*HEADER    TOXIN                                   31-OCT-18   6MY2              
*TITLE     SOLUTION STRUCTURE OF GOMESIN AT 298 K                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GOMESIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ACANTHOSCURRIA GOMESIANA;                       
*SOURCE   4 ORGANISM_TAXID: 115339                                               
*KEYWDS    SPIDER VENOM PEPTIDES; BETA HAIRPIN MOTIF, TOXIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.K.-Y.CHIN,E.DEPLAZES                                                
*REVDAT   1   06-NOV-19 6MY2    0                                                
# Restraints file 1: gms298.aco
   2 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   2 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   2 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   2 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   2 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   2 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   3 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   3 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   3 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   3 ARG   PSI      25.0    55.0 5.00E-01 type=2
   3 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   3 ARG   PSI     105.0   185.0 5.00E-01 type=2
   4 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   4 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   4 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   4 ARG   PSI      25.0    55.0 5.00E-01 type=2
   4 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   4 ARG   PSI     105.0   185.0 5.00E-01 type=2
   5 LEU   PHI    -175.0    75.0 5.00E-01 type=2
   5 LEU   PSI     -75.0   185.0 5.00E-01 type=2
   5 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   5 LEU   PSI      25.0    55.0 5.00E-01 type=2
   5 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
   5 LEU   PSI     105.0   185.0 5.00E-01 type=2
   6 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   6 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   6 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   6 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   6 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   6 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   7 TYR   PHI    -175.0    75.0 5.00E-01 type=2
   7 TYR   PSI     -75.0   185.0 5.00E-01 type=2
   7 TYR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   7 TYR   PSI      25.0    55.0 5.00E-01 type=2
   7 TYR   PHI    -135.0    75.0 5.00E-01 type=2 OR
   7 TYR   PSI     105.0   185.0 5.00E-01 type=2
   8 LYS   PHI    -175.0    75.0 5.00E-01 type=2
   8 LYS   PSI     -75.0   185.0 5.00E-01 type=2
   8 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   8 LYS   PSI      25.0    55.0 5.00E-01 type=2
   8 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   8 LYS   PSI     105.0   185.0 5.00E-01 type=2
   9 GLN   PHI    -175.0    75.0 5.00E-01 type=2
   9 GLN   PSI     -75.0   185.0 5.00E-01 type=2
   9 GLN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   9 GLN   PSI      25.0    55.0 5.00E-01 type=2
   9 GLN   PHI    -135.0    75.0 5.00E-01 type=2 OR
   9 GLN   PSI     105.0   185.0 5.00E-01 type=2
  10 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  10 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  10 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  10 ARG   PSI      25.0    55.0 5.00E-01 type=2
  10 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  10 ARG   PSI     105.0   185.0 5.00E-01 type=2
  11 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  11 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  11 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  11 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  11 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  11 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  12 VAL   PHI    -175.0    75.0 5.00E-01 type=2
  12 VAL   PSI     -75.0   185.0 5.00E-01 type=2
  12 VAL   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  12 VAL   PSI      25.0    55.0 5.00E-01 type=2
  12 VAL   PHI    -135.0    75.0 5.00E-01 type=2 OR
  12 VAL   PSI     105.0   185.0 5.00E-01 type=2
  13 THR   PHI    -175.0    75.0 5.00E-01 type=2
  13 THR   PSI     -75.0   185.0 5.00E-01 type=2
  13 THR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  13 THR   PSI      25.0    55.0 5.00E-01 type=2
  13 THR   PHI    -135.0    75.0 5.00E-01 type=2 OR
  13 THR   PSI     105.0   185.0 5.00E-01 type=2
  14 TYR   PHI    -175.0    75.0 5.00E-01 type=2
  14 TYR   PSI     -75.0   185.0 5.00E-01 type=2
  14 TYR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  14 TYR   PSI      25.0    55.0 5.00E-01 type=2
  14 TYR   PHI    -135.0    75.0 5.00E-01 type=2 OR
  14 TYR   PSI     105.0   185.0 5.00E-01 type=2
  15 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  15 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  15 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  15 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  15 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  15 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  16 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  16 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  16 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  16 ARG   PSI      25.0    55.0 5.00E-01 type=2
  16 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  16 ARG   PSI     105.0   185.0 5.00E-01 type=2
  18 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  18 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  18 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  18 ARG   PSI      25.0    55.0 5.00E-01 type=2
  18 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  18 ARG   PSI     105.0   185.0 5.00E-01 type=2
   2 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   2 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   2 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   3 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   3 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   3 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   3 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   3 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   3 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   3 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   3 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   3 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   5 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
   5 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
   5 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
   5 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
   5 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
   5 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
   6 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   6 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   6 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   7 TYR   CHI1    -90.0   210.0 2.00E-01 type=2
   7 TYR   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 TYR   CHI1   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
   8 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
   8 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
   8 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
   9 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
   9 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
   9 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
   9 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
   9 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
   9 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
  10 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  10 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  10 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  10 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  10 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  10 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  10 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  10 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  10 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  11 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  11 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  11 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  12 VAL   CHI1    -90.0   210.0 2.00E-01 type=2
  12 VAL   CHI1   -330.0   -30.0 2.00E-01 type=2
  12 VAL   CHI1   -210.0    90.0 2.00E-01 type=2
  13 THR   CHI1    -90.0   210.0 2.00E-01 type=2
  13 THR   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 THR   CHI1   -210.0    90.0 2.00E-01 type=2
  14 TYR   CHI1    -90.0   210.0 2.00E-01 type=2
  14 TYR   CHI1   -330.0   -30.0 2.00E-01 type=2
  14 TYR   CHI1   -210.0    90.0 2.00E-01 type=2
  15 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  15 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  15 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  18 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  18 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  18 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  18 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  18 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  18 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  18 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  18 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  18 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
# Restraints file 2: gms298.upl
  6 CYSS HA      7 TYR  H       2.73            #peak 1 #SUP 0.87 #QF 0.87
 12 VAL  H      12 VAL  QG1     3.66            #peak 3 #SUP 0.94 #QF 0.94
 12 VAL  H      12 VAL  QG2     4.25            #peak 4 #SUP 0.98 #QF 0.98
  3 ARG  H      13 THR  QG2     4.05            #peak 5 #SUP 0.96 #QF 0.96
  8 LYS  H       8 LYS  HG3     4.02            #peak 6 #SUP 0.99 #QF 0.99
  8 LYS  H       8 LYS  HG2     4.02            #peak 7 #SUP 0.97 #QF 0.97
 13 THR  QG2    14 TYR  H       3.50            #peak 8 #SUP 0.97 #QF 0.97
  5 LEU  H       5 LEU  QB      3.23            #peak 9 #SUP 0.96 #QF 0.96
  8 LYS  H       8 LYS  QB      3.58            #peak 11 #SUP 1.00
  3 ARG  H       3 ARG  QB      3.59            #peak 12 #SUP 0.93 #QF 0.93
  3 ARG  H       3 ARG  HG3     4.20            #peak 13 #SUP 0.90 #QF 0.90
 11 CYSS HB3    12 VAL  H       3.62            #peak 15 #SUP 0.95 #QF 0.95
  2 CYSS HB2     3 ARG  H       3.90            #peak 16 #SUP 0.96 #QF 0.96
 14 TYR  H      14 TYR  HB2     3.71            #peak 17 #SUP 0.98 #QF 0.98
 14 TYR  H      14 TYR  HB3     3.71            #peak 18 #SUP 0.98 #QF 0.98
  7 TYR  QB      8 LYS  H       3.51            #peak 19 #SUP 0.99 #QF 0.99
  2 CYSS HB3     3 ARG  H       3.90            #peak 20 #SUP 0.96 #QF 0.96
  8 LYS  H       8 LYS  HA      2.82            #peak 23 #SUP 0.97 #QF 0.97
  4 ARG  HA      5 LEU  H       2.70            #peak 24 #SUP 0.51 #QF 0.51
  7 TYR  HA      8 LYS  H       2.82            #peak 25 #SUP 0.77 #QF 0.77
 11 CYSS HA     12 VAL  H       2.70            #peak 28 #SUP 0.87 #QF 0.87
  2 CYSS HA      3 ARG  H       2.64            #peak 29 #SUP 0.87 #QF 0.87
  3 ARG  H      15 CYSS HA      3.92            #peak 30 #SUP 0.94 #QF 0.94
 13 THR  H      14 TYR  H       4.59            #peak 31 #SUP 0.96 #QF 0.96
  8 LYS  H       9 GLN  H       3.81            #peak 32 #SUP 0.99 #QF 0.99
 15 CYSS H      16 ARG  H       4.53            #peak 33 #SUP 0.97 #QF 0.97
  5 LEU  H       5 LEU  QD1     5.23            #peak 41 #SUP 0.95 #QF 0.95
  3 ARG  H       3 ARG  QD      4.79            #peak 43 #SUP 0.94 #QF 0.94
  3 ARG  H       3 ARG  HG2     4.20            #peak 45 #SUP 0.78 #QF 0.78
  5 LEU  QB      6 CYSS H       3.78            #peak 47 #SUP 0.97 #QF 0.97
 10 ARG  HB3    11 CYSS H       4.53            #peak 49 #SUP 0.98 #QF 0.98
 10 ARG  HB2    11 CYSS H       4.53            #peak 50 #SUP 0.99 #QF 0.99
 11 CYSS H      11 CYSS HB3     3.93            #peak 51 #SUP 0.99 #QF 0.99
  6 CYSS H       6 CYSS HB2     3.19            #peak 52 #SUP 0.82 #QF 0.82
 15 CYSS H      15 CYSS QB      3.02            #peak 53 #SUP 0.97 #QF 0.97
 11 CYSS H      11 CYSS HB2     3.30            #peak 55 #SUP 0.85 #QF 0.85
  5 LEU  HA      6 CYSS H       2.90            #peak 56 #SUP 0.69 #QF 0.69
 10 ARG  HA     11 CYSS H       2.75            #peak 57 #SUP 0.61 #QF 0.61
  7 TYR  H       7 TYR  QB      3.15            #peak 62 #SUP 0.97 #QF 0.97
  6 CYSS HB3     7 TYR  H       3.70            #peak 63 #SUP 0.94 #QF 0.94
  4 ARG  H       4 ARG  HB2     3.31            #peak 66 #SUP 0.79 #QF 0.79
  4 ARG  H       4 ARG  HB3     3.31            #peak 67 #SUP 0.92 #QF 0.92
  4 ARG  H       4 ARG  HG2     5.29            #peak 68 #SUP 1.00 #QF 0.80
  4 ARG  H       4 ARG  HG3     5.29            #peak 68 #SUP 1.00 #QF 0.80
  3 ARG  QB      4 ARG  H       3.50            #peak 69 #SUP 0.51 #QF 0.51
  7 TYR  H      11 CYSS HA      3.67            #peak 71 #SUP 0.83 #QF 0.83
  3 ARG  HA      4 ARG  H       2.69            #peak 73 #SUP 0.61 #QF 0.61
 10 ARG  H      11 CYSS H       4.61            #peak 78 #SUP 0.99 #QF 0.99
  7 TYR  H      10 ARG  H       3.61            #peak 80 #SUP 0.98 #QF 0.98
 16 ARG  H      17 GLY  H       4.78            #peak 81 #SUP 0.93 #QF 0.93
  9 GLN  H      10 ARG  H       3.18            #peak 82 #SUP 0.97 #QF 0.97
 12 VAL  QG1    13 THR  H       4.07            #peak 84 #SUP 1.00
 16 ARG  HB3    17 GLY  H       4.36            #peak 86 #SUP 0.93 #QF 0.93
 16 ARG  HB2    17 GLY  H       4.36            #peak 87 #SUP 0.98 #QF 0.98
 12 VAL  HB     13 THR  H       3.45            #peak 89 #SUP 0.98 #QF 0.98
 15 CYSS QB     17 GLY  H       5.10            #peak 91 #SUP 0.99 #QF 0.99
 13 THR  H      13 THR  HB      2.96            #peak 93 #SUP 0.93 #QF 0.93
 12 VAL  HA     13 THR  H       2.64            #peak 94 #SUP 0.75 #QF 0.75
 16 ARG  HA     17 GLY  H       3.02            #peak 95 #SUP 0.87 #QF 0.87
  7 TYR  HA      9 GLN  H       4.38            #peak 96 #SUP 0.82 #QF 0.82
  8 LYS  HA      9 GLN  H       3.50            #peak 99 #SUP 0.99 #QF 0.99
 16 ARG  H      16 ARG  HG3     3.88            #peak 104 #SUP 0.98 #QF 0.94
 15 CYSS QB     16 ARG  H       3.46            #peak 107 #SUP 0.97 #QF 0.97
  2 CYSS HA     16 ARG  H       4.06            #peak 110 #SUP 0.96 #QF 0.96
 15 CYSS HA     16 ARG  H       2.79            #peak 111 #SUP 0.86 #QF 0.86
  7 TYR  QB     10 ARG  H       4.54            #peak 114 #SUP 0.97 #QF 0.97
  9 GLN  HB2    10 ARG  H       4.81            #peak 116 #SUP 0.94 #QF 0.94
 10 ARG  H      10 ARG  HB3     3.53            #peak 117 #SUP 0.97 #QF 0.97
 10 ARG  H      10 ARG  HB2     3.53            #peak 118 #SUP 0.97 #QF 0.97
  8 LYS  QB     10 ARG  H       4.10            #peak 119 #SUP 0.97 #QF 0.97
 12 VAL  HB     14 TYR  QE      4.15            #peak 130 #SUP 0.94 #QF 0.94
  5 LEU  QB     14 TYR  QD      3.99            #peak 136 #SUP 0.98 #QF 0.98
  7 TYR  QD      8 LYS  QB      4.27            #peak 138 #SUP 0.94 #QF 0.94
  7 TYR  HA      7 TYR  QD      3.41            #peak 144 #SUP 0.88 #QF 0.88
 14 TYR  H      14 TYR  QD      3.78            #peak 145 #SUP 0.90 #QF 0.90
  7 TYR  QD      8 LYS  H       4.13            #peak 146 #SUP 0.99 #QF 0.99
 14 TYR  QD     15 CYSS H       4.26            #peak 147 #SUP 0.97 #QF 0.97
  7 TYR  H       7 TYR  QD      4.31            #peak 148 #SUP 0.97 #QF 0.97
  3 ARG  QB      3 ARG  QD      3.86            #peak 159 #SUP 0.82 #QF 0.67
  4 ARG  HB2     4 ARG  QD      4.03            #peak 161 #SUP 0.98 #QF 0.98
  4 ARG  HB3     4 ARG  QD      4.03            #peak 163 #SUP 0.96 #QF 0.96
  8 LYS  HA      8 LYS  HG3     4.20            #peak 168 #SUP 0.94 #QF 0.94
  2 CYSS HA     15 CYSS HA      3.08            #peak 175 #SUP 0.80 #QF 0.80
 17 GLY  H      17 GLY  QA      2.91            #peak 179 #SUP 0.92 #QF 0.92
 17 GLY  QA     18 ARG  H       3.49            #peak 180 #SUP 0.99 #QF 0.99
  7 TYR  HA      7 TYR  QB      2.96            #peak 190 #SUP 0.94 #QF 0.94
 15 CYSS HA     15 CYSS QB      2.99            #peak 192 #SUP 0.97 #QF 0.97
  2 CYSS HA     15 CYSS QB      3.89            #peak 193 #SUP 0.92 #QF 0.92
  4 ARG  HA      4 ARG  QD      4.19            #peak 194 #SUP 0.89 #QF 0.89
  7 TYR  QB      9 GLN  H       5.05            #peak 199 #SUP 1.00
 11 CYSS HB2    12 VAL  H       4.16            #peak 203 #SUP 0.99 #QF 0.99
  4 ARG  HG2    11 CYSS HB3     4.67            #peak 212 #SUP 0.67 #QF 0.34
  4 ARG  HG3    11 CYSS HB3     4.67            #peak 212 #SUP 0.67 #QF 0.34
  6 CYSS HA     11 CYSS HB3     4.42            #peak 218 #SUP 0.67 #QF 0.67
  6 CYSS HB3    11 CYSS HA      4.53            #peak 219 #SUP 0.94 #QF 0.94
  6 CYSS H       6 CYSS HB3     3.92            #peak 223 #SUP 0.95 #QF 0.95
 12 VAL  H      12 VAL  HB      4.04            #peak 227 #SUP 0.96 #QF 0.96
  9 GLN  H       9 GLN  QG      3.36            #peak 230 #SUP 0.94 #QF 0.94
  9 GLN  HB3    10 ARG  H       4.81            #peak 232 #SUP 0.99 #QF 0.94
  9 GLN  QG     10 ARG  H       5.15            #peak 232 #SUP 0.99 #QF 0.94
 16 ARG  H      16 ARG  HG2     3.88            #peak 235 #SUP 0.93 #QF 0.93
  8 LYS  QB      9 GLN  H       3.90            #peak 239 #SUP 0.95 #QF 0.95
  5 LEU  H       5 LEU  HG      4.72            #peak 243 #SUP 0.96 #QF 0.96
  4 ARG  HG2     5 LEU  H       4.61            #peak 244 #SUP 0.93 #QF 0.60
  4 ARG  HG3     5 LEU  H       4.61            #peak 244 #SUP 0.93 #QF 0.60
  5 LEU  QB     12 VAL  H       4.42            #peak 245 #SUP 0.83 #QF 0.83
 13 THR  H      13 THR  QG2     4.06            #peak 248 #SUP 0.97 #QF 0.97
 12 VAL  QG2    13 THR  H       3.99            #peak 250 #SUP 0.94 #QF 0.94
  5 LEU  H       5 LEU  QD2     5.23            #peak 252 #SUP 0.96 #QF 0.71
  7 TYR  H      12 VAL  QG1     5.36            #peak 259 #SUP 0.69 #QF 0.69
 12 VAL  QG2    14 TYR  QD      4.64            #peak 265 #SUP 0.82 #QF 0.82
 12 VAL  QG1    14 TYR  QE      5.04            #peak 266 #SUP 0.78 #QF 0.50
  5 LEU  QD1    14 TYR  QE      5.23            #peak 267 #SUP 0.85 #QF 0.39
  5 LEU  QD2    14 TYR  QE      5.23            #peak 267 #SUP 0.85 #QF 0.39
 12 VAL  QG2    14 TYR  QE      4.47            #peak 268 #SUP 0.85 #QF 0.85
  5 LEU  QB     14 TYR  QE      4.33            #peak 275 #SUP 0.91 #QF 0.91
  8 LYS  HA      8 LYS  HG2     4.20            #peak 277 #SUP 0.91 #QF 0.91
 12 VAL  HA     12 VAL  QG1     3.85            #peak 278 #SUP 0.99 #QF 0.99
 12 VAL  HA     12 VAL  QG2     3.70            #peak 279 #SUP 0.95 #QF 0.95
  2 CYSS HA     13 THR  QG2     4.42            #peak 283 #SUP 0.89 #QF 0.89
  4 ARG  HA     13 THR  QG2     4.22            #peak 284 #SUP 0.60 #QF 0.60
 13 THR  QG2    14 TYR  HA      4.73            #peak 285 #SUP 0.92 #QF 0.92
  8 LYS  HA      9 GLN  QG      4.26            #peak 286 #SUP 0.76 #QF 0.76
 12 VAL  HB     14 TYR  H       5.50            #peak 307 #SUP 0.54 #QF 0.54
  5 LEU  H      11 CYSS HB3     5.09            #peak 308 #SUP 0.82 #QF 0.82
  3 ARG  H       4 ARG  HA      4.93            #peak 311 #SUP 0.46 #QF 0.46
  2 CYSS HA     14 TYR  H       5.28            #peak 312 #SUP 0.65 #QF 0.52
  5 LEU  H       6 CYSS HA      5.50            #peak 312 #SUP 0.65 #QF 0.52
  5 LEU  H      11 CYSS HA      4.71            #peak 314 #SUP 0.58 #QF 0.58
  6 CYSS HB3    10 ARG  H       4.89            #peak 319 #SUP 0.93 #QF 0.93
  8 LYS  HA     10 ARG  H       5.19            #peak 320 #SUP 0.98 #QF 0.98
 10 ARG  H      10 ARG  QD      5.24            #peak 321 #SUP 0.96 #QF 0.96
  6 CYSS HA     10 ARG  H       4.70            #peak 322 #SUP 0.90 #QF 0.90
 12 VAL  QG2    14 TYR  H       4.63            #peak 325 #SUP 0.30 #QF 0.30
  6 CYSS HB3     9 GLN  H       4.92            #peak 326 #SUP 0.67 #QF 0.67
  8 LYS  H      10 ARG  H       5.02            #peak 328 #SUP 0.94 #QF 0.94
  3 ARG  H      16 ARG  H       5.50            #peak 329 #SUP 0.97 #QF 0.97
  5 LEU  H       6 CYSS H       4.91            #peak 330 #SUP 0.95 #QF 0.81
 14 TYR  H      15 CYSS H       5.28            #peak 330 #SUP 0.95 #QF 0.81
 13 THR  H      14 TYR  QD      5.50            #peak 332 #SUP 0.86 #QF 0.86
  4 ARG  HE     11 CYSS HB3     4.86            #peak 336 #SUP 0.52 #QF 0.52
 16 ARG  H      17 GLY  QA      5.00            #peak 354 #SUP 0.69 #QF 0.69
 13 THR  HB     14 TYR  H       4.41            #peak 356 #SUP 0.93 #QF 0.93
 16 ARG  H      16 ARG  QD      4.87            #peak 357 #SUP 0.77 #QF 0.77
  3 ARG  QD      4 ARG  H       4.94            #peak 359 #SUP 0.71 #QF 0.71
 13 THR  QG2    15 CYSS H       4.75            #peak 365 #SUP 0.72 #QF 0.72
  4 ARG  H      13 THR  QG2     5.00            #peak 366 #SUP 0.39 #QF 0.39
 11 CYSS HA     12 VAL  QG1     4.54            #peak 367 #SUP 0.86 #QF 0.86
  6 CYSS HA     12 VAL  QG1     5.13            #peak 368 #SUP 0.58 #QF 0.58
  5 LEU  QB      6 CYSS HA      4.76            #peak 370 #SUP 0.88 #QF 0.88
 15 CYSS HA     16 ARG  HG3     5.50            #peak 371 #SUP 0.65 #QF 0.65
 15 CYSS HA     16 ARG  HG2     5.50            #peak 373 #SUP 0.96 #QF 0.39
  9 GLN  HA      9 GLN  QG      3.32            #peak 375 #SUP 0.99 #QF 0.94
  5 LEU  H      14 TYR  QE      5.50            #peak 389 #SUP 0.85 #QF 0.63
 14 TYR  H      14 TYR  QE      5.50            #peak 389 #SUP 0.85 #QF 0.63
  2 CYSS QB      3 ARG  H       3.22            #peak 16
  2 CYSS QB     13 THR  QG2     3.09            #peak 294
  2 CYSS QB     14 TYR  H       4.57            #peak 309
  2 CYSS QB     15 CYSS HA      4.31            #peak 388
  3 ARG  H       3 ARG  QG      3.59            #peak 13
  3 ARG  QG     15 CYSS HA      5.34            #peak 373
  4 ARG  H       4 ARG  QB      2.87            #peak 66
  4 ARG  H       4 ARG  QG      4.56            #peak 68
  4 ARG  HA      4 ARG  QG      3.40            #peak 282
  4 ARG  QB      4 ARG  HE      4.76            #peak 269
  4 ARG  QG      5 LEU  H       4.00            #peak 244
  4 ARG  QG     11 CYSS HB3     4.03            #peak 212
  5 LEU  H       5 LEU  QQD     4.16            #peak 41
  5 LEU  QQD     6 CYSS H       4.18            #peak 258
  5 LEU  QQD     7 TYR  H       5.01            #peak 260
  5 LEU  QQD     7 TYR  QD      4.08            #peak 262
  5 LEU  QQD    14 TYR  QD      4.00            #peak 124
  5 LEU  QQD    14 TYR  QE      4.55            #peak 267
  7 TYR  QD      8 LYS  QG      4.18            #peak 125
  7 TYR  QD      8 LYS  QD      4.53            #peak 270
  7 TYR  QE      8 LYS  QG      4.45            #peak 126
  7 TYR  QE      8 LYS  QD      4.60            #peak 273
  8 LYS  H       8 LYS  QG      3.52            #peak 7
  8 LYS  HA      8 LYS  QG      3.44            #peak 168
  9 GLN  H       9 GLN  QB      3.50            #peak 305
  9 GLN  QB     10 ARG  H       4.13            #peak 116
 10 ARG  H      10 ARG  QG      4.18            #peak 120
 10 ARG  QG     11 CYSS H       4.30            #peak 48
 10 ARG  QG     11 CYSS HA      4.69            #peak 369
 14 TYR  H      14 TYR  QB      3.17            #peak 18
 15 CYSS HA     16 ARG  QB      4.71            #peak 372
 15 CYSS HA     16 ARG  QG      4.68            #peak 371
 16 ARG  H      16 ARG  QB      3.29            #peak 105
 16 ARG  H      16 ARG  QG      3.34            #peak 104
 16 ARG  HA     16 ARG  QG      3.59            #peak 291
 16 ARG  QG     17 GLY  H       4.56            #peak 88
# Restraints file 3: D_1000237788_mr_P3.cyana.V1
  6 CYSS SG     11 CYSS SG     2.10   1.0 
  6 CYSS SG     11 CYSS CB     3.10   1.0 
  6 CYSS CB     11 CYSS SG     3.10   1.0 
 15 CYSS SG      2 CYSS SG     2.10   1.0 
 15 CYSS SG      2 CYSS CB     3.10   1.0 
 15 CYSS CB      2 CYSS SG     3.10   1.0 
# Restraints file 4: D_1000237788_mr_P2.cyana.V1
  6 CYSS SG     11 CYSS SG      2.00   1.0 
  6 CYSS SG     11 CYSS CB      3.00   1.0 
  6 CYSS CB     11 CYSS SG      3.00   1.0 
 15 CYSS SG      2 CYSS SG      2.00   1.0 
 15 CYSS SG      2 CYSS CB      3.00   1.0 
 15 CYSS CB      2 CYSS SG      3.00   1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PCA   1           H        PCA   1   1.644  -0.009  -0.510
    2    HA   PCA   1           HA       PCA   1   0.716   2.037  -0.476
    3    HB2  PCA   1           HB2      PCA   1  -1.837   1.784   0.606
    4    HB3  PCA   1           HB3      PCA   1  -1.504   1.286  -1.061
    5    HG2  PCA   1           HG2      PCA   1  -1.487  -0.460   1.459
    6    HG3  PCA   1           HG3      PCA   1  -2.223  -0.819  -0.119
    7    H    CYS   2           H        CYS   2   2.449   1.994   1.023
    8    HA   CYS   2           HA       CYS   2   1.564   2.437   3.800
    9    HB2  CYS   2           HB2      CYS   2   4.269   1.388   2.945
   10    HB3  CYS   2           HB3      CYS   2   3.686   1.582   4.595
   11    H    ARG   3           H        ARG   3   2.592   4.108   4.956
   12    HA   ARG   3           HA       ARG   3   4.119   6.003   3.296
   13    HB2  ARG   3           HB2      ARG   3   3.008   7.810   4.688
   14    HB3  ARG   3           HB3      ARG   3   1.977   6.983   3.527
   15    HG2  ARG   3           HG2      ARG   3   1.100   5.573   5.340
   16    HG3  ARG   3           HG3      ARG   3   2.096   6.466   6.490
   17    HD2  ARG   3           HD2      ARG   3  -0.118   7.368   6.566
   18    HD3  ARG   3           HD3      ARG   3   0.929   8.549   5.780
   19    HE   ARG   3           HE       ARG   3  -0.273   6.909   3.832
   20   HH11  ARG   3          HH11      ARG   3  -1.051   9.443   6.088
   21   HH12  ARG   3          HH12      ARG   3  -2.366  10.060   5.142
   22   HH21  ARG   3          HH21      ARG   3  -2.001   7.711   2.578
   23   HH22  ARG   3          HH22      ARG   3  -2.906   9.074   3.146
   24    H    ARG   4           H        ARG   4   5.554   7.429   4.475
   25    HA   ARG   4           HA       ARG   4   6.567   6.160   6.929
   26    HB2  ARG   4           HB2      ARG   4   7.998   6.381   4.767
   27    HB3  ARG   4           HB3      ARG   4   8.159   8.066   5.245
   28    HG2  ARG   4           HG2      ARG   4   8.874   7.014   7.541
   29    HG3  ARG   4           HG3      ARG   4   9.246   5.616   6.530
   30    HD2  ARG   4           HD2      ARG   4  11.226   6.949   6.733
   31    HD3  ARG   4           HD3      ARG   4  10.618   7.104   5.085
   32    HE   ARG   4           HE       ARG   4   9.524   9.204   6.489
   33   HH11  ARG   4          HH11      ARG   4  12.723   8.064   5.723
   34   HH12  ARG   4          HH12      ARG   4  13.431   9.646   5.735
   35   HH21  ARG   4          HH21      ARG   4  10.444  11.291   6.508
   36   HH22  ARG   4          HH22      ARG   4  12.134  11.480   6.182
   37    H    LEU   5           H        LEU   5   5.921   7.201   8.695
   38    HA   LEU   5           HA       LEU   5   6.051  10.142   8.703
   39    HB2  LEU   5           HB2      LEU   5   3.714   9.275   8.622
   40    HB3  LEU   5           HB3      LEU   5   4.009   8.477  10.166
   41    HG   LEU   5           HG       LEU   5   4.435  10.737  11.157
   42   HD11  LEU   5          HD11      LEU   5   4.413  12.613   9.952
   43   HD12  LEU   5          HD12      LEU   5   2.977  12.126   9.053
   44   HD13  LEU   5          HD13      LEU   5   4.569  11.564   8.543
   45   HD21  LEU   5          HD21      LEU   5   1.879   9.670  10.190
   46   HD22  LEU   5          HD22      LEU   5   1.848  11.378  10.627
   47   HD23  LEU   5          HD23      LEU   5   2.363  10.174  11.810
   48    H    CYS   6           H        CYS   6   7.017  11.075  10.432
   49    HA   CYS   6           HA       CYS   6   7.988   9.266  12.547
   50    HB2  CYS   6           HB2      CYS   6   9.304  11.792  11.529
   51    HB3  CYS   6           HB3      CYS   6   9.946  10.706  12.757
   52    H    TYR   7           H        TYR   7   7.276   9.661  14.531
   53    HA   TYR   7           HA       TYR   7   6.444  12.396  15.222
   54    HB2  TYR   7           HB2      TYR   7   4.596  10.525  14.742
   55    HB3  TYR   7           HB3      TYR   7   4.938  10.128  16.422
   56    HD1  TYR   7           HD1      TYR   7   4.587  13.337  14.527
   57    HD2  TYR   7           HD2      TYR   7   3.320  10.969  17.827
   58    HE1  TYR   7           HE1      TYR   7   3.098  15.155  15.252
   59    HE2  TYR   7           HE2      TYR   7   1.826  12.780  18.561
   60    HH   TYR   7           HH       TYR   7   1.793  15.380  18.239
   61    H    LYS   8           H        LYS   8   7.021  13.098  17.215
   62    HA   LYS   8           HA       LYS   8   8.255  13.209  19.127
   63    HB2  LYS   8           HB2      LYS   8   7.115  10.430  19.480
   64    HB3  LYS   8           HB3      LYS   8   7.867  11.382  20.754
   65    HG2  LYS   8           HG2      LYS   8   6.119  13.088  20.484
   66    HG3  LYS   8           HG3      LYS   8   5.351  12.082  19.254
   67    HD2  LYS   8           HD2      LYS   8   5.868  11.181  22.084
   68    HD3  LYS   8           HD3      LYS   8   4.346  11.888  21.539
   69    HE2  LYS   8           HE2      LYS   8   4.438  10.036  19.722
   70    HE3  LYS   8           HE3      LYS   8   5.585   9.262  20.814
   71    HZ1  LYS   8           HZ1      LYS   8   2.801  10.050  21.482
   72    HZ2  LYS   8           HZ2      LYS   8   3.901   9.356  22.562
   73    HZ3  LYS   8           HZ3      LYS   8   3.355   8.472  21.227
   74    H    GLN   9           H        GLN   9   9.759  12.515  16.895
   75    HA   GLN   9           HA       GLN   9  11.831  11.767  16.327
   76    HB2  GLN   9           HB2      GLN   9  12.214  10.992  19.214
   77    HB3  GLN   9           HB3      GLN   9  13.446  11.432  18.039
   78    HG2  GLN   9           HG2      GLN   9  12.581  13.724  18.006
   79    HG3  GLN   9           HG3      GLN   9  11.376  13.275  19.212
   80   HE21  GLN   9          HE21      GLN   9  11.915  14.112  21.090
   81   HE22  GLN   9          HE22      GLN   9  13.498  14.137  21.780
   82    H    ARG  10           H        ARG  10   9.608   9.994  16.131
   83    HA   ARG  10           HA       ARG  10  11.058   7.454  16.173
   84    HB2  ARG  10           HB2      ARG  10   9.660   7.533  18.219
   85    HB3  ARG  10           HB3      ARG  10   8.237   7.763  17.212
   86    HG2  ARG  10           HG2      ARG  10   8.214   5.496  17.724
   87    HG3  ARG  10           HG3      ARG  10   8.897   5.557  16.098
   88    HD2  ARG  10           HD2      ARG  10  10.707   5.618  18.474
   89    HD3  ARG  10           HD3      ARG  10  10.016   4.086  17.942
   90    HE   ARG  10           HE       ARG  10  11.205   5.508  15.782
   91   HH11  ARG  10          HH11      ARG  10  11.926   3.503  18.536
   92   HH12  ARG  10          HH12      ARG  10  13.406   2.896  17.870
   93   HH21  ARG  10          HH21      ARG  10  13.152   4.715  14.895
   94   HH22  ARG  10          HH22      ARG  10  14.103   3.587  15.800
   95    H    CYS  11           H        CYS  11  11.035   6.664  14.184
   96    HA   CYS  11           HA       CYS  11   8.849   7.416  12.377
   97    HB2  CYS  11           HB2      CYS  11  11.554   6.216  11.743
   98    HB3  CYS  11           HB3      CYS  11  10.358   6.742  10.563
   99    H    VAL  12           H        VAL  12   7.466   5.956  11.558
  100    HA   VAL  12           HA       VAL  12   8.073   3.106  11.758
  101    HB   VAL  12           HB       VAL  12   5.767   2.670  12.674
  102   HG11  VAL  12          HG11      VAL  12   6.434   2.915  14.953
  103   HG12  VAL  12          HG12      VAL  12   7.884   2.574  14.007
  104   HG13  VAL  12          HG13      VAL  12   7.548   4.219  14.546
  105   HG21  VAL  12          HG21      VAL  12   4.830   4.890  12.173
