*HEADER    ELECTRON TRANSPORT                      17-MAR-04   1SPW              
*TITLE     SOLUTION STRUCTURE OF A LOOP TRUNCATED MUTANT FROM D. GIGAS           
*TITLE    2 RUBREDOXIN, NMR                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RUBREDOXIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RD;                                                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS;                            
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21DE;                                    
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PT7-7                                     
*KEYWDS    TRUNCATED LOOP                                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    T.M.PAIS, P.LAMOSA, W.DOS SANTOS, J.LEGALL, D.L.TURNER,               
*AUTHOR   2 H.SANTOS                                                             
*REVDAT   1   29-MAR-05 1SPW    0                                                

 20 LEU 
         QD2    20 LEU  HN     2436.67
 20 LEU 
         QD1    20 LEU  HN     5615.00
 20 LEU 
         HB3    20 LEU  HN    42000.00
 20 LEU 
         HB2    20 LEU  HN    97677.78
  3 ILE 
         QG2     3 ILE  HN     4142.22
  3 ILE 
         HG13    3 ILE  HN    20666.67
  3 ILE 
         HG12    3 ILE  HN     1799.44
 16 ALA 
         QB     16 ALA  HN    23111.11
 28 VAL 
         QG2    28 VAL  HN    78544.45
  5 VAL 
         QG2     5 VAL  HN    33238.89
  5 VAL 
         QG1     5 VAL  HN    11322.22
  8 VAL 
         QG2     8 VAL  HN    50983.34
 38 LYS 
         HB3    38 LYS  HN    68555.56
 33 LYS 
         HB3    33 LYS  HN     6811.11
 38 LYS 
         HB2    38 LYS  HN    59000.00
 39 GLN 
         HB3    39 GLN  HN    31794.45
 37 GLU 
         HB3    37 GLU  HN    64650.00
 37 GLU 
         HB2    37 GLU  HN    31466.67
 37 GLU 
         HG2    37 GLU  HN     9244.45
  5 VAL 
         HB      5 VAL  HN    83605.56
 39 GLN 
         HB2    39 GLN  HN     6433.89
 39 GLN 
         HG2    39 GLN  HN    14072.22
 33 LYS 
         HB2    33 LYS  HN   154166.67
 11 TYRF
         HB2    11 TYRF HN    96200.01
 29 CYSS
         HB3    29 CYSS HN    84683.34
 22 ASP 
         HB3    22 ASP  HN    23094.45
 22 ASP 
         HB2    22 ASP  HN     4851.67
 29 CYSS
         HB2    29 CYSS HN    11918.89
  9 CYSS
         HB2     9 CYSS HN     6528.89
  4 TYRF
         HB3     4 TYRF HN    28866.67
 38 LYS 
         HA     38 LYS  HN    19579.45
 31 ALA 
         HA     31 ALA  HN    45022.22
 11 TYRF
         HA     11 TYRF HN    32648.89
 33 LYS 
         HA     33 LYS  HN    41700.00
 39 GLN 
         HA     39 GLN  HN     8638.89
 28 VAL 
         HA     28 VAL  HN    31344.45
 22 ASP 
         HA     22 ASP  HN    14158.89
  7 THR 
         HB      7 THR  HN     7631.78
  3 ILE 
         HB      3 ILE  HN    44833.34
 18 GLU 
         HB3    18 GLU  HN    41627.78
 18 GLU 
         HB2    18 GLU  HN    27133.33
 18 GLU 
         HG2    18 GLU  HN    17283.33
 14 ASP 
         HB2    14 ASP  HN    51172.23
 34 ASP 
         HB3    34 ASP  HN    47522.22
 34 ASP 
         HB2    34 ASP  HN    21133.33
 36 PHEF
         HB3    36 PHEF HN    18144.45
 17 PHEF
         HB3    17 PHEF HN    60366.67
 17 PHEF
         HB2    17 PHEF HN    13961.11
 14 ASP 
         HB3    14 ASP  HN    93538.89
 23 ASP 
         HB2    23 ASP  HN    14344.45
 23 ASP 
         HB3    23 ASP  HN    47888.89
 20 LEU 
         HA     20 LEU  HN    20811.67
 16 ALA 
         HA     16 ALA  HN    30883.33
 32 SER 
         HB3    32 SER  HN    44000.00
 18 GLU 
         HA     18 GLU  HN    42982.22
 36 PHEF
         HB2    36 PHEF HN   141944.45
 32 SER 
         HB2    32 SER  HN    17112.67
 17 PHEF
         HA     17 PHEF HN    21033.33
 14 ASP 
         HA     14 ASP  HN    23235.56
 36 PHEF
         HA     36 PHEF HN    29800.00
 12 GLU 
         HB2    12 GLU  HN    91722.23
 12 GLU 
         HB3    12 GLU  HN    23005.56
 12 GLU 
         HG3    12 GLU  HN     3031.11
 12 GLU 
         HG2    12 GLU  HN    36627.78
 24 TRP 
         HB2    24 TRP  HN    75583.34
 24 TRP 
         HA     24 TRP  HN    44260.00
 24 TRP 
         HB2    24 TRP  HE3   21265.00
 24 TRP 
         HB3    24 TRP  HE3   44235.00
  7 THR 
         QG2     7 THR  HG1   19083.33
 25 ALA 
         QB     25 ALA  HN    73344.45
  5 VAL 
         QG1     5 VAL  HA    28771.50
  5 VAL 
         QG2     5 VAL  HA    27765.00
  5 VAL 
         HB      5 VAL  HA    27407.50
 36 PHEF
         HB3    36 PHEF HA    47684.50
  9 CYSS
         HB2     9 CYSS HA    72615.00
  9 CYSS
         HB3     9 CYSS HA    66571.00
 12 GLU 
         HB3    12 GLU  HA    22930.50
 12 GLU 
         HB2    12 GLU  HA    34897.50
 12 GLU 
         HG3    12 GLU  HA    19744.10
  7 THR 
         QG2     7 THR  HB    97195.00
 20 LEU 
         HB3    20 LEU  QD2   43960.00
  6 CYSS
         HB2     6 CYSS HN   121277.78
  6 CYSS
         HA      6 CYSS HN    42177.78
 26 CYSS
         HB2    26 CYSS HN   121555.56
 26 CYSS
         HA     26 CYSS HN    30204.45
 33 LYS 
         HG2    33 LYS  HN     1615.56
 29 CYSS
         HA     29 CYSS HB2   69950.00
 33 LYS 
         HB2    33 LYS  HA    70665.00
 36 PHEF
         HB3    36 PHEF HB2  665650.00
  7 THR 
         QG2     7 THR  HA    56785.00
 38 LYS 
         HB3    38 LYS  HA    30268.50
 28 VAL 
         QG1    28 VAL  HA    59875.00
 28 VAL 
         QG2    28 VAL  HA    74860.00
  8 VAL 
         QG1     8 VAL  HA    48150.00
 28 VAL 
         QG2    28 VAL  HB    76750.00
  8 VAL 
         QG1     8 VAL  HB    93600.00
 33 LYS 
         HB3    24 TRP  HB3    3691.50
 16 ALA 
         HA     16 ALA  QB    41695.00
 38 LYS 
         HA     38 LYS  HG2    4430.00
 31 ALA 
         HA     31 ALA  QB    65400.00
 10 GLY 
         HN      6 CYSS HB3  125494.45
 29 CYSS
         HA     29 CYSS HB3   64750.00
  4 TYRF
         HA      4 TYRF HB2   29975.00
  4 TYRF
         HA      4 TYRF HB3   39580.00
 37 GLU 
         HA     37 GLU  HG2    3710.00
  8 VAL 
         HA      8 VAL  HB    22570.00
 28 VAL 
         HA     28 VAL  HB    19065.00
 18 GLU 
         HA     18 GLU  HG2   15205.00
  7 THR 
         HN      7 THR  QG2   40533.34
  8 VAL 
         QG2     8 VAL  HB    74500.00
 38 LYS 
         HA     38 LYS  HB2   12290.00
 28 VAL 
         QG1    28 VAL  HB    87900.00
 11 TYRF
         HB2    11 TYRF HD1   54250.00
 11 TYRF
         HB3    11 TYRF HD1   81900.00
 10 GLY 
         HN     11 TYRF HN    63598.77
  7 THR 
         HN      8 VAL  HN    75018.52
 31 ALA 
         HA     32 SER  HN    92255.56
 31 ALA 
         QB     32 SER  HN    61122.23
 32 SER 
         HA     33 LYS  HN    69222.23
 32 SER 
         HB2    33 LYS  HN    46106.67
 35 ALA 
         HA     36 PHEF HN    11495.11
 35 ALA 
         QB     36 PHEF HN    21050.00
 36 PHEF
         HA     37 GLU  HN   140650.00
 36 PHEF
         HB3    37 GLU  HN    29000.00
 37 GLU 
         HA     38 LYS  HN    99388.89
 37 GLU 
         HG2    38 LYS  HN     3229.44
 37 GLU 
         HB2    38 LYS  HN    10726.67
 37 GLU 
         HB3    38 LYS  HN     1735.00
  5 VAL 
         HB      6 CYSS HN     4747.22
  5 VAL 
         QG2     6 CYSS HN    11115.56
  5 VAL 
         QG1     6 CYSS HN    37744.45
  6 CYSS
         HB2     7 THR  HN     4440.00
