET  32          3HE       MET  32   1.564   7.062   5.848
  227    HA   PRO  33           HA       PRO  33   1.877   9.393  -1.124
  228   1HB   PRO  33          1HB       PRO  33   4.157  10.846  -1.458
  229   2HB   PRO  33          2HB       PRO  33   2.543  11.513  -1.868
  230   1HG   PRO  33          1HG       PRO  33   4.090  11.898   0.711
  231   2HG   PRO  33          2HG       PRO  33   3.372  13.172  -0.328
  232   1HD   PRO  33          1HD       PRO  33   2.051  12.202   1.850
  233   2HD   PRO  33          2HD       PRO  33   1.164  12.563   0.338
  234    H    VAL  34           H        VAL  34   2.995   7.516  -1.013
  235    HA   VAL  34           HA       VAL  34   5.179   7.312   0.996
  236    HB   VAL  34           HB       VAL  34   4.391   5.139   1.678
  237   1HG1  VAL  34          1HG1      VAL  34   1.727   6.385   1.710
  238   2HG1  VAL  34          2HG1      VAL  34   2.819   6.002   3.063
  239   3HG1  VAL  34          3HG1      VAL  34   3.023   7.521   2.157
  240   1HG2  VAL  34          1HG2      VAL  34   1.847   4.894   0.453
  241   2HG2  VAL  34          2HG2      VAL  34   2.981   5.299  -0.858
  242   3HG2  VAL  34          3HG2      VAL  34   3.281   3.878   0.171
  243    H    ALA  35           H        ALA  35   6.698   5.524   0.514
  244    HA   ALA  35           HA       ALA  35   6.726   4.852  -2.389
  245   1HB   ALA  35          1HB       ALA  35   9.222   5.101  -2.250
  246   2HB   ALA  35          2HB       ALA  35   8.337   6.629  -2.025
  247   3HB   ALA  35          3HB       ALA  35   9.019   5.780  -0.617
  248    H    ILE  36           H        ILE  36   6.368   2.712  -2.496
  249    HA   ILE  36           HA       ILE  36   7.909   0.983  -0.623
  250    HB   ILE  36           HB       ILE  36   5.002   0.833  -1.464
  251   1HG1  ILE  36          1HG1      ILE  36   5.768   0.133   1.273
  252   2HG1  ILE  36          2HG1      ILE  36   6.344   1.755   0.821
  253   1HG2  ILE  36          1HG2      ILE  36   5.654  -1.386  -1.873
  254   2HG2  ILE  36          2HG2      ILE  36   6.908  -1.353  -0.611
  255   3HG2  ILE  36          3HG2      ILE  36   5.190  -1.438  -0.156
  256   1HD1  ILE  36          1HD1      ILE  36   3.606   0.807   1.314
  257   2HD1  ILE  36          2HD1      ILE  36   4.242   2.469   1.270
  258   3HD1  ILE  36          3HD1      ILE  36   3.765   1.659  -0.241
  259    H    TYR  37           H        TYR  37   9.446   0.046  -1.847
  260    HA   TYR  37           HA       TYR  37   8.740  -0.710  -4.631
  261   1HB   TYR  37          1HB       TYR  37  11.463  -0.611  -3.301
  262   2HB   TYR  37          2HB       TYR  37  11.116  -0.773  -5.031
  263    HD1  TYR  37           1HD      TYR  37  10.817   1.554  -2.127
  264    HD2  TYR  37           2HD      TYR  37  10.843   1.127  -6.401
  265    HE1  TYR  37           1HE      TYR  37  10.894   4.021  -2.373
  266    HE2  TYR  37           2HE      TYR  37  10.921   3.594  -6.647
  267    HH   TYR  37           HH       TYR  37  10.084   5.724  -4.699
  268    H    GLY  38           H        GLY  38   8.634  -2.815  -5.247
  269   1HA   GLY  38          1HA       GLY  38   9.014  -5.113  -5.149
  270   2HA   GLY  38          2HA       GLY  38   9.887  -4.899  -3.615
  271    H    VAL  39           H        VAL  39   6.549  -4.257  -4.846
  272    HA   VAL  39           HA       VAL  39   5.424  -4.976  -2.252
  273    HB   VAL  39           HB       VAL  39   4.028  -4.389  -4.891
  274   1HG1  VAL  39          1HG1      VAL  39   2.205  -3.665  -3.292
  275   2HG1  VAL  39          2HG1      VAL  39   2.553  -5.410  -3.258
  276   3HG1  VAL  39          3HG1      VAL  39   3.174  -4.353  -1.967
  277   1HG2  VAL  39          1HG2      VAL  39   4.011  -2.230  -2.957
  278   2HG2  VAL  39          2HG2      VAL  39   5.689  -2.695  -3.328
  279   3HG2  VAL  39          3HG2      VAL  39   4.586  -2.219  -4.641
  280    H    ASN  40           H        ASN  40   5.175  -7.045  -1.660
  281    HA   ASN  40           HA       ASN  40   4.793  -9.075  -3.792