  106   HG22  VAL  12          HG22      VAL  12   4.637   4.454  13.871
  107   HG23  VAL  12          HG23      VAL  12   5.890   5.598  13.392
  108    H    THR  13           H        THR  13   6.954   1.815  10.294
  109    HA   THR  13           HA       THR  13   5.879   3.244   8.010
  110    HB   THR  13           HB       THR  13   5.999   0.255   8.144
  111    HG1  THR  13           HG1      THR  13   8.278   1.781   7.447
  112   HG21  THR  13          HG21      THR  13   6.933   0.844   5.753
  113   HG22  THR  13          HG22      THR  13   6.132   2.385   6.059
  114   HG23  THR  13          HG23      THR  13   5.201   0.887   6.082
  115    H    TYR  14           H        TYR  14   3.788   3.614   7.733
  116    HA   TYR  14           HA       TYR  14   1.854   1.920   9.166
  117    HB2  TYR  14           HB2      TYR  14   1.724   4.795   8.265
  118    HB3  TYR  14           HB3      TYR  14   0.290   3.899   8.755
  119    HD1  TYR  14           HD1      TYR  14   2.212   6.340   9.914
  120    HD2  TYR  14           HD2      TYR  14   1.137   2.385  11.058
  121    HE1  TYR  14           HE1      TYR  14   2.672   6.901  12.264
  122    HE2  TYR  14           HE2      TYR  14   1.593   2.936  13.412
  123    HH   TYR  14           HH       TYR  14   1.827   4.761  14.864
  124    H    CYS  15           H        CYS  15   0.571   0.637   8.021
  125    HA   CYS  15           HA       CYS  15   0.224   1.202   5.149
  126    HB2  CYS  15           HB2      CYS  15   0.313  -1.508   6.492
  127    HB3  CYS  15           HB3      CYS  15   0.096  -1.213   4.770
  128    H    ARG  16           H        ARG  16  -1.803   1.240   4.354
  129    HA   ARG  16           HA       ARG  16  -3.991   1.145   6.237
  130    HB2  ARG  16           HB2      ARG  16  -3.951   1.728   3.270
  131    HB3  ARG  16           HB3      ARG  16  -5.358   1.894   4.312
  132    HG2  ARG  16           HG2      ARG  16  -3.943   3.519   5.676
  133    HG3  ARG  16           HG3      ARG  16  -2.840   3.519   4.299
  134    HD2  ARG  16           HD2      ARG  16  -5.742   4.331   4.319
  135    HD3  ARG  16           HD3      ARG  16  -4.343   5.377   4.081
  136    HE   ARG  16           HE       ARG  16  -4.231   3.462   2.092
  137   HH11  ARG  16          HH11      ARG  16  -6.418   5.974   3.105
  138   HH12  ARG  16          HH12      ARG  16  -7.025   6.269   1.510
  139   HH21  ARG  16          HH21      ARG  16  -5.023   3.841  -0.013
  140   HH22  ARG  16          HH22      ARG  16  -6.232   5.055  -0.263
  141    H    GLY  17           H        GLY  17  -5.208  -0.580   6.632
  142    HA2  GLY  17           HA2      GLY  17  -6.182  -2.336   4.653
  143    HA3  GLY  17           HA3      GLY  17  -4.800  -3.080   5.443
  144    H    ARG  18           H        ARG  18  -5.706  -4.652   6.640
  145    HA   ARG  18           HA       ARG  18  -8.156  -4.216   8.099
  146    HB2  ARG  18           HB2      ARG  18  -7.403  -6.408   7.010
  147    HB3  ARG  18           HB3      ARG  18  -6.317  -6.584   8.382
  148    HG2  ARG  18           HG2      ARG  18  -8.126  -7.796   9.087
  149    HG3  ARG  18           HG3      ARG  18  -8.490  -6.214   9.780
  150    HD2  ARG  18           HD2      ARG  18 -10.504  -6.698   8.810
  151    HD3  ARG  18           HD3      ARG  18  -9.713  -5.860   7.476
  152    HE   ARG  18           HE       ARG  18  -9.190  -8.631   7.328
  153   HH11  ARG  18          HH11      ARG  18 -11.734  -6.305   6.839
  154   HH12  ARG  18          HH12      ARG  18 -12.555  -7.259   5.649
  155   HH21  ARG  18          HH21      ARG  18 -10.262  -9.896   5.762
  156   HH22  ARG  18          HH22      ARG  18 -11.718  -9.302   5.037
  157    HN1  NH2  19           H1       NH2  19  -4.839  -5.127   9.058
  158    HN2  NH2  19           H2       NH2  19  -4.857  -4.433  10.618
  Start of MODEL    2
    1    H    PCA   1           H        PCA   1   3.097   0.622  -1.393
    2    HA   PCA   1           HA       PCA   1   1.647   2.284  -0.968
    3    HB2  PCA   1           HB2      PCA   1  -0.768   1.119  -0.211
    4    HB3  PCA   1           HB3      PCA   1  -0.271   1.156  -1.911
    5    HG2  PCA   1           HG2      PCA   1   0.160  -1.096   0.125
    6    HG3  PCA   1           HG3      PCA   1  -0.413  -1.229  -1.554
    7    H    CYS   2           H        CYS   2   2.933   2.806   0.646
    8    HA   CYS   2           HA       CYS   2   1.985   2.180   3.345
    9    HB2  CYS   2           HB2      CYS   2   4.865   2.014   2.439
   10    HB3  CYS   2           HB3      CYS   2   4.356   2.005   4.124
   11    H    ARG   3           H        ARG   3   3.061   3.684   4.980
   12    HA   ARG   3           HA       ARG   3   3.582   6.322   3.789
   13    HB2  ARG   3           HB2      ARG   3   1.891   5.898   6.254
   14    HB3  ARG   3           HB3      ARG   3   2.162   7.404   5.388
   15    HG2  ARG   3           HG2      ARG   3   1.071   6.147   3.393
   16    HG3  ARG   3           HG3      ARG   3   0.440   5.083   4.652
   17    HD2  ARG   3           HD2      ARG   3   0.151   8.066   4.816
   18    HD3  ARG   3           HD3      ARG   3  -1.001   7.074   3.923
   19    HE   ARG   3           HE       ARG   3  -0.543   6.188   6.621
   20   HH11  ARG   3          HH11      ARG   3  -2.398   8.302   4.568
   21   HH12  ARG   3          HH12      ARG   3  -3.731   8.414   5.669
   22   HH21  ARG   3          HH21      ARG   3  -2.293   6.328   8.078
   23   HH22  ARG   3          HH22      ARG   3  -3.670   7.291   7.664
   24    H    ARG   4           H        ARG   4   5.225   7.442   4.678
   25    HA   ARG   4           HA       ARG   4   6.538   6.249   7.028
   26    HB2  ARG   4           HB2      ARG   4   7.921   6.180   5.029
   27    HB3  ARG   4           HB3      ARG   4   7.699   7.907   4.784
   28    HG2  ARG   4           HG2      ARG   4   8.927   8.389   6.810
   29    HG3  ARG   4           HG3      ARG   4   9.084   6.664   7.150
   30    HD2  ARG   4           HD2      ARG   4  10.612   6.334   5.454
   31    HD3  ARG   4           HD3      ARG   4  10.066   7.744   4.547
   32    HE   ARG   4           HE       ARG   4  11.218   8.516   7.020
   33   HH11  ARG   4          HH11      ARG   4  12.033   7.383   3.831
   34   HH12  ARG   4          HH12      ARG   4  13.597   8.127   3.824
   35   HH21  ARG   4          HH21      ARG   4  13.275   9.501   7.024
   36   HH22  ARG   4          HH22      ARG   4  14.303   9.331   5.642
   37    H    LEU   5           H        LEU   5   5.810   7.338   8.765
   38    HA   LEU   5           HA       LEU   5   6.102  10.266   8.734
   39    HB2  LEU   5           HB2      LEU   5   3.704   9.182   8.762
   40    HB3  LEU   5           HB3      LEU   5   4.060   8.970  10.475
   41    HG   LEU   5           HG       LEU   5   4.147  11.635   9.069
   42   HD11  LEU   5          HD11      LEU   5   1.913  11.323   8.930
   43   HD12  LEU   5          HD12      LEU   5   1.978  11.806  10.625
   44   HD13  LEU   5          HD13      LEU   5   1.891  10.097  10.198
   45   HD21  LEU   5          HD21      LEU   5   3.672  12.131  11.675
   46   HD22  LEU   5          HD22      LEU   5   5.285  12.087  10.961
   47   HD23  LEU   5          HD23      LEU   5   4.655  10.671  11.806
   48    H    CYS   6           H        CYS   6   7.244  11.121  10.368
   49    HA   CYS   6           HA       CYS   6   8.056   9.312  12.548
   50    HB2  CYS   6           HB2      CYS   6   9.558  11.693  11.439
   51    HB3  CYS   6           HB3      CYS   6  10.123  10.607  12.704
   52    H    TYR   7           H        TYR   7   7.400   9.818  14.526
   53    HA   TYR   7           HA       TYR   7   6.810  12.630  15.154
   54    HB2  TYR   7           HB2      TYR   7   4.800  10.916  14.711
   55    HB3  TYR   7           HB3      TYR   7   5.097  10.548  16.405
   56    HD1  TYR   7           HD1      TYR   7   5.026  13.698  14.385
   57    HD2  TYR   7           HD2      TYR   7   3.580  11.589  17.785
   58    HE1  TYR   7           HE1      TYR   7   3.708  15.668  15.039
   59    HE2  TYR   7           HE2      TYR   7   2.257  13.555  18.449
   60    HH   TYR   7           HH       TYR   7   2.330  16.034  18.075
   61    H    LYS   8           H        LYS   8   7.451  13.315  17.133
   62    HA   LYS   8           HA       LYS   8   8.685  13.349  19.048
   63    HB2  LYS   8           HB2      LYS   8   7.303  10.688  19.451
   64    HB3  LYS   8           HB3      LYS   8   8.130  11.599  20.708
   65    HG2  LYS   8           HG2      LYS   8   6.476  13.499  19.983
   66    HG3  LYS   8           HG3      LYS   8   5.530  12.142  19.368
   67    HD2  LYS   8           HD2      LYS   8   6.610  12.196  22.173
   68    HD3  LYS   8           HD3      LYS   8   5.054  12.918  21.755
   69    HE2  LYS   8           HE2      LYS   8   5.731  10.078  21.047
   70    HE3  LYS   8           HE3      LYS   8   5.058  10.508  22.618
   71    HZ1  LYS   8           HZ1      LYS   8   3.222  11.622  21.326
   72    HZ2  LYS   8           HZ2      LYS   8   3.242   9.932  21.274
   73    HZ3  LYS   8           HZ3      LYS   8   3.808  10.826  19.954
   74    H    GLN   9           H        GLN   9  10.128  12.492  16.839
   75    HA   GLN   9           HA       GLN   9  12.120  11.544  16.285
   76    HB2  GLN   9           HB2      GLN   9  12.429  10.810  19.193
   77    HB3  GLN   9           HB3      GLN   9  13.699  11.096  18.010
   78    HG2  GLN   9           HG2      GLN   9  11.914  13.092  19.352
   79    HG3  GLN   9           HG3      GLN   9  13.674  13.000  19.365
   80   HE21  GLN   9          HE21      GLN   9  11.315  14.847  18.317
   81   HE22  GLN   9          HE22      GLN   9  11.966  15.422  16.823
   82    H    ARG  10           H        ARG  10   9.750   9.970  16.128
   83    HA   ARG  10           HA       ARG  10  10.969   7.313  16.228
   84    HB2  ARG  10           HB2      ARG  10   9.562   7.604  18.271
   85    HB3  ARG  10           HB3      ARG  10   8.170   7.861  17.227
   86    HG2  ARG  10           HG2      ARG  10   8.246   5.639  16.422
   87    HG3  ARG  10           HG3      ARG  10   9.836   5.363  17.138
   88    HD2  ARG  10           HD2      ARG  10   7.592   6.142  18.928
   89    HD3  ARG  10           HD3      ARG  10   7.623   4.497  18.294
   90    HE   ARG  10           HE       ARG  10  10.133   5.266  19.410
   91   HH11  ARG  10          HH11      ARG  10   6.938   4.132  20.201
   92   HH12  ARG  10          HH12      ARG  10   7.429   3.387  21.687
   93   HH21  ARG  10          HH21      ARG  10  10.791   4.290  21.364
   94   HH22  ARG  10          HH22      ARG  10   9.620   3.478  22.348
   95    H    CYS  11           H        CYS  11  10.872   6.482  14.259
   96    HA   CYS  11           HA       CYS  11   8.750   7.374  12.438
   97    HB2  CYS  11           HB2      CYS  11  11.335   5.942  11.794
   98    HB3  CYS  11           HB3      CYS  11  10.192   6.603  10.629
   99    H    VAL  12           H        VAL  12   7.352   5.970  11.484
  100    HA   VAL  12           HA       VAL  12   7.708   3.099  11.889
  101    HB   VAL  12           HB       VAL  12   5.327   2.874  12.627
  102   HG11  VAL  12          HG11      VAL  12   6.933   2.565  14.306
  103   HG12  VAL  12          HG12      VAL  12   7.349   4.280  14.346
  104   HG13  VAL  12          HG13      VAL  12   5.799   3.731  14.987
  105   HG21  VAL  12          HG21      VAL  12   4.488   5.024  11.884
  106   HG22  VAL  12          HG22      VAL  12   4.242   4.849  13.622
  107   HG23  VAL  12          HG23      VAL  12   5.555   5.857  13.013
  108    H    THR  13           H        THR  13   7.017   1.914  10.204
  109    HA   THR  13           HA       THR  13   5.946   3.321   7.905
  110    HB   THR  13           HB       THR  13   6.473   0.366   7.964
  111    HG1  THR  13           HG1      THR  13   8.412   0.998   8.678
  112   HG21  THR  13          HG21      THR  13   5.455   1.422   5.965
  113   HG22  THR  13          HG22      THR  13   7.034   0.710   5.635
  114   HG23  THR  13          HG23      THR  13   6.876   2.456   5.822
  115    H    TYR  14           H        TYR  14   3.822   3.583   7.730
  116    HA   TYR  14           HA       TYR  14   2.025   1.569   8.869
  117    HB2  TYR  14           HB2      TYR  14   1.590   4.422   7.985
  118    HB3  TYR  14           HB3      TYR  14   0.263   3.346   8.410
  119    HD1  TYR  14           HD1      TYR  14   1.692   6.021   9.665
  120    HD2  TYR  14           HD2      TYR  14   1.315   1.921  10.736
  121    HE1  TYR  14           HE1      TYR  14   1.974   6.620  12.033
  122    HE2  TYR  14           HE2      TYR  14   1.594   2.509  13.108
  123    HH   TYR  14           HH       TYR  14   2.301   5.828  14.107
  124    H    CYS  15           H        CYS  15   1.394   0.021   7.529
  125    HA   CYS  15           HA       CYS  15   0.852   0.730   4.720
  126    HB2  CYS  15           HB2      CYS  15   1.725  -1.967   5.774
  127    HB3  CYS  15           HB3      CYS  15   1.482  -1.529   4.087
  128    H    ARG  16           H        ARG  16  -1.178   0.490   4.064
  129    HA   ARG  16           HA       ARG  16  -3.188  -0.494   5.833
  130    HB2  ARG  16           HB2      ARG  16  -4.748   0.012   4.013
  131    HB3  ARG  16           HB3      ARG  16  -3.637   1.347   4.287
  132    HG2  ARG  16           HG2      ARG  16  -2.267   0.486   2.379
  133    HG3  ARG  16           HG3      ARG  16  -3.569  -0.660   2.051
  134    HD2  ARG  16           HD2      ARG  16  -4.193   2.248   2.300
  135    HD3  ARG  16           HD3      ARG  16  -3.478   1.640   0.808
  136    HE   ARG  16           HE       ARG  16  -5.676   0.032   1.521
  137   HH11  ARG  16          HH11      ARG  16  -4.932   3.216   0.324
  138   HH12  ARG  16          HH12      ARG  16  -6.433   3.389  -0.525
  139   HH21  ARG  16          HH21      ARG  16  -7.655   0.248   0.408
  140   HH22  ARG  16          HH22      ARG  16  -7.982   1.701  -0.476
  141    H    GLY  17           H        GLY  17  -3.872  -2.516   6.080
  142    HA2  GLY  17           HA2      GLY  17  -4.188  -4.331   3.905
  143    HA3  GLY  17           HA3      GLY  17  -2.768  -4.734   4.860
  144    H    ARG  18           H        ARG  18  -3.655  -6.702   5.531
  145    HA   ARG  18           HA       ARG  18  -6.190  -6.835   6.853
  146    HB2  ARG  18           HB2      ARG  18  -4.802  -8.699   5.614
  147    HB3  ARG  18           HB3      ARG  18  -4.088  -8.932   7.203
  148    HG2  ARG  18           HG2      ARG  18  -7.049  -8.852   6.999
  149    HG3  ARG  18           HG3      ARG  18  -6.204 -10.289   6.420
  150    HD2  ARG  18           HD2      ARG  18  -5.182 -10.622   8.566
  151    HD3  ARG  18           HD3      ARG  18  -5.813  -9.085   9.155
  152    HE   ARG  18           HE       ARG  18  -7.812 -10.113   9.583
  153   HH11  ARG  18          HH11      ARG  18  -5.931 -12.125   7.452
  154   HH12  ARG  18          HH12      ARG  18  -7.028 -13.462   7.536
  155   HH21  ARG  18          HH21      ARG  18  -9.263 -11.868   9.700
  156   HH22  ARG  18          HH22      ARG  18  -8.923 -13.316   8.815
  157    HN1  NH2  19           H1       NH2  19  -2.817  -7.102   7.974
  158    HN2  NH2  19           H2       NH2  19  -3.089  -6.697   9.610
  Start of MODEL    3
    1    H    PCA   1           H        PCA   1   1.398  -0.997  -0.753
    2    HA   PCA   1           HA       PCA   1   2.724   0.814  -0.668
    3    HB2  PCA   1           HB2      PCA   1   1.080   3.062  -0.701
    4    HB3  PCA   1           HB3      PCA   1   1.389   2.141  -2.183
    5    HG2  PCA   1           HG2      PCA   1  -0.964   1.839  -0.240
    6    HG3  PCA   1           HG3      PCA   1  -1.009   1.898  -2.017
    7    H    CYS   2           H        CYS   2   3.240   2.434   0.853
    8    HA   CYS   2           HA       CYS   2   1.817   2.298   3.411
    9    HB2  CYS   2           HB2      CYS   2   4.811   1.958   3.206
   10    HB3  CYS   2           HB3      CYS   2   3.817   1.823   4.652
   11    H    ARG   3           H        ARG   3   3.030   3.858   5.021
   12    HA   ARG   3           HA       ARG   3   3.850   6.284   3.578
   13    HB2  ARG   3           HB2      ARG   3   2.477   7.661   5.046
   14    HB3  ARG   3           HB3      ARG   3   1.477   6.498   4.186
   15    HG2  ARG   3           HG2      ARG   3   1.266   5.131   6.130
   16    HG3  ARG   3           HG3      ARG   3   2.457   6.099   7.001
   17    HD2  ARG   3           HD2      ARG   3   0.155   6.628   7.680
   18    HD3  ARG   3           HD3      ARG   3   0.975   8.014   6.962
   19    HE   ARG   3           HE       ARG   3  -0.565   8.001   5.272
   20   HH11  ARG   3          HH11      ARG   3  -0.691   4.951   6.946
   21   HH12  ARG   3          HH12      ARG   3  -2.098   4.396   6.101
   22   HH21  ARG   3          HH21      ARG   3  -2.418   7.281   4.152
   23   HH22  ARG   3          HH22      ARG   3  -3.078   5.722   4.511
   24    H    ARG   4           H        ARG   4   5.441   7.476   4.529
   25    HA   ARG   4           HA       ARG   4   6.650   6.311   6.939
   26    HB2  ARG   4           HB2      ARG   4   8.044   6.429   4.885
   27    HB3  ARG   4           HB3      ARG   4   7.882   8.180   4.908
   28    HG2  ARG   4           HG2      ARG   4   8.876   7.995   7.292
   29    HG3  ARG   4           HG3      ARG   4   9.408   6.400   6.757
   30    HD2  ARG   4           HD2      ARG   4  10.802   7.276   5.118
   31    HD3  ARG   4           HD3      ARG   4   9.948   8.818   5.081
   32    HE   ARG   4           HE       ARG   4  11.127   8.439   7.614
   33   HH11  ARG   4          HH11      ARG   4  11.965   9.134   4.307
   34   HH12  ARG   4          HH12      ARG   4  13.400  10.011   4.719
   35   HH21  ARG   4          HH21      ARG   4  13.015   9.592   8.169
   36   HH22  ARG   4          HH22      ARG   4  13.998  10.270   6.915
   37    H    LEU   5           H        LEU   5   5.871   7.304   8.700
   38    HA   LEU   5           HA       LEU   5   5.991  10.246   8.765
   39    HB2  LEU   5           HB2      LEU   5   3.659   9.274   8.664
   40    HB3  LEU   5           HB3      LEU   5   3.970   8.592  10.258
   41    HG   LEU   5           HG       LEU   5   4.274  11.533   9.828
   42   HD11  LEU   5          HD11      LEU   5   2.094  11.957   9.624
   43   HD12  LEU   5          HD12      LEU   5   1.655  10.730  10.811
   44   HD13  LEU   5          HD13      LEU   5   1.934  10.272   9.131
   45   HD21  LEU   5          HD21      LEU   5   4.932  11.056  11.958
   46   HD22  LEU   5          HD22      LEU   5   3.877   9.648  12.090
   47   HD23  LEU   5          HD23      LEU   5   3.203  11.272  12.233
   48    H    CYS   6           H        CYS   6   7.201  11.063  10.346
   49    HA   CYS   6           HA       CYS   6   8.019   9.267  12.532
   50    HB2  CYS   6           HB2      CYS   6   9.483  11.685  11.454
   51    HB3  CYS   6           HB3      CYS   6  10.067  10.580  12.695
   52    H    TYR   7           H        TYR   7   7.350   9.751  14.510
   53    HA   TYR   7           HA       TYR   7   6.685  12.547  15.140
   54    HB2  TYR   7           HB2      TYR   7   4.729  10.777  14.731
   55    HB3  TYR   7           HB3      TYR   7   5.075  10.390  16.414
   56    HD1  TYR   7           HD1      TYR   7   4.882  13.585  14.474
   57    HD2  TYR   7           HD2      TYR   7   3.521  11.339  17.821
   58    HE1  TYR   7           HE1      TYR   7   3.509  15.496  15.191
   59    HE2  TYR   7           HE2      TYR   7   2.144  13.243  18.547
   60    HH   TYR   7           HH       TYR   7   1.045  15.335  17.210
   61    H    LYS   8           H        LYS   8   7.323  13.267  17.109
   62    HA   LYS   8           HA       LYS   8   8.588  13.363  19.002
   63    HB2  LYS   8           HB2      LYS   8   7.196  10.711  19.389
   64    HB3  LYS   8           HB3      LYS   8   8.166  11.483  20.637
   65    HG2  LYS   8           HG2      LYS   8   6.645  13.179  20.966
   66    HG3  LYS   8           HG3      LYS   8   5.938  12.999  19.358
   67    HD2  LYS   8           HD2      LYS   8   4.689  11.136  19.981
   68    HD3  LYS   8           HD3      LYS   8   5.710  10.800  21.381
   69    HE2  LYS   8           HE2      LYS   8   4.806  12.638  22.584
   70    HE3  LYS   8           HE3      LYS   8   3.997  13.264  21.148
   71    HZ1  LYS   8           HZ1      LYS   8   2.440  11.534  21.195
   72    HZ2  LYS   8           HZ2      LYS   8   2.572  12.030  22.807
   73    HZ3  LYS   8           HZ3      LYS   8   3.341  10.615  22.292
   74    H    GLN   9           H        GLN   9  10.022  12.531  16.770
   75    HA   GLN   9           HA       GLN   9  12.042  11.658  16.197
   76    HB2  GLN   9           HB2      GLN   9  12.404  10.963  19.110
   77    HB3  GLN   9           HB3      GLN   9  13.656  11.251  17.909
   78    HG2  GLN   9           HG2      GLN   9  12.903  13.605  17.759
   79    HG3  GLN   9           HG3      GLN   9  11.765  13.284  19.066
   80   HE21  GLN   9          HE21      GLN   9  12.552  14.432  20.709
   81   HE22  GLN   9          HE22      GLN   9  14.153  14.292  21.345
   82    H    ARG  10           H        ARG  10   9.726  10.002  16.075
   83    HA   ARG  10           HA       ARG  10  11.039   7.390  16.170
   84    HB2  ARG  10           HB2      ARG  10   9.668   7.607  18.228
   85    HB3  ARG  10           HB3      ARG  10   8.247   7.870  17.225
   86    HG2  ARG  10           HG2      ARG  10   8.641   5.622  16.213
   87    HG3  ARG  10           HG3      ARG  10   9.914   5.374  17.409
   88    HD2  ARG  10           HD2      ARG  10   8.417   5.315  19.179
   89    HD3  ARG  10           HD3      ARG  10   7.168   6.174  18.279
   90    HE   ARG  10           HE       ARG  10   7.722   3.669  17.079
   91   HH11  ARG  10          HH11      ARG  10   6.126   5.114  19.815
   92   HH12  ARG  10          HH12      ARG  10   4.976   3.831  19.987
   93   HH21  ARG  10          HH21      ARG  10   6.212   1.973  17.295
   94   HH22  ARG  10          HH22      ARG  10   5.026   2.044  18.554
   95    H    CYS  11           H        CYS  11  10.948   6.551  14.203
   96    HA   CYS  11           HA       CYS  11   8.782   7.369  12.402
   97    HB2  CYS  11           HB2      CYS  11  11.396   5.994  11.747
   98    HB3  CYS  11           HB3      CYS  11  10.224   6.606  10.585
   99    H    VAL  12           H        VAL  12   7.383   5.935  11.512
  100    HA   VAL  12           HA       VAL  12   7.819   3.073  11.890
  101    HB   VAL  12           HB       VAL  12   5.443   2.815  12.697
  102   HG11  VAL  12          HG11      VAL  12   7.366   4.277  14.504
  103   HG12  VAL  12          HG12      VAL  12   6.000   3.293  15.033
  104   HG13  VAL  12          HG13      VAL  12   7.353   2.543  14.187
  105   HG21  VAL  12          HG21      VAL  12   4.329   4.689  13.702
  106   HG22  VAL  12          HG22      VAL  12   5.701   5.745  13.362
  107   HG23  VAL  12          HG23      VAL  12   4.729   5.108  12.036
  108    H    THR  13           H        THR  13   7.007   1.849  10.270
  109    HA   THR  13           HA       THR  13   5.888   3.241   7.987
  110    HB   THR  13           HB       THR  13   6.262   0.276   8.018
  111    HG1  THR  13           HG1      THR  13   8.427   2.080   7.635
  112   HG21  THR  13          HG21      THR  13   7.398   1.370   5.750
  113   HG22  THR  13          HG22      THR  13   6.025   2.430   6.071
  114   HG23  THR  13          HG23      THR  13   5.774   0.696   5.874
  115    H    TYR  14           H        TYR  14   3.789   3.379   7.569
  116    HA   TYR  14           HA       TYR  14   1.975   1.432   8.836
  117    HB2  TYR  14           HB2      TYR  14   1.607   4.362   8.225
  118    HB3  TYR  14           HB3      TYR  14   0.247   3.298   8.567
  119    HD1  TYR  14           HD1      TYR  14   1.969   5.749  10.033
  120    HD2  TYR  14           HD2      TYR  14   1.097   1.646  10.743
  121    HE1  TYR  14           HE1      TYR  14   2.308   6.101  12.443
  122    HE2  TYR  14           HE2      TYR  14   1.433   1.986  13.155
  123    HH   TYR  14           HH       TYR  14   1.245   4.497  14.703
  124    H    CYS  15           H        CYS  15   1.132   0.046   7.443
  125    HA   CYS  15           HA       CYS  15   0.684   0.924   4.668
  126    HB2  CYS  15           HB2      CYS  15   0.986  -1.927   5.621
  127    HB3  CYS  15           HB3      CYS  15   0.993  -1.345   3.958
  128    H    ARG  16           H        ARG  16  -1.319   0.841   3.836
  129    HA   ARG  16           HA       ARG  16  -3.495   0.103   5.614
  130    HB2  ARG  16           HB2      ARG  16  -3.408   1.478   2.930
  131    HB3  ARG  16           HB3      ARG  16  -4.911   1.050   3.736
  132    HG2  ARG  16           HG2      ARG  16  -2.858   2.692   5.154
  133    HG3  ARG  16           HG3      ARG  16  -3.960   3.438   3.996
  134    HD2  ARG  16           HD2      ARG  16  -5.867   2.556   5.265
  135    HD3  ARG  16           HD3      ARG  16  -4.753   1.841   6.430
  136    HE   ARG  16           HE       ARG  16  -4.217   4.587   6.226
  137   HH11  ARG  16          HH11      ARG  16  -6.675   2.420   7.402
  138   HH12  ARG  16          HH12      ARG  16  -7.228   3.506   8.633
  139   HH21  ARG  16          HH21      ARG  16  -4.936   6.026   7.845
  140   HH22  ARG  16          HH22      ARG  16  -6.238   5.557   8.883
  141    H    GLY  17           H        GLY  17  -4.620  -1.732   5.490
  142    HA2  GLY  17           HA2      GLY  17  -3.985  -3.599   3.332
  143    HA3  GLY  17           HA3      GLY  17  -4.806  -3.990   4.836
  144    H    ARG  18           H        ARG  18  -7.036  -3.638   5.021
  145    HA   ARG  18           HA       ARG  18  -8.451  -3.818   2.520
  146    HB2  ARG  18           HB2      ARG  18  -9.413  -3.821   5.385
  147    HB3  ARG  18           HB3      ARG  18 -10.460  -4.056   3.992
  148    HG2  ARG  18           HG2      ARG  18  -9.504  -6.124   3.474
  149    HG3  ARG  18           HG3      ARG  18  -8.086  -5.818   4.479
  150    HD2  ARG  18           HD2      ARG  18  -9.307  -7.285   5.784
  151    HD3  ARG  18           HD3      ARG  18  -9.799  -5.716   6.421
  152    HE   ARG  18           HE       ARG  18 -11.521  -6.645   4.336
  153   HH11  ARG  18          HH11      ARG  18 -10.811  -6.897   7.735
  154   HH12  ARG  18          HH12      ARG  18 -12.422  -7.365   8.170
  155   HH21  ARG  18          HH21      ARG  18 -13.645  -7.261   4.896
  156   HH22  ARG  18          HH22      ARG  18 -14.033  -7.572   6.554
  157    HN1  NH2  19           H1       NH2  19 -10.720  -2.566   2.615
  158    HN2  NH2  19           H2       NH2  19 -10.603  -0.869   2.768
  Start of MODEL    4
    1    H    PCA   1           H        PCA   1   0.440  -0.497  -0.359
    2    HA   PCA   1           HA       PCA   1   2.023   1.088  -0.531
    3    HB2  PCA   1           HB2      PCA   1   0.744   3.562  -0.471
    4    HB3  PCA   1           HB3      PCA   1   0.715   2.559  -1.932
    5    HG2  PCA   1           HG2      PCA   1  -1.382   2.685   0.300
    6    HG3  PCA   1           HG3      PCA   1  -1.648   2.696  -1.458
    7    H    CYS   2           H        CYS   2   3.103   2.370   0.878
    8    HA   CYS   2           HA       CYS   2   2.020   2.478   3.618
    9    HB2  CYS   2           HB2      CYS   2   4.903   1.971   2.862
   10    HB3  CYS   2           HB3      CYS   2   4.217   1.946   4.483
   11    H    ARG   3           H        ARG   3   2.818   4.176   4.969
   12    HA   ARG   3           HA       ARG   3   3.975   6.442   3.485
   13    HB2  ARG   3           HB2      ARG   3   1.772   6.522   5.555
   14    HB3  ARG   3           HB3      ARG   3   2.570   7.942   4.889
   15    HG2  ARG   3           HG2      ARG   3   1.217   5.957   3.104
   16    HG3  ARG   3           HG3      ARG   3   0.305   7.230   3.917
   17    HD2  ARG   3           HD2      ARG   3   2.137   8.793   2.927
   18    HD3  ARG   3           HD3      ARG   3   2.415   7.455   1.813
   19    HE   ARG   3           HE       ARG   3   0.236   9.286   1.772
   20   HH11  ARG   3          HH11      ARG   3   1.123   5.988   1.096
   21   HH12  ARG   3          HH12      ARG   3  -0.114   5.762  -0.095
   22   HH21  ARG   3          HH21      ARG   3  -1.398   9.000   0.205
   23   HH22  ARG   3          HH22      ARG   3  -1.546   7.477  -0.603
   24    H    ARG   4           H        ARG   4   5.778   7.234   4.344
   25    HA   ARG   4           HA       ARG   4   6.680   6.252   6.918
   26    HB2  ARG   4           HB2      ARG   4   8.284   6.269   5.114
   27    HB3  ARG   4           HB3      ARG   4   8.010   7.982   4.829
   28    HG2  ARG   4           HG2      ARG   4   9.032   8.558   6.915
   29    HG3  ARG   4           HG3      ARG   4   9.148   6.860   7.378
   30    HD2  ARG   4           HD2      ARG   4  10.544   6.600   5.225
   31    HD3  ARG   4           HD3      ARG   4  10.691   8.356   5.289
   32    HE   ARG   4           HE       ARG   4  11.402   7.470   7.790
   33   HH11  ARG   4          HH11      ARG   4  12.501   6.942   4.529
   34   HH12  ARG   4          HH12      ARG   4  14.145   6.657   4.991
   35   HH21  ARG   4          HH21      ARG   4  13.564   7.095   8.411
   36   HH22  ARG   4          HH22      ARG   4  14.749   6.743   7.199
   37    H    LEU   5           H        LEU   5   5.918   7.260   8.665
   38    HA   LEU   5           HA       LEU   5   6.010  10.202   8.709
   39    HB2  LEU   5           HB2      LEU   5   3.689   8.969   8.626
   40    HB3  LEU   5           HB3      LEU   5   4.001   8.727  10.343
   41    HG   LEU   5           HG       LEU   5   4.032  11.452   9.070
   42   HD11  LEU   5          HD11      LEU   5   1.675  10.562  10.620
   43   HD12  LEU   5          HD12      LEU   5   1.822   9.965   8.968
   44   HD13  LEU   5          HD13      LEU   5   1.791  11.700   9.278
   45   HD21  LEU   5          HD21      LEU   5   3.997  10.372  11.862
   46   HD22  LEU   5          HD22      LEU   5   3.383  11.988  11.512
   47   HD23  LEU   5          HD23      LEU   5   5.061  11.582  11.147
   48    H    CYS   6           H        CYS   6   7.265  10.993  10.257
   49    HA   CYS   6           HA       CYS   6   8.011   9.229  12.492
   50    HB2  CYS   6           HB2      CYS   6   9.478  11.659  11.444
   51    HB3  CYS   6           HB3      CYS   6  10.046  10.552  12.690
   52    H    TYR   7           H        TYR   7   7.300   9.712  14.455
   53    HA   TYR   7           HA       TYR   7   6.589  12.502  15.059
   54    HB2  TYR   7           HB2      TYR   7   4.670  10.690  14.636
   55    HB3  TYR   7           HB3      TYR   7   4.994  10.333  16.328
   56    HD1  TYR   7           HD1      TYR   7   4.775  13.495  14.337
   57    HD2  TYR   7           HD2      TYR   7   3.405  11.278  17.699
   58    HE1  TYR   7           HE1      TYR   7   3.358  15.392  15.002
   59    HE2  TYR   7           HE2      TYR   7   1.982  13.168  18.373
   60    HH   TYR   7           HH       TYR   7   2.090  16.250  16.660
   61    H    LYS   8           H        LYS   8   7.182  13.244  17.034
   62    HA   LYS   8           HA       LYS   8   8.420  13.371  18.944
   63    HB2  LYS   8           HB2      LYS   8   7.119  10.674  19.358
   64    HB3  LYS   8           HB3      LYS   8   7.979  11.561  20.610
   65    HG2  LYS   8           HG2      LYS   8   6.319  13.467  20.065
   66    HG3  LYS   8           HG3      LYS   8   5.364  12.189  19.307
   67    HD2  LYS   8           HD2      LYS   8   4.555  12.329  21.509