  6 CYSS
         HB3     7 THR  HN     7095.56
  7 THR 
         HA      8 VAL  HN    16740.00
  7 THR 
         QG2     8 VAL  HN     5035.56
  9 CYSS
         HA     10 GLY  HN     6388.44
 25 ALA 
         HA     26 CYSS HN    93876.67
 25 ALA 
         QB     26 CYSS HN    46355.56
 38 LYS 
         HA     39 GLN  HN   118022.23
 29 CYSS
         HA     30 GLY  HN    12578.44
  3 ILE 
         QG2     4 TYRF HN    44938.89
 17 PHEF
         HA     18 GLU  HN    14772.22
 20 LEU 
         QD1    20 LEU  HA    53800.00
 20 LEU 
         HB3    20 LEU  HA    64530.00
 20 LEU 
         HB2    20 LEU  HA    30370.00
 20 LEU 
         HB2    20 LEU  QD2   43300.00
 20 LEU 
         HB2    20 LEU  QD1    9125.00
 20 LEU 
         HB3    20 LEU  QD1   69115.00
 33 LYS 
         HB2    34 ASP  HN    12885.56
 16 ALA 
         HA     17 PHEF HN    20980.56
 16 ALA 
         QB     17 PHEF HN    22988.89
  3 ILE 
         HA      4 TYRF HN   115158.89
  4 TYRF
         HN     13 TYRF HN    28981.48
  6 CYSS
         HB2    36 PHEF HZ    66100.00
 26 CYSS
         HB2    36 PHEF HZ    80650.00
 26 CYSS
         HA     36 PHEF HZ    69460.00
 27 FPR 
         HD2    36 PHEF HZ    14980.00
 26 CYSS
         HN     36 PHEF HZ     7396.67
 36 PHEF
         HA     36 PHEF HD1    8026.50
 36 PHEF
         HB2    36 PHEF HD1   38950.00
 26 CYSS
         HB2    36 PHEF HD1    2530.00
  6 CYSS
         HB2    36 PHEF HD1    3080.00
 36 PHEF
         HB3    36 PHEF HD1   76250.00
  4 TYRF
         HB2    36 PHEF HD1   26350.00
  4 TYRF
         HB3    36 PHEF HD1   50300.00
 35 ALA 
         QB     36 PHEF HD1    9160.00
 26 CYSS
         HB2    36 PHEF HE1   85950.00
  6 CYSS
         HB2    36 PHEF HE1   25850.00
 36 PHEF
         HB3    36 PHEF HE1    2060.00
  6 CYSS
         HB3    36 PHEF HE1    8630.00
 36 PHEF
         HE1     4 TYRF HB2     450.00
 35 ALA 
         QB     36 PHEF HE1    2835.00
 31 ALA 
         QB     26 CYSS HN     9006.67
 27 FPR 
         HD2    26 CYSS HN       47.89
 32 SER 
         HA     26 CYSS HN     2222.89
 25 ALA 
         HN     26 CYSS HN     4390.12
 30 GLY 
         HN     26 CYSS HN     5502.47
 37 GLU 
         HN      6 CYSS HN      350.00
 10 GLY 
         HN      6 CYSS HN     4241.36
  7 THR 
         HN      6 CYSS HN     2019.75
 12 GLU 
         HA      6 CYSS HN     4037.78
  7 THR 
         HN     37 GLU  HN     5180.86
 36 PHEF
         HN     37 GLU  HN     5117.28
  4 TYRF
         HA     37 GLU  HN     3281.11
  6 CYSS
         HA     37 GLU  HN     3218.89
  7 THR 
         QG2    37 GLU  HN    25972.22
  5 VAL 
         QG1    37 GLU  HN      567.22
 30 GLY 
         HN     31 ALA  HN    50209.88
 29 CYSS
         HN     31 ALA  HN     3301.85
 36 PHEF
         HA      5 VAL  HN      224.44
 26 CYSS
         HB2    31 ALA  HN   129888.90
  6 CYSS
         HA      8 VAL  HN    12444.45
 35 ALA 
         QB      8 VAL  HN    13250.00
 34 ASP 
         HA     36 PHEF HN     9969.45
 33 LYS 
         HA     36 PHEF HN     4260.89
 15 FPR 
         HD2    16 ALA  HN     1565.22
 15 FPR 
         HB2    16 ALA  HN     2524.44
 36 PHEF
         HA      7 THR  HN    26725.00
 35 ALA 
         HA      7 THR  HN     1716.11
 35 ALA 
         QB      7 THR  HN    19600.00
 33 LYS 
         HN     33 LYS  HG3    9816.67
 33 LYS 
         HA     33 LYS  HB3   18425.00
  8 VAL 
         QG1     7 THR  HN     1387.22
 24 TRP 
         HN     23 ASP  HN    63419.76
  3 ILE 
         HN     39 GLN  HN     7954.94
 39 GLN 
         HN     38 LYS  HG2    1829.44
  4 TYRF
         HA     39 GLN  HN     7098.22
 33 LYS 
         HB2    24 TRP  HN     8160.56
 13 TYRF
         HB2    11 TYRF HD1   18050.00
 27 FPR 
         HD2    11 TYRF HD1   15250.00
 31 ALA 
         QB     26 CYSS HB2   34000.00
 31 ALA 
         QB      8 VAL  HB    25315.00
 21 FPR 
         HB2    21 FPR  HD2   12450.00
 20 LEU 
         QD1    21 FPR  HD3   15990.00
 20 LEU 
         QD1    24 TRP  HE3    5620.50
 20 LEU 
         QD2    24 TRP  HE3     991.10
  4 TYRF
         HB3     4 TYRF HD1   53200.00
 33 LYS 
         HA     24 TRP  HE3    9507.00
 27 FPR 
         HD2    11 TYRF HE1   17800.00
  4 TYRF
         HD1     4 TYRF HA     8416.00
  4 TYRF
         HD1    38 LYS  HN      783.33
  7 THR 
         HG1     7 THR  HN    28265.43
 27 FPR 
         HD2    28 VAL  HN    49200.00
 15 FPR 
         HB2    15 FPR  HA    21601.00
 15 FPR 
         HG3    15 FPR  HD2   21625.00
 15 FPR 
         HG3    15 FPR  HD3   61690.00
 15 FPR 
         HB2    15 FPR  HD2    1915.70
 15 FPR 
         HG2    15 FPR  HD3   56000.00
 15 FPR 
         HD2    15 FPR  HG2   54610.00
 38 LYS 
         HA      4 TYRF HD1    7097.50
 38 LYS 
         HA      4 TYRF HE1    3017.80
 15 FPR 
         HG3     4 TYRF HE1    4275.00
 15 FPR 
         HD3     4 TYRF HN     2839.11
 12 GLU 
         HA     13 TYRF HN   148455.56
 13 TYRF
         HN      5 VAL  HA     7683.89
  3 ILE 
         QG2    13 TYRF HN    17911.11
 11 TYRF
         HD1    13 TYRF HN     1683.33
 14 ASP 
         HN     13 TYRF HN     3770.99
 24 TRP 
         HZ3    36 PHEF HE1    6760.00
  4 TYRF
         HB3     4 TYRF HE1    5165.00
  4 TYRF
         HD1    38 LYS  HB3     622.50
  4 TYRF
         HE1    38 LYS  HB3    9615.00
 37 GLU 
         HA      4 TYRF HD1    1075.00
 27 FPR 
         HG2    11 TYRF HE1    5070.00
 13 TYRF
         HB2    11 TYRF HE1   43250.00
 24 TRP 
         HZ3    36 PHEF HZ     6376.50
  6 CYSS
         HB2    11 TYRF HN    25772.22
 38 LYS 
         HA      4 TYRF HA     9745.50
 36 PHEF
         HA      6 CYSS HA    58875.00
 36 PHEF
         HA      7 THR  QG2    7923.40
 17 PHEF
         HA     20 LEU  QD2     396.50
 21 FPR 
         HD2    20 LEU  QD1    2855.00
 24 TRP 
         HB2    20 LEU  QD1     186.10
 24 TRP 
         HB3    20 LEU  QD2    6177.00
 24 TRP 
         HB3    20 LEU  QD1    1071.00
 28 VAL 
         QG2    11 TYRF HB2   20445.00
 20 LEU 
         HA     21 FPR  HD3   33645.00
 20 LEU 
         HA     21 FPR  HD2   86360.00
 28 VAL 
         QG2    11 TYRF HB3     992.50
 20 LEU 
         HB3    24 TRP  HB2    6505.00
 20 LEU 
         HB3    21 FPR  HD3   27235.00
 25 ALA 
         QB     26 CYSS HB2     405.00
 28 VAL 
         QG2    27 FPR  HD2    3397.50
 20 LEU 
         QD1    15 FPR  HG2    2086.00
 13 TYRF
         HB2    36 PHEF HD1    4940.00
 13 TYRF
         HB2    36 PHEF HE1   25500.00
 15 FPR 
         HA     16 ALA  HN    44082.78
 24 TRP 
         HB3    33 LYS  HN     9676.11
 12 GLU 
         HB3    13 TYRF HN    15350.00
  9 CYSS
         HA     11 TYRF HN     1350.33
 27 FPR 
         HB3    27 FPR  HD2   20935.00
 27 FPR 
         HG3    11 TYRF HE1    4995.00
 28 VAL 
         HN     27 FPR  HA        3.89
 24 TRP 
         HA     24 TRP  HE3    2316.50
 21 FPR 
         HD3    24 TRP  HE3     639.00
  4 TYRF
         HB2     4 TYRF HD1   41950.00
 11 TYRF
         HB3    36 PHEF HE1    8630.00
  4 TYRF
         HB2     4 TYRF HE1    5340.00
 23 ASP 
         HA     24 TRP  HN    18777.78
 23 ASP 
         HB3    24 TRP  HN     9057.78
 17 PHEF
         HB2    18 GLU  HN     9931.67
 26 CYSS
         HB2    29 CYSS HN    36333.34
 26 CYSS
         HB2    30 GLY  HN    89722.23
 28 VAL 
         QG1    11 TYRF HD1     415.00
 32 SER 
         HA     25 ALA  QB     8162.70