  282   1HB   ASN  40          1HB       ASN  40   5.811  -9.117  -0.953
  283   2HB   ASN  40          2HB       ASN  40   5.203 -10.606  -1.709
  284   1HD2  ASN  40          1HD2      ASN  40   7.009  -7.833  -3.128
  285   2HD2  ASN  40          2HD2      ASN  40   8.373  -8.780  -3.681
  286    H    TRP  41           H        TRP  41   3.391  -7.767  -0.774
  287    HA   TRP  41           HA       TRP  41   0.745  -8.595  -1.621
  288   1HB   TRP  41          1HB       TRP  41   1.447 -10.717  -0.753
  289   2HB   TRP  41          2HB       TRP  41   2.136  -9.966   0.693
  290    HD1  TRP  41           HD       TRP  41  -0.022  -8.386   1.978
  291    HE1  TRP  41           1HE      TRP  41  -2.232  -9.350   2.798
  292    HE3  TRP  41           3HE      TRP  41  -0.191 -12.600  -0.923
  293    HZ2  TRP  41           2HZ      TRP  41  -3.882 -11.667   2.267
  294    HZ3  TRP  41           3HZ      TRP  41  -2.095 -14.159  -0.738
  295    HH2  TRP  41           HH       TRP  41  -3.944 -13.709   0.848
  296    H    VAL  42           H        VAL  42  -0.907  -7.606  -0.363
  297    HA   VAL  42           HA       VAL  42   0.049  -5.755   1.754
  298    HB   VAL  42           HB       VAL  42  -1.428  -5.104  -0.796
  299   1HG1  VAL  42          1HG1      VAL  42  -1.699  -2.823   0.682
  300   2HG1  VAL  42          2HG1      VAL  42  -2.983  -4.042   0.503
  301   3HG1  VAL  42          3HG1      VAL  42  -1.937  -4.055   1.943
  302   1HG2  VAL  42          1HG2      VAL  42   0.091  -3.048  -0.502
  303   2HG2  VAL  42          2HG2      VAL  42   0.868  -3.946   0.823
  304   3HG2  VAL  42          3HG2      VAL  42   0.906  -4.595  -0.834
  305    H    GLU  43           H        GLU  43  -1.393  -5.446   3.435
  306    HA   GLU  43           HA       GLU  43  -3.711  -7.284   3.422
  307   1HB   GLU  43          1HB       GLU  43  -2.633  -5.671   5.752
  308   2HB   GLU  43          2HB       GLU  43  -3.618  -7.153   5.793
  309   1HG   GLU  43          1HG       GLU  43  -1.536  -8.087   4.367
  310   2HG   GLU  43          2HG       GLU  43  -0.689  -6.810   5.267
  311    H    SER  44           H        SER  44  -5.782  -6.540   4.291
  312    HA   SER  44           HA       SER  44  -6.243  -3.653   4.374
  313   1HB   SER  44          1HB       SER  44  -7.826  -5.259   2.360
  314   2HB   SER  44          2HB       SER  44  -7.654  -3.493   2.501
  315    HG   SER  44           HG       SER  44  -5.560  -5.297   1.848
  316    H    GLY  45           H        GLY  45  -6.781  -4.294   6.569
  317   1HA   GLY  45          1HA       GLY  45  -8.575  -6.228   7.384
  318   2HA   GLY  45          2HA       GLY  45  -8.409  -4.638   8.164
  319    H    ASN  46           H        ASN  46 -10.799  -5.123   8.564
  320    HA   ASN  46           HA       ASN  46 -12.640  -5.039   6.373
  321   1HB   ASN  46          1HB       ASN  46 -13.263  -5.957   8.537
  322   2HB   ASN  46          2HB       ASN  46 -12.945  -4.399   9.329
  323   1HD2  ASN  46          1HD2      ASN  46 -15.262  -4.796  10.049
  324   2HD2  ASN  46          2HD2      ASN  46 -16.534  -4.201   9.005
  325    H    ASN  47           H        ASN  47 -11.001  -3.133   5.557
  326    HA   ASN  47           HA       ASN  47 -12.655  -0.719   5.771
  327   1HB   ASN  47          1HB       ASN  47 -10.416   0.591   6.115
  328   2HB   ASN  47          2HB       ASN  47 -11.242  -0.113   7.522
  329   1HD2  ASN  47          1HD2      ASN  47  -8.667  -0.736   5.096
  330   2HD2  ASN  47          2HD2      ASN  47  -7.686  -1.746   6.135
  331    H    VAL  48           H        VAL  48 -12.531   0.565   3.939
  332    HA   VAL  48           HA       VAL  48 -11.134  -0.681   1.665
  333    HB   VAL  48           HB       VAL  48 -13.021   1.702   1.720
  334   1HG1  VAL  48          1HG1      VAL  48 -13.077   1.518  -0.590
  335   2HG1  VAL  48          2HG1      VAL  48 -11.404   0.989  -0.288
  336   3HG1  VAL  48          3HG1      VAL  48 -12.682  -0.218  -0.566
  337   1HG2  VAL  48          1HG2      VAL  48 -14.129  -0.803   0.729