   68    HD3  LYS   8           HD3      LYS   8   5.623  10.923  21.506
   69    HE2  LYS   8           HE2      LYS   8   6.227  12.053  23.447
   70    HE3  LYS   8           HE3      LYS   8   7.440  12.576  22.280
   71    HZ1  LYS   8           HZ1      LYS   8   5.110  14.084  23.301
   72    HZ2  LYS   8           HZ2      LYS   8   5.911  14.541  21.883
   73    HZ3  LYS   8           HZ3      LYS   8   6.745  14.513  23.353
   74    H    GLN   9           H        GLN   9   9.902  12.548  16.742
   75    HA   GLN   9           HA       GLN   9  11.942  11.700  16.206
   76    HB2  GLN   9           HB2      GLN   9  12.283  11.008  19.120
   77    HB3  GLN   9           HB3      GLN   9  13.538  11.349  17.935
   78    HG2  GLN   9           HG2      GLN   9  12.635  13.682  17.792
   79    HG3  GLN   9           HG3      GLN   9  11.595  13.289  19.160
   80   HE21  GLN   9          HE21      GLN   9  12.361  14.084  20.970
   81   HE22  GLN   9          HE22      GLN   9  14.024  14.168  21.429
   82    H    ARG  10           H        ARG  10   9.651  10.010  16.059
   83    HA   ARG  10           HA       ARG  10  10.999   7.417  16.191
   84    HB2  ARG  10           HB2      ARG  10   9.572   7.662  18.226
   85    HB3  ARG  10           HB3      ARG  10   8.174   7.835  17.175
   86    HG2  ARG  10           HG2      ARG  10   8.356   5.611  16.402
   87    HG3  ARG  10           HG3      ARG  10   9.961   5.424  17.109
   88    HD2  ARG  10           HD2      ARG  10   8.803   5.873  19.356
   89    HD3  ARG  10           HD3      ARG  10   7.301   5.554  18.490
   90    HE   ARG  10           HE       ARG  10   7.795   3.331  18.572
   91   HH11  ARG  10          HH11      ARG  10  10.735   5.139  19.031
   92   HH12  ARG  10          HH12      ARG  10  11.701   3.736  19.352
   93   HH21  ARG  10          HH21      ARG  10   9.056   1.478  18.994
   94   HH22  ARG  10          HH22      ARG  10  10.745   1.655  19.329
   95    H    CYS  11           H        CYS  11  10.951   6.564  14.228
   96    HA   CYS  11           HA       CYS  11   8.798   7.337  12.390
   97    HB2  CYS  11           HB2      CYS  11  11.448   6.009  11.779
   98    HB3  CYS  11           HB3      CYS  11  10.282   6.596  10.598
   99    H    VAL  12           H        VAL  12   7.394   5.889  11.569
  100    HA   VAL  12           HA       VAL  12   7.896   3.030  11.926
  101    HB   VAL  12           HB       VAL  12   5.504   2.748  12.716
  102   HG11  VAL  12          HG11      VAL  12   6.066   3.150  15.051
  103   HG12  VAL  12          HG12      VAL  12   7.445   2.467  14.187
  104   HG13  VAL  12          HG13      VAL  12   7.404   4.190  14.563
  105   HG21  VAL  12          HG21      VAL  12   5.772   5.666  13.423
  106   HG22  VAL  12          HG22      VAL  12   4.790   5.048  12.095
  107   HG23  VAL  12          HG23      VAL  12   4.400   4.610  13.759
  108    H    THR  13           H        THR  13   7.022   1.756  10.356
  109    HA   THR  13           HA       THR  13   5.949   3.122   8.034
  110    HB   THR  13           HB       THR  13   6.325   0.148   8.202
  111    HG1  THR  13           HG1      THR  13   8.291   2.150   8.231
  112   HG21  THR  13          HG21      THR  13   7.219   0.832   5.797
  113   HG22  THR  13          HG22      THR  13   6.184   2.231   6.083
  114   HG23  THR  13          HG23      THR  13   5.501   0.606   6.118
  115    H    TYR  14           H        TYR  14   3.843   3.404   7.762
  116    HA   TYR  14           HA       TYR  14   1.986   1.493   9.013
  117    HB2  TYR  14           HB2      TYR  14   1.709   4.417   8.342
  118    HB3  TYR  14           HB3      TYR  14   0.310   3.406   8.681
  119    HD1  TYR  14           HD1      TYR  14   2.151   5.803  10.128
  120    HD2  TYR  14           HD2      TYR  14   1.014   1.777  10.899
  121    HE1  TYR  14           HE1      TYR  14   2.470   6.181  12.537
  122    HE2  TYR  14           HE2      TYR  14   1.328   2.143  13.310
  123    HH   TYR  14           HH       TYR  14   2.246   3.551  14.855
  124    H    CYS  15           H        CYS  15   1.190   0.064   7.631
  125    HA   CYS  15           HA       CYS  15   0.601   0.944   4.880
  126    HB2  CYS  15           HB2      CYS  15   1.214  -1.888   5.728
  127    HB3  CYS  15           HB3      CYS  15   1.099  -1.259   4.088
  128    H    ARG  16           H        ARG  16  -1.445   0.801   4.218
  129    HA   ARG  16           HA       ARG  16  -3.484  -0.047   6.035
  130    HB2  ARG  16           HB2      ARG  16  -3.703   0.746   3.125
  131    HB3  ARG  16           HB3      ARG  16  -5.042   0.596   4.255
  132    HG2  ARG  16           HG2      ARG  16  -3.779   2.362   5.642
  133    HG3  ARG  16           HG3      ARG  16  -2.892   2.669   4.148
  134    HD2  ARG  16           HD2      ARG  16  -5.889   2.618   4.186
  135    HD3  ARG  16           HD3      ARG  16  -5.001   4.068   4.654
  136    HE   ARG  16           HE       ARG  16  -4.018   3.182   2.188
  137   HH11  ARG  16          HH11      ARG  16  -6.914   4.541   3.563
  138   HH12  ARG  16          HH12      ARG  16  -7.403   5.319   2.093
  139   HH21  ARG  16          HH21      ARG  16  -4.651   4.202   0.249
  140   HH22  ARG  16          HH22      ARG  16  -6.114   5.125   0.209
  141    H    GLY  17           H        GLY  17  -4.334  -2.009   6.255
  142    HA2  GLY  17           HA2      GLY  17  -4.666  -3.779   4.004
  143    HA3  GLY  17           HA3      GLY  17  -3.439  -4.319   5.140
  144    H    ARG  18           H        ARG  18  -6.708  -4.361   4.379
  145    HA   ARG  18           HA       ARG  18  -8.572  -5.158   5.415
  146    HB2  ARG  18           HB2      ARG  18  -6.572  -6.602   7.164
  147    HB3  ARG  18           HB3      ARG  18  -8.261  -7.036   6.933
  148    HG2  ARG  18           HG2      ARG  18  -7.704  -7.328   4.479
  149    HG3  ARG  18           HG3      ARG  18  -6.010  -7.222   4.959
  150    HD2  ARG  18           HD2      ARG  18  -7.856  -9.138   6.328
  151    HD3  ARG  18           HD3      ARG  18  -7.145  -9.549   4.767
  152    HE   ARG  18           HE       ARG  18  -5.133  -8.672   6.539
  153   HH11  ARG  18          HH11      ARG  18  -7.251 -11.372   5.952
  154   HH12  ARG  18          HH12      ARG  18  -6.182 -12.533   6.666
  155   HH21  ARG  18          HH21      ARG  18  -3.717 -10.192   7.482
  156   HH22  ARG  18          HH22      ARG  18  -4.173 -11.862   7.537
  157    HN1  NH2  19           H1       NH2  19  -8.156  -2.673   6.212
  158    HN2  NH2  19           H2       NH2  19  -8.432  -2.425   7.878
  Start of MODEL    5
    1    H    PCA   1           H        PCA   1   2.275  -0.611  -1.037
    2    HA   PCA   1           HA       PCA   1   2.757   1.583  -1.019
    3    HB2  PCA   1           HB2      PCA   1   0.343   2.973  -1.031
    4    HB3  PCA   1           HB3      PCA   1   0.964   2.218  -2.509
    5    HG2  PCA   1           HG2      PCA   1  -1.019   1.042  -0.488
    6    HG3  PCA   1           HG3      PCA   1  -1.125   1.032  -2.263
    7    H    CYS   2           H        CYS   2   3.384   2.542   0.667
    8    HA   CYS   2           HA       CYS   2   1.804   2.446   3.146
    9    HB2  CYS   2           HB2      CYS   2   4.799   2.056   3.035
   10    HB3  CYS   2           HB3      CYS   2   3.755   1.912   4.447
   11    H    ARG   3           H        ARG   3   2.935   3.950   4.843
   12    HA   ARG   3           HA       ARG   3   3.884   6.394   3.512
   13    HB2  ARG   3           HB2      ARG   3   1.709   6.207   5.601
   14    HB3  ARG   3           HB3      ARG   3   2.473   7.713   5.108
   15    HG2  ARG   3           HG2      ARG   3   1.175   5.929   3.088
   16    HG3  ARG   3           HG3      ARG   3   0.219   7.051   4.057
   17    HD2  ARG   3           HD2      ARG   3   1.994   8.794   3.282
   18    HD3  ARG   3           HD3      ARG   3   2.314   7.622   2.004
   19    HE   ARG   3           HE       ARG   3  -0.007   9.304   2.280
   20   HH11  ARG   3          HH11      ARG   3   1.286   6.388   0.882
   21   HH12  ARG   3          HH12      ARG   3   0.123   6.333  -0.401
   22   HH21  ARG   3          HH21      ARG   3  -1.543   9.242   0.595
   23   HH22  ARG   3          HH22      ARG   3  -1.485   7.957  -0.565
   24    H    ARG   4           H        ARG   4   5.575   7.347   4.476
   25    HA   ARG   4           HA       ARG   4   6.524   6.189   6.995
   26    HB2  ARG   4           HB2      ARG   4   7.922   6.416   4.787
   27    HB3  ARG   4           HB3      ARG   4   8.140   8.077   5.323
   28    HG2  ARG   4           HG2      ARG   4   9.386   7.465   7.160
   29    HG3  ARG   4           HG3      ARG   4   8.718   5.832   7.199
   30    HD2  ARG   4           HD2      ARG   4   9.996   5.187   5.289
   31    HD3  ARG   4           HD3      ARG   4  10.503   6.850   4.999
   32    HE   ARG   4           HE       ARG   4  11.325   6.003   7.568
   33   HH11  ARG   4          HH11      ARG   4  12.054   5.599   4.189
   34   HH12  ARG   4          HH12      ARG   4  13.725   5.231   4.460
   35   HH21  ARG   4          HH21      ARG   4  13.524   5.521   7.938
   36   HH22  ARG   4          HH22      ARG   4  14.560   5.186   6.593
   37    H    LEU   5           H        LEU   5   5.875   7.252   8.749
   38    HA   LEU   5           HA       LEU   5   6.054  10.190   8.736
   39    HB2  LEU   5           HB2      LEU   5   3.713   9.492   8.652
   40    HB3  LEU   5           HB3      LEU   5   3.952   8.507  10.094
   41    HG   LEU   5           HG       LEU   5   4.508  11.427  10.269
   42   HD11  LEU   5          HD11      LEU   5   2.464  11.804   9.354
   43   HD12  LEU   5          HD12      LEU   5   1.958  11.456  11.007
   44   HD13  LEU   5          HD13      LEU   5   1.854  10.203   9.770
   45   HD21  LEU   5          HD21      LEU   5   3.018  10.467  12.430
   46   HD22  LEU   5          HD22      LEU   5   4.749  10.804  12.387
   47   HD23  LEU   5          HD23      LEU   5   4.156   9.180  12.031
   48    H    CYS   6           H        CYS   6   7.190  11.064  10.358
   49    HA   CYS   6           HA       CYS   6   8.040   9.280  12.543
   50    HB2  CYS   6           HB2      CYS   6   9.476  11.704  11.441
   51    HB3  CYS   6           HB3      CYS   6  10.068  10.632  12.706
   52    H    TYR   7           H        TYR   7   7.364   9.765  14.519
   53    HA   TYR   7           HA       TYR   7   6.684  12.557  15.143
   54    HB2  TYR   7           HB2      TYR   7   4.731  10.782  14.709
   55    HB3  TYR   7           HB3      TYR   7   5.053  10.409  16.399
   56    HD1  TYR   7           HD1      TYR   7   4.878  13.581  14.419
   57    HD2  TYR   7           HD2      TYR   7   3.492  11.379  17.785
   58    HE1  TYR   7           HE1      TYR   7   3.496  15.499  15.098
   59    HE2  TYR   7           HE2      TYR   7   2.106  13.291  18.473
   60    HH   TYR   7           HH       TYR   7   1.035  15.435  16.936
   61    H    LYS   8           H        LYS   8   7.301  13.271  17.120
   62    HA   LYS   8           HA       LYS   8   8.540  13.357  19.031
   63    HB2  LYS   8           HB2      LYS   8   7.227  10.663  19.429
   64    HB3  LYS   8           HB3      LYS   8   8.070  11.558  20.686
   65    HG2  LYS   8           HG2      LYS   8   6.437  13.431  20.295
   66    HG3  LYS   8           HG3      LYS   8   5.528  12.316  19.273
   67    HD2  LYS   8           HD2      LYS   8   6.288  11.481  22.036
   68    HD3  LYS   8           HD3      LYS   8   4.930  12.586  21.811
   69    HE2  LYS   8           HE2      LYS   8   3.828  10.589  21.707
   70    HE3  LYS   8           HE3      LYS   8   4.228  10.798  20.003
   71    HZ1  LYS   8           HZ1      LYS   8   4.711   8.552  20.986
   72    HZ2  LYS   8           HZ2      LYS   8   5.955   9.282  21.871
   73    HZ3  LYS   8           HZ3      LYS   8   6.004   9.287  20.181
   74    H    GLN   9           H        GLN   9  10.003  12.538  16.814
   75    HA   GLN   9           HA       GLN   9  12.029  11.668  16.260
   76    HB2  GLN   9           HB2      GLN   9  12.374  10.945  19.165
   77    HB3  GLN   9           HB3      GLN   9  13.628  11.282  17.978
   78    HG2  GLN   9           HG2      GLN   9  11.689  13.254  19.164
   79    HG3  GLN   9           HG3      GLN   9  13.418  13.139  19.487
   80   HE21  GLN   9          HE21      GLN   9  11.693  15.302  18.367
   81   HE22  GLN   9          HE22      GLN   9  12.455  15.749  16.883
   82    H    ARG  10           H        ARG  10   9.716  10.010  16.109
   83    HA   ARG  10           HA       ARG  10  11.030   7.399  16.208
   84    HB2  ARG  10           HB2      ARG  10   9.674   7.541  18.250
   85    HB3  ARG  10           HB3      ARG  10   8.255   7.925  17.286
   86    HG2  ARG  10           HG2      ARG  10   8.207   5.759  16.329
   87    HG3  ARG  10           HG3      ARG  10   9.802   5.368  16.977
   88    HD2  ARG  10           HD2      ARG  10   7.644   6.129  18.878
   89    HD3  ARG  10           HD3      ARG  10   7.585   4.528  18.144
   90    HE   ARG  10           HE       ARG  10  10.162   5.072  19.203
   91   HH11  ARG  10          HH11      ARG  10   6.920   4.199  20.124
   92   HH12  ARG  10          HH12      ARG  10   7.412   3.383  21.572
   93   HH21  ARG  10          HH21      ARG  10  10.822   4.001  21.105
   94   HH22  ARG  10          HH22      ARG  10   9.632   3.272  22.129
   95    H    CYS  11           H        CYS  11  10.956   6.557  14.242
   96    HA   CYS  11           HA       CYS  11   8.812   7.385  12.418
   97    HB2  CYS  11           HB2      CYS  11  11.441   6.015  11.808
   98    HB3  CYS  11           HB3      CYS  11  10.276   6.588  10.620
   99    H    VAL  12           H        VAL  12   7.410   5.961  11.524
  100    HA   VAL  12           HA       VAL  12   7.831   3.095  11.899
  101    HB   VAL  12           HB       VAL  12   5.440   2.853  12.682
  102   HG11  VAL  12          HG11      VAL  12   7.290   2.518  14.200
  103   HG12  VAL  12          HG12      VAL  12   7.409   4.254  14.488
  104   HG13  VAL  12          HG13      VAL  12   5.988   3.364  15.035
  105   HG21  VAL  12          HG21      VAL  12   5.743   5.791  13.298
  106   HG22  VAL  12          HG22      VAL  12   4.698   5.114  12.049
  107   HG23  VAL  12          HG23      VAL  12   4.383   4.762  13.747
  108    H    THR  13           H        THR  13   6.988   1.862  10.293
  109    HA   THR  13           HA       THR  13   5.877   3.275   8.007
  110    HB   THR  13           HB       THR  13   6.398   0.317   8.077
  111    HG1  THR  13           HG1      THR  13   8.566   0.800   7.495
  112   HG21  THR  13          HG21      THR  13   5.486   2.045   6.124
  113   HG22  THR  13          HG22      THR  13   6.165   0.440   5.852
  114   HG23  THR  13          HG23      THR  13   7.198   1.866   5.744
  115    H    TYR  14           H        TYR  14   3.776   3.377   7.597
  116    HA   TYR  14           HA       TYR  14   2.008   1.356   8.814
  117    HB2  TYR  14           HB2      TYR  14   1.631   4.305   8.364
  118    HB3  TYR  14           HB3      TYR  14   0.246   3.234   8.549
  119    HD1  TYR  14           HD1      TYR  14   2.199   5.456  10.271
  120    HD2  TYR  14           HD2      TYR  14   0.661   1.507  10.655
  121    HE1  TYR  14           HE1      TYR  14   2.406   5.620  12.716
  122    HE2  TYR  14           HE2      TYR  14   0.863   1.661  13.102
  123    HH   TYR  14           HH       TYR  14   2.038   4.626  14.665
  124    H    CYS  15           H        CYS  15   1.178   0.005   7.381
  125    HA   CYS  15           HA       CYS  15   0.679   0.976   4.644
  126    HB2  CYS  15           HB2      CYS  15   1.113  -1.898   5.467
  127    HB3  CYS  15           HB3      CYS  15   1.073  -1.245   3.832
  128    H    ARG  16           H        ARG  16  -1.336   0.878   3.856
  129    HA   ARG  16           HA       ARG  16  -3.464   0.033   5.620
  130    HB2  ARG  16           HB2      ARG  16  -4.958   0.987   3.935
  131    HB3  ARG  16           HB3      ARG  16  -3.676   2.117   4.348
  132    HG2  ARG  16           HG2      ARG  16  -2.459   1.285   2.295
  133    HG3  ARG  16           HG3      ARG  16  -3.962   0.471   1.854
  134    HD2  ARG  16           HD2      ARG  16  -3.946   3.388   2.529
  135    HD3  ARG  16           HD3      ARG  16  -3.477   2.840   0.921
  136    HE   ARG  16           HE       ARG  16  -5.948   1.687   1.679
  137   HH11  ARG  16          HH11      ARG  16  -4.528   4.686   0.625
  138   HH12  ARG  16          HH12      ARG  16  -5.986   5.271  -0.104
  139   HH21  ARG  16          HH21      ARG  16  -7.874   2.446   0.722
  140   HH22  ARG  16          HH22      ARG  16  -7.889   3.996  -0.049
  141    H    GLY  17           H        GLY  17  -4.436  -1.885   5.583
  142    HA2  GLY  17           HA2      GLY  17  -4.665  -3.372   3.092
  143    HA3  GLY  17           HA3      GLY  17  -3.702  -4.133   4.349
  144    H    ARG  18           H        ARG  18  -6.408  -4.690   3.026
  145    HA   ARG  18           HA       ARG  18  -8.329  -4.473   5.134
  146    HB2  ARG  18           HB2      ARG  18  -8.279  -5.938   2.504
  147    HB3  ARG  18           HB3      ARG  18  -9.613  -6.119   3.636
  148    HG2  ARG  18           HG2      ARG  18  -9.973  -3.675   3.541
  149    HG3  ARG  18           HG3      ARG  18  -8.705  -3.570   2.319
  150    HD2  ARG  18           HD2      ARG  18  -9.964  -4.841   0.771
  151    HD3  ARG  18           HD3      ARG  18 -11.118  -5.337   2.008
  152    HE   ARG  18           HE       ARG  18 -12.266  -3.402   1.635
  153   HH11  ARG  18          HH11      ARG  18  -9.023  -3.024   0.425
  154   HH12  ARG  18          HH12      ARG  18  -9.326  -1.471  -0.279
  155   HH21  ARG  18          HH21      ARG  18 -12.678  -1.358   0.711
  156   HH22  ARG  18          HH22      ARG  18 -11.406  -0.523  -0.115
  157    HN1  NH2  19           H1       NH2  19  -7.261  -7.462   3.526
  158    HN2  NH2  19           H2       NH2  19  -7.125  -8.437   4.920
  Start of MODEL    6
    1    H    PCA   1           H        PCA   1   2.724  -0.586  -0.755
    2    HA   PCA   1           HA       PCA   1   1.995   1.538  -0.760
    3    HB2  PCA   1           HB2      PCA   1  -0.716   1.498  -0.123
    4    HB3  PCA   1           HB3      PCA   1  -0.156   1.035  -1.739
    5    HG2  PCA   1           HG2      PCA   1  -0.720  -0.801   0.651
    6    HG3  PCA   1           HG3      PCA   1  -1.212  -1.023  -1.043
    7    H    CYS   2           H        CYS   2   3.079   2.236   0.834
    8    HA   CYS   2           HA       CYS   2   1.907   2.228   3.515
    9    HB2  CYS   2           HB2      CYS   2   4.794   1.510   2.962
   10    HB3  CYS   2           HB3      CYS   2   4.057   1.680   4.551
   11    H    ARG   3           H        ARG   3   2.805   3.887   4.920
   12    HA   ARG   3           HA       ARG   3   3.980   6.121   3.399
   13    HB2  ARG   3           HB2      ARG   3   2.726   7.656   4.827
   14    HB3  ARG   3           HB3      ARG   3   1.640   6.554   3.991
   15    HG2  ARG   3           HG2      ARG   3   1.296   5.271   5.966
   16    HG3  ARG   3           HG3      ARG   3   2.570   6.143   6.821
   17    HD2  ARG   3           HD2      ARG   3   0.079   7.453   5.748
   18    HD3  ARG   3           HD3      ARG   3   0.223   6.834   7.392
   19    HE   ARG   3           HE       ARG   3   2.309   8.670   6.664
   20   HH11  ARG   3          HH11      ARG   3  -0.925   8.362   7.916
   21   HH12  ARG   3          HH12      ARG   3  -0.890   9.884   8.742
   22   HH21  ARG   3          HH21      ARG   3   2.367  10.677   7.747
   23   HH22  ARG   3          HH22      ARG   3   0.983  11.200   8.645
   24    H    ARG   4           H        ARG   4   5.294   7.618   4.642
   25    HA   ARG   4           HA       ARG   4   6.595   6.307   6.939
   26    HB2  ARG   4           HB2      ARG   4   7.846   6.677   4.651
   27    HB3  ARG   4           HB3      ARG   4   8.024   8.320   5.252
   28    HG2  ARG   4           HG2      ARG   4   9.313   7.633   7.083
   29    HG3  ARG   4           HG3      ARG   4   8.841   5.944   6.887
   30    HD2  ARG   4           HD2      ARG   4  10.097   5.800   4.823
   31    HD3  ARG   4           HD3      ARG   4  10.499   7.514   4.917
   32    HE   ARG   4           HE       ARG   4  11.383   6.229   7.254
   33   HH11  ARG   4          HH11      ARG   4  12.095   6.405   3.851
   34   HH12  ARG   4          HH12      ARG   4  13.776   6.036   4.051
   35   HH21  ARG   4          HH21      ARG   4  13.594   5.743   7.530
   36   HH22  ARG   4          HH22      ARG   4  14.628   5.659   6.144
   37    H    LEU   5           H        LEU   5   5.875   7.295   8.720
   38    HA   LEU   5           HA       LEU   5   5.976  10.236   8.792
   39    HB2  LEU   5           HB2      LEU   5   3.659   9.562   8.713
   40    HB3  LEU   5           HB3      LEU   5   3.912   8.428  10.038
   41    HG   LEU   5           HG       LEU   5   4.571  10.598  11.359
   42   HD11  LEU   5          HD11      LEU   5   3.675  11.657   8.858
   43   HD12  LEU   5          HD12      LEU   5   4.308  12.507  10.268
   44   HD13  LEU   5          HD13      LEU   5   2.582  12.168  10.145
   45   HD21  LEU   5          HD21      LEU   5   1.670  10.571  10.957
   46   HD22  LEU   5          HD22      LEU   5   2.619  10.296  12.419
   47   HD23  LEU   5          HD23      LEU   5   2.376   8.984  11.265
   48    H    CYS   6           H        CYS   6   7.131  11.082  10.410
   49    HA   CYS   6           HA       CYS   6   8.016   9.267  12.556
   50    HB2  CYS   6           HB2      CYS   6   9.424  11.719  11.478
   51    HB3  CYS   6           HB3      CYS   6  10.035  10.637  12.725
   52    H    TYR   7           H        TYR   7   7.353   9.714  14.545
   53    HA   TYR   7           HA       TYR   7   6.640  12.489  15.214
   54    HB2  TYR   7           HB2      TYR   7   4.716  10.681  14.799
   55    HB3  TYR   7           HB3      TYR   7   5.080  10.290  16.476
   56    HD1  TYR   7           HD1      TYR   7   4.812  13.494  14.560
   57    HD2  TYR   7           HD2      TYR   7   3.513  11.197  17.898
   58    HE1  TYR   7           HE1      TYR   7   3.407  15.372  15.298
   59    HE2  TYR   7           HE2      TYR   7   2.103  13.068  18.644
   60    HH   TYR   7           HH       TYR   7   1.411  15.746  16.677
   61    H    LYS   8           H        LYS   8   7.274  13.196  17.189
   62    HA   LYS   8           HA       LYS   8   8.552  13.292  19.073
   63    HB2  LYS   8           HB2      LYS   8   7.543  10.502  19.617
   64    HB3  LYS   8           HB3      LYS   8   8.014  11.724  20.790
   65    HG2  LYS   8           HG2      LYS   8   6.095  13.086  20.158
   66    HG3  LYS   8           HG3      LYS   8   5.628  11.879  18.957
   67    HD2  LYS   8           HD2      LYS   8   4.279  11.307  20.739
   68    HD3  LYS   8           HD3      LYS   8   5.669  10.250  20.997
   69    HE2  LYS   8           HE2      LYS   8   5.571  12.961  22.260
   70    HE3  LYS   8           HE3      LYS   8   4.705  11.610  22.989
   71    HZ1  LYS   8           HZ1      LYS   8   7.431  12.226  23.173
   72    HZ2  LYS   8           HZ2      LYS   8   7.288  10.749  22.361
   73    HZ3  LYS   8           HZ3      LYS   8   6.595  10.941  23.891
   74    H    GLN   9           H        GLN   9   9.988  12.518  16.823
   75    HA   GLN   9           HA       GLN   9  12.020  11.690  16.226
   76    HB2  GLN   9           HB2      GLN   9  12.406  10.975  19.131
   77    HB3  GLN   9           HB3      GLN   9  13.650  11.279  17.926
   78    HG2  GLN   9           HG2      GLN   9  13.096  13.605  17.848
   79    HG3  GLN   9           HG3      GLN   9  11.694  13.352  18.886
   80   HE21  GLN   9          HE21      GLN   9  13.490  15.232  19.582
   81   HE22  GLN   9          HE22      GLN   9  14.403  14.722  20.957
   82    H    ARG  10           H        ARG  10   9.735   9.993  16.098
   83    HA   ARG  10           HA       ARG  10  11.097   7.405  16.147
   84    HB2  ARG  10           HB2      ARG  10   9.683   7.656  18.221
   85    HB3  ARG  10           HB3      ARG  10   8.276   7.740  17.169
   86    HG2  ARG  10           HG2      ARG  10   8.999   5.493  16.253
   87    HG3  ARG  10           HG3      ARG  10  10.133   5.423  17.604
   88    HD2  ARG  10           HD2      ARG  10   7.238   6.001  18.090
   89    HD3  ARG  10           HD3      ARG  10   7.780   4.342  17.838
   90    HE   ARG  10           HE       ARG  10   8.109   5.897  20.190
   91   HH11  ARG  10          HH11      ARG  10   9.672   3.484  18.229
   92   HH12  ARG  10          HH12      ARG  10  10.582   2.816  19.545
   93   HH21  ARG  10          HH21      ARG  10   9.300   5.028  21.930
   94   HH22  ARG  10          HH22      ARG  10  10.368   3.694  21.649
   95    H    CYS  11           H        CYS  11  11.006   6.590  14.171
   96    HA   CYS  11           HA       CYS  11   8.833   7.412  12.384
   97    HB2  CYS  11           HB2      CYS  11  11.463   6.050  11.761
   98    HB3  CYS  11           HB3      CYS  11  10.275   6.573  10.570
   99    H    VAL  12           H        VAL  12   7.412   5.996  11.503
  100    HA   VAL  12           HA       VAL  12   7.820   3.128  11.867
  101    HB   VAL  12           HB       VAL  12   5.424   2.913  12.674
  102   HG11  VAL  12          HG11      VAL  12   7.373   2.553  14.118
  103   HG12  VAL  12          HG12      VAL  12   7.387   4.271  14.520
  104   HG13  VAL  12          HG13      VAL  12   6.024   3.261  15.005
  105   HG21  VAL  12          HG21      VAL  12   4.930   5.347  12.068
  106   HG22  VAL  12          HG22      VAL  12   4.300   4.750  13.603
  107   HG23  VAL  12          HG23      VAL  12   5.746   5.759  13.576
  108    H    THR  13           H        THR  13   6.915   1.895  10.287
  109    HA   THR  13           HA       THR  13   5.820   3.314   8.001
  110    HB   THR  13           HB       THR  13   6.136   0.344   8.023
  111    HG1  THR  13           HG1      THR  13   8.322   0.485   7.878
  112   HG21  THR  13          HG21      THR  13   5.552   0.875   5.906
  113   HG22  THR  13          HG22      THR  13   7.259   1.291   5.742
  114   HG23  THR  13          HG23      THR  13   6.071   2.551   6.076
  115    H    TYR  14           H        TYR  14   3.715   3.535   7.674
  116    HA   TYR  14           HA       TYR  14   1.870   1.693   9.033
  117    HB2  TYR  14           HB2      TYR  14   1.575   4.537   8.089
  118    HB3  TYR  14           HB3      TYR  14   0.174   3.544   8.475
  119    HD1  TYR  14           HD1      TYR  14   2.617   5.756   9.770
  120    HD2  TYR  14           HD2      TYR  14   0.161   2.449  10.835
  121    HE1  TYR  14           HE1      TYR  14   2.862   6.346  12.144
  122    HE2  TYR  14           HE2      TYR  14   0.399   3.030  13.212
  123    HH   TYR  14           HH       TYR  14   1.388   5.915  14.309
  124    H    CYS  15           H        CYS  15   0.858   0.227   7.849
  125    HA   CYS  15           HA       CYS  15   0.419   0.777   4.988
  126    HB2  CYS  15           HB2      CYS  15   0.967  -1.945   6.181
  127    HB3  CYS  15           HB3      CYS  15   0.837  -1.537   4.473
  128    H    ARG  16           H        ARG  16  -1.633   0.706   4.359
  129    HA   ARG  16           HA       ARG  16  -3.703   0.018   6.215
  130    HB2  ARG  16           HB2      ARG  16  -3.746   0.869   3.320
  131    HB3  ARG  16           HB3      ARG  16  -5.206   0.520   4.237
  132    HG2  ARG  16           HG2      ARG  16  -3.270   2.469   5.366
  133    HG3  ARG  16           HG3      ARG  16  -4.276   2.968   4.003
  134    HD2  ARG  16           HD2      ARG  16  -5.362   1.739   6.530
  135    HD3  ARG  16           HD3      ARG  16  -5.225   3.477   6.268
  136    HE   ARG  16           HE       ARG  16  -6.628   2.456   4.111
  137   HH11  ARG  16          HH11      ARG  16  -7.020   2.676   7.563
  138   HH12  ARG  16          HH12      ARG  16  -8.751   2.722   7.494
  139   HH21  ARG  16          HH21      ARG  16  -8.905   2.516   4.007
  140   HH22  ARG  16          HH22      ARG  16  -9.821   2.629   5.471
  141    H    GLY  17           H        GLY  17  -4.640  -1.897   6.499
  142    HA2  GLY  17           HA2      GLY  17  -4.462  -3.874   4.312
  143    HA3  GLY  17           HA3      GLY  17  -4.121  -4.318   5.978
  144    H    ARG  18           H        ARG  18  -6.703  -2.479   4.342
  145    HA   ARG  18           HA       ARG  18  -8.667  -4.428   5.227
  146    HB2  ARG  18           HB2      ARG  18  -8.383  -2.771   7.103
  147    HB3  ARG  18           HB3      ARG  18  -8.968  -1.527   6.006
  148    HG2  ARG  18           HG2      ARG  18 -10.629  -3.960   6.386
  149    HG3  ARG  18           HG3      ARG  18 -10.576  -2.764   7.682
  150    HD2  ARG  18           HD2      ARG  18 -11.036  -1.064   5.769
  151    HD3  ARG  18           HD3      ARG  18 -11.588  -2.485   4.881
  152    HE   ARG  18           HE       ARG  18 -12.795  -2.383   7.439
  153   HH11  ARG  18          HH11      ARG  18 -12.895  -0.886   4.298
  154   HH12  ARG  18          HH12      ARG  18 -14.563  -0.434   4.422
  155   HH21  ARG  18          HH21      ARG  18 -14.991  -1.793   7.615
  156   HH22  ARG  18          HH22      ARG  18 -15.754  -0.950   6.310
  157    HN1  NH2  19           H1       NH2  19 -10.261  -4.652   3.776
  158    HN2  NH2  19           H2       NH2  19 -10.626  -3.610   2.472
  Start of MODEL    7
    1    H    PCA   1           H        PCA   1   1.724   0.053  -0.662
    2    HA   PCA   1           HA       PCA   1   1.145   2.224  -0.665
    3    HB2  PCA   1           HB2      PCA   1  -1.450   2.404   0.330
    4    HB3  PCA   1           HB3      PCA   1  -1.148   1.843  -1.324
    5    HG2  PCA   1           HG2      PCA   1  -1.503   0.140   1.200
    6    HG3  PCA   1           HG3      PCA   1  -2.235  -0.105  -0.400
    7    H    CYS   2           H        CYS   2   2.771   2.147   0.844
    8    HA   CYS   2           HA       CYS   2   1.923   2.406   3.654
    9    HB2  CYS   2           HB2      CYS   2   4.665   1.691   2.593
   10    HB3  CYS   2           HB3      CYS   2   4.189   1.758   4.287
   11    H    ARG   3           H        ARG   3   2.759   4.098   4.902
   12    HA   ARG   3           HA       ARG   3   4.067   6.256   3.381
   13    HB2  ARG   3           HB2      ARG   3   1.982   6.619   5.540
   14    HB3  ARG   3           HB3      ARG   3   2.750   7.892   4.599
   15    HG2  ARG   3           HG2      ARG   3   1.744   6.688   2.556
   16    HG3  ARG   3           HG3      ARG   3   0.708   5.884   3.737
   17    HD2  ARG   3           HD2      ARG   3  -0.374   7.832   4.315
   18    HD3  ARG   3           HD3      ARG   3   0.979   8.851   3.826
   19    HE   ARG   3           HE       ARG   3  -1.197   7.966   2.186
   20   HH11  ARG   3          HH11      ARG   3   2.137   8.970   2.180
   21   HH12  ARG   3          HH12      ARG   3   2.107   9.507   0.534
   22   HH21  ARG   3          HH21      ARG   3  -1.248   8.670   0.016
   23   HH22  ARG   3          HH22      ARG   3   0.182   9.337  -0.696
   24    H    ARG   4           H        ARG   4   5.668   7.396   4.405
   25    HA   ARG   4           HA       ARG   4   6.632   6.230   6.914
   26    HB2  ARG   4           HB2      ARG   4   8.014   6.587   4.681
   27    HB3  ARG   4           HB3      ARG   4   8.232   8.201   5.345
   28    HG2  ARG   4           HG2      ARG   4   9.124   7.165   7.419
   29    HG3  ARG   4           HG3      ARG   4   9.030   5.594   6.619