 32 SER 
         HB2    34 ASP  HN    10546.33
 36 PHEF
         HB2    37 GLU  HN     6488.89
  4 TYRF
         HE1    38 LYS  HG3     480.00
 21 FPR 
         HB3    22 ASP  HN     4336.67
 22 ASP 
         HA     23 ASP  HN    11592.00
 21 FPR 
         HA     22 ASP  HN    32111.11
 23 ASP 
         HN     22 ASP  HN    16135.80
 14 ASP 
         HA     15 FPR  HD2   30990.00
 14 ASP 
         HA     15 FPR  HD3   48438.00
  6 CYSS
         HB3     9 CYSS HN    44572.22
 28 VAL 
         QG1     9 CYSS HB2   12460.00
  8 VAL 
         QG1    29 CYSS HB2   13900.00
 26 CYSS
         HA     11 TYRF HD1     545.50
 17 PHEF
         HB3    20 LEU  HN     7021.11
 20 LEU 
         QD1    17 PHEF HB3    1789.50
 27 FPR 
         HG2    28 VAL  HN    27388.89
 10 GLY 
         HA1    10 GLY  HN   101777.78
 10 GLY 
         HA1     6 CYSS HN     2245.56
 10 GLY 
         HA1    11 TYRF HN    12008.89
 10 GLY 
         HA2    11 TYRF HN     7572.78
  5 VAL 
         QG1    10 GLY  HA1   46005.00
 30 GLY 
         HA1    30 GLY  HN   141888.89
 30 GLY 
         HA2    30 GLY  HN    33661.11
 30 GLY 
         HA1    26 CYSS HN     3858.89
 30 GLY 
         HA1    31 ALA  HN    11904.45
 30 GLY 
         HA2    31 ALA  HN     9672.22
 25 ALA 
         QB     30 GLY  HA1   29645.00
 33 LYS 
         HA     36 PHEF HQD1  37500.00
 36 PHEF
         HB3     4 TYRF HQD1  24750.00
 28 VAL 
         QG2    11 TYRF HQD2  41950.00
 36 PHEF
         HQE2   13 TYRF HN     1016.11
 36 PHEF
         HQE1   26 CYSS HN    16333.33
 36 PHEF
         HQE2    6 CYSS HN    11277.78
 36 PHEF
         HQD2    6 CYSS HN     3566.67
 36 PHEF
         HQE1   31 ALA  HN       26.67
 36 PHEF
         HQD2    5 VAL  HN     3305.56
 36 PHEF
         HQD2   37 GLU  HN     1416.67
 36 PHEF
         HQD1   35 ALA  HN     7488.89
 36 PHEF
         HQD1   36 PHEF HN    49388.89
 36 PHEF
         HQE1   36 PHEF HN      972.22
  5 VAL 
         HA     36 PHEF HQE2    749.40
  5 VAL 
         HA     36 PHEF HQD2   5032.00
 33 LYS 
         HA     36 PHEF HQE1   3152.00
 26 CYSS
         HA     36 PHEF HQE1   5117.50
 31 ALA 
         QB     36 PHEF HQD1   2265.00
 31 ALA 
         QB     36 PHEF HQE1  11450.00
  4 TYRF
         HD1    15 FPR  HD3   15150.00
  9 CYSS
         HB2    11 TYRF HN    19622.22
  4 TYRF
         HQE2    4 TYRF HN      327.78
  4 TYRF
         HQD2    4 TYRF HN    23555.56
  3 ILE 
         HA      4 TYRF HQD2   1526.50
 36 PHEF
         HB2     4 TYRF HQD1   2430.00
 36 PHEF
         HB3     4 TYRF HQE1    645.00
  2 ASP 
         HB3     4 TYRF HQE2   3935.00
 25 ALA 
         HA     24 TRP  HD1    2113.70
 17 PHEF
         HA     17 PHEF HD1    1548.00
 24 TRP 
         HA     24 TRP  HD1   33058.50
 21 FPR 
         HD3    24 TRP  HD1   14655.00
 24 TRP 
         HB2    24 TRP  HD1   25530.00
 17 PHEF
         HB2    17 PHEF HD1    9750.00
 17 PHEF
         HB3    17 PHEF HD1   14300.00
 13 TYRF
         HB3    17 PHEF HD1    1500.00
 33 LYS 
         HB3    24 TRP  HD1    1464.50
 20 LEU 
         QD2    17 PHEF HD1     566.00
  6 CYSS
         HA     36 PHEF HD1    9125.00
  6 CYSS
         HA     36 PHEF HE1    4770.00
 15 FPR 
         HA     13 TYRF HE1    7020.00
 15 FPR 
         HD2    13 TYRF HD1    2940.00
 15 FPR 
         HD3    13 TYRF HD1   15150.00
 13 TYRF
         HB2    13 TYRF HD1  105300.00
 17 PHEF
         HB3    13 TYRF HD1  105300.00
 13 TYRF
         HE1    13 TYRF HB2    4398.00
 20 LEU 
         HB3    13 TYRF HE1     129.00
 20 LEU 
         HB3    13 TYRF HD1    2962.50
 20 LEU 
         QD2    13 TYRF HD1    3755.00
 20 LEU 
         QD2    13 TYRF HE1     215.00
 20 LEU 
         QD1    13 TYRF HE1    6910.00
 20 LEU 
         QD1    13 TYRF HD1   13000.00
 13 TYRF
         HD1    14 ASP  HN    11388.89
 13 TYRF
         HD1    13 TYRF HN     2161.11
 13 TYRF
         HB2    17 PHEF HE1    1995.00
 26 CYSS
         HA     24 TRP  HH2    5012.50
 26 CYSS
         HA     24 TRP  HZ3    6018.50
 27 FPR 
         HD2    24 TRP  HH2   43825.00
 27 FPR 
         HD2    24 TRP  HZ3   20875.00
 11 TYRF
         HQD1   36 PHEF HZ    21950.00
 11 TYRF
         HQD1    6 CYSS HN      927.78
  6 CYSS
         HB2    11 TYRF HQD1   8195.00
 28 VAL 
         QG2    11 TYRF HQE2   7370.00
 24 TRP 
         HB3    25 ALA  HN     3346.11
 15 FPR 
         HB3    13 TYRF HQE1  16050.00
 33 LYS 
         HG3    34 ASP  HN     4608.89
 38 LYS 
         HG2     4 TYRF HQE1    643.00
 13 TYRF
         HB2    24 TRP  HH2   16660.00
 33 LYS 
         HB2    24 TRP  HE3    3260.00
 33 LYS 
         HG3    24 TRP  HE3      14.80
 24 TRP 
         HH2    36 PHEF HE1    5945.00
 24 TRP 
         HH2    11 TYRF HQD1   4910.00
 24 TRP 
         HE3    36 PHEF HD1    2095.00
 24 TRP 
         HE3    36 PHEF HE1    4140.00
 11 TYRF
         HQE1   36 PHEF HQE2   8624.50
 15 FPR 
         HG2    16 ALA  HN     3025.00
 15 FPR 
         HB3     4 TYRF HD1   10985.00
 15 FPR 
         HB3     4 TYRF HE1    6520.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HN       MET   1   1.884   0.000   0.829
    2    HA   MET   1           HA       MET   1   2.057  -1.032  -1.597
    3   1HB   MET   1          1HB       MET   1   0.343   1.047  -1.997
    4   2HB   MET   1          2HB       MET   1   1.845   1.933  -2.176
    5   1HG   MET   1          1HG       MET   1   2.584   0.449  -3.984
    6   2HG   MET   1          2HG       MET   1   1.231  -0.632  -3.718
    7   1HE   MET   1          1HE       MET   1  -0.481   0.132  -6.534
    8   2HE   MET   1          2HE       MET   1   1.087   0.810  -7.033
    9   3HE   MET   1          3HE       MET   1   1.032  -0.619  -5.973
   10    H    ASP   2           HN       ASP   2   2.884   2.228  -0.199
   11    HA   ASP   2           HA       ASP   2   5.336   1.643   0.679
   12   1HB   ASP   2          1HB       ASP   2   6.775   2.655  -1.241
   13   2HB   ASP   2          2HB       ASP   2   6.259   0.988  -1.394
   14    HD2  ASP   2           HD2      ASP   2   4.908   4.123  -3.203
   15    H    ILE   3           HN       ILE   3   3.500   3.343   1.618
   16    HA   ILE   3           HA       ILE   3   4.714   5.942   1.258
   17    HB   ILE   3           HB       ILE   3   1.838   5.360   0.579
   18   1HG1  ILE   3          2HG1      ILE   3   3.481   5.169  -1.245
   19   2HG1  ILE   3          3HG1      ILE   3   2.347   6.480  -1.502
   20   1HG2  ILE   3          1HG2      ILE   3   1.540   7.195   1.960
   21   2HG2  ILE   3          2HG2      ILE   3   3.106   7.918   1.520
   22   3HG2  ILE   3          3HG2      ILE   3   1.755   7.946   0.361
   23   1HD1  ILE   3          1HD1      ILE   3   5.229   6.697  -0.538
   24   2HD1  ILE   3          2HD1      ILE   3   4.532   7.343  -2.043
   25   3HD1  ILE   3          3HD1      ILE   3   4.084   8.058  -0.476
   26    H    TYR   4           HN       TYR   4   4.538   7.219   3.053
   27    HA   TYR   4           HA       TYR   4   3.116   6.010   5.377
   28   1HB   TYR   4          1HB       TYR   4   5.917   7.102   5.120
   29   2HB   TYR   4          2HB       TYR   4   5.077   7.120   6.680
   30    HD1  TYR   4           HD1      TYR   4   4.079   4.849   7.489
   31    HD2  TYR   4           HD2      TYR   4   7.107   5.208   4.463
   32    HE1  TYR   4           HE1      TYR   4   4.745   2.491   7.875