  338   2HG2  VAL  48          2HG2      VAL  48 -13.578  -0.979   2.413
  339   3HG2  VAL  48          3HG2      VAL  48 -14.757   0.285   1.990
  340    H    VAL  49           H        VAL  49  -9.192   0.005   1.002
  341    HA   VAL  49           HA       VAL  49  -8.493   2.859   1.436
  342    HB   VAL  49           HB       VAL  49  -6.871   0.409   2.202
  343   1HG1  VAL  49          1HG1      VAL  49  -5.759   2.453   0.841
  344   2HG1  VAL  49          2HG1      VAL  49  -5.767   3.182   2.465
  345   3HG1  VAL  49          3HG1      VAL  49  -4.921   1.641   2.185
  346   1HG2  VAL  49          1HG2      VAL  49  -8.284   2.639   3.587
  347   2HG2  VAL  49          2HG2      VAL  49  -7.952   0.980   4.141
  348   3HG2  VAL  49          3HG2      VAL  49  -6.677   2.219   4.229
  349    H    THR  50           H        THR  50  -7.313   3.779  -0.221
  350    HA   THR  50           HA       THR  50  -7.009   2.067  -2.623
  351    HB   THR  50           HB       THR  50  -7.374   5.017  -2.117
  352    HG1  THR  50           1HG      THR  50  -9.020   3.313  -2.678
  353   1HG2  THR  50          1HG2      THR  50  -5.642   5.308  -3.619
  354   2HG2  THR  50          2HG2      THR  50  -5.848   3.691  -4.333
  355   3HG2  THR  50          3HG2      THR  50  -6.962   5.007  -4.775
  356    H    LEU  51           H        LEU  51  -5.049   1.578  -3.460
  357    HA   LEU  51           HA       LEU  51  -2.688   2.783  -2.103
  358   1HB   LEU  51          1HB       LEU  51  -3.257   0.072  -3.309
  359   2HB   LEU  51          2HB       LEU  51  -1.584   0.657  -3.144
  360    HG   LEU  51           HG       LEU  51  -3.637   0.160  -0.966
  361   1HD1  LEU  51          1HD1      LEU  51  -2.386  -1.764  -1.089
  362   2HD1  LEU  51          2HD1      LEU  51  -1.003  -0.940  -1.848
  363   3HD1  LEU  51          3HD1      LEU  51  -1.260  -0.811  -0.092
  364   1HD2  LEU  51          1HD2      LEU  51  -2.778   2.337  -0.431
  365   2HD2  LEU  51          2HD2      LEU  51  -1.857   1.182   0.563
  366   3HD2  LEU  51          3HD2      LEU  51  -1.126   1.875  -0.905
  367    H    GLN  52           H        GLN  52  -1.425   4.104  -3.269
  368    HA   GLN  52           HA       GLN  52  -1.757   4.051  -6.228
  369   1HB   GLN  52          1HB       GLN  52  -1.224   6.230  -4.214
  370   2HB   GLN  52          2HB       GLN  52  -0.673   6.423  -5.896
  371   1HG   GLN  52          1HG       GLN  52  -3.234   5.479  -6.252
  372   2HG   GLN  52          2HG       GLN  52  -3.415   6.455  -4.778
  373   1HE2  GLN  52          1HE2      GLN  52  -1.888   6.595  -8.047
  374   2HE2  GLN  52          2HE2      GLN  52  -2.242   8.286  -8.327
  375    H    PHE  53           H        PHE  53  -0.158   2.876  -7.130
  376    HA   PHE  53           HA       PHE  53   2.616   3.500  -6.269
  377   1HB   PHE  53          1HB       PHE  53   3.201   1.138  -6.403
  378   2HB   PHE  53          2HB       PHE  53   1.929   1.393  -5.196
  379    HD1  PHE  53           1HD      PHE  53  -0.395   0.679  -5.651
  380    HD2  PHE  53           2HD      PHE  53   2.805  -0.157  -8.392
  381    HE1  PHE  53           1HE      PHE  53  -1.804  -1.024  -6.776
  382    HE2  PHE  53           2HE      PHE  53   1.396  -1.860  -9.517
  383    HZ   PHE  53           HZ       PHE  53  -0.909  -2.293  -8.709
  384    H    GLN  54           H        GLN  54   4.215   3.121  -7.934
  385    HA   GLN  54           HA       GLN  54   3.020   3.372 -10.639
  386   1HB   GLN  54          1HB       GLN  54   4.716   5.049  -9.499
  387   2HB   GLN  54          2HB       GLN  54   5.925   3.846 -10.007
  388   1HG   GLN  54          1HG       GLN  54   5.310   4.055 -12.307
  389   2HG   GLN  54          2HG       GLN  54   3.828   4.949 -11.905
  390   1HE2  GLN  54          1HE2      GLN  54   7.279   5.129 -12.444
  391   2HE2  GLN  54          2HE2      GLN  54   7.434   6.867 -12.294
  392    H    ARG  55           H        ARG  55   2.860   1.488 -11.706
  393    HA   ARG  55           HA       ARG  55   4.116  -0.911 -11.081