   30    HD2  ARG   4           HD2      ARG   4  10.651   6.204   5.017
   31    HD3  ARG   4           HD3      ARG   4  10.538   7.911   5.440
   32    HE   ARG   4           HE       ARG   4  11.382   6.725   7.734
   33   HH11  ARG   4          HH11      ARG   4  12.516   6.735   4.443
   34   HH12  ARG   4          HH12      ARG   4  14.180   6.527   4.878
   35   HH21  ARG   4          HH21      ARG   4  13.569   6.451   8.320
   36   HH22  ARG   4          HH22      ARG   4  14.778   6.364   7.084
   37    H    LEU   5           H        LEU   5   5.931   7.247   8.675
   38    HA   LEU   5           HA       LEU   5   6.034  10.188   8.713
   39    HB2  LEU   5           HB2      LEU   5   3.706   9.285   8.591
   40    HB3  LEU   5           HB3      LEU   5   3.989   8.502  10.145
   41    HG   LEU   5           HG       LEU   5   4.378  11.449   9.947
   42   HD11  LEU   5          HD11      LEU   5   2.164  10.689   8.824
   43   HD12  LEU   5          HD12      LEU   5   2.135  11.986  10.018
   44   HD13  LEU   5          HD13      LEU   5   1.649  10.354  10.478
   45   HD21  LEU   5          HD21      LEU   5   3.850   9.399  12.004
   46   HD22  LEU   5          HD22      LEU   5   3.075  10.966  12.243
   47   HD23  LEU   5          HD23      LEU   5   4.829  10.863  12.083
   48    H    CYS   6           H        CYS   6   7.149  11.056  10.349
   49    HA   CYS   6           HA       CYS   6   8.007   9.261  12.522
   50    HB2  CYS   6           HB2      CYS   6   9.405  11.734  11.482
   51    HB3  CYS   6           HB3      CYS   6  10.006  10.643  12.725
   52    H    TYR   7           H        TYR   7   7.297   9.702  14.496
   53    HA   TYR   7           HA       TYR   7   6.542  12.469  15.148
   54    HB2  TYR   7           HB2      TYR   7   4.642  10.650  14.683
   55    HB3  TYR   7           HB3      TYR   7   4.967  10.256  16.368
   56    HD1  TYR   7           HD1      TYR   7   4.721  13.462  14.452
   57    HD2  TYR   7           HD2      TYR   7   3.362  11.150  17.755
   58    HE1  TYR   7           HE1      TYR   7   3.284  15.329  15.160
   59    HE2  TYR   7           HE2      TYR   7   1.920  13.009  18.471
   60    HH   TYR   7           HH       TYR   7   2.242  15.989  17.698
   61    H    LYS   8           H        LYS   8   7.114  13.179  17.142
   62    HA   LYS   8           HA       LYS   8   8.344  13.281  19.058
   63    HB2  LYS   8           HB2      LYS   8   7.298  10.488  19.532
   64    HB3  LYS   8           HB3      LYS   8   7.814  11.650  20.747
   65    HG2  LYS   8           HG2      LYS   8   5.922  13.130  19.789
   66    HG3  LYS   8           HG3      LYS   8   5.320  11.619  19.104
   67    HD2  LYS   8           HD2      LYS   8   5.976  11.971  22.023
   68    HD3  LYS   8           HD3      LYS   8   4.368  12.248  21.350
   69    HE2  LYS   8           HE2      LYS   8   5.776   9.667  20.818
   70    HE3  LYS   8           HE3      LYS   8   4.989   9.925  22.374
   71    HZ1  LYS   8           HZ1      LYS   8   2.990  10.612  20.921
   72    HZ2  LYS   8           HZ2      LYS   8   3.331   8.968  21.121
   73    HZ3  LYS   8           HZ3      LYS   8   3.782   9.757  19.695
   74    H    GLN   9           H        GLN   9   9.840  12.522  16.839
   75    HA   GLN   9           HA       GLN   9  11.895  11.717  16.290
   76    HB2  GLN   9           HB2      GLN   9  12.247  10.974  19.190
   77    HB3  GLN   9           HB3      GLN   9  13.494  11.364  18.013
   78    HG2  GLN   9           HG2      GLN   9  12.360  13.677  17.917
   79    HG3  GLN   9           HG3      GLN   9  11.608  13.193  19.436
   80   HE21  GLN   9          HE21      GLN   9  12.663  14.711  20.664
   81   HE22  GLN   9          HE22      GLN   9  14.357  14.643  20.996
   82    H    ARG  10           H        ARG  10   9.631   9.995  16.109
   83    HA   ARG  10           HA       ARG  10  11.019   7.421  16.194
   84    HB2  ARG  10           HB2      ARG  10   9.666   7.466  18.223
   85    HB3  ARG  10           HB3      ARG  10   8.239   7.888  17.285
   86    HG2  ARG  10           HG2      ARG  10   8.173   5.555  17.859
   87    HG3  ARG  10           HG3      ARG  10   8.402   5.726  16.117
   88    HD2  ARG  10           HD2      ARG  10  10.867   5.442  16.522
   89    HD3  ARG  10           HD3      ARG  10  10.472   5.025  18.189
   90    HE   ARG  10           HE       ARG  10   8.942   3.318  16.774
   91   HH11  ARG  10          HH11      ARG  10  12.324   4.133  16.638
   92   HH12  ARG  10          HH12      ARG  10  12.814   2.564  16.089
   93   HH21  ARG  10          HH21      ARG  10   9.575   1.249  16.051
   94   HH22  ARG  10          HH22      ARG  10  11.250   0.925  15.755
   95    H    CYS  11           H        CYS  11  10.980   6.595  14.220
   96    HA   CYS  11           HA       CYS  11   8.818   7.371  12.394
   97    HB2  CYS  11           HB2      CYS  11  11.483   6.088  11.753
   98    HB3  CYS  11           HB3      CYS  11  10.311   6.697  10.588
   99    H    VAL  12           H        VAL  12   7.429   5.920  11.558
  100    HA   VAL  12           HA       VAL  12   7.983   3.064  11.814
  101    HB   VAL  12           HB       VAL  12   5.677   2.667  12.718
  102   HG11  VAL  12          HG11      VAL  12   7.768   2.615  14.090
  103   HG12  VAL  12          HG12      VAL  12   7.422   4.277  14.571
  104   HG13  VAL  12          HG13      VAL  12   6.304   2.983  14.999
  105   HG21  VAL  12          HG21      VAL  12   4.430   4.418  13.713
  106   HG22  VAL  12          HG22      VAL  12   5.750   5.571  13.506
  107   HG23  VAL  12          HG23      VAL  12   4.868   4.979  12.098
  108    H    THR  13           H        THR  13   7.032   1.820  10.254
  109    HA   THR  13           HA       THR  13   5.874   3.248   8.012
  110    HB   THR  13           HB       THR  13   6.228   0.270   8.081
  111    HG1  THR  13           HG1      THR  13   8.352   0.453   8.019
  112   HG21  THR  13          HG21      THR  13   6.677   2.289   5.881
  113   HG22  THR  13          HG22      THR  13   5.161   1.422   6.139
  114   HG23  THR  13          HG23      THR  13   6.627   0.533   5.725
  115    H    TYR  14           H        TYR  14   3.762   3.518   7.777
  116    HA   TYR  14           HA       TYR  14   1.939   1.637   9.117
  117    HB2  TYR  14           HB2      TYR  14   1.775   4.554   8.488
  118    HB3  TYR  14           HB3      TYR  14   0.283   3.625   8.580
  119    HD1  TYR  14           HD1      TYR  14   2.698   5.441  10.428
  120    HD2  TYR  14           HD2      TYR  14  -0.052   2.209  10.737
  121    HE1  TYR  14           HE1      TYR  14   2.717   5.665  12.877
  122    HE2  TYR  14           HE2      TYR  14  -0.042   2.425  13.187
  123    HH   TYR  14           HH       TYR  14   0.575   4.680  14.831
  124    H    CYS  15           H        CYS  15   1.138   0.150   7.800
  125    HA   CYS  15           HA       CYS  15   0.493   0.923   5.029
  126    HB2  CYS  15           HB2      CYS  15   1.147  -1.849   6.047
  127    HB3  CYS  15           HB3      CYS  15   0.880  -1.380   4.371
  128    H    ARG  16           H        ARG  16  -1.560   0.757   4.385
  129    HA   ARG  16           HA       ARG  16  -3.531  -0.216   6.290
  130    HB2  ARG  16           HB2      ARG  16  -5.178   0.818   4.808
  131    HB3  ARG  16           HB3      ARG  16  -3.897   1.953   5.210
  132    HG2  ARG  16           HG2      ARG  16  -2.833   1.443   3.027
  133    HG3  ARG  16           HG3      ARG  16  -4.231   0.440   2.630
  134    HD2  ARG  16           HD2      ARG  16  -4.626   2.542   1.626
  135    HD3  ARG  16           HD3      ARG  16  -5.657   2.481   3.056
  136    HE   ARG  16           HE       ARG  16  -3.421   3.700   3.963
  137   HH11  ARG  16          HH11      ARG  16  -5.517   4.272   1.243
  138   HH12  ARG  16          HH12      ARG  16  -5.238   5.982   1.222
  139   HH21  ARG  16          HH21      ARG  16  -3.047   5.950   3.946
  140   HH22  ARG  16          HH22      ARG  16  -3.832   6.936   2.759
  141    H    GLY  17           H        GLY  17  -4.471  -2.147   6.167
  142    HA2  GLY  17           HA2      GLY  17  -5.479  -3.458   4.002
  143    HA3  GLY  17           HA3      GLY  17  -3.791  -3.950   4.028
  144    H    ARG  18           H        ARG  18  -3.010  -4.791   6.187
  145    HA   ARG  18           HA       ARG  18  -5.055  -6.611   7.243
  146    HB2  ARG  18           HB2      ARG  18  -2.044  -6.770   7.472
  147    HB3  ARG  18           HB3      ARG  18  -3.189  -7.990   8.013
  148    HG2  ARG  18           HG2      ARG  18  -2.769  -7.125   5.160
  149    HG3  ARG  18           HG3      ARG  18  -2.143  -8.601   5.897
  150    HD2  ARG  18           HD2      ARG  18  -4.537  -9.203   6.425
  151    HD3  ARG  18           HD3      ARG  18  -5.015  -7.856   5.394
  152    HE   ARG  18           HE       ARG  18  -3.349  -9.315   3.823
  153   HH11  ARG  18          HH11      ARG  18  -6.205 -10.053   5.671
  154   HH12  ARG  18          HH12      ARG  18  -6.723 -11.321   4.611
  155   HH21  ARG  18          HH21      ARG  18  -4.020 -10.982   2.418
  156   HH22  ARG  18          HH22      ARG  18  -5.478 -11.849   2.760
  157    HN1  NH2  19           H1       NH2  19  -5.874  -6.261   9.192
  158    HN2  NH2  19           H2       NH2  19  -5.191  -5.366  10.476
  Start of MODEL    8
    1    H    PCA   1           H        PCA   1   2.280   0.029  -0.794
    2    HA   PCA   1           HA       PCA   1   1.115   1.932  -0.533
    3    HB2  PCA   1           HB2      PCA   1  -1.347   1.262   0.585
    4    HB3  PCA   1           HB3      PCA   1  -1.020   0.971  -1.132
    5    HG2  PCA   1           HG2      PCA   1  -0.696  -0.991   1.202
    6    HG3  PCA   1           HG3      PCA   1  -1.444  -1.286  -0.384
    7    H    CYS   2           H        CYS   2   2.682   2.394   0.875
    8    HA   CYS   2           HA       CYS   2   1.914   2.339   3.708
    9    HB2  CYS   2           HB2      CYS   2   4.739   1.836   2.760
   10    HB3  CYS   2           HB3      CYS   2   4.135   1.745   4.411
   11    H    ARG   3           H        ARG   3   3.038   3.972   5.008
   12    HA   ARG   3           HA       ARG   3   4.075   6.225   3.433
   13    HB2  ARG   3           HB2      ARG   3   2.764   7.779   4.871
   14    HB3  ARG   3           HB3      ARG   3   1.764   6.766   3.839
   15    HG2  ARG   3           HG2      ARG   3   1.047   5.446   5.629
   16    HG3  ARG   3           HG3      ARG   3   2.344   6.017   6.681
   17    HD2  ARG   3           HD2      ARG   3   0.226   7.025   7.315
   18    HD3  ARG   3           HD3      ARG   3   1.336   8.250   6.702
   19    HE   ARG   3           HE       ARG   3  -0.161   7.461   4.536
   20   HH11  ARG   3          HH11      ARG   3  -0.800   8.831   7.673
   21   HH12  ARG   3          HH12      ARG   3  -2.222   9.674   7.159
   22   HH21  ARG   3          HH21      ARG   3  -2.032   8.569   3.847
   23   HH22  ARG   3          HH22      ARG   3  -2.924   9.524   4.982
   24    H    ARG   4           H        ARG   4   5.560   7.550   4.490
   25    HA   ARG   4           HA       ARG   4   6.702   6.371   6.926
   26    HB2  ARG   4           HB2      ARG   4   8.074   6.666   4.776
   27    HB3  ARG   4           HB3      ARG   4   8.053   8.385   5.143
   28    HG2  ARG   4           HG2      ARG   4   8.948   7.597   7.469
   29    HG3  ARG   4           HG3      ARG   4   9.426   6.159   6.564
   30    HD2  ARG   4           HD2      ARG   4  10.795   7.431   5.101
   31    HD3  ARG   4           HD3      ARG   4  10.130   8.952   5.695
   32    HE   ARG   4           HE       ARG   4  11.605   8.874   7.443
   33   HH11  ARG   4          HH11      ARG   4  11.430   5.731   5.956
   34   HH12  ARG   4          HH12      ARG   4  12.743   5.077   6.880
   35   HH21  ARG   4          HH21      ARG   4  13.334   8.025   8.665
   36   HH22  ARG   4          HH22      ARG   4  13.824   6.383   8.420
   37    H    LEU   5           H        LEU   5   5.889   7.327   8.686
   38    HA   LEU   5           HA       LEU   5   5.921  10.269   8.782
   39    HB2  LEU   5           HB2      LEU   5   3.629   8.969   8.693
   40    HB3  LEU   5           HB3      LEU   5   3.954   8.737  10.410
   41    HG   LEU   5           HG       LEU   5   3.986  11.480   9.199
   42   HD11  LEU   5          HD11      LEU   5   1.567  11.515  10.179
   43   HD12  LEU   5          HD12      LEU   5   1.628   9.781   9.869
   44   HD13  LEU   5          HD13      LEU   5   1.855  10.921   8.543
   45   HD21  LEU   5          HD21      LEU   5   4.213  10.306  11.834
   46   HD22  LEU   5          HD22      LEU   5   2.916  11.498  11.758
   47   HD23  LEU   5          HD23      LEU   5   4.558  11.950  11.297
   48    H    CYS   6           H        CYS   6   7.294  10.990  10.257
   49    HA   CYS   6           HA       CYS   6   8.019   9.233  12.498
   50    HB2  CYS   6           HB2      CYS   6   9.487  11.648  11.417
   51    HB3  CYS   6           HB3      CYS   6  10.059  10.568  12.685
   52    H    TYR   7           H        TYR   7   7.356   9.720  14.479
   53    HA   TYR   7           HA       TYR   7   6.668  12.511  15.100
   54    HB2  TYR   7           HB2      TYR   7   4.734  10.693  14.693
   55    HB3  TYR   7           HB3      TYR   7   5.056  10.379  16.395
   56    HD1  TYR   7           HD1      TYR   7   4.823  13.469  14.294
   57    HD2  TYR   7           HD2      TYR   7   3.508  11.387  17.764
   58    HE1  TYR   7           HE1      TYR   7   3.419  15.393  14.909
   59    HE2  TYR   7           HE2      TYR   7   2.099  13.305  18.388
   60    HH   TYR   7           HH       TYR   7   1.297  15.750  16.305
   61    H    LYS   8           H        LYS   8   7.290  13.236  17.072
   62    HA   LYS   8           HA       LYS   8   8.543  13.338  18.973
   63    HB2  LYS   8           HB2      LYS   8   7.504  10.567  19.552
   64    HB3  LYS   8           HB3      LYS   8   7.946  11.820  20.705
   65    HG2  LYS   8           HG2      LYS   8   6.022  13.145  19.489
   66    HG3  LYS   8           HG3      LYS   8   5.477  11.517  19.081
   67    HD2  LYS   8           HD2      LYS   8   6.226  12.160  21.901
   68    HD3  LYS   8           HD3      LYS   8   4.654  12.667  21.278
   69    HE2  LYS   8           HE2      LYS   8   5.573   9.847  20.905
   70    HE3  LYS   8           HE3      LYS   8   4.907  10.356  22.456
   71    HZ1  LYS   8           HZ1      LYS   8   3.251  11.262  20.358
   72    HZ2  LYS   8           HZ2      LYS   8   2.874  10.213  21.630
   73    HZ3  LYS   8           HZ3      LYS   8   3.508   9.599  20.187
   74    H    GLN   9           H        GLN   9   9.995  12.511  16.750
   75    HA   GLN   9           HA       GLN   9  12.023  11.647  16.191
   76    HB2  GLN   9           HB2      GLN   9  12.381  10.940  19.099
   77    HB3  GLN   9           HB3      GLN   9  13.630  11.268  17.905
   78    HG2  GLN   9           HG2      GLN   9  12.986  13.595  17.820
   79    HG3  GLN   9           HG3      GLN   9  11.656  13.292  18.936
   80   HE21  GLN   9          HE21      GLN   9  12.383  14.697  20.491
   81   HE22  GLN   9          HE22      GLN   9  13.798  14.404  21.438
   82    H    ARG  10           H        ARG  10   9.716   9.981  16.055
   83    HA   ARG  10           HA       ARG  10  11.038   7.374  16.161
   84    HB2  ARG  10           HB2      ARG  10   9.685   7.522  18.205
   85    HB3  ARG  10           HB3      ARG  10   8.262   7.896  17.240
   86    HG2  ARG  10           HG2      ARG  10   8.073   5.742  16.438
   87    HG3  ARG  10           HG3      ARG  10   9.771   5.371  16.741
   88    HD2  ARG  10           HD2      ARG  10   9.069   5.771  19.244
   89    HD3  ARG  10           HD3      ARG  10   7.461   5.398  18.623
   90    HE   ARG  10           HE       ARG  10   8.090   3.206  18.407
   91   HH11  ARG  10          HH11      ARG  10  10.926   5.174  18.849
   92   HH12  ARG  10          HH12      ARG  10  11.996   3.823  19.026
   93   HH21  ARG  10          HH21      ARG  10   9.487   1.418  18.640
   94   HH22  ARG  10          HH22      ARG  10  11.176   1.687  18.906
   95    H    CYS  11           H        CYS  11  10.966   6.529  14.197
   96    HA   CYS  11           HA       CYS  11   8.826   7.351  12.367
   97    HB2  CYS  11           HB2      CYS  11  11.457   5.971  11.791
   98    HB3  CYS  11           HB3      CYS  11  10.289   6.492  10.581
   99    H    VAL  12           H        VAL  12   7.367   5.950  11.560
  100    HA   VAL  12           HA       VAL  12   7.772   3.077  11.931
  101    HB   VAL  12           HB       VAL  12   5.407   2.850  12.747
  102   HG11  VAL  12          HG11      VAL  12   7.392   4.313  14.480
  103   HG12  VAL  12          HG12      VAL  12   5.955   3.489  15.087
  104   HG13  VAL  12          HG13      VAL  12   7.229   2.569  14.287
  105   HG21  VAL  12          HG21      VAL  12   4.595   5.046  12.057
  106   HG22  VAL  12          HG22      VAL  12   4.356   4.799  13.787
  107   HG23  VAL  12          HG23      VAL  12   5.677   5.819  13.216
  108    H    THR  13           H        THR  13   7.008   1.877  10.285
  109    HA   THR  13           HA       THR  13   5.844   3.276   8.024
  110    HB   THR  13           HB       THR  13   6.300   0.329   7.971
  111    HG1  THR  13           HG1      THR  13   8.489   2.042   7.534
  112   HG21  THR  13          HG21      THR  13   6.762   2.594   6.029
  113   HG22  THR  13          HG22      THR  13   5.471   1.394   5.973
  114   HG23  THR  13          HG23      THR  13   7.143   0.904   5.702
  115    H    TYR  14           H        TYR  14   3.719   3.478   7.836
  116    HA   TYR  14           HA       TYR  14   1.989   1.407   9.007
  117    HB2  TYR  14           HB2      TYR  14   1.516   4.327   8.421
  118    HB3  TYR  14           HB3      TYR  14   0.201   3.216   8.791
  119    HD1  TYR  14           HD1      TYR  14   1.768   5.739  10.238
  120    HD2  TYR  14           HD2      TYR  14   1.263   1.572  10.927
  121    HE1  TYR  14           HE1      TYR  14   2.149   6.097  12.641
  122    HE2  TYR  14           HE2      TYR  14   1.643   1.918  13.332
  123    HH   TYR  14           HH       TYR  14   1.394   4.712  14.851
  124    H    CYS  15           H        CYS  15   1.252  -0.013   7.584
  125    HA   CYS  15           HA       CYS  15   0.683   0.899   4.841
  126    HB2  CYS  15           HB2      CYS  15   1.192  -1.944   5.727
  127    HB3  CYS  15           HB3      CYS  15   1.110  -1.337   4.077
  128    H    ARG  16           H        ARG  16  -1.355   0.856   4.152
  129    HA   ARG  16           HA       ARG  16  -3.411  -0.190   5.917
  130    HB2  ARG  16           HB2      ARG  16  -4.982   0.960   4.446
  131    HB3  ARG  16           HB3      ARG  16  -3.685   2.043   4.934
  132    HG2  ARG  16           HG2      ARG  16  -2.570   1.554   2.748
  133    HG3  ARG  16           HG3      ARG  16  -4.031   0.682   2.275
  134    HD2  ARG  16           HD2      ARG  16  -4.262   2.852   1.383
  135    HD3  ARG  16           HD3      ARG  16  -5.304   2.805   2.804
  136    HE   ARG  16           HE       ARG  16  -2.667   3.813   3.338
  137   HH11  ARG  16          HH11      ARG  16  -5.879   4.623   2.269
  138   HH12  ARG  16          HH12      ARG  16  -5.748   6.291   2.717
  139   HH21  ARG  16          HH21      ARG  16  -2.482   6.008   3.933
  140   HH22  ARG  16          HH22      ARG  16  -3.816   7.078   3.664
  141    H    GLY  17           H        GLY  17  -4.391  -2.089   5.657
  142    HA2  GLY  17           HA2      GLY  17  -3.936  -3.537   3.131
  143    HA3  GLY  17           HA3      GLY  17  -4.256  -4.291   4.687
  144    H    ARG  18           H        ARG  18  -6.159  -5.269   4.667
  145    HA   ARG  18           HA       ARG  18  -8.286  -4.326   2.937
  146    HB2  ARG  18           HB2      ARG  18  -7.820  -6.732   3.098
  147    HB3  ARG  18           HB3      ARG  18  -8.180  -6.689   4.820
  148    HG2  ARG  18           HG2      ARG  18 -10.144  -7.498   3.950
  149    HG3  ARG  18           HG3      ARG  18 -10.484  -5.769   4.040
  150    HD2  ARG  18           HD2      ARG  18  -9.400  -7.091   1.565
  151    HD3  ARG  18           HD3      ARG  18 -11.127  -6.941   1.885
  152    HE   ARG  18           HE       ARG  18 -10.100  -4.406   2.162
  153   HH11  ARG  18          HH11      ARG  18 -10.236  -6.810  -0.352
  154   HH12  ARG  18          HH12      ARG  18 -10.244  -5.649  -1.641
  155   HH21  ARG  18          HH21      ARG  18 -10.112  -2.870   0.476
  156   HH22  ARG  18          HH22      ARG  18 -10.173  -3.409  -1.168
  157    HN1  NH2  19           H1       NH2  19  -9.305  -2.562   3.700
  158    HN2  NH2  19           H2       NH2  19 -10.019  -2.375   5.240
  Start of MODEL    9
    1    H    PCA   1           H        PCA   1   0.777  -0.279  -0.922
    2    HA   PCA   1           HA       PCA   1   2.381   1.289  -0.806
    3    HB2  PCA   1           HB2      PCA   1   1.124   3.767  -0.621
    4    HB3  PCA   1           HB3      PCA   1   1.213   2.907  -2.168
    5    HG2  PCA   1           HG2      PCA   1  -1.069   2.858  -0.121
    6    HG3  PCA   1           HG3      PCA   1  -1.182   3.038  -1.886
    7    H    CYS   2           H        CYS   2   3.273   2.598   0.785
    8    HA   CYS   2           HA       CYS   2   2.016   2.315   3.436
    9    HB2  CYS   2           HB2      CYS   2   4.956   2.097   2.753
   10    HB3  CYS   2           HB3      CYS   2   4.271   1.998   4.373
   11    H    ARG   3           H        ARG   3   2.781   3.878   5.057
   12    HA   ARG   3           HA       ARG   3   3.510   6.453   3.822
   13    HB2  ARG   3           HB2      ARG   3   1.642   5.943   6.143
   14    HB3  ARG   3           HB3      ARG   3   2.156   7.536   5.603
   15    HG2  ARG   3           HG2      ARG   3   0.885   5.708   3.633
   16    HG3  ARG   3           HG3      ARG   3  -0.131   6.506   4.835
   17    HD2  ARG   3           HD2      ARG   3   1.835   8.018   3.138
   18    HD3  ARG   3           HD3      ARG   3   0.189   7.689   2.599
   19    HE   ARG   3           HE       ARG   3   1.006   9.654   4.490
   20   HH11  ARG   3          HH11      ARG   3  -1.580   7.471   3.676
   21   HH12  ARG   3          HH12      ARG   3  -2.803   8.426   4.446
   22   HH21  ARG   3          HH21      ARG   3  -0.595  10.921   5.508
   23   HH22  ARG   3          HH22      ARG   3  -2.243  10.388   5.487
   24    H    ARG   4           H        ARG   4   5.359   7.285   4.518
   25    HA   ARG   4           HA       ARG   4   6.563   6.212   6.961
   26    HB2  ARG   4           HB2      ARG   4   7.855   6.203   4.820
   27    HB3  ARG   4           HB3      ARG   4   7.822   7.960   4.842
   28    HG2  ARG   4           HG2      ARG   4   9.308   8.106   6.581
   29    HG3  ARG   4           HG3      ARG   4   8.892   6.510   7.211
   30    HD2  ARG   4           HD2      ARG   4  10.151   6.692   4.521
   31    HD3  ARG   4           HD3      ARG   4  11.166   6.952   5.940
   32    HE   ARG   4           HE       ARG   4   9.719   4.625   6.385
   33   HH11  ARG   4          HH11      ARG   4  12.115   5.800   4.150
   34   HH12  ARG   4          HH12      ARG   4  12.807   4.237   3.867
   35   HH21  ARG   4          HH21      ARG   4  10.620   2.562   6.022
   36   HH22  ARG   4          HH22      ARG   4  11.955   2.396   4.932
   37    H    LEU   5           H        LEU   5   5.875   7.311   8.702
   38    HA   LEU   5           HA       LEU   5   6.191  10.238   8.663
   39    HB2  LEU   5           HB2      LEU   5   3.818   9.642   8.610
   40    HB3  LEU   5           HB3      LEU   5   4.030   8.670  10.065
   41    HG   LEU   5           HG       LEU   5   4.811  10.931  11.117
   42   HD11  LEU   5          HD11      LEU   5   4.840  12.547   9.544
   43   HD12  LEU   5          HD12      LEU   5   3.124  12.655   9.935
   44   HD13  LEU   5          HD13      LEU   5   3.651  11.734   8.527
   45   HD21  LEU   5          HD21      LEU   5   2.873  10.798  12.207
   46   HD22  LEU   5          HD22      LEU   5   2.458   9.484  11.106
   47   HD23  LEU   5          HD23      LEU   5   1.938  11.131  10.749
   48    H    CYS   6           H        CYS   6   7.141  11.160  10.429
   49    HA   CYS   6           HA       CYS   6   8.036   9.318  12.551
   50    HB2  CYS   6           HB2      CYS   6   9.521  11.725  11.475
   51    HB3  CYS   6           HB3      CYS   6  10.090  10.623  12.725
   52    H    TYR   7           H        TYR   7   7.365   9.805  14.528
   53    HA   TYR   7           HA       TYR   7   6.727  12.605  15.164
   54    HB2  TYR   7           HB2      TYR   7   4.752  10.850  14.730
   55    HB3  TYR   7           HB3      TYR   7   5.070  10.479  16.421
   56    HD1  TYR   7           HD1      TYR   7   4.934  13.647  14.431
   57    HD2  TYR   7           HD2      TYR   7   3.518  11.470  17.801
   58    HE1  TYR   7           HE1      TYR   7   3.576  15.584  15.104
   59    HE2  TYR   7           HE2      TYR   7   2.154  13.401  18.484
   60    HH   TYR   7           HH       TYR   7   2.350  16.481  16.778
   61    H    LYS   8           H        LYS   8   7.366  13.306  17.137
   62    HA   LYS   8           HA       LYS   8   8.618  13.369  19.040
   63    HB2  LYS   8           HB2      LYS   8   7.137  10.764  19.402
   64    HB3  LYS   8           HB3      LYS   8   8.143  11.472  20.659
   65    HG2  LYS   8           HG2      LYS   8   6.691  13.209  21.037
   66    HG3  LYS   8           HG3      LYS   8   5.995  13.121  19.417
   67    HD2  LYS   8           HD2      LYS   8   4.327  12.293  20.859
   68    HD3  LYS   8           HD3      LYS   8   5.048  10.865  20.114
   69    HE2  LYS   8           HE2      LYS   8   6.141  11.857  22.704
   70    HE3  LYS   8           HE3      LYS   8   4.616  10.973  22.706
   71    HZ1  LYS   8           HZ1      LYS   8   6.186   9.436  21.144
   72    HZ2  LYS   8           HZ2      LYS   8   5.915   9.177  22.793
   73    HZ3  LYS   8           HZ3      LYS   8   7.297  10.009  22.284
   74    H    GLN   9           H        GLN   9  10.056  12.511  16.824
   75    HA   GLN   9           HA       GLN   9  12.060  11.590  16.269
   76    HB2  GLN   9           HB2      GLN   9  12.394  10.857  19.174
   77    HB3  GLN   9           HB3      GLN   9  13.652  11.171  17.984
   78    HG2  GLN   9           HG2      GLN   9  12.650  13.539  17.873
   79    HG3  GLN   9           HG3      GLN   9  11.868  13.112  19.394
   80   HE21  GLN   9          HE21      GLN   9  12.940  13.635  21.149
   81   HE22  GLN   9          HE22      GLN   9  14.651  13.842  21.280
   82    H    ARG  10           H        ARG  10   9.708   9.989  16.119
   83    HA   ARG  10           HA       ARG  10  10.957   7.345  16.223
   84    HB2  ARG  10           HB2      ARG  10   9.594   7.541  18.264
   85    HB3  ARG  10           HB3      ARG  10   8.188   7.932  17.284
   86    HG2  ARG  10           HG2      ARG  10   8.120   5.755  16.350
   87    HG3  ARG  10           HG3      ARG  10   9.704   5.352  17.017
   88    HD2  ARG  10           HD2      ARG  10   7.545   6.164  18.894
   89    HD3  ARG  10           HD3      ARG  10   7.463   4.557  18.174
   90    HE   ARG  10           HE       ARG  10  10.027   4.799  19.126
   91   HH11  ARG  10          HH11      ARG  10   6.822   4.985  20.474
   92   HH12  ARG  10          HH12      ARG  10   7.304   4.411  22.036
   93   HH21  ARG  10          HH21      ARG  10  10.674   4.043  21.178
   94   HH22  ARG  10          HH22      ARG  10   9.495   3.876  22.436
   95    H    CYS  11           H        CYS  11  10.869   6.513  14.254
   96    HA   CYS  11           HA       CYS  11   8.723   7.368  12.441
   97    HB2  CYS  11           HB2      CYS  11  11.327   5.985  11.764
   98    HB3  CYS  11           HB3      CYS  11  10.172   6.663  10.622
   99    H    VAL  12           H        VAL  12   7.312   5.949  11.560
  100    HA   VAL  12           HA       VAL  12   7.750   3.080  11.946
  101    HB   VAL  12           HB       VAL  12   5.340   2.835  12.642
  102   HG11  VAL  12          HG11      VAL  12   5.806   3.600  15.021
  103   HG12  VAL  12          HG12      VAL  12   6.967   2.481  14.306
  104   HG13  VAL  12          HG13      VAL  12   7.348   4.200  14.413
  105   HG21  VAL  12          HG21      VAL  12   4.501   4.992  11.960
  106   HG22  VAL  12          HG22      VAL  12   4.292   4.812  13.701
  107   HG23  VAL  12          HG23      VAL  12   5.601   5.810  13.069
  108    H    THR  13           H        THR  13   6.980   1.823  10.323
  109    HA   THR  13           HA       THR  13   6.005   3.187   7.957
  110    HB   THR  13           HB       THR  13   6.308   0.219   8.050
  111    HG1  THR  13           HG1      THR  13   8.406   0.309   8.373
  112   HG21  THR  13          HG21      THR  13   7.368   0.736   5.803
  113   HG22  THR  13          HG22      THR  13   6.841   2.402   6.044
  114   HG23  THR  13          HG23      THR  13   5.651   1.103   5.953
  115    H    TYR  14           H        TYR  14   3.916   3.451   7.573
  116    HA   TYR  14           HA       TYR  14   1.995   1.614   8.825
  117    HB2  TYR  14           HB2      TYR  14   1.706   4.429   7.771
  118    HB3  TYR  14           HB3      TYR  14   0.327   3.436   8.232
  119    HD1  TYR  14           HD1      TYR  14   1.847   6.119   9.357
  120    HD2  TYR  14           HD2      TYR  14   1.271   2.108  10.659
  121    HE1  TYR  14           HE1      TYR  14   2.112   6.845  11.692
  122    HE2  TYR  14           HE2      TYR  14   1.534   2.824  12.997
  123    HH   TYR  14           HH       TYR  14   1.122   5.404  14.190
  124    H    CYS  15           H        CYS  15   1.325   0.026   7.553
  125    HA   CYS  15           HA       CYS  15   0.791   0.630   4.719
  126    HB2  CYS  15           HB2      CYS  15   1.757  -2.026   5.793
  127    HB3  CYS  15           HB3      CYS  15   1.525  -1.587   4.104
  128    H    ARG  16           H        ARG  16  -1.237   0.292   4.100
  129    HA   ARG  16           HA       ARG  16  -3.094  -0.962   5.941
  130    HB2  ARG  16           HB2      ARG  16  -4.830  -0.150   4.423
  131    HB3  ARG  16           HB3      ARG  16  -3.713   1.142   4.845
  132    HG2  ARG  16           HG2      ARG  16  -2.541   0.734   2.681
  133    HG3  ARG  16           HG3      ARG  16  -3.830  -0.397   2.263
  134    HD2  ARG  16           HD2      ARG  16  -4.255   1.785   1.280
  135    HD3  ARG  16           HD3      ARG  16  -5.474   1.406   2.496
  136    HE   ARG  16           HE       ARG  16  -3.303   2.920   3.568
  137   HH11  ARG  16          HH11      ARG  16  -6.274   3.143   1.768
  138   HH12  ARG  16          HH12      ARG  16  -6.584   4.783   2.230
  139   HH21  ARG  16          HH21      ARG  16  -3.700   5.080   4.185
  140   HH22  ARG  16          HH22      ARG  16  -5.119   5.884   3.605
  141    H    GLY  17           H        GLY  17  -3.768  -3.000   5.810
  142    HA2  GLY  17           HA2      GLY  17  -2.929  -4.615   3.534
  143    HA3  GLY  17           HA3      GLY  17  -3.589  -5.212   5.049
  144    H    ARG  18           H        ARG  18  -4.470  -6.306   2.730
  145    HA   ARG  18           HA       ARG  18  -7.155  -5.137   2.399
  146    HB2  ARG  18           HB2      ARG  18  -7.176  -6.297   0.174
  147    HB3  ARG  18           HB3      ARG  18  -6.009  -4.989   0.308
  148    HG2  ARG  18           HG2      ARG  18  -4.213  -6.581   0.629
  149    HG3  ARG  18           HG3      ARG  18  -5.367  -7.916   0.593
  150    HD2  ARG  18           HD2      ARG  18  -4.722  -6.018  -1.660