   33    HE2  TYR   4           HE2      TYR   4   7.772   2.850   4.849
   34    HH   TYR   4           HH       TYR   4   7.487   1.138   7.091
   35    H    VAL   5           HN       VAL   5   1.318   7.530   4.717
   36    HA   VAL   5           HA       VAL   5   1.990  10.336   5.047
   37    HB   VAL   5           HB       VAL   5  -0.500   8.846   4.214
   38   1HG1  VAL   5          1HG1      VAL   5  -0.410  11.375   5.448
   39   2HG1  VAL   5          2HG1      VAL   5  -0.606  11.695   3.708
   40   3HG1  VAL   5          3HG1      VAL   5  -1.770  10.649   4.557
   41   1HG2  VAL   5          1HG2      VAL   5   1.104  10.827   2.591
   42   2HG2  VAL   5          2HG2      VAL   5   1.527   9.099   2.649
   43   3HG2  VAL   5          3HG2      VAL   5  -0.064   9.606   2.031
   44    H    CYS   6           HN       CYS   6   1.935  11.284   7.012
   45    HA   CYS   6           HA       CYS   6   1.269  10.000   9.315
   46   1HB   CYS   6          1HB       CYS   6   2.527  12.185   8.983
   47   2HB   CYS   6          2HB       CYS   6   0.965  12.977   8.922
   48    H    THR   7           HN       THR   7  -0.633  10.000  10.682
   49    HA   THR   7           HA       THR   7  -3.101  10.592   9.191
   50    HB   THR   7           HB       THR   7  -4.081   8.813  10.625
   51    HG1  THR   7           HG1      THR   7  -2.613   9.345  12.454
   52   1HG2  THR   7          1HG2      THR   7  -2.818   6.878   9.856
   53   2HG2  THR   7          2HG2      THR   7  -2.714   8.099   8.565
   54   3HG2  THR   7          3HG2      THR   7  -1.339   7.851   9.668
   55    H    VAL   8           HN       VAL   8  -1.297  12.453  10.844
   56    HA   VAL   8           HA       VAL   8  -3.383  13.234  12.762
   57    HB   VAL   8           HB       VAL   8  -0.382  13.386  12.845
   58   1HG1  VAL   8          1HG1      VAL   8  -2.235  15.406  13.796
   59   2HG1  VAL   8          2HG1      VAL   8  -1.340  14.672  15.149
   60   3HG1  VAL   8          3HG1      VAL   8  -0.455  15.408  13.791
   61   1HG2  VAL   8          1HG2      VAL   8  -0.750  12.426  15.115
   62   2HG2  VAL   8          2HG2      VAL   8  -2.497  12.372  14.773
   63   3HG2  VAL   8          3HG2      VAL   8  -1.369  11.393  13.804
   64    H    CYS   9           HN       CYS   9  -0.780  14.458  10.548
   65    HA   CYS   9           HA       CYS   9  -2.379  16.893  10.274
   66   1HB   CYS   9          1HB       CYS   9  -0.117  17.675   9.180
   67   2HB   CYS   9          2HB       CYS   9  -0.374  17.723  10.913
   68    H    GLY  10           HN       GLY  10  -1.200  13.962   8.769
   69   1HA   GLY  10          HA1       GLY  10  -1.997  13.081   6.795
   70   2HA   GLY  10          HA2       GLY  10  -2.579  14.657   6.300
   71    H    TYR  11           HN       TYR  11   0.631  14.386   7.628
   72    HA   TYR  11           HA       TYR  11   1.937  15.610   5.476
   73   1HB   TYR  11          1HB       TYR  11   2.722  15.199   7.880
   74   2HB   TYR  11          2HB       TYR  11   3.203  13.584   7.335
   75    HD1  TYR  11           HD1      TYR  11   5.535  13.567   7.339
   76    HD2  TYR  11           HD2      TYR  11   3.455  16.898   5.598
   77    HE1  TYR  11           HE1      TYR  11   7.689  14.484   6.521
   78    HE2  TYR  11           HE2      TYR  11   5.609  17.815   4.780
   79    HH   TYR  11           HH       TYR  11   7.959  16.924   4.211
   80    H    GLU  12           HN       GLU  12   3.641  14.619   3.982
   81    HA   GLU  12           HA       GLU  12   2.783  11.936   3.226
   82   1HB   GLU  12          1HB       GLU  12   2.530  14.337   1.706
   83   2HB   GLU  12          2HB       GLU  12   3.821  13.421   0.954
   84   1HG   GLU  12          1HG       GLU  12   2.249  11.373   1.049
   85   2HG   GLU  12          2HG       GLU  12   0.971  12.485   1.496
   86    HE2  GLU  12           HE2      GLU  12  -0.104  12.403  -0.892
   87    H    TYR  13           HN       TYR  13   4.368  10.482   3.088
   88    HA   TYR  13           HA       TYR  13   7.150  11.394   2.644
   89   1HB   TYR  13          1HB       TYR  13   6.841  11.300   5.074
   90   2HB   TYR  13          2HB       TYR  13   6.213   9.648   4.945
   91    HD1  TYR  13           HD1      TYR  13   7.734   7.796   4.201
   92    HD2  TYR  13           HD2      TYR  13   9.181  11.739   5.103
   93    HE1  TYR  13           HE1      TYR  13  10.038   6.903   4.409
   94    HE2  TYR  13           HE2      TYR  13  11.485  10.845   5.311
   95    HH   TYR  13           HH       TYR  13  12.850   8.953   4.714
   96    H    ASP  14           HN       ASP  14   8.543   9.725   1.729
   97    HA   ASP  14           HA       ASP  14   6.967   7.449   0.811
   98   1HB   ASP  14          1HB       ASP  14   8.113   9.369  -0.768
   99   2HB   ASP  14          2HB       ASP  14   9.460   8.254  -0.648
  100    HD2  ASP  14           HD2      ASP  14   6.204   8.515  -1.581
  101    HA   PRO  15           HA       PRO  15  10.117   5.068   2.887
  102   1HB   PRO  15          1HB       PRO  15   9.407   2.591   1.990
  103   2HB   PRO  15          2HB       PRO  15   8.349   3.546   3.079
  104   1HG   PRO  15          1HG       PRO  15   8.210   3.195   0.204
  105   2HG   PRO  15          2HG       PRO  15   6.827   3.186   1.347
  106   1HD   PRO  15          HD2       PRO  15   7.534   5.369  -0.234
  107   2HD   PRO  15          HD3       PRO  15   6.734   5.534   1.358
  108    H    ALA  16           HN       ALA  16  11.682   6.345   1.283
  109    HA   ALA  16           HA       ALA  16  12.959   4.280  -0.341
  110   1HB   ALA  16          1HB       ALA  16  13.296   5.918  -2.165
  111   2HB   ALA  16          2HB       ALA  16  11.566   5.614  -1.875
  112   3HB   ALA  16          3HB       ALA  16  12.320   7.109  -1.272
  113    H    PHE  17           HN       PHE  17  13.556   5.124   2.330
  114    HA   PHE  17           HA       PHE  17  15.856   6.887   1.937
  115   1HB   PHE  17          1HB       PHE  17  15.721   6.786   4.545
  116   2HB   PHE  17          2HB       PHE  17  14.386   7.586   3.739
  117    HD1  PHE  17           HD1      PHE  17  15.417   4.602   5.590
  118    HD2  PHE  17           HD2      PHE  17  12.180   6.577   3.683
  119    HE1  PHE  17           HE1      PHE  17  13.802   3.049   6.722
  120    HE2  PHE  17           HE2      PHE  17  10.566   5.024   4.815
  121    HZ   PHE  17           HZ       PHE  17  11.396   3.279   6.321
  122    H    GLU  18           HN       GLU  18  17.489   6.154   4.040
  123    HA   GLU  18           HA       GLU  18  17.968   3.320   3.623
  124   1HB   GLU  18          1HB       GLU  18  19.410   4.838   2.100
  125   2HB   GLU  18          2HB       GLU  18  20.227   5.355   3.562
  126   1HG   GLU  18          1HG       GLU  18  20.192   2.558   3.806
  127   2HG   GLU  18          2HG       GLU  18  20.456   2.805   2.092
  128    HE2  GLU  18           HE2      GLU  18  22.083   4.495   1.675
  129    H    ASP  19           HN       ASP  19  18.744   6.339   5.450
  130    HA   ASP  19           HA       ASP  19  19.409   4.651   7.719
  131   1HB   ASP  19          1HB       ASP  19  20.815   6.732   6.724
  132   2HB   ASP  19          2HB       ASP  19  19.732   7.649   7.751