  394   1HB   ARG  55          1HB       ARG  55   2.305  -0.054 -12.953
  395   2HB   ARG  55          2HB       ARG  55   3.718  -0.415 -13.974
  396   1HG   ARG  55          1HG       ARG  55   3.874  -2.667 -13.020
  397   2HG   ARG  55          2HG       ARG  55   2.536  -2.312 -11.900
  398   1HD   ARG  55          1HD       ARG  55   1.561  -1.629 -14.454
  399   2HD   ARG  55          2HD       ARG  55   2.443  -3.153 -14.691
  400    HE   ARG  55           HE       ARG  55   0.630  -3.114 -12.389
  401   1HH1  ARG  55          1HH1      ARG  55  -1.518  -5.395 -14.009
  402   2HH1  ARG  55          2HH1      ARG  55  -1.134  -4.603 -12.498
  403   1HH2  ARG  55          1HH2      ARG  55  -0.256  -4.951 -15.906
  404   2HH2  ARG  55          2HH2      ARG  55   1.079  -3.823 -15.823
  405    H    ASN  56           H        ASN  56   5.035   1.071 -13.953
  406    HA   ASN  56           HA       ASN  56   7.781  -0.007 -13.683
  407   1HB   ASN  56          1HB       ASN  56   6.276   1.380 -15.924
  408   2HB   ASN  56          2HB       ASN  56   8.012   1.011 -15.997
  409   1HD2  ASN  56          1HD2      ASN  56   7.994  -0.537 -17.611
  410   2HD2  ASN  56          2HD2      ASN  56   7.178  -2.079 -17.461
  411    H    LEU  57           H        LEU  57   9.585   1.315 -13.483
  412    HA   LEU  57           HA       LEU  57   9.044   3.948 -12.321
  413   1HB   LEU  57          1HB       LEU  57  10.671   2.679 -11.158
  414   2HB   LEU  57          2HB       LEU  57  11.494   2.198 -12.661
  415    HG   LEU  57           HG       LEU  57  12.063   4.624 -13.045
  416   1HD1  LEU  57          1HD1      LEU  57  10.115   5.248 -11.348
  417   2HD1  LEU  57          2HD1      LEU  57  11.419   5.114 -10.144
  418   3HD1  LEU  57          3HD1      LEU  57  11.561   6.277 -11.484
  419   1HD2  LEU  57          1HD2      LEU  57  13.019   2.998 -10.705
  420   2HD2  LEU  57          2HD2      LEU  57  13.892   3.498 -12.174
  421   3HD2  LEU  57          3HD2      LEU  57  13.610   4.670 -10.863
  422    H    SER  58           H        SER  58  10.971   2.598 -15.056
  423    HA   SER  58           HA       SER  58  11.926   4.982 -16.119
  424   1HB   SER  58          1HB       SER  58  12.201   2.446 -16.821
  425   2HB   SER  58          2HB       SER  58  10.881   2.835 -17.950
  426    HG   SER  58           HG       SER  58  12.388   3.676 -19.125
  427    H    ASP  59           H        ASP  59   8.758   3.382 -16.697
  428    HA   ASP  59           HA       ASP  59   7.873   5.837 -18.119
  429   1HB   ASP  59          1HB       ASP  59   7.660   3.633 -19.277
  430   2HB   ASP  59          2HB       ASP  59   6.588   3.085 -17.970
  431    HA   PRO  60           HA       PRO  60   5.440   6.966 -14.628
  432   1HB   PRO  60          1HB       PRO  60   3.677   8.671 -15.815
  433   2HB   PRO  60          2HB       PRO  60   5.428   9.046 -15.707
  434   1HG   PRO  60          1HG       PRO  60   3.958   7.791 -18.043
  435   2HG   PRO  60          2HG       PRO  60   5.045   9.218 -18.081
  436   1HD   PRO  60          1HD       PRO  60   5.956   6.721 -18.683
  437   2HD   PRO  60          2HD       PRO  60   6.964   7.847 -17.725
  438    H    ARG  61           H        ARG  61   4.888   4.380 -15.591
  439    HA   ARG  61           HA       ARG  61   2.102   4.139 -16.333
  440   1HB   ARG  61          1HB       ARG  61   4.425   2.464 -16.143
  441   2HB   ARG  61          2HB       ARG  61   3.117   1.721 -15.191
  442   1HG   ARG  61          1HG       ARG  61   1.739   2.542 -17.413
  443   2HG   ARG  61          2HG       ARG  61   3.326   2.160 -18.123
  444   1HD   ARG  61          1HD       ARG  61   3.264  -0.064 -17.009
  445   2HD   ARG  61          2HD       ARG  61   1.653   0.319 -16.365
  446    HE   ARG  61           HE       ARG  61   1.403   0.701 -19.092
  447   1HH1  ARG  61          1HH1      ARG  61   0.930  -2.648 -20.091
  448   2HH1  ARG  61          2HH1      ARG  61   0.706  -0.969 -20.528
  449   1HH2  ARG  61          1HH2      ARG  61   1.928  -3.198 -18.069