  151    HD3  ARG  18           HD3      ARG  18  -4.280  -7.723  -1.555
  152    HE   ARG  18           HE       ARG  18  -7.009  -7.690  -1.358
  153   HH11  ARG  18          HH11      ARG  18  -4.675  -6.531  -3.666
  154   HH12  ARG  18          HH12      ARG  18  -5.731  -6.721  -5.026
  155   HH21  ARG  18          HH21      ARG  18  -8.409  -7.944  -3.141
  156   HH22  ARG  18          HH22      ARG  18  -7.855  -7.524  -4.727
  157    HN1  NH2  19           H1       NH2  19  -8.796  -6.840   1.678
  158    HN2  NH2  19           H2       NH2  19  -8.815  -8.336   2.500
  Start of MODEL   10
    1    H    PCA   1           H        PCA   1   0.549  -0.526  -0.373
    2    HA   PCA   1           HA       PCA   1   1.285   1.568  -0.714
    3    HB2  PCA   1           HB2      PCA   1  -0.872   3.289  -0.334
    4    HB3  PCA   1           HB3      PCA   1  -0.722   2.334  -1.818
    5    HG2  PCA   1           HG2      PCA   1  -2.290   1.626   0.720
    6    HG3  PCA   1           HG3      PCA   1  -2.820   1.487  -0.971
    7    H    CYS   2           H        CYS   2   2.554   2.067   0.777
    8    HA   CYS   2           HA       CYS   2   1.573   2.532   3.518
    9    HB2  CYS   2           HB2      CYS   2   4.317   1.564   2.685
   10    HB3  CYS   2           HB3      CYS   2   3.745   1.779   4.336
   11    H    ARG   3           H        ARG   3   2.962   4.033   4.801
   12    HA   ARG   3           HA       ARG   3   4.369   6.032   3.199
   13    HB2  ARG   3           HB2      ARG   3   3.128   7.873   4.286
   14    HB3  ARG   3           HB3      ARG   3   2.096   6.871   3.274
   15    HG2  ARG   3           HG2      ARG   3   0.734   6.961   5.059
   16    HG3  ARG   3           HG3      ARG   3   1.753   5.641   5.637
   17    HD2  ARG   3           HD2      ARG   3   3.065   7.136   6.957
   18    HD3  ARG   3           HD3      ARG   3   2.288   8.544   6.232
   19    HE   ARG   3           HE       ARG   3   1.290   6.936   8.387
   20   HH11  ARG   3          HH11      ARG   3   0.409   9.048   5.764
   21   HH12  ARG   3          HH12      ARG   3  -1.095   9.524   6.479
   22   HH21  ARG   3          HH21      ARG   3  -0.687   7.555   9.341
   23   HH22  ARG   3          HH22      ARG   3  -1.717   8.676   8.514
   24    H    ARG   4           H        ARG   4   5.830   7.318   4.379
   25    HA   ARG   4           HA       ARG   4   6.634   6.114   6.921
   26    HB2  ARG   4           HB2      ARG   4   8.176   6.582   4.841
   27    HB3  ARG   4           HB3      ARG   4   8.240   8.207   5.511
   28    HG2  ARG   4           HG2      ARG   4   9.346   7.515   7.425
   29    HG3  ARG   4           HG3      ARG   4   8.837   5.836   7.231
   30    HD2  ARG   4           HD2      ARG   4  10.478   5.370   5.718
   31    HD3  ARG   4           HD3      ARG   4  10.515   7.017   5.090
   32    HE   ARG   4           HE       ARG   4  11.486   6.934   7.751
   33   HH11  ARG   4          HH11      ARG   4  12.364   6.159   4.472
   34   HH12  ARG   4          HH12      ARG   4  14.065   6.342   4.746
   35   HH21  ARG   4          HH21      ARG   4  13.722   7.177   8.125
   36   HH22  ARG   4          HH22      ARG   4  14.837   6.921   6.825
   37    H    LEU   5           H        LEU   5   5.993   7.044   8.739
   38    HA   LEU   5           HA       LEU   5   5.758   9.979   8.816
   39    HB2  LEU   5           HB2      LEU   5   3.533   9.202   8.812
   40    HB3  LEU   5           HB3      LEU   5   3.907   7.893   9.932
   41    HG   LEU   5           HG       LEU   5   4.206   9.537  11.734
   42   HD11  LEU   5          HD11      LEU   5   4.565  11.671  11.265
   43   HD12  LEU   5          HD12      LEU   5   2.927  11.796  10.625
   44   HD13  LEU   5          HD13      LEU   5   4.262  11.371   9.553
   45   HD21  LEU   5          HD21      LEU   5   1.817  10.235  11.887
   46   HD22  LEU   5          HD22      LEU   5   2.050   8.523  11.530
   47   HD23  LEU   5          HD23      LEU   5   1.589   9.639  10.243
   48    H    CYS   6           H        CYS   6   6.952  10.919  10.333
   49    HA   CYS   6           HA       CYS   6   7.991   9.245  12.524
   50    HB2  CYS   6           HB2      CYS   6   9.207  11.728  11.292
   51    HB3  CYS   6           HB3      CYS   6   9.905  10.788  12.608
   52    H    TYR   7           H        TYR   7   7.374   9.730  14.521
   53    HA   TYR   7           HA       TYR   7   6.582  12.480  15.155
   54    HB2  TYR   7           HB2      TYR   7   4.671  10.626  14.686
   55    HB3  TYR   7           HB3      TYR   7   4.939  10.359  16.405
   56    HD1  TYR   7           HD1      TYR   7   4.743  13.383  14.205
   57    HD2  TYR   7           HD2      TYR   7   3.354  11.402  17.704
   58    HE1  TYR   7           HE1      TYR   7   3.310  15.313  14.722
   59    HE2  TYR   7           HE2      TYR   7   1.916  13.326  18.230
   60    HH   TYR   7           HH       TYR   7   2.072  15.978  17.563
   61    H    LYS   8           H        LYS   8   7.112  13.155  17.182
   62    HA   LYS   8           HA       LYS   8   8.316  13.219  19.115
   63    HB2  LYS   8           HB2      LYS   8   7.227  10.427  19.500
   64    HB3  LYS   8           HB3      LYS   8   7.782  11.522  20.759
   65    HG2  LYS   8           HG2      LYS   8   5.938  13.094  19.976
   66    HG3  LYS   8           HG3      LYS   8   5.305  11.712  19.079
   67    HD2  LYS   8           HD2      LYS   8   4.145  11.483  21.040
   68    HD3  LYS   8           HD3      LYS   8   5.570  10.508  21.409
   69    HE2  LYS   8           HE2      LYS   8   5.420  11.818  23.294
   70    HE3  LYS   8           HE3      LYS   8   6.527  12.767  22.303
   71    HZ1  LYS   8           HZ1      LYS   8   3.599  13.230  22.442
   72    HZ2  LYS   8           HZ2      LYS   8   4.741  14.196  21.655
   73    HZ3  LYS   8           HZ3      LYS   8   4.742  14.092  23.343
   74    H    GLN   9           H        GLN   9   9.855  12.528  16.922
   75    HA   GLN   9           HA       GLN   9  11.907  11.716  16.372
   76    HB2  GLN   9           HB2      GLN   9  12.225  10.945  19.270
   77    HB3  GLN   9           HB3      GLN   9  13.488  11.339  18.111
   78    HG2  GLN   9           HG2      GLN   9  12.362  13.657  18.017
   79    HG3  GLN   9           HG3      GLN   9  11.593  13.164  19.526
   80   HE21  GLN   9          HE21      GLN   9  12.771  13.100  21.379
   81   HE22  GLN   9          HE22      GLN   9  14.410  13.632  21.493
   82    H    ARG  10           H        ARG  10   9.649   9.992  16.148
   83    HA   ARG  10           HA       ARG  10  11.041   7.420  16.216
   84    HB2  ARG  10           HB2      ARG  10   9.647   7.482  18.238
   85    HB3  ARG  10           HB3      ARG  10   8.232   7.838  17.255
   86    HG2  ARG  10           HG2      ARG  10   8.658   5.644  16.077
   87    HG3  ARG  10           HG3      ARG  10   9.829   5.297  17.351
   88    HD2  ARG  10           HD2      ARG  10   8.182   5.256  19.012
   89    HD3  ARG  10           HD3      ARG  10   7.012   6.095  17.995
   90    HE   ARG  10           HE       ARG  10   7.639   3.672  16.763
   91   HH11  ARG  10          HH11      ARG  10   6.083   4.830  19.654
   92   HH12  ARG  10          HH12      ARG  10   5.022   3.467  19.786
   93   HH21  ARG  10          HH21      ARG  10   6.248   1.872  16.926
   94   HH22  ARG  10          HH22      ARG  10   5.117   1.785  18.233
   95    H    CYS  11           H        CYS  11  11.025   6.622  14.230
   96    HA   CYS  11           HA       CYS  11   8.875   7.412  12.395
   97    HB2  CYS  11           HB2      CYS  11  11.594   6.215  11.820
   98    HB3  CYS  11           HB3      CYS  11  10.409   6.676  10.602
   99    H    VAL  12           H        VAL  12   7.489   5.968  11.550
  100    HA   VAL  12           HA       VAL  12   8.058   3.111  11.767
  101    HB   VAL  12           HB       VAL  12   5.715   2.717  12.624
  102   HG11  VAL  12          HG11      VAL  12   7.603   2.387  14.073
  103   HG12  VAL  12          HG12      VAL  12   7.709   4.117  14.400
  104   HG13  VAL  12          HG13      VAL  12   6.326   3.191  14.984
  105   HG21  VAL  12          HG21      VAL  12   4.778   4.907  12.146
  106   HG22  VAL  12          HG22      VAL  12   4.660   4.557  13.870
  107   HG23  VAL  12          HG23      VAL  12   5.904   5.657  13.278
  108    H    THR  13           H        THR  13   6.930   1.822  10.297
  109    HA   THR  13           HA       THR  13   5.898   3.272   7.995
  110    HB   THR  13           HB       THR  13   6.024   0.296   8.017
  111    HG1  THR  13           HG1      THR  13   7.994   0.656   8.922
  112   HG21  THR  13          HG21      THR  13   5.499   0.922   5.904
  113   HG22  THR  13          HG22      THR  13   7.245   1.130   5.762
  114   HG23  THR  13          HG23      THR  13   6.213   2.523   6.087
  115    H    TYR  14           H        TYR  14   3.807   3.785   8.037
  116    HA   TYR  14           HA       TYR  14   1.897   1.939   9.276
  117    HB2  TYR  14           HB2      TYR  14   1.746   4.854   8.528
  118    HB3  TYR  14           HB3      TYR  14   0.310   3.927   8.946
  119    HD1  TYR  14           HD1      TYR  14   2.151   6.319  10.276
  120    HD2  TYR  14           HD2      TYR  14   1.183   2.272  11.164
  121    HE1  TYR  14           HE1      TYR  14   2.577   6.746  12.660
  122    HE2  TYR  14           HE2      TYR  14   1.604   2.689  13.551
  123    HH   TYR  14           HH       TYR  14   1.872   5.765  14.860
  124    H    CYS  15           H        CYS  15   0.894   0.552   7.995
  125    HA   CYS  15           HA       CYS  15   0.407   1.313   5.190
  126    HB2  CYS  15           HB2      CYS  15   0.649  -1.462   6.374
  127    HB3  CYS  15           HB3      CYS  15   0.390  -1.084   4.675
  128    H    ARG  16           H        ARG  16  -1.621   1.181   4.358
  129    HA   ARG  16           HA       ARG  16  -3.800   1.013   6.233
  130    HB2  ARG  16           HB2      ARG  16  -3.838   1.403   3.235
  131    HB3  ARG  16           HB3      ARG  16  -5.209   1.619   4.315
  132    HG2  ARG  16           HG2      ARG  16  -3.715   3.355   5.499
  133    HG3  ARG  16           HG3      ARG  16  -2.760   3.308   4.016
  134    HD2  ARG  16           HD2      ARG  16  -5.694   3.969   4.245
  135    HD3  ARG  16           HD3      ARG  16  -4.386   5.107   3.922
  136    HE   ARG  16           HE       ARG  16  -4.331   3.101   1.968
  137   HH11  ARG  16          HH11      ARG  16  -6.326   5.761   2.998
  138   HH12  ARG  16          HH12      ARG  16  -6.967   6.064   1.417
  139   HH21  ARG  16          HH21      ARG  16  -5.167   3.489  -0.119
  140   HH22  ARG  16          HH22      ARG  16  -6.307   4.769  -0.355
  141    H    GLY  17           H        GLY  17  -4.939  -0.747   6.705
  142    HA2  GLY  17           HA2      GLY  17  -4.577  -3.134   5.039
  143    HA3  GLY  17           HA3      GLY  17  -5.170  -3.112   6.693
  144    H    ARG  18           H        ARG  18  -7.288  -3.339   6.988
  145    HA   ARG  18           HA       ARG  18  -9.042  -2.983   4.650
  146    HB2  ARG  18           HB2      ARG  18  -9.640  -4.650   7.092
  147    HB3  ARG  18           HB3      ARG  18 -10.478  -4.665   5.546
  148    HG2  ARG  18           HG2      ARG  18  -8.492  -5.605   4.476
  149    HG3  ARG  18           HG3      ARG  18  -7.654  -5.592   6.030
  150    HD2  ARG  18           HD2      ARG  18  -8.417  -7.779   5.858
  151    HD3  ARG  18           HD3      ARG  18  -9.640  -7.004   6.863
  152    HE   ARG  18           HE       ARG  18 -10.610  -6.740   4.338
  153   HH11  ARG  18          HH11      ARG  18  -9.506  -9.436   6.246
  154   HH12  ARG  18          HH12      ARG  18 -10.561 -10.577   5.480
  155   HH21  ARG  18          HH21      ARG  18 -12.002  -8.233   3.323
  156   HH22  ARG  18          HH22      ARG  18 -11.980  -9.893   3.817
  157    HN1  NH2  19           H1       NH2  19  -9.414  -2.989   8.201
  158    HN2  NH2  19           H2       NH2  19 -10.389  -1.592   8.328
  Start of MODEL   11
    1    H    PCA   1           H        PCA   1   2.611   0.312  -1.043
    2    HA   PCA   1           HA       PCA   1   1.345   2.153  -0.812
    3    HB2  PCA   1           HB2      PCA   1  -1.151   1.345   0.120
    4    HB3  PCA   1           HB3      PCA   1  -0.699   1.117  -1.577
    5    HG2  PCA   1           HG2      PCA   1  -0.441  -0.895   0.722
    6    HG3  PCA   1           HG3      PCA   1  -1.068  -1.177  -0.918
    7    H    CYS   2           H        CYS   2   2.924   2.432   0.725
    8    HA   CYS   2           HA       CYS   2   1.934   2.343   3.494
    9    HB2  CYS   2           HB2      CYS   2   4.751   1.733   2.576
   10    HB3  CYS   2           HB3      CYS   2   4.249   1.887   4.256
   11    H    ARG   3           H        ARG   3   2.843   3.970   4.903
   12    HA   ARG   3           HA       ARG   3   3.965   6.284   3.469
   13    HB2  ARG   3           HB2      ARG   3   1.863   6.401   5.639
   14    HB3  ARG   3           HB3      ARG   3   2.573   7.777   4.805
   15    HG2  ARG   3           HG2      ARG   3   1.636   6.801   2.671
   16    HG3  ARG   3           HG3      ARG   3   0.725   5.688   3.693
   17    HD2  ARG   3           HD2      ARG   3  -0.521   7.419   4.660
   18    HD3  ARG   3           HD3      ARG   3   0.613   8.655   4.119
   19    HE   ARG   3           HE       ARG   3  -1.590   7.581   2.649
   20   HH11  ARG   3          HH11      ARG   3   1.586   8.977   2.350
   21   HH12  ARG   3          HH12      ARG   3   1.313   9.581   0.750
   22   HH21  ARG   3          HH21      ARG   3  -1.962   8.371   0.543
   23   HH22  ARG   3          HH22      ARG   3  -0.706   9.236  -0.278
   24    H    ARG   4           H        ARG   4   5.620   7.315   4.450
   25    HA   ARG   4           HA       ARG   4   6.570   6.179   6.977
   26    HB2  ARG   4           HB2      ARG   4   7.971   6.437   4.772
   27    HB3  ARG   4           HB3      ARG   4   8.164   8.097   5.321
   28    HG2  ARG   4           HG2      ARG   4   9.286   7.420   7.284
   29    HG3  ARG   4           HG3      ARG   4   8.831   5.732   7.047
   30    HD2  ARG   4           HD2      ARG   4  10.998   5.694   6.299
   31    HD3  ARG   4           HD3      ARG   4  10.140   6.022   4.794
   32    HE   ARG   4           HE       ARG   4  10.881   8.430   6.110
   33   HH11  ARG   4          HH11      ARG   4  12.132   5.833   4.159
   34   HH12  ARG   4          HH12      ARG   4  13.410   6.784   3.480
   35   HH21  ARG   4          HH21      ARG   4  12.560   9.694   5.222
   36   HH22  ARG   4          HH22      ARG   4  13.654   8.980   4.085
   37    H    LEU   5           H        LEU   5   5.877   7.229   8.724
   38    HA   LEU   5           HA       LEU   5   6.023  10.168   8.721
   39    HB2  LEU   5           HB2      LEU   5   3.690   9.432   8.605
   40    HB3  LEU   5           HB3      LEU   5   3.925   8.462  10.058
   41    HG   LEU   5           HG       LEU   5   4.286  10.504  11.361
   42   HD11  LEU   5          HD11      LEU   5   4.509  11.674   8.736
   43   HD12  LEU   5          HD12      LEU   5   4.957  12.338  10.307
   44   HD13  LEU   5          HD13      LEU   5   3.307  12.521   9.711
   45   HD21  LEU   5          HD21      LEU   5   1.778  11.188   9.992
   46   HD22  LEU   5          HD22      LEU   5   2.080  10.794  11.684
   47   HD23  LEU   5          HD23      LEU   5   1.919   9.502  10.493
   48    H    CYS   6           H        CYS   6   7.184  11.027  10.323
   49    HA   CYS   6           HA       CYS   6   8.021   9.252  12.518
   50    HB2  CYS   6           HB2      CYS   6   9.411  11.719  11.453
   51    HB3  CYS   6           HB3      CYS   6  10.015  10.652  12.716
   52    H    TYR   7           H        TYR   7   7.318   9.698  14.493
   53    HA   TYR   7           HA       TYR   7   6.553  12.465  15.136
   54    HB2  TYR   7           HB2      TYR   7   4.666  10.615  14.692
   55    HB3  TYR   7           HB3      TYR   7   4.993  10.263  16.386
   56    HD1  TYR   7           HD1      TYR   7   4.716  13.418  14.389
   57    HD2  TYR   7           HD2      TYR   7   3.390  11.183  17.758
   58    HE1  TYR   7           HE1      TYR   7   3.265  15.290  15.051
   59    HE2  TYR   7           HE2      TYR   7   1.934  13.048  18.429
   60    HH   TYR   7           HH       TYR   7   2.237  16.099  17.345
   61    H    LYS   8           H        LYS   8   7.143  13.186  17.119
   62    HA   LYS   8           HA       LYS   8   8.384  13.303  19.027
   63    HB2  LYS   8           HB2      LYS   8   7.023  10.632  19.364
   64    HB3  LYS   8           HB3      LYS   8   8.004  11.362  20.628
   65    HG2  LYS   8           HG2      LYS   8   6.513  13.317  20.629
   66    HG3  LYS   8           HG3      LYS   8   5.511  12.530  19.408
   67    HD2  LYS   8           HD2      LYS   8   5.077  10.684  20.960
   68    HD3  LYS   8           HD3      LYS   8   6.078  11.476  22.180
   69    HE2  LYS   8           HE2      LYS   8   3.815  12.992  20.974
   70    HE3  LYS   8           HE3      LYS   8   3.456  11.748  22.170
   71    HZ1  LYS   8           HZ1      LYS   8   5.594  13.479  22.972
   72    HZ2  LYS   8           HZ2      LYS   8   4.195  13.033  23.811
   73    HZ3  LYS   8           HZ3      LYS   8   4.149  14.318  22.711
   74    H    GLN   9           H        GLN   9   9.872  12.533  16.813
   75    HA   GLN   9           HA       GLN   9  11.924  11.720  16.261
   76    HB2  GLN   9           HB2      GLN   9  12.283  10.985  19.162
   77    HB3  GLN   9           HB3      GLN   9  13.527  11.372  17.980
   78    HG2  GLN   9           HG2      GLN   9  11.604  13.224  19.342
   79    HG3  GLN   9           HG3      GLN   9  13.366  13.252  19.365
   80   HE21  GLN   9          HE21      GLN   9  13.985  13.029  16.730
   81   HE22  GLN   9          HE22      GLN   9  13.407  14.407  15.865
   82    H    ARG  10           H        ARG  10   9.656  10.003  16.092
   83    HA   ARG  10           HA       ARG  10  11.038   7.426  16.183
   84    HB2  ARG  10           HB2      ARG  10   9.602   7.635  18.224
   85    HB3  ARG  10           HB3      ARG  10   8.204   7.781  17.168
   86    HG2  ARG  10           HG2      ARG  10   8.787   5.543  16.221
   87    HG3  ARG  10           HG3      ARG  10  10.021   5.405  17.475
   88    HD2  ARG  10           HD2      ARG  10   8.053   4.263  18.225
   89    HD3  ARG  10           HD3      ARG  10   8.238   5.735  19.178
   90    HE   ARG  10           HE       ARG  10   6.544   6.112  16.908
   91   HH11  ARG  10          HH11      ARG  10   6.655   4.908  20.173
   92   HH12  ARG  10          HH12      ARG  10   4.964   5.154  20.459
   93   HH21  ARG  10          HH21      ARG  10   4.316   6.440  17.273
   94   HH22  ARG  10          HH22      ARG  10   3.635   6.025  18.809
   95    H    CYS  11           H        CYS  11  10.997   6.601  14.209
   96    HA   CYS  11           HA       CYS  11   8.845   7.386  12.377
   97    HB2  CYS  11           HB2      CYS  11  11.506   6.071  11.783
   98    HB3  CYS  11           HB3      CYS  11  10.336   6.617  10.586
   99    H    VAL  12           H        VAL  12   7.418   5.958  11.570
  100    HA   VAL  12           HA       VAL  12   7.906   3.092  11.909
  101    HB   VAL  12           HB       VAL  12   5.598   2.747  12.746
  102   HG11  VAL  12          HG11      VAL  12   7.378   2.689  14.342
  103   HG12  VAL  12          HG12      VAL  12   7.432   4.452  14.424
  104   HG13  VAL  12          HG13      VAL  12   6.037   3.580  15.060
  105   HG21  VAL  12          HG21      VAL  12   4.501   4.776  13.797
  106   HG22  VAL  12          HG22      VAL  12   5.609   5.755  12.835
  107   HG23  VAL  12          HG23      VAL  12   4.453   4.689  12.035
  108    H    THR  13           H        THR  13   6.939   1.797  10.381
  109    HA   THR  13           HA       THR  13   5.974   3.170   8.013
  110    HB   THR  13           HB       THR  13   6.123   0.191   8.154
  111    HG1  THR  13           HG1      THR  13   8.170   0.243   8.657
  112   HG21  THR  13          HG21      THR  13   6.640   2.324   6.100
  113   HG22  THR  13          HG22      THR  13   5.470   1.004   6.051
  114   HG23  THR  13          HG23      THR  13   7.192   0.665   5.869
  115    H    TYR  14           H        TYR  14   3.886   3.565   7.737
  116    HA   TYR  14           HA       TYR  14   1.920   1.816   9.044
  117    HB2  TYR  14           HB2      TYR  14   1.788   4.673   8.094
  118    HB3  TYR  14           HB3      TYR  14   0.339   3.759   8.493
  119    HD1  TYR  14           HD1      TYR  14   2.036   6.269   9.762
  120    HD2  TYR  14           HD2      TYR  14   1.148   2.256  10.861
  121    HE1  TYR  14           HE1      TYR  14   2.320   6.861  12.132
  122    HE2  TYR  14           HE2      TYR  14   1.428   2.836  13.234
  123    HH   TYR  14           HH       TYR  14   1.625   6.056  14.327
  124    H    CYS  15           H        CYS  15   1.118   0.290   7.773
  125    HA   CYS  15           HA       CYS  15   0.584   0.951   4.950
  126    HB2  CYS  15           HB2      CYS  15   1.223  -1.788   6.062
  127    HB3  CYS  15           HB3      CYS  15   1.020  -1.357   4.367
  128    H    ARG  16           H        ARG  16  -1.420   0.579   4.172
  129    HA   ARG  16           HA       ARG  16  -3.485  -0.118   6.076
  130    HB2  ARG  16           HB2      ARG  16  -3.571   0.797   3.201
  131    HB3  ARG  16           HB3      ARG  16  -5.011   0.396   4.128
  132    HG2  ARG  16           HG2      ARG  16  -4.317   2.136   5.789
  133    HG3  ARG  16           HG3      ARG  16  -3.051   2.613   4.656
  134    HD2  ARG  16           HD2      ARG  16  -5.066   2.722   2.968
  135    HD3  ARG  16           HD3      ARG  16  -6.009   2.909   4.446
  136    HE   ARG  16           HE       ARG  16  -4.326   4.864   3.229
  137   HH11  ARG  16          HH11      ARG  16  -5.540   3.721   6.285
  138   HH12  ARG  16          HH12      ARG  16  -5.373   5.255   7.074
  139   HH21  ARG  16          HH21      ARG  16  -4.103   6.888   4.256
  140   HH22  ARG  16          HH22      ARG  16  -4.556   7.056   5.918
  141    H    GLY  17           H        GLY  17  -4.303  -2.086   6.331
  142    HA2  GLY  17           HA2      GLY  17  -3.770  -4.092   4.237
  143    HA3  GLY  17           HA3      GLY  17  -4.016  -4.453   5.939
  144    H    ARG  18           H        ARG  18  -5.395  -5.771   3.903
  145    HA   ARG  18           HA       ARG  18  -8.069  -4.596   3.865
  146    HB2  ARG  18           HB2      ARG  18  -7.179  -5.476   1.758
  147    HB3  ARG  18           HB3      ARG  18  -6.979  -7.060   2.495
  148    HG2  ARG  18           HG2      ARG  18  -8.958  -7.022   1.115
  149    HG3  ARG  18           HG3      ARG  18  -9.407  -7.205   2.812
  150    HD2  ARG  18           HD2      ARG  18  -9.284  -4.471   1.632
  151    HD3  ARG  18           HD3      ARG  18 -10.663  -5.502   1.254
  152    HE   ARG  18           HE       ARG  18 -10.116  -5.369   4.060
  153   HH11  ARG  18          HH11      ARG  18 -11.671  -3.750   1.398
  154   HH12  ARG  18          HH12      ARG  18 -12.818  -2.925   2.400
  155   HH21  ARG  18          HH21      ARG  18 -11.621  -4.287   5.389
  156   HH22  ARG  18          HH22      ARG  18 -12.788  -3.230   4.671
  157    HN1  NH2  19           H1       NH2  19  -8.367  -4.915   6.177
  158    HN2  NH2  19           H2       NH2  19  -8.862  -6.423   6.808
  Start of MODEL   12
    1    H    PCA   1           H        PCA   1  -0.249  -0.486  -0.100
    2    HA   PCA   1           HA       PCA   1   1.595   0.766  -0.380
    3    HB2  PCA   1           HB2      PCA   1   0.812   3.439  -0.336
    4    HB3  PCA   1           HB3      PCA   1   0.528   2.432  -1.766
    5    HG2  PCA   1           HG2      PCA   1  -1.404   2.998   0.546
    6    HG3  PCA   1           HG3      PCA   1  -1.743   3.025  -1.199
    7    H    CYS   2           H        CYS   2   2.869   2.185   0.893
    8    HA   CYS   2           HA       CYS   2   2.005   2.329   3.707
    9    HB2  CYS   2           HB2      CYS   2   4.751   1.595   2.668
   10    HB3  CYS   2           HB3      CYS   2   4.319   1.780   4.364
   11    H    ARG   3           H        ARG   3   2.813   4.051   4.945
   12    HA   ARG   3           HA       ARG   3   4.071   6.217   3.395
   13    HB2  ARG   3           HB2      ARG   3   1.977   6.521   5.556
   14    HB3  ARG   3           HB3      ARG   3   2.745   7.830   4.668
   15    HG2  ARG   3           HG2      ARG   3   1.072   5.685   3.382
   16    HG3  ARG   3           HG3      ARG   3   0.450   7.255   3.897
   17    HD2  ARG   3           HD2      ARG   3   1.559   8.389   2.243
   18    HD3  ARG   3           HD3      ARG   3   2.846   7.188   2.136
   19    HE   ARG   3           HE       ARG   3   1.648   6.138   0.507
   20   HH11  ARG   3          HH11      ARG   3  -0.514   8.147   2.351
   21   HH12  ARG   3          HH12      ARG   3  -1.879   7.846   1.327
   22   HH21  ARG   3          HH21      ARG   3  -0.139   5.733  -0.850
   23   HH22  ARG   3          HH22      ARG   3  -1.664   6.471  -0.494
   24    H    ARG   4           H        ARG   4   5.676   7.378   4.378
   25    HA   ARG   4           HA       ARG   4   6.709   6.249   6.871
   26    HB2  ARG   4           HB2      ARG   4   8.285   6.319   5.038
   27    HB3  ARG   4           HB3      ARG   4   7.984   8.035   4.795
   28    HG2  ARG   4           HG2      ARG   4   9.287   8.655   6.545
   29    HG3  ARG   4           HG3      ARG   4   8.936   7.193   7.469
   30    HD2  ARG   4           HD2      ARG   4  10.605   6.002   6.477
   31    HD3  ARG   4           HD3      ARG   4  10.472   6.879   4.953
   32    HE   ARG   4           HE       ARG   4  12.176   7.514   7.171
   33   HH11  ARG   4          HH11      ARG   4  10.479   8.812   4.421
   34   HH12  ARG   4          HH12      ARG   4  11.535  10.175   4.248
   35   HH21  ARG   4          HH21      ARG   4  13.573   9.304   6.952
   36   HH22  ARG   4          HH22      ARG   4  13.295  10.453   5.688
   37    H    LEU   5           H        LEU   5   5.956   7.221   8.641
   38    HA   LEU   5           HA       LEU   5   5.985  10.164   8.717
   39    HB2  LEU   5           HB2      LEU   5   3.684   9.320   8.588
   40    HB3  LEU   5           HB3      LEU   5   3.969   8.344  10.028
   41    HG   LEU   5           HG       LEU   5   4.221  10.364  11.367
   42   HD11  LEU   5          HD11      LEU   5   4.507  11.596   8.791
   43   HD12  LEU   5          HD12      LEU   5   4.833  12.258  10.391
   44   HD13  LEU   5          HD13      LEU   5   3.215  12.377   9.702
   45   HD21  LEU   5          HD21      LEU   5   1.730  11.061  10.011
   46   HD22  LEU   5          HD22      LEU   5   2.010  10.526  11.667
   47   HD23  LEU   5          HD23      LEU   5   1.889   9.341  10.366
   48    H    CYS   6           H        CYS   6   7.094  11.038  10.352
   49    HA   CYS   6           HA       CYS   6   7.987   9.246  12.513
   50    HB2  CYS   6           HB2      CYS   6   9.354  11.726  11.447
   51    HB3  CYS   6           HB3      CYS   6   9.968  10.670  12.715
   52    H    TYR   7           H        TYR   7   7.300   9.684  14.497
   53    HA   TYR   7           HA       TYR   7   6.510  12.439  15.151
   54    HB2  TYR   7           HB2      TYR   7   4.641  10.563  14.710
   55    HB3  TYR   7           HB3      TYR   7   4.967  10.234  16.407
   56    HD1  TYR   7           HD1      TYR   7   4.665  13.362  14.375
   57    HD2  TYR   7           HD2      TYR   7   3.351  11.152  17.765
   58    HE1  TYR   7           HE1      TYR   7   3.194  15.228  15.014
   59    HE2  TYR   7           HE2      TYR   7   1.876  13.010  18.413
   60    HH   TYR   7           HH       TYR   7   1.526  15.875  16.370
   61    H    LYS   8           H        LYS   8   7.101  13.159  17.134
   62    HA   LYS   8           HA       LYS   8   8.346  13.277  19.039
   63    HB2  LYS   8           HB2      LYS   8   7.282  10.489  19.513
   64    HB3  LYS   8           HB3      LYS   8   7.858  11.618  20.733
   65    HG2  LYS   8           HG2      LYS   8   6.002  13.086  20.331
   66    HG3  LYS   8           HG3      LYS   8   5.464  12.098  18.971
   67    HD2  LYS   8           HD2      LYS   8   4.070  11.367  20.658
   68    HD3  LYS   8           HD3      LYS   8   5.384  10.192  20.751
   69    HE2  LYS   8           HE2      LYS   8   4.939  10.853  22.974
   70    HE3  LYS   8           HE3      LYS   8   6.422  11.685  22.507
   71    HZ1  LYS   8           HZ1      LYS   8   4.168  13.270  21.870
   72    HZ2  LYS   8           HZ2      LYS   8   5.463  13.628  22.896
   73    HZ3  LYS   8           HZ3      LYS   8   4.104  12.820  23.499
   74    H    GLN   9           H        GLN   9   9.833  12.522  16.817
   75    HA   GLN   9           HA       GLN   9  11.887  11.724  16.257
   76    HB2  GLN   9           HB2      GLN   9  12.256  10.987  19.157
   77    HB3  GLN   9           HB3      GLN   9  13.498  11.375  17.973
   78    HG2  GLN   9           HG2      GLN   9  11.507  13.265  19.202
   79    HG3  GLN   9           HG3      GLN   9  13.248  13.218  19.476
   80   HE21  GLN   9          HE21      GLN   9  14.611  14.148  18.015
   81   HE22  GLN   9          HE22      GLN   9  14.071  15.091  16.673
   82    H    ARG  10           H        ARG  10   9.631   9.993  16.088
   83    HA   ARG  10           HA       ARG  10  11.029   7.425  16.167
   84    HB2  ARG  10           HB2      ARG  10   9.568   7.661  18.212
   85    HB3  ARG  10           HB3      ARG  10   8.183   7.719  17.130
   86    HG2  ARG  10           HG2      ARG  10   8.955   5.481  16.237
   87    HG3  ARG  10           HG3      ARG  10  10.070   5.434  17.605
   88    HD2  ARG  10           HD2      ARG  10   8.283   5.469  19.170
   89    HD3  ARG  10           HD3      ARG  10   7.106   5.853  17.914
   90    HE   ARG  10           HE       ARG  10   7.010   3.626  17.362
   91   HH11  ARG  10          HH11      ARG  10   9.743   4.193  19.443
   92   HH12  ARG  10          HH12      ARG  10  10.078   2.510  19.678
   93   HH21  ARG  10          HH21      ARG  10   7.441   1.407  17.664
   94   HH22  ARG  10          HH22      ARG  10   8.769   0.926  18.666
   95    H    CYS  11           H        CYS  11  10.987   6.601  14.193
   96    HA   CYS  11           HA       CYS  11   8.824   7.377  12.370
   97    HB2  CYS  11           HB2      CYS  11  11.501   6.101  11.770
   98    HB3  CYS  11           HB3      CYS  11  10.319   6.616  10.571
   99    H    VAL  12           H        VAL  12   7.413   5.938  11.554
  100    HA   VAL  12           HA       VAL  12   7.933   3.076  11.853
  101    HB   VAL  12           HB       VAL  12   5.558   2.765  12.678
  102   HG11  VAL  12          HG11      VAL  12   7.576   4.129  14.453
  103   HG12  VAL  12          HG12      VAL  12   6.161   3.251  15.036
  104   HG13  VAL  12          HG13      VAL  12   7.425   2.399  14.148
  105   HG21  VAL  12          HG21      VAL  12   5.836   5.695  13.336
  106   HG22  VAL  12          HG22      VAL  12   4.741   5.010  12.136
  107   HG23  VAL  12          HG23      VAL  12   4.520   4.638  13.845
  108    H    THR  13           H        THR  13   6.993   1.811  10.300
  109    HA   THR  13           HA       THR  13   5.915   3.212   8.000
  110    HB   THR  13           HB       THR  13   6.141   0.236   8.062
  111    HG1  THR  13           HG1      THR  13   8.330   0.295   7.954
  112   HG21  THR  13          HG21      THR  13   5.436   1.030   5.988
  113   HG22  THR  13          HG22      THR  13   7.175   0.839   5.766