  133    HD2  ASP  19           HD2      ASP  19  21.973   8.057   8.830
  134    H    LEU  20           HN       LEU  20  17.325   4.194   8.609
  135    HA   LEU  20           HA       LEU  20  15.717   6.559   9.285
  136   1HB   LEU  20          1HB       LEU  20  14.968   4.517   7.662
  137   2HB   LEU  20          2HB       LEU  20  14.420   3.908   9.212
  138    HG   LEU  20           HG       LEU  20  12.745   5.213   7.814
  139   1HD1  LEU  20          1HD1      LEU  20  11.711   5.135   9.777
  140   2HD1  LEU  20          2HD1      LEU  20  13.253   5.248  10.661
  141   3HD1  LEU  20          3HD1      LEU  20  12.411   6.730  10.148
  142   1HD2  LEU  20          1HD2      LEU  20  12.955   7.413   7.367
  143   2HD2  LEU  20          2HD2      LEU  20  13.785   7.762   8.902
  144   3HD2  LEU  20          3HD2      LEU  20  14.692   7.066   7.538
  145    HA   PRO  21           HA       PRO  21  17.649   5.247  13.208
  146   1HB   PRO  21          1HB       PRO  21  16.192   7.823  13.866
  147   2HB   PRO  21          2HB       PRO  21  17.844   7.272  14.297
  148   1HG   PRO  21          1HG       PRO  21  17.526   9.084  12.260
  149   2HG   PRO  21          2HG       PRO  21  18.709   7.744  12.407
  150   1HD   PRO  21          HD2       PRO  21  16.141   7.939  10.773
  151   2HD   PRO  21          HD3       PRO  21  17.713   7.211  10.322
  152    H    ASP  22           HN       ASP  22  16.482   5.178  15.517
  153    HA   ASP  22           HA       ASP  22  13.827   4.149  14.945
  154   1HB   ASP  22          1HB       ASP  22  14.225   3.227  17.409
  155   2HB   ASP  22          2HB       ASP  22  14.946   2.421  16.030
  156    HD2  ASP  22           HD2      ASP  22  15.911   4.963  18.351
  157    H    ASP  23           HN       ASP  23  13.598   6.801  14.962
  158    HA   ASP  23           HA       ASP  23  11.990   7.413  17.069
  159   1HB   ASP  23          1HB       ASP  23  13.829   7.536  18.595
  160   2HB   ASP  23          2HB       ASP  23  14.867   8.316  17.419
  161    HD2  ASP  23           HD2      ASP  23  14.897   9.842  19.611
  162    H    TRP  24           HN       TRP  24  11.177   7.967  14.764
  163    HA   TRP  24           HA       TRP  24  12.231  10.557  13.866
  164   1HB   TRP  24          1HB       TRP  24  12.174   8.441  12.356
  165   2HB   TRP  24          2HB       TRP  24  10.456   8.768  12.234
  166    HD1  TRP  24           HD1      TRP  24  13.642  11.027  11.837
  167    HE1  TRP  24           HE1      TRP  24  13.410  12.567   9.706
  168    HE3  TRP  24           HE3      TRP  24   9.047   9.335  10.466
  169    HZ2  TRP  24           HZ2      TRP  24  11.377  12.896   7.731
  170    HZ3  TRP  24           HZ3      TRP  24   8.009  10.318   8.424
  171    HH2  TRP  24           HH2      TRP  24   9.098  12.039   7.073
  172    H    ALA  25           HN       ALA  25  10.903  12.341  14.034
  173    HA   ALA  25           HA       ALA  25   8.105  11.803  14.764
  174   1HB   ALA  25          1HB       ALA  25   9.529  14.282  15.685
  175   2HB   ALA  25          2HB       ALA  25   8.214  13.368  16.462
  176   3HB   ALA  25          3HB       ALA  25   9.881  12.748  16.516
  177    H    CYS  26           HN       CYS  26   6.530  13.026  13.710
  178    HA   CYS  26           HA       CYS  26   7.037  13.908  11.193
  179   1HB   CYS  26          1HB       CYS  26   4.813  13.479  12.526
  180   2HB   CYS  26          2HB       CYS  26   4.866  15.209  12.797
  181    HA   PRO  27           HA       PRO  27   9.040  17.806  11.927
  182   1HB   PRO  27          1HB       PRO  27   9.352  18.556   9.333
  183   2HB   PRO  27          2HB       PRO  27  10.208  17.131  10.007
  184   1HG   PRO  27          1HG       PRO  27   7.641  17.243   8.391
  185   2HG   PRO  27          2HG       PRO  27   9.043  16.144   8.177
  186   1HD   PRO  27          HD2       PRO  27   6.690  15.485   9.551
  187   2HD   PRO  27          HD3       PRO  27   8.280  14.736   9.887
  188    H    VAL  28           HN       VAL  28   5.876  17.432  11.738
  189    HA   VAL  28           HA       VAL  28   5.430  20.277  11.205
  190    HB   VAL  28           HB       VAL  28   3.399  18.214  10.424
  191   1HG1  VAL  28          1HG1      VAL  28   2.767  20.015   8.801
  192   2HG1  VAL  28          2HG1      VAL  28   2.620  20.491  10.510
  193   3HG1  VAL  28          3HG1      VAL  28   4.005  21.055   9.545
  194   1HG2  VAL  28          1HG2      VAL  28   5.088  17.372   9.088
  195   2HG2  VAL  28          2HG2      VAL  28   4.399  18.624   8.026
  196   3HG2  VAL  28          3HG2      VAL  28   5.899  18.948   8.928
  197    H    CYS  29           HN       CYS  29   3.428  17.413  12.194
  198    HA   CYS  29           HA       CYS  29   2.188  18.916  14.232
  199   1HB   CYS  29          1HB       CYS  29   1.141  16.787  14.864
  200   2HB   CYS  29          2HB       CYS  29   0.982  17.152  13.157
  201    H    GLY  30           HN       GLY  30   5.004  16.742  13.963
  202   1HA   GLY  30          HA1       GLY  30   6.797  16.725  15.414
  203   2HA   GLY  30          HA2       GLY  30   5.832  17.508  16.650
  204    H    ALA  31           HN       ALA  31   3.639  15.332  15.724
  205    HA   ALA  31           HA       ALA  31   3.943  13.675  17.918
  206   1HB   ALA  31          1HB       ALA  31   2.444  13.333  15.292
  207   2HB   ALA  31          2HB       ALA  31   2.244  12.256  16.695
  208   3HB   ALA  31          3HB       ALA  31   1.811  13.978  16.826
  209    H    SER  32           HN       SER  32   4.330  11.276  17.925
  210    HA   SER  32           HA       SER  32   6.826  10.773  16.771
  211   1HB   SER  32          1HB       SER  32   6.358   8.393  17.654
  212   2HB   SER  32          2HB       SER  32   6.387   9.689  18.833
  213    HG   SER  32           HG       SER  32   4.506   8.035  18.793
  214    H    LYS  33           HN       LYS  33   7.254   8.683  15.427
  215    HA   LYS  33           HA       LYS  33   5.471   8.788  13.151
  216   1HB   LYS  33          1HB       LYS  33   7.227   7.564  11.999
  217   2HB   LYS  33          2HB       LYS  33   7.889   8.969  12.811
  218   1HG   LYS  33          1HG       LYS  33   9.383   7.581  13.807
  219   2HG   LYS  33          2HG       LYS  33   8.056   6.946  14.760
  220   1HD   LYS  33          HD2       LYS  33   7.828   5.652  12.244
  221   2HD   LYS  33          HD3       LYS  33   9.546   5.667  12.587
  222   1HE   LYS  33          2HE       LYS  33   9.315   4.381  14.547
  223   2HE   LYS  33          3HE       LYS  33   7.655   4.878  14.807
  224   1HZ   LYS  33          HZ1       LYS  33   7.355   2.773  13.952
  225   2HZ   LYS  33          HZ2       LYS  33   7.310   3.595  12.548
  226    H    ASP  34           HN       ASP  34   4.084   7.782  15.307
  227    HA   ASP  34           HA       ASP  34   4.192   4.906  14.885
  228   1HB   ASP  34          1HB       ASP  34   2.772   4.814  16.974
  229   2HB   ASP  34          2HB       ASP  34   4.365   5.499  17.228
  230    HD2  ASP  34           HD2      ASP  34   2.699   6.934  19.266
  231    H    ALA  35           HN       ALA  35   2.241   7.891  14.700
  232    HA   ALA  35           HA       ALA  35  -0.219   6.518  14.164
  233   1HB   ALA  35          1HB       ALA  35   0.753   9.288  14.555