  450   2HH2  ARG  61          2HH2      ARG  61   2.456  -1.933 -16.982
  451    H    LEU  62           H        LEU  62   1.028   5.387 -14.695
  452    HA   LEU  62           HA       LEU  62   1.297   4.633 -11.905
  453   1HB   LEU  62          1HB       LEU  62   0.149   6.766 -13.444
  454   2HB   LEU  62          2HB       LEU  62  -1.123   6.075 -12.407
  455    HG   LEU  62           HG       LEU  62   0.455   7.950 -11.443
  456   1HD1  LEU  62          1HD1      LEU  62  -0.078   7.186  -9.307
  457   2HD1  LEU  62          2HD1      LEU  62  -1.205   6.227 -10.296
  458   3HD1  LEU  62          3HD1      LEU  62   0.305   5.494  -9.704
  459   1HD2  LEU  62          1HD2      LEU  62   2.594   7.361 -10.821
  460   2HD2  LEU  62          2HD2      LEU  62   2.168   5.648 -10.590
  461   3HD2  LEU  62          3HD2      LEU  62   2.430   6.286 -12.231
  462    H    GLU  63           H        GLU  63   0.009   3.292 -10.702
  463    HA   GLU  63           HA       GLU  63  -2.327   2.067 -12.071
  464   1HB   GLU  63          1HB       GLU  63  -0.133   0.579 -10.575
  465   2HB   GLU  63          2HB       GLU  63  -1.627  -0.145 -11.217
  466   1HG   GLU  63          1HG       GLU  63   0.508   1.283 -12.856
  467   2HG   GLU  63          2HG       GLU  63   0.274  -0.477 -12.768
  468    H    THR  64           H        THR  64  -4.087   1.788 -10.771
  469    HA   THR  64           HA       THR  64  -3.691   2.414  -7.881
  470    HB   THR  64           HB       THR  64  -6.185   3.159  -8.136
  471    HG1  THR  64           1HG      THR  64  -6.428   4.037 -10.319
  472   1HG2  THR  64          1HG2      THR  64  -4.968   5.018  -7.669
  473   2HG2  THR  64          2HG2      THR  64  -3.619   4.498  -8.708
  474   3HG2  THR  64          3HG2      THR  64  -5.023   5.327  -9.421
  475    H    ILE  65           H        ILE  65  -4.706   1.112  -6.382
  476    HA   ILE  65           HA       ILE  65  -6.413  -1.080  -7.421
  477    HB   ILE  65           HB       ILE  65  -3.929  -1.739  -7.144
  478   1HG1  ILE  65          1HG1      ILE  65  -6.110  -3.184  -5.577
  479   2HG1  ILE  65          2HG1      ILE  65  -5.769  -3.369  -7.315
  480   1HG2  ILE  65          1HG2      ILE  65  -4.268  -0.484  -4.692
  481   2HG2  ILE  65          2HG2      ILE  65  -4.407  -2.208  -4.272
  482   3HG2  ILE  65          3HG2      ILE  65  -2.950  -1.608  -5.100
  483   1HD1  ILE  65          1HD1      ILE  65  -3.380  -3.719  -5.629
  484   2HD1  ILE  65          2HD1      ILE  65  -4.661  -4.902  -5.273
  485   3HD1  ILE  65          3HD1      ILE  65  -4.017  -4.757  -6.927
  486    H    THR  66           H        THR  66  -8.187  -1.398  -6.184
  487    HA   THR  66           HA       THR  66  -8.295   0.079  -3.610
  488    HB   THR  66           HB       THR  66 -10.448  -0.969  -5.484
  489    HG1  THR  66           1HG      THR  66  -9.939   0.921  -6.274
  490   1HG2  THR  66          1HG2      THR  66 -12.032  -0.580  -3.885
  491   2HG2  THR  66          2HG2      THR  66 -10.681  -0.840  -2.757
  492   3HG2  THR  66          3HG2      THR  66 -11.152   0.814  -3.214
  493    H    LEU  67           H        LEU  67  -8.165  -1.038  -1.763
  494    HA   LEU  67           HA       LEU  67  -8.477  -3.978  -1.886
  495   1HB   LEU  67          1HB       LEU  67  -7.533  -2.328   0.474
  496   2HB   LEU  67          2HB       LEU  67  -7.202  -4.039   0.109
  497    HG   LEU  67           HG       LEU  67  -6.312  -1.800  -1.739
  498   1HD1  LEU  67          1HD1      LEU  67  -4.309  -1.540  -0.575
  499   2HD1  LEU  67          2HD1      LEU  67  -5.455  -1.755   0.770
  500   3HD1  LEU  67          3HD1      LEU  67  -4.451  -3.122   0.229
  501   1HD2  LEU  67          1HD2      LEU  67  -5.591  -4.723  -1.313
  502   2HD2  LEU  67          2HD2      LEU  67  -6.261  -3.961  -2.775
  503   3HD2  LEU  67          3HD2      LEU  67  -4.586  -3.618  -2.280
  504    H    GLN  68           H        GLN  68 -10.280  -4.948  -1.173