  114   HG23  THR  13          HG23      THR  13   6.493   2.439   6.059
  115    H    TYR  14           H        TYR  14   3.810   3.665   7.996
  116    HA   TYR  14           HA       TYR  14   1.929   1.805   9.247
  117    HB2  TYR  14           HB2      TYR  14   1.690   4.673   8.350
  118    HB3  TYR  14           HB3      TYR  14   0.288   3.716   8.816
  119    HD1  TYR  14           HD1      TYR  14   2.019   6.249  10.018
  120    HD2  TYR  14           HD2      TYR  14   1.229   2.217  11.122
  121    HE1  TYR  14           HE1      TYR  14   2.417   6.823  12.376
  122    HE2  TYR  14           HE2      TYR  14   1.625   2.779  13.483
  123    HH   TYR  14           HH       TYR  14   1.447   5.453  14.791
  124    H    CYS  15           H        CYS  15   1.100   0.292   7.976
  125    HA   CYS  15           HA       CYS  15   0.465   0.996   5.185
  126    HB2  CYS  15           HB2      CYS  15   1.135  -1.767   6.210
  127    HB3  CYS  15           HB3      CYS  15   0.929  -1.274   4.533
  128    H    ARG  16           H        ARG  16  -1.604   0.853   4.609
  129    HA   ARG  16           HA       ARG  16  -3.546  -0.099   6.529
  130    HB2  ARG  16           HB2      ARG  16  -5.212   0.795   4.977
  131    HB3  ARG  16           HB3      ARG  16  -3.955   1.982   5.304
  132    HG2  ARG  16           HG2      ARG  16  -2.864   1.243   3.153
  133    HG3  ARG  16           HG3      ARG  16  -4.342   0.338   2.821
  134    HD2  ARG  16           HD2      ARG  16  -5.500   2.629   3.326
  135    HD3  ARG  16           HD3      ARG  16  -3.908   3.288   2.956
  136    HE   ARG  16           HE       ARG  16  -4.297   2.858   0.748
  137   HH11  ARG  16          HH11      ARG  16  -6.499   0.962   2.665
  138   HH12  ARG  16          HH12      ARG  16  -7.394   0.382   1.300
  139   HH21  ARG  16          HH21      ARG  16  -5.467   2.099  -1.057
  140   HH22  ARG  16          HH22      ARG  16  -6.805   1.028  -0.817
  141    H    GLY  17           H        GLY  17  -4.457  -2.049   6.536
  142    HA2  GLY  17           HA2      GLY  17  -5.590  -3.603   4.772
  143    HA3  GLY  17           HA3      GLY  17  -3.922  -3.833   4.269
  144    H    ARG  18           H        ARG  18  -3.884  -6.019   4.752
  145    HA   ARG  18           HA       ARG  18  -4.763  -7.174   7.149
  146    HB2  ARG  18           HB2      ARG  18  -2.715  -8.040   5.117
  147    HB3  ARG  18           HB3      ARG  18  -3.115  -9.023   6.519
  148    HG2  ARG  18           HG2      ARG  18  -5.303  -9.393   5.779
  149    HG3  ARG  18           HG3      ARG  18  -5.222  -8.072   4.612
  150    HD2  ARG  18           HD2      ARG  18  -4.927  -9.841   3.202
  151    HD3  ARG  18           HD3      ARG  18  -3.247  -9.532   3.638
  152    HE   ARG  18           HE       ARG  18  -4.382 -11.373   5.448
  153   HH11  ARG  18          HH11      ARG  18  -3.277 -11.130   2.156
  154   HH12  ARG  18          HH12      ARG  18  -2.867 -12.808   2.031
  155   HH21  ARG  18          HH21      ARG  18  -3.846 -13.584   5.297
  156   HH22  ARG  18          HH22      ARG  18  -3.191 -14.204   3.819
  157    HN1  NH2  19           H1       NH2  19  -4.038  -6.877   9.143
  158    HN2  NH2  19           H2       NH2  19  -2.446  -6.511   9.642
  Start of MODEL   13
    1    H    PCA   1           H        PCA   1   3.300  -0.203  -0.462
    2    HA   PCA   1           HA       PCA   1   2.485   1.857  -0.840
    3    HB2  PCA   1           HB2      PCA   1  -0.294   1.690  -0.752
    4    HB3  PCA   1           HB3      PCA   1   0.606   1.114  -2.165
    5    HG2  PCA   1           HG2      PCA   1  -0.345  -0.518   0.249
    6    HG3  PCA   1           HG3      PCA   1  -0.469  -0.935  -1.475
    7    H    CYS   2           H        CYS   2   3.534   1.993   1.142
    8    HA   CYS   2           HA       CYS   2   1.757   2.309   3.472
    9    HB2  CYS   2           HB2      CYS   2   4.746   1.852   3.502
   10    HB3  CYS   2           HB3      CYS   2   3.667   1.874   4.892
   11    H    ARG   3           H        ARG   3   2.855   3.905   5.123
   12    HA   ARG   3           HA       ARG   3   3.773   6.279   3.642
   13    HB2  ARG   3           HB2      ARG   3   1.862   6.286   5.985
   14    HB3  ARG   3           HB3      ARG   3   2.419   7.691   5.087
   15    HG2  ARG   3           HG2      ARG   3   1.365   6.532   3.043
   16    HG3  ARG   3           HG3      ARG   3   0.515   5.549   4.238
   17    HD2  ARG   3           HD2      ARG   3  -0.630   7.382   5.110
   18    HD3  ARG   3           HD3      ARG   3   0.511   8.538   4.424
   19    HE   ARG   3           HE       ARG   3  -0.587   7.370   2.241
   20   HH11  ARG   3          HH11      ARG   3  -1.911   8.917   5.065
   21   HH12  ARG   3          HH12      ARG   3  -3.327   9.489   4.247
   22   HH21  ARG   3          HH21      ARG   3  -2.447   8.117   1.154
   23   HH22  ARG   3          HH22      ARG   3  -3.632   9.033   2.023
   24    H    ARG   4           H        ARG   4   5.532   7.256   4.436
   25    HA   ARG   4           HA       ARG   4   6.678   6.197   6.910
   26    HB2  ARG   4           HB2      ARG   4   7.945   6.350   4.670
   27    HB3  ARG   4           HB3      ARG   4   8.054   8.073   5.004
   28    HG2  ARG   4           HG2      ARG   4   9.205   7.578   7.114
   29    HG3  ARG   4           HG3      ARG   4   9.127   5.856   6.735
   30    HD2  ARG   4           HD2      ARG   4  10.667   6.027   5.028
   31    HD3  ARG   4           HD3      ARG   4  10.339   7.739   4.763
   32    HE   ARG   4           HE       ARG   4  11.968   8.231   6.282
   33   HH11  ARG   4          HH11      ARG   4  10.950   4.937   6.765
   34   HH12  ARG   4          HH12      ARG   4  12.166   4.599   7.953
   35   HH21  ARG   4          HH21      ARG   4  13.572   7.798   7.843
   36   HH22  ARG   4          HH22      ARG   4  13.656   6.227   8.566
   37    H    LEU   5           H        LEU   5   5.935   7.268   8.645
   38    HA   LEU   5           HA       LEU   5   6.179  10.201   8.633
   39    HB2  LEU   5           HB2      LEU   5   3.811   9.408   8.535
   40    HB3  LEU   5           HB3      LEU   5   4.064   8.634  10.098
   41    HG   LEU   5           HG       LEU   5   4.712  11.044  10.867
   42   HD11  LEU   5          HD11      LEU   5   4.647  12.502   9.166
   43   HD12  LEU   5          HD12      LEU   5   2.905  12.479   9.437
   44   HD13  LEU   5          HD13      LEU   5   3.615  11.464   8.181
   45   HD21  LEU   5          HD21      LEU   5   2.718   9.619  11.517
   46   HD22  LEU   5          HD22      LEU   5   1.814  10.492  10.281
   47   HD23  LEU   5          HD23      LEU   5   2.510  11.365  11.647
   48    H    CYS   6           H        CYS   6   7.087  11.131  10.413
   49    HA   CYS   6           HA       CYS   6   8.004   9.294  12.528
   50    HB2  CYS   6           HB2      CYS   6   9.389  11.780  11.500
   51    HB3  CYS   6           HB3      CYS   6   9.982  10.722  12.776
   52    H    TYR   7           H        TYR   7   7.275   9.704  14.501
   53    HA   TYR   7           HA       TYR   7   6.493  12.455  15.184
   54    HB2  TYR   7           HB2      TYR   7   4.621  10.595  14.684
   55    HB3  TYR   7           HB3      TYR   7   4.915  10.244  16.383
   56    HD1  TYR   7           HD1      TYR   7   4.657  13.393  14.374
   57    HD2  TYR   7           HD2      TYR   7   3.294  11.163  17.732
   58    HE1  TYR   7           HE1      TYR   7   3.186  15.259  15.008
   59    HE2  TYR   7           HE2      TYR   7   1.817  13.023  18.375
   60    HH   TYR   7           HH       TYR   7   0.737  15.193  16.655
   61    H    LYS   8           H        LYS   8   7.072  13.145  17.177
   62    HA   LYS   8           HA       LYS   8   8.279  13.227  19.108
   63    HB2  LYS   8           HB2      LYS   8   7.117  10.459  19.479
   64    HB3  LYS   8           HB3      LYS   8   7.794  11.469  20.750
   65    HG2  LYS   8           HG2      LYS   8   5.625  12.678  19.164
   66    HG3  LYS   8           HG3      LYS   8   5.173  11.319  20.196
   67    HD2  LYS   8           HD2      LYS   8   6.858  13.525  21.303
   68    HD3  LYS   8           HD3      LYS   8   5.115  13.755  21.137
   69    HE2  LYS   8           HE2      LYS   8   5.147  12.877  23.233
   70    HE3  LYS   8           HE3      LYS   8   5.088  11.372  22.317
   71    HZ1  LYS   8           HZ1      LYS   8   7.767  12.162  22.587
   72    HZ2  LYS   8           HZ2      LYS   8   7.009  10.783  23.208
   73    HZ3  LYS   8           HZ3      LYS   8   7.046  12.209  24.117
   74    H    GLN   9           H        GLN   9   9.794  12.491  16.898
   75    HA   GLN   9           HA       GLN   9  11.854  11.689  16.359
   76    HB2  GLN   9           HB2      GLN   9  12.160  10.928  19.261
   77    HB3  GLN   9           HB3      GLN   9  13.432  11.290  18.102
   78    HG2  GLN   9           HG2      GLN   9  12.586  13.623  17.993
   79    HG3  GLN   9           HG3      GLN   9  11.455  13.222  19.284
   80   HE21  GLN   9          HE21      GLN   9  12.553  14.973  20.405
   81   HE22  GLN   9          HE22      GLN   9  14.014  14.635  21.262
   82    H    ARG  10           H        ARG  10   9.589   9.974  16.135
   83    HA   ARG  10           HA       ARG  10  10.972   7.397  16.200
   84    HB2  ARG  10           HB2      ARG  10   9.476   7.623  18.227
   85    HB3  ARG  10           HB3      ARG  10   8.111   7.685  17.120
   86    HG2  ARG  10           HG2      ARG  10   8.651   5.464  16.296
   87    HG3  ARG  10           HG3      ARG  10  10.059   5.402  17.358
   88    HD2  ARG  10           HD2      ARG  10   8.643   5.501  19.310
   89    HD3  ARG  10           HD3      ARG  10   7.213   5.719  18.302
   90    HE   ARG  10           HE       ARG  10   8.473   3.335  17.551
   91   HH11  ARG  10          HH11      ARG  10   6.753   4.693  20.256
   92   HH12  ARG  10          HH12      ARG  10   6.136   3.167  20.798
   93   HH21  ARG  10          HH21      ARG  10   7.667   1.320  18.254
   94   HH22  ARG  10          HH22      ARG  10   6.658   1.249  19.658
   95    H    CYS  11           H        CYS  11  10.948   6.593  14.217
   96    HA   CYS  11           HA       CYS  11   8.799   7.390  12.383
   97    HB2  CYS  11           HB2      CYS  11  11.478   6.138  11.744
   98    HB3  CYS  11           HB3      CYS  11  10.309   6.754  10.579
   99    H    VAL  12           H        VAL  12   7.383   5.953  11.598
  100    HA   VAL  12           HA       VAL  12   7.962   3.089  11.837
  101    HB   VAL  12           HB       VAL  12   5.626   2.690  12.638
  102   HG11  VAL  12          HG11      VAL  12   7.033   2.368  14.385
  103   HG12  VAL  12          HG12      VAL  12   7.780   3.958  14.221
  104   HG13  VAL  12          HG13      VAL  12   6.206   3.798  15.001
  105   HG21  VAL  12          HG21      VAL  12   4.674   4.843  11.965
  106   HG22  VAL  12          HG22      VAL  12   4.410   4.529  13.680
  107   HG23  VAL  12          HG23      VAL  12   5.665   5.660  13.174
  108    H    THR  13           H        THR  13   6.874   1.772  10.357
  109    HA   THR  13           HA       THR  13   5.933   3.183   7.989
  110    HB   THR  13           HB       THR  13   6.159   0.199   8.149
  111    HG1  THR  13           HG1      THR  13   8.313   2.048   7.881
  112   HG21  THR  13          HG21      THR  13   5.302   1.012   6.090
  113   HG22  THR  13          HG22      THR  13   6.989   0.595   5.791
  114   HG23  THR  13          HG23      THR  13   6.522   2.282   6.004
  115    H    TYR  14           H        TYR  14   3.839   3.628   7.838
  116    HA   TYR  14           HA       TYR  14   1.891   1.864   9.130
  117    HB2  TYR  14           HB2      TYR  14   1.716   4.683   8.073
  118    HB3  TYR  14           HB3      TYR  14   0.292   3.768   8.555
  119    HD1  TYR  14           HD1      TYR  14   1.970   6.359   9.660
  120    HD2  TYR  14           HD2      TYR  14   1.212   2.380  10.960
  121    HE1  TYR  14           HE1      TYR  14   2.318   7.061  11.992
  122    HE2  TYR  14           HE2      TYR  14   1.555   3.071  13.295
  123    HH   TYR  14           HH       TYR  14   1.469   5.110  14.644
  124    H    CYS  15           H        CYS  15   1.089   0.295   7.911
  125    HA   CYS  15           HA       CYS  15   0.592   0.845   5.058
  126    HB2  CYS  15           HB2      CYS  15   1.056  -1.874   6.290
  127    HB3  CYS  15           HB3      CYS  15   0.987  -1.473   4.577
  128    H    ARG  16           H        ARG  16  -1.427   0.611   4.304
  129    HA   ARG  16           HA       ARG  16  -3.529  -0.016   6.200
  130    HB2  ARG  16           HB2      ARG  16  -5.054   0.741   4.438
  131    HB3  ARG  16           HB3      ARG  16  -3.781   1.919   4.725
  132    HG2  ARG  16           HG2      ARG  16  -2.571   0.949   2.754
  133    HG3  ARG  16           HG3      ARG  16  -4.024   0.002   2.424
  134    HD2  ARG  16           HD2      ARG  16  -3.844   3.011   2.549
  135    HD3  ARG  16           HD3      ARG  16  -3.983   2.037   1.085
  136    HE   ARG  16           HE       ARG  16  -6.154   1.320   2.553
  137   HH11  ARG  16          HH11      ARG  16  -4.868   4.358   1.443
  138   HH12  ARG  16          HH12      ARG  16  -6.420   5.121   1.328
  139   HH21  ARG  16          HH21      ARG  16  -8.202   2.313   2.406
  140   HH22  ARG  16          HH22      ARG  16  -8.315   3.958   1.878
  141    H    GLY  17           H        GLY  17  -4.464  -1.940   6.393
  142    HA2  GLY  17           HA2      GLY  17  -3.723  -4.102   4.643
  143    HA3  GLY  17           HA3      GLY  17  -4.787  -4.204   6.038
  144    H    ARG  18           H        ARG  18  -6.616  -2.162   5.179
  145    HA   ARG  18           HA       ARG  18  -8.053  -3.718   3.160
  146    HB2  ARG  18           HB2      ARG  18  -9.068  -1.482   4.924
  147    HB3  ARG  18           HB3      ARG  18 -10.042  -2.527   3.898
  148    HG2  ARG  18           HG2      ARG  18  -9.234  -4.464   5.278
  149    HG3  ARG  18           HG3      ARG  18  -8.532  -3.281   6.383
  150    HD2  ARG  18           HD2      ARG  18 -10.669  -2.366   6.889
  151    HD3  ARG  18           HD3      ARG  18 -11.435  -3.279   5.590
  152    HE   ARG  18           HE       ARG  18 -10.178  -4.932   7.575
  153   HH11  ARG  18          HH11      ARG  18 -13.073  -3.205   6.707
  154   HH12  ARG  18          HH12      ARG  18 -14.110  -4.187   7.687
  155   HH21  ARG  18          HH21      ARG  18 -11.533  -6.233   8.869
  156   HH22  ARG  18          HH22      ARG  18 -13.233  -5.908   8.917
  157    HN1  NH2  19           H1       NH2  19  -8.096  -3.058   1.122
  158    HN2  NH2  19           H2       NH2  19  -7.878  -1.474   0.523
  Start of MODEL   14
    1    H    PCA   1           H        PCA   1  -0.006  -0.660  -0.180
    2    HA   PCA   1           HA       PCA   1   0.864   1.387  -0.486
    3    HB2  PCA   1           HB2      PCA   1  -1.094   3.244   0.203
    4    HB3  PCA   1           HB3      PCA   1  -1.173   2.371  -1.337
    5    HG2  PCA   1           HG2      PCA   1  -2.533   1.636   1.311
    6    HG3  PCA   1           HG3      PCA   1  -3.238   1.641  -0.321
    7    H    CYS   2           H        CYS   2   2.171   2.282   0.811
    8    HA   CYS   2           HA       CYS   2   1.569   2.427   3.689
    9    HB2  CYS   2           HB2      CYS   2   4.178   1.537   2.443
   10    HB3  CYS   2           HB3      CYS   2   3.896   1.763   4.166
   11    H    ARG   3           H        ARG   3   3.067   3.913   4.866
   12    HA   ARG   3           HA       ARG   3   4.233   6.019   3.217
   13    HB2  ARG   3           HB2      ARG   3   3.057   7.759   4.611
   14    HB3  ARG   3           HB3      ARG   3   2.030   6.878   3.487
   15    HG2  ARG   3           HG2      ARG   3   1.242   5.461   5.317
   16    HG3  ARG   3           HG3      ARG   3   2.269   6.351   6.443
   17    HD2  ARG   3           HD2      ARG   3   0.364   7.893   4.761
   18    HD3  ARG   3           HD3      ARG   3  -0.288   6.952   6.101
   19    HE   ARG   3           HE       ARG   3   1.933   8.598   6.856
   20   HH11  ARG   3          HH11      ARG   3  -1.508   8.527   6.335
   21   HH12  ARG   3          HH12      ARG   3  -1.829   9.856   7.399
   22   HH21  ARG   3          HH21      ARG   3   1.524  10.350   8.260
   23   HH22  ARG   3          HH22      ARG   3  -0.103  10.893   8.493
   24    H    ARG   4           H        ARG   4   5.560   7.524   4.469
   25    HA   ARG   4           HA       ARG   4   6.648   6.225   6.877
   26    HB2  ARG   4           HB2      ARG   4   8.191   6.353   4.942
   27    HB3  ARG   4           HB3      ARG   4   8.042   8.105   4.963
   28    HG2  ARG   4           HG2      ARG   4   9.347   8.337   6.813
   29    HG3  ARG   4           HG3      ARG   4   8.899   6.758   7.463
   30    HD2  ARG   4           HD2      ARG   4  10.458   6.856   4.933
   31    HD3  ARG   4           HD3      ARG   4  11.295   7.212   6.443
   32    HE   ARG   4           HE       ARG   4   9.752   4.807   6.575
   33   HH11  ARG   4          HH11      ARG   4  12.784   6.168   5.539
   34   HH12  ARG   4          HH12      ARG   4  13.643   4.667   5.646
   35   HH21  ARG   4          HH21      ARG   4  10.871   2.825   6.719
   36   HH22  ARG   4          HH22      ARG   4  12.554   2.767   6.316
   37    H    LEU   5           H        LEU   5   5.950   7.201   8.661
   38    HA   LEU   5           HA       LEU   5   5.967  10.144   8.734
   39    HB2  LEU   5           HB2      LEU   5   3.674   9.470   8.644
   40    HB3  LEU   5           HB3      LEU   5   3.927   8.258   9.897
   41    HG   LEU   5           HG       LEU   5   4.337  10.090  11.519
   42   HD11  LEU   5          HD11      LEU   5   3.513  11.840   9.207
   43   HD12  LEU   5          HD12      LEU   5   5.083  11.820  10.009
   44   HD13  LEU   5          HD13      LEU   5   3.654  12.371  10.883
   45   HD21  LEU   5          HD21      LEU   5   2.202   9.478  11.859
   46   HD22  LEU   5          HD22      LEU   5   1.801   9.539  10.142
   47   HD23  LEU   5          HD23      LEU   5   1.825  11.023  11.097
   48    H    CYS   6           H        CYS   6   7.019  11.040  10.405
   49    HA   CYS   6           HA       CYS   6   7.972   9.240  12.534
   50    HB2  CYS   6           HB2      CYS   6   9.278  11.767  11.502
   51    HB3  CYS   6           HB3      CYS   6   9.922  10.699  12.745
   52    H    TYR   7           H        TYR   7   7.264   9.631  14.518
   53    HA   TYR   7           HA       TYR   7   6.416  12.362  15.211
   54    HB2  TYR   7           HB2      TYR   7   4.581  10.478  14.745
   55    HB3  TYR   7           HB3      TYR   7   4.940  10.077  16.420
   56    HD1  TYR   7           HD1      TYR   7   4.555  13.295  14.550
   57    HD2  TYR   7           HD2      TYR   7   3.314  10.891  17.833
   58    HE1  TYR   7           HE1      TYR   7   3.056  15.097  15.295
   59    HE2  TYR   7           HE2      TYR   7   1.812  12.686  18.588
   60    HH   TYR   7           HH       TYR   7   1.968  15.846  17.373
   61    H    LYS   8           H        LYS   8   6.989  13.072  17.204
   62    HA   LYS   8           HA       LYS   8   8.237  13.201  19.106
   63    HB2  LYS   8           HB2      LYS   8   7.075  10.432  19.449
   64    HB3  LYS   8           HB3      LYS   8   7.898  11.326  20.722
   65    HG2  LYS   8           HG2      LYS   8   6.199  12.969  20.793
   66    HG3  LYS   8           HG3      LYS   8   5.470  12.378  19.298
   67    HD2  LYS   8           HD2      LYS   8   4.622  10.458  20.337
   68    HD3  LYS   8           HD3      LYS   8   5.700  10.626  21.724
   69    HE2  LYS   8           HE2      LYS   8   4.436  12.853  22.120
   70    HE3  LYS   8           HE3      LYS   8   3.211  12.155  21.063
   71    HZ1  LYS   8           HZ1      LYS   8   3.204  10.197  22.587
   72    HZ2  LYS   8           HZ2      LYS   8   2.622  11.627  23.278
   73    HZ3  LYS   8           HZ3      LYS   8   4.179  11.081  23.651
   74    H    GLN   9           H        GLN   9   9.736  12.516  16.868
   75    HA   GLN   9           HA       GLN   9  11.811  11.786  16.291
   76    HB2  GLN   9           HB2      GLN   9  12.216  11.018  19.177
   77    HB3  GLN   9           HB3      GLN   9  13.437  11.468  17.995
   78    HG2  GLN   9           HG2      GLN   9  11.341  13.313  19.117
   79    HG3  GLN   9           HG3      GLN   9  13.022  13.232  19.642
   80   HE21  GLN   9          HE21      GLN   9  14.304  14.689  18.785
   81   HE22  GLN   9          HE22      GLN   9  14.091  15.471  17.259
   82    H    ARG  10           H        ARG  10   9.603   9.992  16.110
   83    HA   ARG  10           HA       ARG  10  11.075   7.465  16.148
   84    HB2  ARG  10           HB2      ARG  10   9.687   7.537  18.202
   85    HB3  ARG  10           HB3      ARG  10   8.256   7.751  17.203
   86    HG2  ARG  10           HG2      ARG  10   8.734   5.564  16.137
   87    HG3  ARG  10           HG3      ARG  10  10.069   5.349  17.272
   88    HD2  ARG  10           HD2      ARG  10   7.351   5.980  18.323
   89    HD3  ARG  10           HD3      ARG  10   7.699   4.341  17.774
   90    HE   ARG  10           HE       ARG  10   8.647   5.598  20.166
   91   HH11  ARG  10          HH11      ARG  10   9.354   3.182  17.761
   92   HH12  ARG  10          HH12      ARG  10  10.363   2.244  18.813
   93   HH21  ARG  10          HH21      ARG  10   9.973   4.372  21.559
   94   HH22  ARG  10          HH22      ARG  10  10.713   2.921  20.972
   95    H    CYS  11           H        CYS  11  11.048   6.673  14.160
   96    HA   CYS  11           HA       CYS  11   8.862   7.419  12.354
   97    HB2  CYS  11           HB2      CYS  11  11.558   6.188  11.741
   98    HB3  CYS  11           HB3      CYS  11  10.365   6.688  10.547
   99    H    VAL  12           H        VAL  12   7.472   5.966  11.526
  100    HA   VAL  12           HA       VAL  12   8.036   3.111  11.766
  101    HB   VAL  12           HB       VAL  12   5.693   2.740  12.661
  102   HG11  VAL  12          HG11      VAL  12   6.403   2.810  14.898
  103   HG12  VAL  12          HG12      VAL  12   7.885   2.622  13.960
  104   HG13  VAL  12          HG13      VAL  12   7.448   4.201  14.613
  105   HG21  VAL  12          HG21      VAL  12   4.685   4.575  13.928
  106   HG22  VAL  12          HG22      VAL  12   5.953   5.664  13.367
  107   HG23  VAL  12          HG23      VAL  12   4.812   4.973  12.214
  108    H    THR  13           H        THR  13   6.961   1.834  10.278
  109    HA   THR  13           HA       THR  13   5.851   3.267   8.010
  110    HB   THR  13           HB       THR  13   6.022   0.287   8.055
  111    HG1  THR  13           HG1      THR  13   8.319   0.673   7.381
  112   HG21  THR  13          HG21      THR  13   6.350   2.492   6.049
  113   HG22  THR  13          HG22      THR  13   5.268   1.099   6.007
  114   HG23  THR  13          HG23      THR  13   6.996   0.883   5.730
  115    H    TYR  14           H        TYR  14   3.755   3.746   8.044
  116    HA   TYR  14           HA       TYR  14   1.881   1.899   9.338
  117    HB2  TYR  14           HB2      TYR  14   1.680   4.802   8.552
  118    HB3  TYR  14           HB3      TYR  14   0.268   3.861   9.022
  119    HD1  TYR  14           HD1      TYR  14   2.194   6.278  10.251
  120    HD2  TYR  14           HD2      TYR  14   1.134   2.282  11.258
  121    HE1  TYR  14           HE1      TYR  14   2.673   6.752  12.617
  122    HE2  TYR  14           HE2      TYR  14   1.610   2.746  13.626
  123    HH   TYR  14           HH       TYR  14   2.606   4.217  15.051
  124    H    CYS  15           H        CYS  15   0.986   0.443   8.046
  125    HA   CYS  15           HA       CYS  15   0.373   1.206   5.267
  126    HB2  CYS  15           HB2      CYS  15   0.810  -1.559   6.418
  127    HB3  CYS  15           HB3      CYS  15   0.467  -1.189   4.732
  128    H    ARG  16           H        ARG  16  -1.681   1.157   4.578
  129    HA   ARG  16           HA       ARG  16  -3.788   0.806   6.474
  130    HB2  ARG  16           HB2      ARG  16  -3.866   1.234   3.481
  131    HB3  ARG  16           HB3      ARG  16  -5.274   1.272   4.535
  132    HG2  ARG  16           HG2      ARG  16  -4.191   3.147   5.781
  133    HG3  ARG  16           HG3      ARG  16  -2.939   3.166   4.537
  134    HD2  ARG  16           HD2      ARG  16  -5.847   3.375   3.835
  135    HD3  ARG  16           HD3      ARG  16  -4.914   4.795   4.305
  136    HE   ARG  16           HE       ARG  16  -3.671   3.269   2.221
  137   HH11  ARG  16          HH11      ARG  16  -6.038   5.722   2.925
  138   HH12  ARG  16          HH12      ARG  16  -5.944   6.448   1.354
  139   HH21  ARG  16          HH21      ARG  16  -3.536   4.216   0.150
  140   HH22  ARG  16          HH22      ARG  16  -4.521   5.590  -0.223
  141    H    GLY  17           H        GLY  17  -4.797  -1.014   7.002
  142    HA2  GLY  17           HA2      GLY  17  -5.858  -2.925   5.363
  143    HA3  GLY  17           HA3      GLY  17  -4.208  -3.471   5.633
  144    H    ARG  18           H        ARG  18  -7.274  -3.860   6.663
  145    HA   ARG  18           HA       ARG  18  -6.398  -4.627   9.370
  146    HB2  ARG  18           HB2      ARG  18  -8.889  -3.243   8.460
  147    HB3  ARG  18           HB3      ARG  18  -8.957  -4.294   9.867
  148    HG2  ARG  18           HG2      ARG  18  -7.061  -2.944  10.827
  149    HG3  ARG  18           HG3      ARG  18  -7.312  -1.808   9.499
  150    HD2  ARG  18           HD2      ARG  18  -9.446  -1.219  10.257
  151    HD3  ARG  18           HD3      ARG  18  -9.570  -2.644  11.288
  152    HE   ARG  18           HE       ARG  18  -8.481  -1.497  12.941
  153   HH11  ARG  18          HH11      ARG  18  -8.025   0.162   9.914
  154   HH12  ARG  18          HH12      ARG  18  -7.266   1.543  10.635
  155   HH21  ARG  18          HH21      ARG  18  -7.482   0.316  13.902
  156   HH22  ARG  18          HH22      ARG  18  -6.957   1.629  12.903
  157    HN1  NH2  19           H1       NH2  19  -6.681  -6.701   9.896
  158    HN2  NH2  19           H2       NH2  19  -7.620  -7.865   9.072
  Start of MODEL   15
    1    H    PCA   1           H        PCA   1   4.038  -0.197  -0.663
    2    HA   PCA   1           HA       PCA   1   2.972   1.763  -0.924
    3    HB2  PCA   1           HB2      PCA   1   0.236   1.247  -0.861
    4    HB3  PCA   1           HB3      PCA   1   1.198   0.873  -2.301
    5    HG2  PCA   1           HG2      PCA   1   0.463  -1.007   0.007
    6    HG3  PCA   1           HG3      PCA   1   0.389  -1.333  -1.740
    7    H    CYS   2           H        CYS   2   3.863   2.241   0.972
    8    HA   CYS   2           HA       CYS   2   2.064   2.227   3.300
    9    HB2  CYS   2           HB2      CYS   2   5.057   1.821   3.434
   10    HB3  CYS   2           HB3      CYS   2   3.930   1.800   4.787
   11    H    ARG   3           H        ARG   3   2.841   3.849   4.992
   12    HA   ARG   3           HA       ARG   3   3.788   6.279   3.618
   13    HB2  ARG   3           HB2      ARG   3   1.701   5.916   5.758
   14    HB3  ARG   3           HB3      ARG   3   2.455   7.476   5.454
   15    HG2  ARG   3           HG2      ARG   3   1.723   7.056   2.997
   16    HG3  ARG   3           HG3      ARG   3   0.605   5.899   3.724
   17    HD2  ARG   3           HD2      ARG   3  -0.305   7.665   5.144
   18    HD3  ARG   3           HD3      ARG   3   0.826   8.821   4.442
   19    HE   ARG   3           HE       ARG   3  -0.586   9.037   2.666
   20   HH11  ARG   3          HH11      ARG   3  -1.299   6.043   4.294
   21   HH12  ARG   3          HH12      ARG   3  -2.681   5.687   3.313
   22   HH21  ARG   3          HH21      ARG   3  -2.405   8.580   1.368
   23   HH22  ARG   3          HH22      ARG   3  -3.309   7.130   1.647
   24    H    ARG   4           H        ARG   4   5.440   7.397   4.499
   25    HA   ARG   4           HA       ARG   4   6.665   6.270   6.914
   26    HB2  ARG   4           HB2      ARG   4   8.056   6.370   4.880
   27    HB3  ARG   4           HB3      ARG   4   7.843   8.115   4.829
   28    HG2  ARG   4           HG2      ARG   4   9.262   8.482   6.579
   29    HG3  ARG   4           HG3      ARG   4   8.957   6.901   7.301
   30    HD2  ARG   4           HD2      ARG   4  10.354   7.126   4.663
   31    HD3  ARG   4           HD3      ARG   4  11.243   7.364   6.167
   32    HE   ARG   4           HE       ARG   4   9.721   4.954   6.198
   33   HH11  ARG   4          HH11      ARG   4  12.671   6.390   5.032
   34   HH12  ARG   4          HH12      ARG   4  13.526   4.885   4.955
   35   HH21  ARG   4          HH21      ARG   4  10.836   2.967   6.099
   36   HH22  ARG   4          HH22      ARG   4  12.481   2.938   5.560
   37    H    LEU   5           H        LEU   5   5.909   7.263   8.685
   38    HA   LEU   5           HA       LEU   5   6.017  10.205   8.743
   39    HB2  LEU   5           HB2      LEU   5   3.712   9.680   8.690
   40    HB3  LEU   5           HB3      LEU   5   3.911   8.369   9.851
   41    HG   LEU   5           HG       LEU   5   4.421  10.067  11.594
   42   HD11  LEU   5          HD11      LEU   5   3.245  12.231   9.989
   43   HD12  LEU   5          HD12      LEU   5   4.890  11.769   9.553
   44   HD13  LEU   5          HD13      LEU   5   4.526  12.278  11.201
   45   HD21  LEU   5          HD21      LEU   5   1.950  11.112  11.308
   46   HD22  LEU   5          HD22      LEU   5   2.269   9.483  11.905
   47   HD23  LEU   5          HD23      LEU   5   1.845   9.734  10.211
   48    H    CYS   6           H        CYS   6   7.130  11.070  10.387
   49    HA   CYS   6           HA       CYS   6   8.006   9.262  12.542
   50    HB2  CYS   6           HB2      CYS   6   9.450  11.685  11.449
   51    HB3  CYS   6           HB3      CYS   6  10.042  10.601  12.704
   52    H    TYR   7           H        TYR   7   7.341   9.742  14.523
   53    HA   TYR   7           HA       TYR   7   6.664  12.532  15.157
   54    HB2  TYR   7           HB2      TYR   7   4.713  10.752  14.741
   55    HB3  TYR   7           HB3      TYR   7   5.054  10.374  16.426
   56    HD1  TYR   7           HD1      TYR   7   4.847  13.554  14.462
   57    HD2  TYR   7           HD2      TYR   7   3.504  11.332  17.832
   58    HE1  TYR   7           HE1      TYR   7   3.466  15.465  15.164
   59    HE2  TYR   7           HE2      TYR   7   2.118  13.236  18.543
   60    HH   TYR   7           HH       TYR   7   1.006  15.302  17.208
   61    H    LYS   8           H        LYS   8   7.289  13.247  17.134
   62    HA   LYS   8           HA       LYS   8   8.547  13.338  19.030
   63    HB2  LYS   8           HB2      LYS   8   7.172  10.676  19.402
   64    HB3  LYS   8           HB3      LYS   8   8.131  11.450  20.656
   65    HG2  LYS   8           HG2      LYS   8   6.623  13.289  20.782
   66    HG3  LYS   8           HG3      LYS   8   5.751  12.743  19.349
   67    HD2  LYS   8           HD2      LYS   8   4.380  12.024  21.075
   68    HD3  LYS   8           HD3      LYS   8   5.340  10.585  20.727
   69    HE2  LYS   8           HE2      LYS   8   6.754  10.984  22.603
   70    HE3  LYS   8           HE3      LYS   8   6.059  12.584  22.862
   71    HZ1  LYS   8           HZ1      LYS   8   5.299  10.541  24.280
   72    HZ2  LYS   8           HZ2      LYS   8   4.281  10.255  22.959
   73    HZ3  LYS   8           HZ3      LYS   8   4.184  11.720  23.800
   74    H    GLN   9           H        GLN   9   9.992  12.525  16.798
   75    HA   GLN   9           HA       GLN   9  12.019  11.667  16.226