  234   2HB   ALA  35          2HB       ALA  35  -0.584   9.129  13.390
  235   3HB   ALA  35          3HB       ALA  35  -0.779   8.530  15.055
  236    H    PHE  36           HN       PHE  36   2.622   6.858  12.440
  237    HA   PHE  36           HA       PHE  36   1.486   7.541   9.903
  238   1HB   PHE  36          1HB       PHE  36   4.135   6.516  11.036
  239   2HB   PHE  36          2HB       PHE  36   3.909   6.562   9.299
  240    HD1  PHE  36           HD1      PHE  36   3.128   8.907  12.110
  241    HD2  PHE  36           HD2      PHE  36   4.973   8.349   8.329
  242    HE1  PHE  36           HE1      PHE  36   3.809  11.323  12.085
  243    HE2  PHE  36           HE2      PHE  36   5.654  10.765   8.304
  244    HZ   PHE  36           HZ       PHE  36   5.064  12.223  10.183
  245    H    GLU  37           HN       GLU  37   0.801   6.180   8.269
  246    HA   GLU  37           HA       GLU  37   1.534   3.464   8.243
  247   1HB   GLU  37          1HB       GLU  37  -0.447   3.836  10.038
  248   2HB   GLU  37          2HB       GLU  37  -1.438   3.745   8.596
  249   1HG   GLU  37          1HG       GLU  37  -0.907   1.516   8.188
  250   2HG   GLU  37          2HG       GLU  37   0.700   1.656   8.873
  251    HE2  GLU  37           HE2      GLU  37  -1.461  -0.407  10.026
  252    H    LYS  38           HN       LYS  38   0.795   2.389   6.263
  253    HA   LYS  38           HA       LYS  38   0.835   3.868   4.033
  254   1HB   LYS  38          1HB       LYS  38   0.971   1.396   4.167
  255   2HB   LYS  38          2HB       LYS  38  -0.762   1.318   4.417
  256   1HG   LYS  38          1HG       LYS  38  -0.657   2.902   2.166
  257   2HG   LYS  38          2HG       LYS  38   0.770   1.914   1.924
  258   1HD   LYS  38          HD2       LYS  38  -0.696   0.401   1.028
  259   2HD   LYS  38          HD3       LYS  38  -1.024  -0.018   2.698
  260   1HE   LYS  38          2HE       LYS  38  -2.863   1.756   2.701
  261   2HE   LYS  38          3HE       LYS  38  -2.595   1.961   0.981
  262   1HZ   LYS  38          HZ1       LYS  38  -3.776  -0.319   2.376
  263   2HZ   LYS  38          HZ2       LYS  38  -4.190   0.331   0.941
  264    H    GLN  39           HN       GLN  39  -0.564   5.032   2.712
  265    HA   GLN  39           HA       GLN  39  -3.348   5.016   3.295
  266   1HB   GLN  39          1HB       GLN  39  -1.749   6.886   4.700
  267   2HB   GLN  39          2HB       GLN  39  -2.499   7.810   3.414
  268   1HG   GLN  39          1HG       GLN  39  -4.130   5.908   5.142
  269   2HG   GLN  39          2HG       GLN  39  -3.804   7.550   5.661
  270   1HE2  GLN  39          1HE2      GLN  39  -5.657   5.498   3.676
  271   2HE2  GLN  39          2HE2      GLN  39  -6.623   6.682   2.861
  Start of MODEL    2
    1   1H    MET   1           HN       MET   1   1.759   2.799  -4.577
    2    HA   MET   1           HA       MET   1   2.784   0.935  -3.447
    3   1HB   MET   1          1HB       MET   1   4.183   2.874  -5.213
    4   2HB   MET   1          2HB       MET   1   5.302   1.873  -4.308
    5   1HG   MET   1          1HG       MET   1   3.593  -0.078  -5.104
    6   2HG   MET   1          2HG       MET   1   3.290   1.064  -6.398
    7   1HE   MET   1          1HE       MET   1   4.476  -1.851  -6.366
    8   2HE   MET   1          2HE       MET   1   6.192  -1.982  -6.822
    9   3HE   MET   1          3HE       MET   1   5.742  -1.701  -5.123
   10    H    ASP   2           HN       ASP   2   2.825   0.867  -1.175
   11    HA   ASP   2           HA       ASP   2   3.577   1.113   0.847
   12   1HB   ASP   2          1HB       ASP   2   6.261   1.644  -0.514
   13   2HB   ASP   2          2HB       ASP   2   6.057   1.183   1.164
   14    HD2  ASP   2           HD2      ASP   2   5.071  -2.012   0.518
   15    H    ILE   3           HN       ILE   3   2.635   3.045   1.657
   16    HA   ILE   3           HA       ILE   3   4.372   5.379   1.618
   17    HB   ILE   3           HB       ILE   3   1.512   5.349   0.663
   18   1HG1  ILE   3          2HG1      ILE   3   3.385   4.806  -0.952
   19   2HG1  ILE   3          3HG1      ILE   3   2.338   6.140  -1.398
   20   1HG2  ILE   3          1HG2      ILE   3   3.162   7.840   1.061
   21   2HG2  ILE   3          2HG2      ILE   3   1.414   7.685   0.763
   22   3HG2  ILE   3          3HG2      ILE   3   2.096   7.201   2.335
   23   1HD1  ILE   3          1HD1      ILE   3   4.898   6.495  -1.636
   24   2HD1  ILE   3          2HD1      ILE   3   3.969   7.781  -0.830
   25   3HD1  ILE   3          3HD1      ILE   3   4.915   6.625   0.139
   26    H    TYR   4           HN       TYR   4   4.267   6.578   3.453
   27    HA   TYR   4           HA       TYR   4   2.439   5.552   5.574
   28   1HB   TYR   4          1HB       TYR   4   5.322   6.479   5.713
   29   2HB   TYR   4          2HB       TYR   4   4.296   6.260   7.141
   30    HD1  TYR   4           HD1      TYR   4   3.498   4.001   7.779
   31    HD2  TYR   4           HD2      TYR   4   6.253   4.602   4.538
   32    HE1  TYR   4           HE1      TYR   4   4.088   1.593   7.834
   33    HE2  TYR   4           HE2      TYR   4   6.842   2.193   4.593
   34    HH   TYR   4           HH       TYR   4   5.586  -0.051   5.442
   35    H    VAL   5           HN       VAL   5   0.844   7.233   4.955
   36    HA   VAL   5           HA       VAL   5   1.771   9.965   5.238
   37    HB   VAL   5           HB       VAL   5  -0.953   8.807   4.614
   38   1HG1  VAL   5          1HG1      VAL   5  -1.773  10.918   4.322
   39   2HG1  VAL   5          2HG1      VAL   5  -0.562  11.274   5.577
   40   3HG1  VAL   5          3HG1      VAL   5  -0.191  11.594   3.866
   41   1HG2  VAL   5          1HG2      VAL   5  -0.076   8.330   2.612
   42   2HG2  VAL   5          2HG2      VAL   5   0.046  10.085   2.346
   43   3HG2  VAL   5          3HG2      VAL   5   1.439   9.184   2.989
   44    H    CYS   6           HN       CYS   6   1.831  10.970   7.175
   45    HA   CYS   6           HA       CYS   6   1.142   9.825   9.529
   46   1HB   CYS   6          1HB       CYS   6   2.526  11.870   9.194
   47   2HB   CYS   6          2HB       CYS   6   1.056  12.790   8.937
   48    H    THR   7           HN       THR   7  -0.713  10.044  10.974
   49    HA   THR   7           HA       THR   7  -3.193  10.652   9.509
   50    HB   THR   7           HB       THR   7  -4.172   9.076  11.281
   51    HG1  THR   7           HG1      THR   7  -2.325   9.395  12.756
   52   1HG2  THR   7          1HG2      THR   7  -2.894   6.983  10.422
   53   2HG2  THR   7          2HG2      THR   7  -3.703   7.973   9.184
   54   3HG2  THR   7          3HG2      THR   7  -1.945   8.114   9.426
   55    H    VAL   8           HN       VAL   8  -1.203  12.456  11.086
   56    HA   VAL   8           HA       VAL   8  -3.213  13.480  12.970
   57    HB   VAL   8           HB       VAL   8  -0.203  13.514  12.965
   58   1HG1  VAL   8          1HG1      VAL   8  -1.972  15.147  14.814
   59   2HG1  VAL   8          2HG1      VAL   8  -0.192  15.089  14.787
   60   3HG1  VAL   8          3HG1      VAL   8  -1.080  15.816  13.426
   61   1HG2  VAL   8          1HG2      VAL   8  -0.895  11.614  14.097
   62   2HG2  VAL   8          2HG2      VAL   8  -0.776  12.797  15.422