  505    HA   GLN  68           HA       GLN  68 -12.348  -3.317   0.105
  506   1HB   GLN  68          1HB       GLN  68 -12.308  -6.260  -0.671
  507   2HB   GLN  68          2HB       GLN  68 -13.739  -5.313  -0.200
  508   1HG   GLN  68          1HG       GLN  68 -11.961  -4.437  -2.490
  509   2HG   GLN  68          2HG       GLN  68 -13.253  -5.633  -2.738
  510   1HE2  GLN  68          1HE2      GLN  68 -12.559  -2.306  -1.615
  511   2HE2  GLN  68          2HE2      GLN  68 -14.155  -1.666  -1.941
  512    H    LYS  69           H        LYS  69 -13.642  -4.770   1.869
  513    HA   LYS  69           HA       LYS  69 -12.096  -4.657   4.216
  514   1HB   LYS  69          1HB       LYS  69 -14.514  -6.443   3.796
  515   2HB   LYS  69          2HB       LYS  69 -13.986  -5.639   5.294
  516   1HG   LYS  69          1HG       LYS  69 -15.216  -3.830   4.755
  517   2HG   LYS  69          2HG       LYS  69 -14.268  -3.632   3.261
  518   1HD   LYS  69          1HD       LYS  69 -15.789  -5.538   2.320
  519   2HD   LYS  69          2HD       LYS  69 -16.861  -5.138   3.683
  520   1HE   LYS  69          1HE       LYS  69 -16.663  -2.691   2.902
  521   2HE   LYS  69          2HE       LYS  69 -15.961  -3.345   1.406
  522   1HZ   LYS  69          1HZ       LYS  69 -18.628  -3.880   2.497
  523   2HZ   LYS  69          2HZ       LYS  69 -18.253  -3.088   1.100
  524   3HZ   LYS  69          3HZ       LYS  69 -17.977  -4.709   1.229
  525    H    TRP  70           H        TRP  70 -10.641  -5.992   5.131
  526    HA   TRP  70           HA       TRP  70  -9.291  -7.814   5.437
  527   1HB   TRP  70          1HB       TRP  70 -11.661  -9.414   4.439
  528   2HB   TRP  70          2HB       TRP  70 -10.341  -9.980   5.471
  529    HD1  TRP  70           HD       TRP  70 -13.787  -8.845   5.652
  530    HE1  TRP  70           1HE      TRP  70 -14.493  -8.231   8.021
  531    HE3  TRP  70           3HE      TRP  70  -9.164  -8.617   7.839
  532    HZ2  TRP  70           2HZ      TRP  70 -13.215  -7.702  10.564
  533    HZ3  TRP  70           3HZ      TRP  70  -8.949  -8.056  10.232
  534    HH2  TRP  70           HH       TRP  70 -10.959  -7.597  11.605
  535    H    GLY  71           H        GLY  71  -9.373  -6.425   2.815
  536   1HA   GLY  71          1HA       GLY  71  -8.942  -8.560   0.848
  537   2HA   GLY  71          2HA       GLY  71  -8.845  -6.807   0.571
  538    H    SER  72           H        SER  72  -6.935  -8.870  -0.277
  539    HA   SER  72           HA       SER  72  -4.543  -7.741   1.064
  540   1HB   SER  72          1HB       SER  72  -4.186 -10.537   0.304
  541   2HB   SER  72          2HB       SER  72  -3.842  -9.729   1.852
  542    HG   SER  72           HG       SER  72  -6.172  -9.833   2.204
  543    H    TRP  73           H        TRP  73  -2.574  -7.971  -0.263
  544    HA   TRP  73           HA       TRP  73  -3.209  -8.329  -3.151
  545   1HB   TRP  73          1HB       TRP  73  -3.043  -5.917  -2.356
  546   2HB   TRP  73          2HB       TRP  73  -1.339  -6.241  -2.009
  547    HD1  TRP  73           HD       TRP  73  -2.867  -7.762  -5.123
  548    HE1  TRP  73           1HE      TRP  73  -1.907  -6.661  -7.210
  549    HE3  TRP  73           3HE      TRP  73  -0.305  -3.925  -2.907
  550    HZ2  TRP  73           2HZ      TRP  73  -0.230  -4.391  -7.852
  551    HZ3  TRP  73           3HZ      TRP  73   0.960  -2.316  -4.286
  552    HH2  TRP  73           HH       TRP  73   1.008  -2.535  -6.754
  553    H    ASN  74           H        ASN  74  -1.692  -9.423  -4.347
  554    HA   ASN  74           HA       ASN  74   0.949  -9.952  -3.170
  555   1HB   ASN  74          1HB       ASN  74   0.672 -12.403  -3.437
  556   2HB   ASN  74          2HB       ASN  74  -0.419 -11.729  -2.206
  557   1HD2  ASN  74          1HD2      ASN  74  -1.196 -14.116  -3.046
  558   2HD2  ASN  74          2HD2      ASN  74  -2.514 -14.026  -4.194
  559    HA   PRO  75           HA       PRO  75   0.783  -9.401  -7.776
  560   1HB   PRO  75          1HB       PRO  75   2.616  -7.392  -7.940