   76    HB2  GLN   9           HB2      GLN   9  12.396  10.936  19.125
   77    HB3  GLN   9           HB3      GLN   9  13.635  11.291  17.928
   78    HG2  GLN   9           HG2      GLN   9  12.500  13.628  17.841
   79    HG3  GLN   9           HG3      GLN   9  11.839  13.158  19.406
   80   HE21  GLN   9          HE21      GLN   9  12.959  14.034  20.980
   81   HE22  GLN   9          HE22      GLN   9  14.677  14.203  21.044
   82    H    ARG  10           H        ARG  10   9.711   9.998  16.092
   83    HA   ARG  10           HA       ARG  10  11.038   7.393  16.176
   84    HB2  ARG  10           HB2      ARG  10   9.655   7.609  18.235
   85    HB3  ARG  10           HB3      ARG  10   8.237   7.839  17.220
   86    HG2  ARG  10           HG2      ARG  10   8.428   5.622  16.340
   87    HG3  ARG  10           HG3      ARG  10   9.976   5.384  17.153
   88    HD2  ARG  10           HD2      ARG  10   7.593   6.100  18.788
   89    HD3  ARG  10           HD3      ARG  10   7.732   4.453  18.174
   90    HE   ARG  10           HE       ARG  10  10.151   5.229  19.402
   91   HH11  ARG  10          HH11      ARG  10   6.871   4.350  20.171
   92   HH12  ARG  10          HH12      ARG  10   7.268   3.725  21.737
   93   HH21  ARG  10          HH21      ARG  10  10.685   4.410  21.462
   94   HH22  ARG  10          HH22      ARG  10   9.438   3.761  22.471
   95    H    CYS  11           H        CYS  11  10.954   6.564  14.204
   96    HA   CYS  11           HA       CYS  11   8.798   7.389  12.397
   97    HB2  CYS  11           HB2      CYS  11  11.426   6.018  11.791
   98    HB3  CYS  11           HB3      CYS  11  10.250   6.551  10.594
   99    H    VAL  12           H        VAL  12   7.393   5.967  11.492
  100    HA   VAL  12           HA       VAL  12   7.789   3.102  11.902
  101    HB   VAL  12           HB       VAL  12   5.391   2.885  12.660
  102   HG11  VAL  12          HG11      VAL  12   7.227   4.369  14.537
  103   HG12  VAL  12          HG12      VAL  12   5.910   3.283  14.984
  104   HG13  VAL  12          HG13      VAL  12   7.336   2.649  14.165
  105   HG21  VAL  12          HG21      VAL  12   4.409   4.868  13.767
  106   HG22  VAL  12          HG22      VAL  12   5.716   5.852  13.109
  107   HG23  VAL  12          HG23      VAL  12   4.570   5.066  12.023
  108    H    THR  13           H        THR  13   6.979   1.866  10.287
  109    HA   THR  13           HA       THR  13   5.926   3.250   7.965
  110    HB   THR  13           HB       THR  13   6.252   0.285   8.009
  111    HG1  THR  13           HG1      THR  13   8.267   0.476   8.606
  112   HG21  THR  13          HG21      THR  13   7.441   1.903   5.874
  113   HG22  THR  13          HG22      THR  13   5.700   2.121   6.059
  114   HG23  THR  13          HG23      THR  13   6.362   0.512   5.775
  115    H    TYR  14           H        TYR  14   3.817   3.547   7.730
  116    HA   TYR  14           HA       TYR  14   1.962   1.622   8.951
  117    HB2  TYR  14           HB2      TYR  14   1.631   4.503   8.122
  118    HB3  TYR  14           HB3      TYR  14   0.264   3.477   8.542
  119    HD1  TYR  14           HD1      TYR  14   1.844   6.059   9.830
  120    HD2  TYR  14           HD2      TYR  14   1.250   1.966  10.830
  121    HE1  TYR  14           HE1      TYR  14   2.179   6.597  12.207
  122    HE2  TYR  14           HE2      TYR  14   1.582   2.492  13.209
  123    HH   TYR  14           HH       TYR  14   1.645   4.216  14.722
  124    H    CYS  15           H        CYS  15   1.227   0.124   7.609
  125    HA   CYS  15           HA       CYS  15   0.781   0.846   4.789
  126    HB2  CYS  15           HB2      CYS  15   1.129  -1.945   5.889
  127    HB3  CYS  15           HB3      CYS  15   1.157  -1.444   4.201
  128    H    ARG  16           H        ARG  16  -1.139   0.265   3.783
  129    HA   ARG  16           HA       ARG  16  -3.386  -0.094   5.591
  130    HB2  ARG  16           HB2      ARG  16  -4.778   0.485   3.693
  131    HB3  ARG  16           HB3      ARG  16  -3.464   1.645   3.833
  132    HG2  ARG  16           HG2      ARG  16  -3.292   1.295   1.621
  133    HG3  ARG  16           HG3      ARG  16  -2.348  -0.108   2.131
  134    HD2  ARG  16           HD2      ARG  16  -4.761  -1.213   2.212
  135    HD3  ARG  16           HD3      ARG  16  -5.095   0.039   1.017
  136    HE   ARG  16           HE       ARG  16  -3.556  -2.332   0.631
  137   HH11  ARG  16          HH11      ARG  16  -3.904   0.984  -0.367
  138   HH12  ARG  16          HH12      ARG  16  -3.185   0.729  -1.922
  139   HH21  ARG  16          HH21      ARG  16  -2.608  -2.683  -1.414
  140   HH22  ARG  16          HH22      ARG  16  -2.449  -1.358  -2.517
  141    H    GLY  17           H        GLY  17  -4.457  -1.947   5.873
  142    HA2  GLY  17           HA2      GLY  17  -5.360  -3.854   4.318
  143    HA3  GLY  17           HA3      GLY  17  -3.650  -4.255   4.258
  144    H    ARG  18           H        ARG  18  -6.359  -5.270   5.585
  145    HA   ARG  18           HA       ARG  18  -5.465  -5.589   8.325
  146    HB2  ARG  18           HB2      ARG  18  -7.903  -6.732   6.951
  147    HB3  ARG  18           HB3      ARG  18  -7.597  -6.716   8.682
  148    HG2  ARG  18           HG2      ARG  18  -7.709  -4.288   8.700
  149    HG3  ARG  18           HG3      ARG  18  -7.960  -4.277   6.955
  150    HD2  ARG  18           HD2      ARG  18  -9.986  -5.789   7.462
  151    HD3  ARG  18           HD3      ARG  18  -9.803  -5.221   9.121
  152    HE   ARG  18           HE       ARG  18  -9.830  -2.956   7.564
  153   HH11  ARG  18          HH11      ARG  18 -11.974  -5.636   8.151
  154   HH12  ARG  18          HH12      ARG  18 -13.414  -4.716   7.859
  155   HH21  ARG  18          HH21      ARG  18 -11.718  -1.735   7.178
  156   HH22  ARG  18          HH22      ARG  18 -13.267  -2.498   7.305
  157    HN1  NH2  19           H1       NH2  19  -5.414  -7.747   9.331
  158    HN2  NH2  19           H2       NH2  19  -4.782  -9.085   8.479
  Start of MODEL   16
    1    H    PCA   1           H        PCA   1   2.517   0.490  -0.882
    2    HA   PCA   1           HA       PCA   1   1.068   2.181  -0.591
    3    HB2  PCA   1           HB2      PCA   1  -1.273   1.109   0.470
    4    HB3  PCA   1           HB3      PCA   1  -0.885   0.920  -1.249
    5    HG2  PCA   1           HG2      PCA   1  -0.289  -1.034   1.038
    6    HG3  PCA   1           HG3      PCA   1  -0.964  -1.396  -0.567
    7    H    CYS   2           H        CYS   2   2.874   2.305   0.894
    8    HA   CYS   2           HA       CYS   2   1.948   2.328   3.690
    9    HB2  CYS   2           HB2      CYS   2   4.774   1.746   2.783
   10    HB3  CYS   2           HB3      CYS   2   4.177   1.731   4.439
   11    H    ARG   3           H        ARG   3   2.702   4.030   4.992
   12    HA   ARG   3           HA       ARG   3   3.892   6.277   3.500
   13    HB2  ARG   3           HB2      ARG   3   1.751   6.305   5.628
   14    HB3  ARG   3           HB3      ARG   3   2.606   7.749   5.101
   15    HG2  ARG   3           HG2      ARG   3   1.118   5.985   3.184
   16    HG3  ARG   3           HG3      ARG   3   0.338   7.302   4.062
   17    HD2  ARG   3           HD2      ARG   3   2.731   7.580   2.247
   18    HD3  ARG   3           HD3      ARG   3   1.070   7.978   1.813
   19    HE   ARG   3           HE       ARG   3   2.863   9.536   3.441
   20   HH11  ARG   3          HH11      ARG   3  -0.460   8.890   2.624
   21   HH12  ARG   3          HH12      ARG   3  -1.026  10.443   3.143
   22   HH21  ARG   3          HH21      ARG   3   2.129  11.585   4.126
   23   HH22  ARG   3          HH22      ARG   3   0.448  11.976   3.996
   24    H    ARG   4           H        ARG   4   5.535   7.399   4.445
   25    HA   ARG   4           HA       ARG   4   6.628   6.243   6.907
   26    HB2  ARG   4           HB2      ARG   4   7.924   6.546   4.642
   27    HB3  ARG   4           HB3      ARG   4   8.115   8.202   5.202
   28    HG2  ARG   4           HG2      ARG   4   9.024   7.170   7.360
   29    HG3  ARG   4           HG3      ARG   4   9.158   5.678   6.428
   30    HD2  ARG   4           HD2      ARG   4  11.267   6.748   6.294
   31    HD3  ARG   4           HD3      ARG   4  10.482   6.989   4.734
   32    HE   ARG   4           HE       ARG   4   9.970   9.163   6.490
   33   HH11  ARG   4          HH11      ARG   4  12.410   7.778   4.428
   34   HH12  ARG   4          HH12      ARG   4  13.194   9.292   4.121
   35   HH21  ARG   4          HH21      ARG   4  10.995  11.162   6.092
   36   HH22  ARG   4          HH22      ARG   4  12.389  11.216   5.069
   37    H    LEU   5           H        LEU   5   5.922   7.266   8.672
   38    HA   LEU   5           HA       LEU   5   6.075  10.206   8.708
   39    HB2  LEU   5           HB2      LEU   5   3.744   9.540   8.619
   40    HB3  LEU   5           HB3      LEU   5   3.979   8.461   9.993
   41    HG   LEU   5           HG       LEU   5   4.605  10.605  11.286
   42   HD11  LEU   5          HD11      LEU   5   4.192  12.635  10.406
   43   HD12  LEU   5          HD12      LEU   5   2.797  12.072   9.487
   44   HD13  LEU   5          HD13      LEU   5   4.427  11.796   8.873
   45   HD21  LEU   5          HD21      LEU   5   1.754  10.216  10.383
   46   HD22  LEU   5          HD22      LEU   5   2.299  10.966  11.884
   47   HD23  LEU   5          HD23      LEU   5   2.564   9.243  11.611
   48    H    CYS   6           H        CYS   6   7.106  11.098  10.408
   49    HA   CYS   6           HA       CYS   6   8.006   9.276  12.543
   50    HB2  CYS   6           HB2      CYS   6   9.426  11.726  11.477
   51    HB3  CYS   6           HB3      CYS   6  10.021  10.646  12.735
   52    H    TYR   7           H        TYR   7   7.316   9.728  14.522
   53    HA   TYR   7           HA       TYR   7   6.590  12.503  15.173
   54    HB2  TYR   7           HB2      TYR   7   4.679  10.682  14.743
   55    HB3  TYR   7           HB3      TYR   7   5.019  10.314  16.431
   56    HD1  TYR   7           HD1      TYR   7   4.760  13.486  14.461
   57    HD2  TYR   7           HD2      TYR   7   3.440  11.240  17.825
   58    HE1  TYR   7           HE1      TYR   7   3.335  15.369  15.152
   59    HE2  TYR   7           HE2      TYR   7   2.012  13.117  18.525
   60    HH   TYR   7           HH       TYR   7   2.216  16.236  17.036
   61    H    LYS   8           H        LYS   8   7.212  13.222  17.145
   62    HA   LYS   8           HA       LYS   8   8.467  13.326  19.045
   63    HB2  LYS   8           HB2      LYS   8   7.292  10.577  19.496
   64    HB3  LYS   8           HB3      LYS   8   7.998  11.611  20.730
   65    HG2  LYS   8           HG2      LYS   8   5.793  12.773  19.148
   66    HG3  LYS   8           HG3      LYS   8   5.371  11.464  20.255
   67    HD2  LYS   8           HD2      LYS   8   7.046  13.790  21.150
   68    HD3  LYS   8           HD3      LYS   8   5.282  13.879  21.137
   69    HE2  LYS   8           HE2      LYS   8   5.084  12.134  22.709
   70    HE3  LYS   8           HE3      LYS   8   6.766  11.649  22.500
   71    HZ1  LYS   8           HZ1      LYS   8   6.425  14.375  23.375
   72    HZ2  LYS   8           HZ2      LYS   8   7.461  13.172  23.959
   73    HZ3  LYS   8           HZ3      LYS   8   5.853  13.228  24.480
   74    H    GLN   9           H        GLN   9   9.926  12.535  16.815
   75    HA   GLN   9           HA       GLN   9  11.964  11.702  16.246
   76    HB2  GLN   9           HB2      GLN   9  12.342  10.969  19.145
   77    HB3  GLN   9           HB3      GLN   9  13.579  11.340  17.952
   78    HG2  GLN   9           HG2      GLN   9  12.830  13.659  17.886
   79    HG3  GLN   9           HG3      GLN   9  11.582  13.291  19.074
   80   HE21  GLN   9          HE21      GLN   9  12.625  15.015  20.286
   81   HE22  GLN   9          HE22      GLN   9  13.997  14.641  21.265
   82    H    ARG  10           H        ARG  10   9.676  10.007  16.102
   83    HA   ARG  10           HA       ARG  10  11.033   7.417  16.183
   84    HB2  ARG  10           HB2      ARG  10   9.644   7.611  18.239
   85    HB3  ARG  10           HB3      ARG  10   8.226   7.829  17.222
   86    HG2  ARG  10           HG2      ARG  10   8.308   5.628  16.436
   87    HG3  ARG  10           HG3      ARG  10   9.970   5.404  16.985
   88    HD2  ARG  10           HD2      ARG  10   9.350   5.088  19.172
   89    HD3  ARG  10           HD3      ARG  10   7.874   6.039  19.000
   90    HE   ARG  10           HE       ARG  10   8.150   3.230  18.625
   91   HH11  ARG  10          HH11      ARG  10   6.415   6.037  17.518
   92   HH12  ARG  10          HH12      ARG  10   5.023   5.139  17.011
   93   HH21  ARG  10          HH21      ARG  10   6.322   2.035  17.962
   94   HH22  ARG  10          HH22      ARG  10   4.971   2.862  17.266
   95    H    CYS  11           H        CYS  11  10.960   6.586  14.212
   96    HA   CYS  11           HA       CYS  11   8.785   7.380  12.409
   97    HB2  CYS  11           HB2      CYS  11  11.423   6.056  11.746
   98    HB3  CYS  11           HB3      CYS  11  10.245   6.668  10.590
   99    H    VAL  12           H        VAL  12   7.405   5.931  11.523
  100    HA   VAL  12           HA       VAL  12   7.901   3.074  11.861
  101    HB   VAL  12           HB       VAL  12   5.535   2.760  12.686
  102   HG11  VAL  12          HG11      VAL  12   7.550   4.165  14.432
  103   HG12  VAL  12          HG12      VAL  12   6.116   3.340  15.046
  104   HG13  VAL  12          HG13      VAL  12   7.363   2.428  14.194
  105   HG21  VAL  12          HG21      VAL  12   5.779   5.725  13.176
  106   HG22  VAL  12          HG22      VAL  12   4.609   4.913  12.136
  107   HG23  VAL  12          HG23      VAL  12   4.538   4.692  13.884
  108    H    THR  13           H        THR  13   6.997   1.818  10.290
  109    HA   THR  13           HA       THR  13   5.910   3.214   7.993
  110    HB   THR  13           HB       THR  13   6.171   0.241   8.043
  111    HG1  THR  13           HG1      THR  13   8.291   0.293   8.228
  112   HG21  THR  13          HG21      THR  13   5.939   2.348   6.098
  113   HG22  THR  13          HG22      THR  13   5.833   0.602   5.869
  114   HG23  THR  13          HG23      THR  13   7.401   1.407   5.806
  115    H    TYR  14           H        TYR  14   3.811   3.460   7.648
  116    HA   TYR  14           HA       TYR  14   1.937   1.629   8.992
  117    HB2  TYR  14           HB2      TYR  14   1.642   4.495   8.096
  118    HB3  TYR  14           HB3      TYR  14   0.265   3.502   8.563
  119    HD1  TYR  14           HD1      TYR  14   1.956   6.079   9.754
  120    HD2  TYR  14           HD2      TYR  14   1.214   2.043  10.878
  121    HE1  TYR  14           HE1      TYR  14   2.335   6.672  12.111
  122    HE2  TYR  14           HE2      TYR  14   1.590   2.624  13.237
  123    HH   TYR  14           HH       TYR  14   1.377   4.915  14.626
  124    H    CYS  15           H        CYS  15   1.173   0.107   7.692
  125    HA   CYS  15           HA       CYS  15   0.628   0.800   4.879
  126    HB2  CYS  15           HB2      CYS  15   1.218  -1.946   6.001
  127    HB3  CYS  15           HB3      CYS  15   1.023  -1.521   4.303
  128    H    ARG  16           H        ARG  16  -1.378   0.489   4.092
  129    HA   ARG  16           HA       ARG  16  -3.501  -0.058   5.939
  130    HB2  ARG  16           HB2      ARG  16  -3.506   0.447   2.959
  131    HB3  ARG  16           HB3      ARG  16  -4.961   0.267   3.931
  132    HG2  ARG  16           HG2      ARG  16  -4.476   2.246   5.163
  133    HG3  ARG  16           HG3      ARG  16  -2.870   2.366   4.442
  134    HD2  ARG  16           HD2      ARG  16  -4.248   3.945   3.325
  135    HD3  ARG  16           HD3      ARG  16  -4.001   2.600   2.211
  136    HE   ARG  16           HE       ARG  16  -6.247   2.172   2.289
  137   HH11  ARG  16          HH11      ARG  16  -5.389   4.244   4.953
  138   HH12  ARG  16          HH12      ARG  16  -7.031   4.528   5.431
  139   HH21  ARG  16          HH21      ARG  16  -8.412   2.539   2.908
  140   HH22  ARG  16          HH22      ARG  16  -8.749   3.557   4.267
  141    H    GLY  17           H        GLY  17  -4.396  -1.961   6.381
  142    HA2  GLY  17           HA2      GLY  17  -4.556  -4.032   4.351
  143    HA3  GLY  17           HA3      GLY  17  -3.539  -4.416   5.733
  144    H    ARG  18           H        ARG  18  -4.516  -5.552   7.257
  145    HA   ARG  18           HA       ARG  18  -7.360  -5.878   7.282
  146    HB2  ARG  18           HB2      ARG  18  -5.150  -6.902   9.058
  147    HB3  ARG  18           HB3      ARG  18  -6.845  -7.256   9.362
  148    HG2  ARG  18           HG2      ARG  18  -7.048  -8.449   7.316
  149    HG3  ARG  18           HG3      ARG  18  -5.458  -7.907   6.776
  150    HD2  ARG  18           HD2      ARG  18  -5.122 -10.108   7.512
  151    HD3  ARG  18           HD3      ARG  18  -4.538  -9.097   8.832
  152    HE   ARG  18           HE       ARG  18  -7.235  -9.718   9.288
  153   HH11  ARG  18          HH11      ARG  18  -4.111 -11.252   9.218
  154   HH12  ARG  18          HH12      ARG  18  -4.539 -12.471  10.371
  155   HH21  ARG  18          HH21      ARG  18  -7.811 -11.317  10.809
  156   HH22  ARG  18          HH22      ARG  18  -6.644 -12.508  11.275
  157    HN1  NH2  19           H1       NH2  19  -7.919  -3.614   7.634
  158    HN2  NH2  19           H2       NH2  19  -7.971  -2.951   9.207
  Start of MODEL   17
    1    H    PCA   1           H        PCA   1   0.817  -1.043  -0.455
    2    HA   PCA   1           HA       PCA   1   2.578   0.350  -0.388
    3    HB2  PCA   1           HB2      PCA   1   1.615   2.939  -0.747
    4    HB3  PCA   1           HB3      PCA   1   1.762   1.826  -2.118
    5    HG2  PCA   1           HG2      PCA   1  -0.711   2.355  -0.385
    6    HG3  PCA   1           HG3      PCA   1  -0.616   2.246  -2.157
    7    H    CYS   2           H        CYS   2   3.393   1.961   1.030
    8    HA   CYS   2           HA       CYS   2   1.836   2.301   3.503
    9    HB2  CYS   2           HB2      CYS   2   4.768   1.566   3.425
   10    HB3  CYS   2           HB3      CYS   2   3.744   1.706   4.851
   11    H    ARG   3           H        ARG   3   2.749   3.983   4.950
   12    HA   ARG   3           HA       ARG   3   4.067   6.115   3.398
   13    HB2  ARG   3           HB2      ARG   3   1.977   6.428   5.561
   14    HB3  ARG   3           HB3      ARG   3   2.777   7.743   4.711
   15    HG2  ARG   3           HG2      ARG   3   1.140   5.658   3.299
   16    HG3  ARG   3           HG3      ARG   3   0.451   7.153   3.938
   17    HD2  ARG   3           HD2      ARG   3   2.689   6.966   1.923
   18    HD3  ARG   3           HD3      ARG   3   1.006   7.335   1.554
   19    HE   ARG   3           HE       ARG   3   1.701   9.218   3.388
   20   HH11  ARG   3          HH11      ARG   3   3.030   8.183   0.342
   21   HH12  ARG   3          HH12      ARG   3   3.672   9.742  -0.056
   22   HH21  ARG   3          HH21      ARG   3   2.540  11.275   2.876
   23   HH22  ARG   3          HH22      ARG   3   3.393  11.500   1.387
   24    H    ARG   4           H        ARG   4   5.565   7.423   4.469
   25    HA   ARG   4           HA       ARG   4   6.649   6.231   6.925
   26    HB2  ARG   4           HB2      ARG   4   8.050   6.486   4.783
   27    HB3  ARG   4           HB3      ARG   4   8.076   8.205   5.157
   28    HG2  ARG   4           HG2      ARG   4   9.363   7.906   7.056
   29    HG3  ARG   4           HG3      ARG   4   8.921   6.204   7.208
   30    HD2  ARG   4           HD2      ARG   4  10.173   5.814   5.052
   31    HD3  ARG   4           HD3      ARG   4  10.777   7.463   5.201
   32    HE   ARG   4           HE       ARG   4  11.276   6.061   7.590
   33   HH11  ARG   4          HH11      ARG   4  12.323   6.205   4.273
   34   HH12  ARG   4          HH12      ARG   4  13.925   5.641   4.617
   35   HH21  ARG   4          HH21      ARG   4  13.382   5.316   8.056
   36   HH22  ARG   4          HH22      ARG   4  14.526   5.135   6.769
   37    H    LEU   5           H        LEU   5   5.916   7.219   8.694
   38    HA   LEU   5           HA       LEU   5   5.960  10.162   8.749
   39    HB2  LEU   5           HB2      LEU   5   3.651   9.110   8.644
   40    HB3  LEU   5           HB3      LEU   5   3.975   8.485  10.259
   41    HG   LEU   5           HG       LEU   5   4.399  10.981  10.855
   42   HD11  LEU   5          HD11      LEU   5   3.986  11.357   8.204
   43   HD12  LEU   5          HD12      LEU   5   3.745  12.593   9.439
   44   HD13  LEU   5          HD13      LEU   5   2.371  11.660   8.846
   45   HD21  LEU   5          HD21      LEU   5   2.099   9.293  10.853
   46   HD22  LEU   5          HD22      LEU   5   1.591  10.958  10.570
   47   HD23  LEU   5          HD23      LEU   5   2.547  10.557  11.998
   48    H    CYS   6           H        CYS   6   7.126  11.018  10.346
   49    HA   CYS   6           HA       CYS   6   7.999   9.236  12.524
   50    HB2  CYS   6           HB2      CYS   6   9.364  11.717  11.459
   51    HB3  CYS   6           HB3      CYS   6   9.984  10.651  12.716
   52    H    TYR   7           H        TYR   7   7.301   9.672  14.504
   53    HA   TYR   7           HA       TYR   7   6.520  12.430  15.160
   54    HB2  TYR   7           HB2      TYR   7   4.640  10.583  14.719
   55    HB3  TYR   7           HB3      TYR   7   4.988  10.202  16.402
   56    HD1  TYR   7           HD1      TYR   7   4.667  13.389  14.464
   57    HD2  TYR   7           HD2      TYR   7   3.397  11.088  17.810
   58    HE1  TYR   7           HE1      TYR   7   3.211  15.240  15.177
   59    HE2  TYR   7           HE2      TYR   7   1.937  12.931  18.531
   60    HH   TYR   7           HH       TYR   7   1.432  15.109  18.221
   61    H    LYS   8           H        LYS   8   7.108  13.152  17.145
   62    HA   LYS   8           HA       LYS   8   8.357  13.274  19.047
   63    HB2  LYS   8           HB2      LYS   8   7.121  10.540  19.416
   64    HB3  LYS   8           HB3      LYS   8   7.980  11.414  20.679
   65    HG2  LYS   8           HG2      LYS   8   6.312  12.980  20.920
   66    HG3  LYS   8           HG3      LYS   8   5.686  12.719  19.291
   67    HD2  LYS   8           HD2      LYS   8   4.797  10.557  19.955
   68    HD3  LYS   8           HD3      LYS   8   5.483  10.750  21.570
   69    HE2  LYS   8           HE2      LYS   8   3.653  12.859  20.536
   70    HE3  LYS   8           HE3      LYS   8   2.957  11.326  21.062
   71    HZ1  LYS   8           HZ1      LYS   8   4.875  12.654  22.832
   72    HZ2  LYS   8           HZ2      LYS   8   3.535  11.697  23.218
   73    HZ3  LYS   8           HZ3      LYS   8   3.316  13.300  22.727
   74    H    GLN   9           H        GLN   9   9.841  12.533  16.820
   75    HA   GLN   9           HA       GLN   9  11.899  11.747  16.252
   76    HB2  GLN   9           HB2      GLN   9  12.266  11.030  19.158
   77    HB3  GLN   9           HB3      GLN   9  13.515  11.384  17.971
   78    HG2  GLN   9           HG2      GLN   9  12.410  13.707  17.834
   79    HG3  GLN   9           HG3      GLN   9  11.652  13.261  19.362
   80   HE21  GLN   9          HE21      GLN   9  14.576  14.153  17.767
   81   HE22  GLN   9          HE22      GLN   9  15.552  14.316  19.184
   82    H    ARG  10           H        ARG  10   9.652  10.002  16.091
   83    HA   ARG  10           HA       ARG  10  11.068   7.443  16.161
   84    HB2  ARG  10           HB2      ARG  10   9.660   7.603  18.214
   85    HB3  ARG  10           HB3      ARG  10   8.244   7.775  17.185
   86    HG2  ARG  10           HG2      ARG  10   8.337   5.581  16.465
   87    HG3  ARG  10           HG3      ARG  10  10.045   5.412  16.877
   88    HD2  ARG  10           HD2      ARG  10   9.572   5.293  19.192
   89    HD3  ARG  10           HD3      ARG  10   7.909   5.831  18.952
   90    HE   ARG  10           HE       ARG  10   8.424   3.403  17.565
   91   HH11  ARG  10          HH11      ARG  10   7.783   4.716  20.725
   92   HH12  ARG  10          HH12      ARG  10   7.079   3.254  21.333
   93   HH21  ARG  10          HH21      ARG  10   7.499   1.473  18.353
   94   HH22  ARG  10          HH22      ARG  10   6.919   1.410  19.983
   95    H    CYS  11           H        CYS  11  11.024   6.627  14.184
   96    HA   CYS  11           HA       CYS  11   8.856   7.398  12.367
   97    HB2  CYS  11           HB2      CYS  11  11.522   6.098  11.769
   98    HB3  CYS  11           HB3      CYS  11  10.342   6.617  10.569
   99    H    VAL  12           H        VAL  12   7.459   5.956  11.510
  100    HA   VAL  12           HA       VAL  12   7.950   3.096  11.829
  101    HB   VAL  12           HB       VAL  12   5.574   2.803  12.666
  102   HG11  VAL  12          HG11      VAL  12   7.612   4.142  14.440
  103   HG12  VAL  12          HG12      VAL  12   6.199   3.256  15.019
  104   HG13  VAL  12          HG13      VAL  12   7.460   2.415  14.115
  105   HG21  VAL  12          HG21      VAL  12   4.568   4.681  13.853
  106   HG22  VAL  12          HG22      VAL  12   5.891   5.728  13.341
  107   HG23  VAL  12          HG23      VAL  12   4.780   5.062  12.144
  108    H    THR  13           H        THR  13   6.972   1.833  10.292
  109    HA   THR  13           HA       THR  13   5.904   3.240   7.993
  110    HB   THR  13           HB       THR  13   6.080   0.262   8.063
  111    HG1  THR  13           HG1      THR  13   8.300   2.045   8.034
  112   HG21  THR  13          HG21      THR  13   6.746   2.375   6.011
  113   HG22  THR  13          HG22      THR  13   5.315   1.345   6.035
  114   HG23  THR  13          HG23      THR  13   6.907   0.638   5.760
  115    H    TYR  14           H        TYR  14   3.806   3.621   7.792
  116    HA   TYR  14           HA       TYR  14   1.900   1.810   9.110
  117    HB2  TYR  14           HB2      TYR  14   1.693   4.701   8.275
  118    HB3  TYR  14           HB3      TYR  14   0.284   3.750   8.732
  119    HD1  TYR  14           HD1      TYR  14   2.075   6.234   9.967
  120    HD2  TYR  14           HD2      TYR  14   1.199   2.202  11.004
  121    HE1  TYR  14           HE1      TYR  14   2.497   6.757  12.334
  122    HE2  TYR  14           HE2      TYR  14   1.618   2.714  13.374
  123    HH   TYR  14           HH       TYR  14   2.113   5.980  14.487
  124    H    CYS  15           H        CYS  15   0.894   0.404   7.853
  125    HA   CYS  15           HA       CYS  15   0.476   1.087   5.018
  126    HB2  CYS  15           HB2      CYS  15   0.597  -1.698   6.182
  127    HB3  CYS  15           HB3      CYS  15   0.621  -1.243   4.480
  128    H    ARG  16           H        ARG  16  -1.508   0.619   4.058
  129    HA   ARG  16           HA       ARG  16  -3.739   0.538   5.925
  130    HB2  ARG  16           HB2      ARG  16  -5.115   1.172   4.034
  131    HB3  ARG  16           HB3      ARG  16  -3.699   2.212   4.105
  132    HG2  ARG  16           HG2      ARG  16  -3.614   1.768   1.903
  133    HG3  ARG  16           HG3      ARG  16  -2.783   0.310   2.449
  134    HD2  ARG  16           HD2      ARG  16  -5.280  -0.580   2.621
  135    HD3  ARG  16           HD3      ARG  16  -5.532   0.652   1.384
  136    HE   ARG  16           HE       ARG  16  -3.356  -0.754   0.521
  137   HH11  ARG  16          HH11      ARG  16  -6.624  -1.561   1.409
  138   HH12  ARG  16          HH12      ARG  16  -6.722  -2.912   0.328
  139   HH21  ARG  16          HH21      ARG  16  -3.473  -2.530  -0.906
  140   HH22  ARG  16          HH22      ARG  16  -4.929  -3.463  -0.987
  141    H    GLY  17           H        GLY  17  -4.967  -1.198   6.296
  142    HA2  GLY  17           HA2      GLY  17  -4.416  -3.622   4.741
  143    HA3  GLY  17           HA3      GLY  17  -5.181  -3.562   6.321
  144    H    ARG  18           H        ARG  18  -6.138  -5.023   4.075
  145    HA   ARG  18           HA       ARG  18  -8.180  -3.699   2.673
  146    HB2  ARG  18           HB2      ARG  18  -7.555  -6.554   3.290
  147    HB3  ARG  18           HB3      ARG  18  -9.130  -6.161   2.614
  148    HG2  ARG  18           HG2      ARG  18  -8.094  -5.163   0.675
  149    HG3  ARG  18           HG3      ARG  18  -6.492  -5.424   1.367
  150    HD2  ARG  18           HD2      ARG  18  -8.473  -7.551   0.564
  151    HD3  ARG  18           HD3      ARG  18  -6.983  -7.133  -0.282
  152    HE   ARG  18           HE       ARG  18  -7.242  -8.759   2.074
  153   HH11  ARG  18          HH11      ARG  18  -5.114  -6.729   0.212
  154   HH12  ARG  18          HH12      ARG  18  -3.667  -7.458   0.828
  155   HH21  ARG  18          HH21      ARG  18  -5.346  -9.727   2.892
  156   HH22  ARG  18          HH22      ARG  18  -3.801  -9.163   2.352
  157    HN1  NH2  19           H1       NH2  19 -10.364  -3.466   3.039
  158    HN2  NH2  19           H2       NH2  19 -11.140  -3.699   4.541
  Start of MODEL   18
    1    H    PCA   1           H        PCA   1   1.264  -0.358  -1.184
    2    HA   PCA   1           HA       PCA   1   3.008   1.024  -0.876
    3    HB2  PCA   1           HB2      PCA   1   2.047   3.635  -1.014
    4    HB3  PCA   1           HB3      PCA   1   2.276   2.673  -2.483
    5    HG2  PCA   1           HG2      PCA   1  -0.291   3.012  -0.841
    6    HG3  PCA   1           HG3      PCA   1  -0.100   3.090  -2.608
    7    H    CYS   2           H        CYS   2   3.733   2.482   0.744
    8    HA   CYS   2           HA       CYS   2   2.036   2.603   3.140
    9    HB2  CYS   2           HB2      CYS   2   4.937   1.756   3.182
   10    HB3  CYS   2           HB3      CYS   2   3.820   1.793   4.542
   11    H    ARG   3           H        ARG   3   2.793   4.144   4.759
   12    HA   ARG   3           HA       ARG   3   4.435   6.294   3.590
   13    HB2  ARG   3           HB2      ARG   3   2.988   7.881   4.907
   14    HB3  ARG   3           HB3      ARG   3   2.188   7.085   3.558
   15    HG2  ARG   3           HG2      ARG   3   0.867   5.793   4.923
   16    HG3  ARG   3           HG3      ARG   3   1.991   5.891   6.281
   17    HD2  ARG   3           HD2      ARG   3   0.825   7.581   7.124
   18    HD3  ARG   3           HD3      ARG   3   1.132   8.523   5.667
   19    HE   ARG   3           HE       ARG   3  -1.303   7.186   6.381
   20   HH11  ARG   3          HH11      ARG   3   0.630   8.371   3.739
   21   HH12  ARG   3          HH12      ARG   3  -0.716   8.543   2.661
   22   HH21  ARG   3          HH21      ARG   3  -3.082   7.408   4.971
   23   HH22  ARG   3          HH22      ARG   3  -2.827   7.996   3.363
   24    H    ARG   4           H        ARG   4   5.982   7.180   4.861
   25    HA   ARG   4           HA       ARG   4   6.422   5.911   7.460
   26    HB2  ARG   4           HB2      ARG   4   8.228   5.974   5.699
   27    HB3  ARG   4           HB3      ARG   4   8.302   7.715   5.934
   28    HG2  ARG   4           HG2      ARG   4   8.955   7.404   8.247
   29    HG3  ARG   4           HG3      ARG   4   8.808   5.654   8.071
   30    HD2  ARG   4           HD2      ARG   4  10.676   7.356   6.431
   31    HD3  ARG   4           HD3      ARG   4  11.148   6.543   7.923
   32    HE   ARG   4           HE       ARG   4  10.130   4.533   6.438
   33   HH11  ARG   4          HH11      ARG   4  12.510   6.992   5.797
   34   HH12  ARG   4          HH12      ARG   4  13.411   6.015   4.688
   35   HH21  ARG   4          HH21      ARG   4  11.309   3.236   4.979
   36   HH22  ARG   4          HH22      ARG   4  12.728   3.878   4.222
   37    H    LEU   5           H        LEU   5   5.356   6.950   9.037