   63   3HG2  VAL   8          3HG2      VAL   8  -2.365  12.394  14.730
   64    H    CYS   9           HN       CYS   9  -0.605  14.441  10.635
   65    HA   CYS   9           HA       CYS   9  -2.077  16.941  10.264
   66   1HB   CYS   9          1HB       CYS   9   0.104  17.677   9.159
   67   2HB   CYS   9          2HB       CYS   9   0.062  17.541  10.905
   68    H    GLY  10           HN       GLY  10  -0.996  13.898   8.857
   69   1HA   GLY  10          HA1       GLY  10  -1.974  12.958   6.970
   70   2HA   GLY  10          HA2       GLY  10  -2.432  14.546   6.390
   71    H    TYR  11           HN       TYR  11   0.743  14.374   7.676
   72    HA   TYR  11           HA       TYR  11   2.063  15.220   5.373
   73   1HB   TYR  11          1HB       TYR  11   2.934  15.240   7.716
   74   2HB   TYR  11          2HB       TYR  11   3.188  13.490   7.601
   75    HD1  TYR  11           HD1      TYR  11   5.473  13.087   7.556
   76    HD2  TYR  11           HD2      TYR  11   3.863  16.279   5.176
   77    HE1  TYR  11           HE1      TYR  11   7.712  13.476   6.564
   78    HE2  TYR  11           HE2      TYR  11   6.102  16.669   4.183
   79    HH   TYR  11           HH       TYR  11   8.972  15.421   5.424
   80    H    GLU  12           HN       GLU  12   3.821  13.942   4.112
   81    HA   GLU  12           HA       GLU  12   2.866  11.220   3.706
   82   1HB   GLU  12          1HB       GLU  12   2.949  13.452   1.788
   83   2HB   GLU  12          2HB       GLU  12   3.822  12.049   1.202
   84   1HG   GLU  12          1HG       GLU  12   1.836  10.611   1.626
   85   2HG   GLU  12          2HG       GLU  12   0.961  11.983   2.276
   86    HE2  GLU  12           HE2      GLU  12  -0.414  12.870  -0.145
   87    H    TYR  13           HN       TYR  13   4.423   9.751   3.869
   88    HA   TYR  13           HA       TYR  13   7.244  10.689   3.838
   89   1HB   TYR  13          1HB       TYR  13   6.545   9.677   5.921
   90   2HB   TYR  13          2HB       TYR  13   5.887   8.270   5.068
   91    HD1  TYR  13           HD1      TYR  13   7.172   6.348   4.983
   92    HD2  TYR  13           HD2      TYR  13   9.127  10.149   5.414
   93    HE1  TYR  13           HE1      TYR  13   9.361   5.199   5.188
   94    HE2  TYR  13           HE2      TYR  13  11.316   9.000   5.619
   95    HH   TYR  13           HH       TYR  13  11.613   5.439   5.453
   96    H    ASP  14           HN       ASP  14   8.882   9.032   2.941
   97    HA   ASP  14           HA       ASP  14   7.626   7.492   0.819
   98   1HB   ASP  14          1HB       ASP  14   8.746   9.798   0.155
   99   2HB   ASP  14          2HB       ASP  14  10.258   8.943   0.395
  100    HD2  ASP  14           HD2      ASP  14  10.425   7.481  -2.409
  101    HA   PRO  15           HA       PRO  15   9.924   4.509   3.401
  102   1HB   PRO  15          1HB       PRO  15   9.285   3.074   0.781
  103   2HB   PRO  15          2HB       PRO  15   9.264   2.468   2.470
  104   1HG   PRO  15          1HG       PRO  15   7.021   3.334   1.261
  105   2HG   PRO  15          2HG       PRO  15   7.140   3.641   3.025
  106   1HD   PRO  15          HD2       PRO  15   7.299   5.535   0.726
  107   2HD   PRO  15          HD3       PRO  15   7.073   5.891   2.466
  108    H    ALA  16           HN       ALA  16  12.165   4.228   3.473
  109    HA   ALA  16           HA       ALA  16  14.241   3.900   2.697
  110   1HB   ALA  16          1HB       ALA  16  12.954   2.914   0.617
  111   2HB   ALA  16          2HB       ALA  16  13.436   4.442  -0.159
  112   3HB   ALA  16          3HB       ALA  16  14.678   3.336   0.477
  113    H    PHE  17           HN       PHE  17  14.266   5.991   3.958
  114    HA   PHE  17           HA       PHE  17  14.432   8.351   2.273
  115   1HB   PHE  17          1HB       PHE  17  13.212   8.189   4.542
  116   2HB   PHE  17          2HB       PHE  17  14.766   7.907   5.301
  117    HD1  PHE  17           HD1      PHE  17  16.598   9.764   4.689
  118    HD2  PHE  17           HD2      PHE  17  12.396  10.342   4.562
  119    HE1  PHE  17           HE1      PHE  17  16.932  12.240   4.928
  120    HE2  PHE  17           HE2      PHE  17  12.730  12.819   4.801
  121    HZ   PHE  17           HZ       PHE  17  14.993  13.738   4.981
  122    H    GLU  18           HN       GLU  18  16.416   6.925   4.976
  123    HA   GLU  18           HA       GLU  18  18.738   6.795   3.512
  124   1HB   GLU  18          1HB       GLU  18  18.305   9.395   3.682
  125   2HB   GLU  18          2HB       GLU  18  18.882   9.214   5.327
  126   1HG   GLU  18          1HG       GLU  18  21.053   8.819   4.673
  127   2HG   GLU  18          2HG       GLU  18  20.574   7.852   3.292
  128    HE2  GLU  18           HE2      GLU  18  19.120   9.621   1.824
  129    H    ASP  19           HN       ASP  19  18.048   8.202   6.799
  130    HA   ASP  19           HA       ASP  19  19.633   6.056   7.900
  131   1HB   ASP  19          1HB       ASP  19  18.419   8.567   9.147
  132   2HB   ASP  19          2HB       ASP  19  19.375   7.403  10.042
  133    HD2  ASP  19           HD2      ASP  19  21.061   9.115   6.947
  134    H    LEU  20           HN       LEU  20  16.411   7.707   8.272
  135    HA   LEU  20           HA       LEU  20  14.589   7.090   9.427
  136   1HB   LEU  20          1HB       LEU  20  13.879   6.179   7.477
  137   2HB   LEU  20          2HB       LEU  20  15.209   5.042   7.377
  138    HG   LEU  20           HG       LEU  20  13.443   4.434   9.618
  139   1HD1  LEU  20          1HD1      LEU  20  12.170   4.172   6.890
  140   2HD1  LEU  20          2HD1      LEU  20  11.448   3.873   8.491
  141   3HD1  LEU  20          3HD1      LEU  20  11.837   5.536   7.985
  142   1HD2  LEU  20          1HD2      LEU  20  14.861   3.057   7.419
  143   2HD2  LEU  20          2HD2      LEU  20  14.685   2.619   9.136
  144   3HD2  LEU  20          3HD2      LEU  20  13.367   2.274   7.990
  145    HA   PRO  21           HA       PRO  21  16.594   4.741  12.766
  146   1HB   PRO  21          1HB       PRO  21  16.173   6.579  14.732
  147   2HB   PRO  21          2HB       PRO  21  17.476   6.777  13.516
  148   1HG   PRO  21          1HG       PRO  21  14.844   8.018  13.621
  149   2HG   PRO  21          2HG       PRO  21  16.391   8.797  13.154
  150   1HD   PRO  21          HD2       PRO  21  14.449   7.877  11.350
  151   2HD   PRO  21          HD3       PRO  21  16.188   8.024  10.954
  152    H    ASP  22           HN       ASP  22  15.498   4.307  15.118
  153    HA   ASP  22           HA       ASP  22  12.789   3.601  14.440
  154   1HB   ASP  22          1HB       ASP  22  13.793   2.888  17.135
  155   2HB   ASP  22          2HB       ASP  22  13.053   1.866  15.919
  156    HD2  ASP  22           HD2      ASP  22  16.247   2.792  17.111
  157    H    ASP  23           HN       ASP  23  13.376   6.427  14.903
  158    HA   ASP  23           HA       ASP  23  11.490   6.898  16.965
  159   1HB   ASP  23          1HB       ASP  23  13.739   6.696  18.179
  160   2HB   ASP  23          2HB       ASP  23  14.278   8.100  17.280
  161    HD2  ASP  23           HD2      ASP  23  14.226   9.737  18.479
  162    H    TRP  24           HN       TRP  24  11.463   7.353  14.171