  561   2HB   PRO  75          2HB       PRO  75   0.913  -7.082  -7.472
  562   1HG   PRO  75          1HG       PRO  75   3.282  -7.486  -5.624
  563   2HG   PRO  75          2HG       PRO  75   2.105  -6.132  -5.605
  564   1HD   PRO  75          1HD       PRO  75   1.812  -8.294  -3.970
  565   2HD   PRO  75          2HD       PRO  75   0.386  -7.551  -4.757
  566    H    GLY  76           H        GLY  76   3.978  -8.371  -6.635
  567   1HA   GLY  76          1HA       GLY  76   5.378 -10.716  -6.351
  568   2HA   GLY  76          2HA       GLY  76   5.246 -10.522  -8.114
  569    H    HIS  77           H        HIS  77   5.969  -8.506  -5.203
  570    HA   HIS  77           HA       HIS  77   7.650  -7.003  -4.806
  571   1HB   HIS  77          1HB       HIS  77   9.131  -8.836  -5.519
  572   2HB   HIS  77          2HB       HIS  77   8.942  -8.338  -7.211
  573    HD1  HIS  77           1HD      HIS  77   9.480  -5.294  -7.101
  574    HD2  HIS  77           2HD      HIS  77  11.545  -8.185  -4.825
  575    HE1  HIS  77           1HE      HIS  77  11.733  -4.243  -6.449
  576    HE2  HIS  77           2HE      HIS  77  12.978  -6.008  -5.068
  577    H    ILE  78           H        ILE  78   6.559  -5.103  -5.198
  578    HA   ILE  78           HA       ILE  78   6.312  -4.162  -7.981
  579    HB   ILE  78           HB       ILE  78   5.379  -2.918  -5.365
  580   1HG1  ILE  78          1HG1      ILE  78   4.494  -5.283  -6.304
  581   2HG1  ILE  78          2HG1      ILE  78   3.401  -4.089  -5.562
  582   1HG2  ILE  78          1HG2      ILE  78   5.243  -1.151  -6.836
  583   2HG2  ILE  78          2HG2      ILE  78   5.192  -2.208  -8.266
  584   3HG2  ILE  78          3HG2      ILE  78   3.728  -1.971  -7.283
  585   1HD1  ILE  78          1HD1      ILE  78   3.942  -3.734  -8.473
  586   2HD1  ILE  78          2HD1      ILE  78   2.986  -5.168  -8.027
  587   3HD1  ILE  78          3HD1      ILE  78   2.425  -3.543  -7.563
  588    H    HIS  79           H        HIS  79   7.215  -2.191  -8.714
  589    HA   HIS  79           HA       HIS  79   9.857  -1.684  -8.093
  590   1HB   HIS  79          1HB       HIS  79   8.969  -0.751 -10.069
  591   2HB   HIS  79          2HB       HIS  79   7.650   0.057  -9.202
  592    HD1  HIS  79           1HD      HIS  79  11.478   0.304  -8.549
  593    HD2  HIS  79           2HD      HIS  79   8.077   2.602  -9.528
  594    HE1  HIS  79           1HE      HIS  79  12.233   2.760  -8.569
  595    HE2  HIS  79           2HE      HIS  79  10.159   4.146  -9.165
  596    H    GLU  80           H        GLU  80   7.391   0.789  -7.259
  597    HA   GLU  80           HA       GLU  80   8.153   0.784  -4.454
  598   1HB   GLU  80          1HB       GLU  80  10.071   1.974  -5.499
  599   2HB   GLU  80          2HB       GLU  80   8.935   3.145  -6.209
  600   1HG   GLU  80          1HG       GLU  80   8.171   3.101  -3.546
  601   2HG   GLU  80          2HG       GLU  80   9.936   2.919  -3.442
  602    H    ILE  81           H        ILE  81   6.738   2.044  -3.181
  603    HA   ILE  81           HA       ILE  81   4.179   2.576  -4.473
  604    HB   ILE  81           HB       ILE  81   5.182   2.792  -1.611
  605   1HG1  ILE  81          1HG1      ILE  81   4.921   0.509  -2.663
  606   2HG1  ILE  81          2HG1      ILE  81   3.850   0.791  -1.269
  607   1HG2  ILE  81          1HG2      ILE  81   3.373   4.446  -2.111
  608   2HG2  ILE  81          2HG2      ILE  81   2.353   3.112  -2.701
  609   3HG2  ILE  81          3HG2      ILE  81   2.840   3.170  -0.990
  610   1HD1  ILE  81          1HD1      ILE  81   2.580   1.715  -3.713
  611   2HD1  ILE  81          2HD1      ILE  81   3.093   0.019  -3.889
  612   3HD1  ILE  81          3HD1      ILE  81   2.018   0.490  -2.550
  613    H    LEU  82           H        LEU  82   3.258   4.549  -4.885
  614    HA   LEU  82           HA       LEU  82   5.081   6.855  -4.798
  615   1HB   LEU  82          1HB       LEU  82   2.265   6.626  -5.925
  616   2HB   LEU  82          2HB       LEU  82   3.456   7.907  -6.255