   38    HA   LEU   5           HA       LEU   5   5.357   9.882   9.068
   39    HB2  LEU   5           HB2      LEU   5   3.298   8.243   9.427
   40    HB3  LEU   5           HB3      LEU   5   3.877   8.290  11.091
   41    HG   LEU   5           HG       LEU   5   2.071   9.892  10.711
   42   HD11  LEU   5          HD11      LEU   5   2.998  11.558  11.970
   43   HD12  LEU   5          HD12      LEU   5   4.488  11.598  11.027
   44   HD13  LEU   5          HD13      LEU   5   4.211  10.297  12.187
   45   HD21  LEU   5          HD21      LEU   5   3.091  10.258   8.248
   46   HD22  LEU   5          HD22      LEU   5   3.753  11.672   9.067
   47   HD23  LEU   5          HD23      LEU   5   2.010  11.406   9.038
   48    H    CYS   6           H        CYS   6   6.890  10.851  10.204
   49    HA   CYS   6           HA       CYS   6   8.118   9.427  12.456
   50    HB2  CYS   6           HB2      CYS   6   9.067  11.833  10.888
   51    HB3  CYS   6           HB3      CYS   6   9.929  11.120  12.247
   52    H    TYR   7           H        TYR   7   7.669  10.006  14.472
   53    HA   TYR   7           HA       TYR   7   6.950  12.770  15.071
   54    HB2  TYR   7           HB2      TYR   7   4.941  10.958  14.710
   55    HB3  TYR   7           HB3      TYR   7   5.231  10.808  16.439
   56    HD1  TYR   7           HD1      TYR   7   5.112  13.657  14.012
   57    HD2  TYR   7           HD2      TYR   7   3.740  12.027  17.695
   58    HE1  TYR   7           HE1      TYR   7   3.777  15.685  14.405
   59    HE2  TYR   7           HE2      TYR   7   2.400  14.050  18.098
   60    HH   TYR   7           HH       TYR   7   2.679  16.654  17.179
   61    H    LYS   8           H        LYS   8   7.666  13.448  17.021
   62    HA   LYS   8           HA       LYS   8   8.934  13.466  18.912
   63    HB2  LYS   8           HB2      LYS   8   7.499  10.840  19.350
   64    HB3  LYS   8           HB3      LYS   8   8.385  11.722  20.588
   65    HG2  LYS   8           HG2      LYS   8   6.807  13.410  20.700
   66    HG3  LYS   8           HG3      LYS   8   6.156  13.045  19.100
   67    HD2  LYS   8           HD2      LYS   8   4.595  12.337  20.816
   68    HD3  LYS   8           HD3      LYS   8   5.251  10.927  19.980
   69    HE2  LYS   8           HE2      LYS   8   6.774  10.502  21.800
   70    HE3  LYS   8           HE3      LYS   8   6.280  11.989  22.608
   71    HZ1  LYS   8           HZ1      LYS   8   4.924  10.594  23.704
   72    HZ2  LYS   8           HZ2      LYS   8   4.949   9.414  22.493
   73    HZ3  LYS   8           HZ3      LYS   8   3.934  10.760  22.342
   74    H    GLN   9           H        GLN   9  10.304  12.557  16.668
   75    HA   GLN   9           HA       GLN   9  12.268  11.573  16.081
   76    HB2  GLN   9           HB2      GLN   9  12.618  10.852  18.987
   77    HB3  GLN   9           HB3      GLN   9  13.871  11.087  17.777
   78    HG2  GLN   9           HG2      GLN   9  13.017  13.496  17.638
   79    HG3  GLN   9           HG3      GLN   9  12.184  13.141  19.151
   80   HE21  GLN   9          HE21      GLN   9  13.250  13.680  20.903
   81   HE22  GLN   9          HE22      GLN   9  14.966  13.774  21.069
   82    H    ARG  10           H        ARG  10   9.863  10.049  15.978
   83    HA   ARG  10           HA       ARG  10  11.029   7.367  16.062
   84    HB2  ARG  10           HB2      ARG  10   9.610   7.801  18.129
   85    HB3  ARG  10           HB3      ARG  10   8.226   7.881  17.047
   86    HG2  ARG  10           HG2      ARG  10   8.862   5.573  16.256
   87    HG3  ARG  10           HG3      ARG  10  10.007   5.526  17.598
   88    HD2  ARG  10           HD2      ARG  10   7.034   5.971  17.846
   89    HD3  ARG  10           HD3      ARG  10   7.866   4.447  18.153
   90    HE   ARG  10           HE       ARG  10   9.102   6.275  19.777
   91   HH11  ARG  10          HH11      ARG  10   5.842   5.137  19.336
   92   HH12  ARG  10          HH12      ARG  10   5.389   5.398  20.988
   93   HH21  ARG  10          HH21      ARG  10   8.518   6.622  21.955
   94   HH22  ARG  10          HH22      ARG  10   6.912   6.243  22.476
   95    H    CYS  11           H        CYS  11  10.875   6.535  14.096
   96    HA   CYS  11           HA       CYS  11   8.654   7.393  12.367
   97    HB2  CYS  11           HB2      CYS  11  11.320   6.206  11.565
   98    HB3  CYS  11           HB3      CYS  11  10.075   6.804  10.471
   99    H    VAL  12           H        VAL  12   7.314   5.920  11.448
  100    HA   VAL  12           HA       VAL  12   7.920   3.071  11.744
  101    HB   VAL  12           HB       VAL  12   5.601   2.626  12.530
  102   HG11  VAL  12          HG11      VAL  12   7.494   2.669  14.088
  103   HG12  VAL  12          HG12      VAL  12   7.226   4.393  14.357
  104   HG13  VAL  12          HG13      VAL  12   6.004   3.221  14.854
  105   HG21  VAL  12          HG21      VAL  12   5.513   5.613  12.942
  106   HG22  VAL  12          HG22      VAL  12   4.563   4.702  11.769
  107   HG23  VAL  12          HG23      VAL  12   4.300   4.460  13.496
  108    H    THR  13           H        THR  13   6.860   1.722  10.267
  109    HA   THR  13           HA       THR  13   5.995   3.079   7.848
  110    HB   THR  13           HB       THR  13   6.035   0.104   8.025
  111    HG1  THR  13           HG1      THR  13   8.288   0.085   7.876
  112   HG21  THR  13          HG21      THR  13   7.434   1.574   5.888
  113   HG22  THR  13          HG22      THR  13   5.694   1.853   5.985
  114   HG23  THR  13          HG23      THR  13   6.315   0.215   5.786
  115    H    TYR  14           H        TYR  14   3.931   3.457   7.417
  116    HA   TYR  14           HA       TYR  14   1.891   1.756   8.690
  117    HB2  TYR  14           HB2      TYR  14   1.871   4.672   7.937
  118    HB3  TYR  14           HB3      TYR  14   0.378   3.784   8.224
  119    HD1  TYR  14           HD1      TYR  14   2.170   6.118   9.720
  120    HD2  TYR  14           HD2      TYR  14   1.004   2.101  10.501
  121    HE1  TYR  14           HE1      TYR  14   2.398   6.527  12.135
  122    HE2  TYR  14           HE2      TYR  14   1.228   2.500  12.917
  123    HH   TYR  14           HH       TYR  14   2.441   5.578  14.167
  124    H    CYS  15           H        CYS  15   0.893   0.412   7.359
  125    HA   CYS  15           HA       CYS  15   0.602   1.184   4.529
  126    HB2  CYS  15           HB2      CYS  15   0.695  -1.644   5.587
  127    HB3  CYS  15           HB3      CYS  15   0.778  -1.122   3.908
  128    H    ARG  16           H        ARG  16  -1.400   1.334   3.747
  129    HA   ARG  16           HA       ARG  16  -3.635   0.754   5.490
  130    HB2  ARG  16           HB2      ARG  16  -4.988   1.866   3.778
  131    HB3  ARG  16           HB3      ARG  16  -3.600   2.847   4.226
  132    HG2  ARG  16           HG2      ARG  16  -2.437   1.899   2.194
  133    HG3  ARG  16           HG3      ARG  16  -4.007   1.250   1.717
  134    HD2  ARG  16           HD2      ARG  16  -4.890   3.324   1.298
  135    HD3  ARG  16           HD3      ARG  16  -3.817   4.129   2.443
  136    HE   ARG  16           HE       ARG  16  -2.177   3.221   0.444
  137   HH11  ARG  16          HH11      ARG  16  -4.966   5.296   0.631
  138   HH12  ARG  16          HH12      ARG  16  -4.496   6.267  -0.724
  139   HH21  ARG  16          HH21      ARG  16  -1.548   4.492  -1.341
  140   HH22  ARG  16          HH22      ARG  16  -2.553   5.809  -1.847
  141    H    GLY  17           H        GLY  17  -4.855  -1.020   5.419
  142    HA2  GLY  17           HA2      GLY  17  -5.695  -2.372   3.136
  143    HA3  GLY  17           HA3      GLY  17  -4.236  -3.178   3.692
  144    H    ARG  18           H        ARG  18  -7.258  -3.802   3.628
  145    HA   ARG  18           HA       ARG  18  -7.426  -4.705   6.428
  146    HB2  ARG  18           HB2      ARG  18  -9.109  -2.946   5.729
  147    HB3  ARG  18           HB3      ARG  18  -9.786  -4.144   4.635
  148    HG2  ARG  18           HG2      ARG  18 -11.057  -4.030   6.698
  149    HG3  ARG  18           HG3      ARG  18 -10.276  -5.604   6.528
  150    HD2  ARG  18           HD2      ARG  18  -8.591  -5.026   8.107
  151    HD3  ARG  18           HD3      ARG  18  -9.099  -3.337   8.121
  152    HE   ARG  18           HE       ARG  18 -11.304  -4.700   8.949
  153   HH11  ARG  18          HH11      ARG  18  -7.986  -4.555   9.992
  154   HH12  ARG  18          HH12      ARG  18  -8.357  -4.880  11.653
  155   HH21  ARG  18          HH21      ARG  18 -11.805  -5.130  11.133
  156   HH22  ARG  18          HH22      ARG  18 -10.529  -5.208  12.301
  157    HN1  NH2  19           H1       NH2  19  -6.283  -6.621   5.729
  158    HN2  NH2  19           H2       NH2  19  -7.081  -7.901   4.927
  Start of MODEL   19
    1    H    PCA   1           H        PCA   1   1.378  -0.499  -0.589
    2    HA   PCA   1           HA       PCA   1   2.083   1.630  -0.718
    3    HB2  PCA   1           HB2      PCA   1  -0.140   3.274  -0.380
    4    HB3  PCA   1           HB3      PCA   1   0.145   2.436  -1.915
    5    HG2  PCA   1           HG2      PCA   1  -1.590   1.509   0.437
    6    HG3  PCA   1           HG3      PCA   1  -1.987   1.487  -1.297
    7    H    CYS   2           H        CYS   2   3.157   2.323   0.848
    8    HA   CYS   2           HA       CYS   2   2.011   2.381   3.564
    9    HB2  CYS   2           HB2      CYS   2   4.902   1.891   2.816
   10    HB3  CYS   2           HB3      CYS   2   4.222   1.858   4.439
   11    H    ARG   3           H        ARG   3   2.655   4.074   4.950
   12    HA   ARG   3           HA       ARG   3   3.826   6.395   3.559
   13    HB2  ARG   3           HB2      ARG   3   1.776   6.478   5.778
   14    HB3  ARG   3           HB3      ARG   3   2.395   7.845   4.861
   15    HG2  ARG   3           HG2      ARG   3   0.753   5.585   3.737
   16    HG3  ARG   3           HG3      ARG   3   0.157   7.197   4.137
   17    HD2  ARG   3           HD2      ARG   3   2.303   6.580   2.110
   18    HD3  ARG   3           HD3      ARG   3   0.617   6.932   1.733
   19    HE   ARG   3           HE       ARG   3   1.452   9.075   3.201
   20   HH11  ARG   3          HH11      ARG   3   2.543   7.506   0.291
   21   HH12  ARG   3          HH12      ARG   3   3.185   8.956  -0.406
   22   HH21  ARG   3          HH21      ARG   3   2.294  10.992   2.293
   23   HH22  ARG   3          HH22      ARG   3   3.043  10.938   0.734
   24    H    ARG   4           H        ARG   4   5.646   7.158   4.403
   25    HA   ARG   4           HA       ARG   4   6.561   6.134   6.968
   26    HB2  ARG   4           HB2      ARG   4   8.077   6.126   5.014
   27    HB3  ARG   4           HB3      ARG   4   7.986   7.881   4.953
   28    HG2  ARG   4           HG2      ARG   4   9.331   8.155   6.770
   29    HG3  ARG   4           HG3      ARG   4   8.847   6.623   7.498
   30    HD2  ARG   4           HD2      ARG   4  10.397   6.624   4.946
   31    HD3  ARG   4           HD3      ARG   4  11.235   6.907   6.472
   32    HE   ARG   4           HE       ARG   4   9.741   4.659   6.907
   33   HH11  ARG   4          HH11      ARG   4  12.161   5.612   4.592
   34   HH12  ARG   4          HH12      ARG   4  12.764   4.004   4.366
   35   HH21  ARG   4          HH21      ARG   4  10.526   2.539   6.617
   36   HH22  ARG   4          HH22      ARG   4  11.834   2.256   5.517
   37    H    LEU   5           H        LEU   5   5.909   7.195   8.721
   38    HA   LEU   5           HA       LEU   5   6.070  10.135   8.703
   39    HB2  LEU   5           HB2      LEU   5   3.739   9.497   8.635
   40    HB3  LEU   5           HB3      LEU   5   3.967   8.413  10.006
   41    HG   LEU   5           HG       LEU   5   4.542  10.470  11.367
   42   HD11  LEU   5          HD11      LEU   5   4.822  11.799   9.129
   43   HD12  LEU   5          HD12      LEU   5   4.185  12.590  10.570
   44   HD13  LEU   5          HD13      LEU   5   3.085  12.049   9.303
   45   HD21  LEU   5          HD21      LEU   5   1.878  11.160  10.857
   46   HD22  LEU   5          HD22      LEU   5   2.485  10.048  12.085
   47   HD23  LEU   5          HD23      LEU   5   2.004   9.438  10.500
   48    H    CYS   6           H        CYS   6   7.109  11.055  10.384
   49    HA   CYS   6           HA       CYS   6   8.017   9.266  12.543
   50    HB2  CYS   6           HB2      CYS   6   9.423  11.708  11.440
   51    HB3  CYS   6           HB3      CYS   6  10.026  10.650  12.712
   52    H    TYR   7           H        TYR   7   7.330   9.739  14.519
   53    HA   TYR   7           HA       TYR   7   6.602  12.521  15.140
   54    HB2  TYR   7           HB2      TYR   7   4.685  10.709  14.720
   55    HB3  TYR   7           HB3      TYR   7   5.026  10.336  16.406
   56    HD1  TYR   7           HD1      TYR   7   4.783  13.519  14.453
   57    HD2  TYR   7           HD2      TYR   7   3.441  11.258  17.798
   58    HE1  TYR   7           HE1      TYR   7   3.367  15.404  15.151
   59    HE2  TYR   7           HE2      TYR   7   2.020  13.136  18.506
   60    HH   TYR   7           HH       TYR   7   2.122  16.244  16.845
   61    H    LYS   8           H        LYS   8   7.206  13.254  17.116
   62    HA   LYS   8           HA       LYS   8   8.459  13.373  19.015
   63    HB2  LYS   8           HB2      LYS   8   7.151  10.679  19.413
   64    HB3  LYS   8           HB3      LYS   8   8.048  11.526  20.665
   65    HG2  LYS   8           HG2      LYS   8   6.368  13.471  20.066
   66    HG3  LYS   8           HG3      LYS   8   5.380  12.118  19.509
   67    HD2  LYS   8           HD2      LYS   8   6.639  12.235  22.243
   68    HD3  LYS   8           HD3      LYS   8   5.009  12.819  21.900
   69    HE2  LYS   8           HE2      LYS   8   4.592  10.668  22.614
   70    HE3  LYS   8           HE3      LYS   8   4.679  10.450  20.867
   71    HZ1  LYS   8           HZ1      LYS   8   6.052   8.982  22.616
   72    HZ2  LYS   8           HZ2      LYS   8   7.194  10.185  22.285
   73    HZ3  LYS   8           HZ3      LYS   8   6.556   9.253  21.024
   74    H    GLN   9           H        GLN   9   9.926  12.570  16.796
   75    HA   GLN   9           HA       GLN   9  11.967  11.735  16.239
   76    HB2  GLN   9           HB2      GLN   9  12.339  11.023  19.143
   77    HB3  GLN   9           HB3      GLN   9  13.579  11.389  17.950
   78    HG2  GLN   9           HG2      GLN   9  12.621  13.714  17.838
   79    HG3  GLN   9           HG3      GLN   9  11.642  13.287  19.241
   80   HE21  GLN   9          HE21      GLN   9  13.656  15.335  19.033
   81   HE22  GLN   9          HE22      GLN   9  14.872  14.959  20.202
   82    H    ARG  10           H        ARG  10   9.682  10.036  16.102
   83    HA   ARG  10           HA       ARG  10  11.043   7.448  16.203
   84    HB2  ARG  10           HB2      ARG  10   9.633   7.677  18.255
   85    HB3  ARG  10           HB3      ARG  10   8.225   7.843  17.216
   86    HG2  ARG  10           HG2      ARG  10   8.394   5.625  16.453
   87    HG3  ARG  10           HG3      ARG  10  10.028   5.448  17.095
   88    HD2  ARG  10           HD2      ARG  10   9.290   5.235  19.274
   89    HD3  ARG  10           HD3      ARG  10   7.771   6.068  18.949
   90    HE   ARG  10           HE       ARG  10   7.617   3.789  17.464
   91   HH11  ARG  10          HH11      ARG  10   8.193   4.489  20.825
   92   HH12  ARG  10          HH12      ARG  10   7.482   3.013  21.389
   93   HH21  ARG  10          HH21      ARG  10   6.678   1.843  18.194
   94   HH22  ARG  10          HH22      ARG  10   6.621   1.508  19.891
   95    H    CYS  11           H        CYS  11  10.978   6.606  14.237
   96    HA   CYS  11           HA       CYS  11   8.822   7.397  12.415
   97    HB2  CYS  11           HB2      CYS  11  11.465   6.048  11.823
   98    HB3  CYS  11           HB3      CYS  11  10.290   6.576  10.622
   99    H    VAL  12           H        VAL  12   7.464   5.944  11.470
  100    HA   VAL  12           HA       VAL  12   7.881   3.090  11.922
  101    HB   VAL  12           HB       VAL  12   5.495   2.832  12.659
  102   HG11  VAL  12          HG11      VAL  12   6.882   4.505  14.696
  103   HG12  VAL  12          HG12      VAL  12   6.059   2.954  14.878
  104   HG13  VAL  12          HG13      VAL  12   7.658   3.023  14.137
  105   HG21  VAL  12          HG21      VAL  12   5.709   5.822  12.982
  106   HG22  VAL  12          HG22      VAL  12   4.587   4.941  11.947
  107   HG23  VAL  12          HG23      VAL  12   4.439   4.830  13.700
  108    H    THR  13           H        THR  13   6.872   1.762  10.429
  109    HA   THR  13           HA       THR  13   5.981   3.111   8.006
  110    HB   THR  13           HB       THR  13   6.183   0.134   8.210
  111    HG1  THR  13           HG1      THR  13   8.310   1.986   8.344
  112   HG21  THR  13          HG21      THR  13   5.448   1.010   6.107
  113   HG22  THR  13          HG22      THR  13   7.114   0.468   5.903
  114   HG23  THR  13          HG23      THR  13   6.761   2.186   6.077
  115    H    TYR  14           H        TYR  14   3.905   3.400   7.567
  116    HA   TYR  14           HA       TYR  14   1.933   1.640   8.865
  117    HB2  TYR  14           HB2      TYR  14   1.751   4.517   7.977
  118    HB3  TYR  14           HB3      TYR  14   0.331   3.563   8.392
  119    HD1  TYR  14           HD1      TYR  14   2.017   6.092   9.658
  120    HD2  TYR  14           HD2      TYR  14   1.199   2.056  10.726
  121    HE1  TYR  14           HE1      TYR  14   2.334   6.662  12.030
  122    HE2  TYR  14           HE2      TYR  14   1.514   2.615  13.100
  123    HH   TYR  14           HH       TYR  14   1.396   4.625  14.550
  124    H    CYS  15           H        CYS  15   1.169   0.148   7.531
  125    HA   CYS  15           HA       CYS  15   0.723   0.878   4.710
  126    HB2  CYS  15           HB2      CYS  15   1.231  -1.896   5.800
  127    HB3  CYS  15           HB3      CYS  15   1.115  -1.429   4.106
  128    H    ARG  16           H        ARG  16  -1.306   0.827   4.000
  129    HA   ARG  16           HA       ARG  16  -3.402  -0.102   5.779
  130    HB2  ARG  16           HB2      ARG  16  -3.429   1.396   3.161
  131    HB3  ARG  16           HB3      ARG  16  -4.899   0.847   3.956
  132    HG2  ARG  16           HG2      ARG  16  -2.946   2.493   5.490
  133    HG3  ARG  16           HG3      ARG  16  -4.012   3.273   4.321
  134    HD2  ARG  16           HD2      ARG  16  -5.958   2.419   5.457
  135    HD3  ARG  16           HD3      ARG  16  -4.948   1.478   6.554
  136    HE   ARG  16           HE       ARG  16  -5.579   4.266   6.750
  137   HH11  ARG  16          HH11      ARG  16  -3.230   1.822   7.543
  138   HH12  ARG  16          HH12      ARG  16  -2.590   2.691   8.899
  139   HH21  ARG  16          HH21      ARG  16  -4.745   5.420   8.533
  140   HH22  ARG  16          HH22      ARG  16  -3.454   4.737   9.462
  141    H    GLY  17           H        GLY  17  -4.326  -2.037   5.646
  142    HA2  GLY  17           HA2      GLY  17  -3.611  -3.848   3.523
  143    HA3  GLY  17           HA3      GLY  17  -4.636  -4.209   4.904
  144    H    ARG  18           H        ARG  18  -5.135  -5.048   2.242
  145    HA   ARG  18           HA       ARG  18  -7.688  -3.668   1.779
  146    HB2  ARG  18           HB2      ARG  18  -7.385  -3.858  -0.637
  147    HB3  ARG  18           HB3      ARG  18  -6.091  -2.906   0.080
  148    HG2  ARG  18           HG2      ARG  18  -5.661  -5.821  -0.320
  149    HG3  ARG  18           HG3      ARG  18  -5.592  -4.746  -1.718
  150    HD2  ARG  18           HD2      ARG  18  -4.040  -3.338  -0.112
  151    HD3  ARG  18           HD3      ARG  18  -3.802  -4.909   0.653
  152    HE   ARG  18           HE       ARG  18  -2.745  -4.040  -1.856
  153   HH11  ARG  18          HH11      ARG  18  -3.819  -6.823  -0.059
  154   HH12  ARG  18          HH12      ARG  18  -2.840  -7.940  -0.953
  155   HH21  ARG  18          HH21      ARG  18  -1.454  -5.500  -3.040
  156   HH22  ARG  18          HH22      ARG  18  -1.494  -7.186  -2.647
  157    HN1  NH2  19           H1       NH2  19  -9.358  -4.965   0.903
  158    HN2  NH2  19           H2       NH2  19  -9.349  -6.671   0.968
  Start of MODEL   20
    1    H    PCA   1           H        PCA   1   1.954  -0.561  -0.752
    2    HA   PCA   1           HA       PCA   1   1.673   1.668  -0.708
    3    HB2  PCA   1           HB2      PCA   1  -0.961   2.168   0.046
    4    HB3  PCA   1           HB3      PCA   1  -0.573   1.627  -1.597
    5    HG2  PCA   1           HG2      PCA   1  -1.401  -0.094   0.801
    6    HG3  PCA   1           HG3      PCA   1  -1.997  -0.183  -0.873
    7    H    CYS   2           H        CYS   2   2.825   2.325   0.825
    8    HA   CYS   2           HA       CYS   2   1.879   2.146   3.606
    9    HB2  CYS   2           HB2      CYS   2   4.744   1.789   2.699
   10    HB3  CYS   2           HB3      CYS   2   4.167   1.743   4.363
   11    H    ARG   3           H        ARG   3   3.041   3.727   5.049
   12    HA   ARG   3           HA       ARG   3   3.777   6.177   3.594
   13    HB2  ARG   3           HB2      ARG   3   1.907   5.968   5.960
   14    HB3  ARG   3           HB3      ARG   3   2.539   7.480   5.324
   15    HG2  ARG   3           HG2      ARG   3   1.482   6.848   3.119
   16    HG3  ARG   3           HG3      ARG   3   0.662   5.552   3.991
   17    HD2  ARG   3           HD2      ARG   3  -0.437   7.133   5.424
   18    HD3  ARG   3           HD3      ARG   3   0.506   8.464   4.752
   19    HE   ARG   3           HE       ARG   3  -0.798   7.396   2.604
   20   HH11  ARG   3          HH11      ARG   3  -1.773   8.670   5.694
   21   HH12  ARG   3          HH12      ARG   3  -3.308   9.235   5.124
   22   HH21  ARG   3          HH21      ARG   3  -2.815   8.136   1.841
   23   HH22  ARG   3          HH22      ARG   3  -3.900   8.929   2.932
   24    H    ARG   4           H        ARG   4   5.190   7.597   4.700
   25    HA   ARG   4           HA       ARG   4   6.620   6.340   6.949
   26    HB2  ARG   4           HB2      ARG   4   7.807   6.570   4.677
   27    HB3  ARG   4           HB3      ARG   4   7.861   8.293   5.026
   28    HG2  ARG   4           HG2      ARG   4   9.054   7.756   7.147
   29    HG3  ARG   4           HG3      ARG   4   9.126   6.075   6.614
   30    HD2  ARG   4           HD2      ARG   4  10.267   6.905   4.527
   31    HD3  ARG   4           HD3      ARG   4  10.379   8.481   5.310
   32    HE   ARG   4           HE       ARG   4  12.093   7.678   6.594
   33   HH11  ARG   4          HH11      ARG   4  10.396   4.998   5.160
   34   HH12  ARG   4          HH12      ARG   4  11.546   3.816   5.692
   35   HH21  ARG   4          HH21      ARG   4  13.614   6.132   7.300
   36   HH22  ARG   4          HH22      ARG   4  13.376   4.462   6.910
   37    H    LEU   5           H        LEU   5   5.858   7.350   8.718
   38    HA   LEU   5           HA       LEU   5   6.045  10.288   8.772
   39    HB2  LEU   5           HB2      LEU   5   3.702   9.614   8.683
   40    HB3  LEU   5           HB3      LEU   5   3.940   8.574  10.086
   41    HG   LEU   5           HG       LEU   5   4.651  10.847  11.223
   42   HD11  LEU   5          HD11      LEU   5   2.816  12.496  10.192
   43   HD12  LEU   5          HD12      LEU   5   3.299  11.652   8.722
   44   HD13  LEU   5          HD13      LEU   5   4.506  12.501   9.689
   45   HD21  LEU   5          HD21      LEU   5   2.189  11.177  11.783
   46   HD22  LEU   5          HD22      LEU   5   2.881   9.590  12.121
   47   HD23  LEU   5          HD23      LEU   5   1.874   9.828  10.693
   48    H    CYS   6           H        CYS   6   7.191  11.120  10.409
   49    HA   CYS   6           HA       CYS   6   8.030   9.287  12.558
   50    HB2  CYS   6           HB2      CYS   6   9.506  11.704  11.491
   51    HB3  CYS   6           HB3      CYS   6  10.085  10.592  12.728
   52    H    TYR   7           H        TYR   7   7.370   9.758  14.543
   53    HA   TYR   7           HA       TYR   7   6.724  12.551  15.199
   54    HB2  TYR   7           HB2      TYR   7   4.755  10.799  14.779
   55    HB3  TYR   7           HB3      TYR   7   5.105  10.391  16.456
   56    HD1  TYR   7           HD1      TYR   7   4.928  13.610  14.554
   57    HD2  TYR   7           HD2      TYR   7   3.559  11.334  17.878
   58    HE1  TYR   7           HE1      TYR   7   3.569  15.521  15.295
   59    HE2  TYR   7           HE2      TYR   7   2.196  13.239  18.628
   60    HH   TYR   7           HH       TYR   7   1.964  15.547  18.381
   61    H    LYS   8           H        LYS   8   7.365  13.250  17.176
   62    HA   LYS   8           HA       LYS   8   8.638  13.320  19.064
   63    HB2  LYS   8           HB2      LYS   8   7.283  10.647  19.457
   64    HB3  LYS   8           HB3      LYS   8   8.189  11.489  20.709
   65    HG2  LYS   8           HG2      LYS   8   6.607  13.412  20.428
   66    HG3  LYS   8           HG3      LYS   8   5.641  12.372  19.379
   67    HD2  LYS   8           HD2      LYS   8   6.410  11.587  22.181
   68    HD3  LYS   8           HD3      LYS   8   4.939  12.494  21.816
   69    HE2  LYS   8           HE2      LYS   8   5.504   9.979  20.316
   70    HE3  LYS   8           HE3      LYS   8   4.911   9.870  21.973
   71    HZ1  LYS   8           HZ1      LYS   8   3.425  11.737  20.390
   72    HZ2  LYS   8           HZ2      LYS   8   2.874  10.447  21.336
   73    HZ3  LYS   8           HZ3      LYS   8   3.378  10.173  19.745
   74    H    GLN   9           H        GLN   9  10.065  12.503  16.826
   75    HA   GLN   9           HA       GLN   9  12.078  11.620  16.240
   76    HB2  GLN   9           HB2      GLN   9  12.441  10.892  19.144
   77    HB3  GLN   9           HB3      GLN   9  13.692  11.189  17.944
   78    HG2  GLN   9           HG2      GLN   9  11.846  13.193  19.210
   79    HG3  GLN   9           HG3      GLN   9  13.598  13.079  19.370
   80   HE21  GLN   9          HE21      GLN   9  14.887  13.522  17.480
   81   HE22  GLN   9          HE22      GLN   9  14.302  14.624  16.285
   82    H    ARG  10           H        ARG  10   9.750   9.981  16.107
   83    HA   ARG  10           HA       ARG  10  11.045   7.359  16.173
   84    HB2  ARG  10           HB2      ARG  10   9.689   7.551  18.237
   85    HB3  ARG  10           HB3      ARG  10   8.266   7.861  17.252
   86    HG2  ARG  10           HG2      ARG  10   8.011   5.631  17.651
   87    HG3  ARG  10           HG3      ARG  10   8.930   5.574  16.145
   88    HD2  ARG  10           HD2      ARG  10  11.004   5.325  17.457
   89    HD3  ARG  10           HD3      ARG  10  10.044   5.308  18.936
   90    HE   ARG  10           HE       ARG  10  10.462   3.134  17.145
   91   HH11  ARG  10          HH11      ARG  10   8.138   4.555  19.313
   92   HH12  ARG  10          HH12      ARG  10   7.334   3.057  19.641
   93   HH21  ARG  10          HH21      ARG  10   9.411   1.155  17.569
   94   HH22  ARG  10          HH22      ARG  10   8.059   1.122  18.649
   95    H    CYS  11           H        CYS  11  10.941   6.537  14.200
   96    HA   CYS  11           HA       CYS  11   8.781   7.392  12.410
   97    HB2  CYS  11           HB2      CYS  11  11.384   5.998  11.751
   98    HB3  CYS  11           HB3      CYS  11  10.213   6.608  10.587
   99    H    VAL  12           H        VAL  12   7.363   5.983  11.512
  100    HA   VAL  12           HA       VAL  12   7.762   3.112  11.868
  101    HB   VAL  12           HB       VAL  12   5.421   2.847  12.707
  102   HG11  VAL  12          HG11      VAL  12   6.055   2.975  14.915
  103   HG12  VAL  12          HG12      VAL  12   7.624   3.009  14.108
  104   HG13  VAL  12          HG13      VAL  12   6.900   4.506  14.696
  105   HG21  VAL  12          HG21      VAL  12   4.459   4.944  12.062
  106   HG22  VAL  12          HG22      VAL  12   4.409   4.837  13.821
  107   HG23  VAL  12          HG23      VAL  12   5.630   5.836  13.034
  108    H    THR  13           H        THR  13   6.992   1.935  10.209
  109    HA   THR  13           HA       THR  13   5.831   3.361   7.966
  110    HB   THR  13           HB       THR  13   6.339   0.402   7.989
  111    HG1  THR  13           HG1      THR  13   8.284   2.461   7.652
  112   HG21  THR  13          HG21      THR  13   7.231   1.502   5.623
  113   HG22  THR  13          HG22      THR  13   5.823   2.488   6.018
  114   HG23  THR  13          HG23      THR  13   5.663   0.737   5.879
  115    H    TYR  14           H        TYR  14   3.726   3.475   7.580
  116    HA   TYR  14           HA       TYR  14   1.947   1.535   8.895
  117    HB2  TYR  14           HB2      TYR  14   1.472   4.368   7.963
  118    HB3  TYR  14           HB3      TYR  14   0.173   3.295   8.473
  119    HD1  TYR  14           HD1      TYR  14   1.675   6.008   9.588
  120    HD2  TYR  14           HD2      TYR  14   1.281   1.948  10.798
  121    HE1  TYR  14           HE1      TYR  14   2.049   6.675  11.926
  122    HE2  TYR  14           HE2      TYR  14   1.653   2.604  13.139
  123    HH   TYR  14           HH       TYR  14   1.296   4.857  14.499
  124    H    CYS  15           H        CYS  15   1.292  -0.032   7.589
  125    HA   CYS  15           HA       CYS  15   0.786   0.607   4.759
  126    HB2  CYS  15           HB2      CYS  15   1.436  -2.083   5.982
  127    HB3  CYS  15           HB3      CYS  15   1.205  -1.752   4.269
  128    H    ARG  16           H        ARG  16  -1.233   0.453   4.032
  129    HA   ARG  16           HA       ARG  16  -3.351  -0.296   5.817
  130    HB2  ARG  16           HB2      ARG  16  -3.300   0.615   2.942
  131    HB3  ARG  16           HB3      ARG  16  -4.789   0.180   3.771
  132    HG2  ARG  16           HG2      ARG  16  -3.995   1.910   5.542
  133    HG3  ARG  16           HG3      ARG  16  -2.980   2.506   4.227
  134    HD2  ARG  16           HD2      ARG  16  -4.845   3.010   2.879
  135    HD3  ARG  16           HD3      ARG  16  -5.932   2.060   3.892
  136    HE   ARG  16           HE       ARG  16  -4.948   4.029   5.532
  137   HH11  ARG  16          HH11      ARG  16  -6.702   3.916   2.527
  138   HH12  ARG  16          HH12      ARG  16  -7.529   5.413   2.803
  139   HH21  ARG  16          HH21      ARG  16  -6.030   6.002   5.906
  140   HH22  ARG  16          HH22      ARG  16  -7.145   6.599   4.724
  141    H    GLY  17           H        GLY  17  -4.179  -2.258   6.078
  142    HA2  GLY  17           HA2      GLY  17  -4.275  -4.105   3.815
  143    HA3  GLY  17           HA3      GLY  17  -3.365  -4.625   5.227
  144    H    ARG  18           H        ARG  18  -5.014  -6.395   5.063
  145    HA   ARG  18           HA       ARG  18  -7.689  -5.720   5.944
  146    HB2  ARG  18           HB2      ARG  18  -6.917  -7.645   4.329
  147    HB3  ARG  18           HB3      ARG  18  -6.657  -8.526   5.830
  148    HG2  ARG  18           HG2      ARG  18  -9.270  -7.172   5.325
  149    HG3  ARG  18           HG3      ARG  18  -8.918  -8.738   4.590
  150    HD2  ARG  18           HD2      ARG  18  -8.705  -8.164   7.541
  151    HD3  ARG  18           HD3      ARG  18 -10.129  -8.863   6.772
  152    HE   ARG  18           HE       ARG  18  -7.734 -10.222   7.469
  153   HH11  ARG  18          HH11      ARG  18 -10.265 -10.110   5.081
  154   HH12  ARG  18          HH12      ARG  18 -10.105 -11.780   4.643
  155   HH21  ARG  18          HH21      ARG  18  -7.513 -12.421   6.901
  156   HH22  ARG  18          HH22      ARG  18  -8.539 -13.092   5.681
  157    HN1  NH2  19           H1       NH2  19  -5.010  -7.706   7.210
  158    HN2  NH2  19           H2       NH2  19  -5.410  -7.596   8.867