  617    HG   LEU  82           HG       LEU  82   3.550   4.986  -7.083
  618   1HD1  LEU  82          1HD1      LEU  82   4.346   6.689  -9.159
  619   2HD1  LEU  82          2HD1      LEU  82   2.742   5.941  -8.968
  620   3HD1  LEU  82          3HD1      LEU  82   3.039   7.583  -8.346
  621   1HD2  LEU  82          1HD2      LEU  82   5.860   6.008  -8.075
  622   2HD2  LEU  82          2HD2      LEU  82   5.761   6.924  -6.552
  623   3HD2  LEU  82          3HD2      LEU  82   5.771   5.144  -6.521
  624    H    SER  83           H        SER  83   1.610   6.286  -3.960
  625    HA   SER  83           HA       SER  83   2.034   7.781  -1.451
  626   1HB   SER  83          1HB       SER  83   1.349   9.368  -3.358
  627   2HB   SER  83          2HB       SER  83  -0.221   8.529  -3.333
  628    HG   SER  83           HG       SER  83   0.957  10.197  -1.436
  629    H    ILE  84           H        ILE  84  -0.094   7.737  -0.141
  630    HA   ILE  84           HA       ILE  84  -1.609   5.245  -0.715
  631    HB   ILE  84           HB       ILE  84  -0.120   6.020   1.805
  632   1HG1  ILE  84          1HG1      ILE  84  -0.387   3.429   0.220
  633   2HG1  ILE  84          2HG1      ILE  84   0.981   4.562   0.113
  634   1HG2  ILE  84          1HG2      ILE  84  -2.539   5.529   2.323
  635   2HG2  ILE  84          2HG2      ILE  84  -2.328   3.934   1.563
  636   3HG2  ILE  84          3HG2      ILE  84  -1.403   4.352   3.025
  637   1HD1  ILE  84          1HD1      ILE  84   1.330   4.261   2.595
  638   2HD1  ILE  84          2HD1      ILE  84   0.080   2.994   2.565
  639   3HD1  ILE  84          3HD1      ILE  84   1.590   2.777   1.647
  640    H    ARG  85           H        ARG  85  -3.758   5.550  -0.593
  641    HA   ARG  85           HA       ARG  85  -4.710   7.955   0.893
  642   1HB   ARG  85          1HB       ARG  85  -5.017   8.360  -1.449
  643   2HB   ARG  85          2HB       ARG  85  -5.644   6.716  -1.718
  644   1HG   ARG  85          1HG       ARG  85  -7.579   7.243  -0.229
  645   2HG   ARG  85          2HG       ARG  85  -6.968   8.906  -0.061
  646   1HD   ARG  85          1HD       ARG  85  -6.956   8.772  -2.734
  647   2HD   ARG  85          2HD       ARG  85  -8.206   7.546  -2.434
  648    HE   ARG  85           HE       ARG  85  -9.074   9.582  -0.875
  649   1HH1  ARG  85          1HH1      ARG  85 -10.307  11.882  -3.248
  650   2HH1  ARG  85          2HH1      ARG  85 -10.379  11.353  -1.582
  651   1HH2  ARG  85          1HH2      ARG  85  -8.902  10.806  -4.748
  652   2HH2  ARG  85          2HH2      ARG  85  -7.914   9.465  -4.213
  653    H    ILE  86           H        ILE  86  -6.176   7.601   2.467
  654    HA   ILE  86           HA       ILE  86  -7.377   4.875   2.604
  655    HB   ILE  86           HB       ILE  86  -6.790   6.797   4.887
  656   1HG1  ILE  86          1HG1      ILE  86  -5.258   4.350   3.906
  657   2HG1  ILE  86          2HG1      ILE  86  -4.699   6.038   3.820
  658   1HG2  ILE  86          1HG2      ILE  86  -7.933   5.326   6.158
  659   2HG2  ILE  86          2HG2      ILE  86  -8.445   4.508   4.662
  660   3HG2  ILE  86          3HG2      ILE  86  -6.979   3.967   5.515
  661   1HD1  ILE  86          1HD1      ILE  86  -4.097   4.358   5.881
  662   2HD1  ILE  86          2HD1      ILE  86  -4.205   6.126   6.055
  663   3HD1  ILE  86          3HD1      ILE  86  -5.588   5.101   6.505
  664    H    TYR  87           H        TYR  87  -9.568   4.703   2.764
  665    HA   TYR  87           HA       TYR  87 -11.107   7.160   2.348
  666   1HB   TYR  87          1HB       TYR  87 -11.775   4.205   2.400
  667   2HB   TYR  87          2HB       TYR  87 -13.007   5.465   2.216
  668    HD1  TYR  87           1HD      TYR  87 -13.728   5.772   0.048
  669    HD2  TYR  87           2HD      TYR  87  -9.616   4.743   0.742
  670    HE1  TYR  87           1HE      TYR  87 -13.300   5.834  -2.394
  671    HE2  TYR  87           2HE      TYR  87  -9.188   4.805  -1.700
  672    HH   TYR  87           HH       TYR  87 -10.093   5.080  -3.780