  163    HA   TRP  24           HA       TRP  24  12.379  10.015  13.609
  164   1HB   TRP  24          1HB       TRP  24  12.256   8.036  11.997
  165   2HB   TRP  24          2HB       TRP  24  10.530   8.331  11.929
  166    HD1  TRP  24           HD1      TRP  24  13.609  10.745  11.603
  167    HE1  TRP  24           HE1      TRP  24  13.313  12.326   9.513
  168    HE3  TRP  24           HE3      TRP  24   9.136   8.828  10.128
  169    HZ2  TRP  24           HZ2      TRP  24  11.286  12.593   7.520
  170    HZ3  TRP  24           HZ3      TRP  24   8.066   9.806   8.100
  171    HH2  TRP  24           HH2      TRP  24   9.068  11.625   6.810
  172    H    ALA  25           HN       ALA  25  11.093  11.892  13.503
  173    HA   ALA  25           HA       ALA  25   8.311  11.542  14.387
  174   1HB   ALA  25          1HB       ALA  25   9.689  14.058  15.131
  175   2HB   ALA  25          2HB       ALA  25   8.599  13.024  16.085
  176   3HB   ALA  25          3HB       ALA  25  10.320  12.598  15.930
  177    H    CYS  26           HN       CYS  26   6.768  12.799  13.318
  178    HA   CYS  26           HA       CYS  26   7.108  13.439  10.748
  179   1HB   CYS  26          1HB       CYS  26   5.061  13.638  12.522
  180   2HB   CYS  26          2HB       CYS  26   5.367  15.333  12.203
  181    HA   PRO  27           HA       PRO  27   9.700  17.045  10.797
  182   1HB   PRO  27          1HB       PRO  27   9.738  17.539   8.132
  183   2HB   PRO  27          2HB       PRO  27  10.442  16.035   8.808
  184   1HG   PRO  27          1HG       PRO  27   7.603  16.237   7.382
  185   2HG   PRO  27          2HG       PRO  27   9.079  15.218   7.412
  186   1HD   PRO  27          HD2       PRO  27   6.673  14.971   9.030
  187   2HD   PRO  27          HD3       PRO  27   8.176  14.009   9.163
  188    H    VAL  28           HN       VAL  28   6.468  17.118  10.957
  189    HA   VAL  28           HA       VAL  28   6.413  19.989  10.441
  190    HB   VAL  28           HB       VAL  28   4.049  18.339   9.655
  191   1HG1  VAL  28          1HG1      VAL  28   3.461  20.197   8.349
  192   2HG1  VAL  28          2HG1      VAL  28   4.157  20.912   9.824
  193   3HG1  VAL  28          3HG1      VAL  28   5.124  20.832   8.331
  194   1HG2  VAL  28          1HG2      VAL  28   6.534  18.737   7.961
  195   2HG2  VAL  28          2HG2      VAL  28   5.771  17.201   8.437
  196   3HG2  VAL  28          3HG2      VAL  28   4.943  18.291   7.300
  197    H    CYS  29           HN       CYS  29   4.007  17.432  11.365
  198    HA   CYS  29           HA       CYS  29   2.949  18.995  13.419
  199   1HB   CYS  29          1HB       CYS  29   1.651  17.094  14.006
  200   2HB   CYS  29          2HB       CYS  29   1.764  17.159  12.259
  201    H    GLY  30           HN       GLY  30   5.807  16.993  13.125
  202   1HA   GLY  30          HA1       GLY  30   7.482  16.551  14.559
  203   2HA   GLY  30          HA2       GLY  30   6.812  17.750  15.647
  204    H    ALA  31           HN       ALA  31   5.066  14.846  14.441
  205    HA   ALA  31           HA       ALA  31   4.888  13.954  17.227
  206   1HB   ALA  31          1HB       ALA  31   3.185  12.897  14.978
  207   2HB   ALA  31          2HB       ALA  31   2.790  13.096  16.703
  208   3HB   ALA  31          3HB       ALA  31   2.857  14.519  15.635
  209    H    SER  32           HN       SER  32   4.945  11.555  17.589
  210    HA   SER  32           HA       SER  32   7.269  10.517  16.532
  211   1HB   SER  32          1HB       SER  32   6.371   8.321  17.559
  212   2HB   SER  32          2HB       SER  32   6.587   9.683  18.640
  213    HG   SER  32           HG       SER  32   4.490   9.681  19.056
  214    H    LYS  33           HN       LYS  33   7.574   8.571  15.148
  215    HA   LYS  33           HA       LYS  33   5.710   8.630  12.941
  216   1HB   LYS  33          1HB       LYS  33   7.411   7.315  11.780
  217   2HB   LYS  33          2HB       LYS  33   8.100   8.761  12.488
  218   1HG   LYS  33          1HG       LYS  33   9.636   7.419  13.487
  219   2HG   LYS  33          2HG       LYS  33   8.352   6.864  14.542
  220   1HD   LYS  33          HD2       LYS  33   7.990   5.406  12.136
  221   2HD   LYS  33          HD3       LYS  33   9.723   5.429  12.385
  222   1HE   LYS  33          2HE       LYS  33   9.504   4.464  14.610
  223   2HE   LYS  33          3HE       LYS  33   7.765   4.684  14.603
  224   1HZ   LYS  33          HZ1       LYS  33   7.481   2.869  13.259
  225   2HZ   LYS  33          HZ2       LYS  33   8.858   3.089  12.419
  226    H    ASP  34           HN       ASP  34   4.307   7.725  15.078
  227    HA   ASP  34           HA       ASP  34   4.344   4.834  14.709
  228   1HB   ASP  34          1HB       ASP  34   4.735   5.630  17.050
  229   2HB   ASP  34          2HB       ASP  34   3.217   6.505  17.006
  230    HD2  ASP  34           HD2      ASP  34   2.752   5.260  18.818
  231    H    ALA  35           HN       ALA  35   2.367   7.844  15.009
  232    HA   ALA  35           HA       ALA  35  -0.136   6.638  14.632
  233   1HB   ALA  35          1HB       ALA  35   1.050   9.359  14.659
  234   2HB   ALA  35          2HB       ALA  35  -0.448   9.193  13.711
  235   3HB   ALA  35          3HB       ALA  35  -0.431   8.748  15.434
  236    H    PHE  36           HN       PHE  36   2.553   7.007  12.533
  237    HA   PHE  36           HA       PHE  36   1.198   7.491  10.117
  238   1HB   PHE  36          1HB       PHE  36   3.841   6.262  11.038
  239   2HB   PHE  36          2HB       PHE  36   3.439   6.234   9.333
  240    HD1  PHE  36           HD1      PHE  36   2.811   8.922  11.833
  241    HD2  PHE  36           HD2      PHE  36   4.933   7.724   8.359
  242    HE1  PHE  36           HE1      PHE  36   3.712  11.250  11.582
  243    HE2  PHE  36           HE2      PHE  36   5.835  10.054   8.107
  244    HZ   PHE  36           HZ       PHE  36   5.214  11.789   9.721
  245    H    GLU  37           HN       GLU  37   0.174   6.138   8.674
  246    HA   GLU  37           HA       GLU  37   0.607   3.328   8.855
  247   1HB   GLU  37          1HB       GLU  37  -1.370   4.273  10.515
  248   2HB   GLU  37          2HB       GLU  37  -2.297   3.967   9.059
  249   1HG   GLU  37          1HG       GLU  37  -2.209   1.970  10.567
  250   2HG   GLU  37          2HG       GLU  37  -1.536   1.637   8.984
  251    HE2  GLU  37           HE2      GLU  37   0.063   0.374   9.306
  252    H    LYS  38           HN       LYS  38  -0.080   2.224   6.931
  253    HA   LYS  38           HA       LYS  38   0.085   3.524   4.599
  254   1HB   LYS  38          1HB       LYS  38   0.126   1.104   4.803
  255   2HB   LYS  38          2HB       LYS  38  -1.573   1.066   5.226
  256   1HG   LYS  38          1HG       LYS  38  -0.974   2.515   2.692
  257   2HG   LYS  38          2HG       LYS  38  -0.586   0.806   2.655
  258   1HD   LYS  38          HD2       LYS  38  -2.953   0.391   3.624
  259   2HD   LYS  38          HD3       LYS  38  -3.286   2.076   3.273
  260   1HE   LYS  38          2HE       LYS  38  -3.492   1.689   1.030
  261   2HE   LYS  38          3HE       LYS  38  -2.049   0.697   0.977
  262   1HZ   LYS  38          HZ1       LYS  38  -3.299  -1.191   1.700
  263   2HZ   LYS  38          HZ2       LYS  38  -4.613  -0.307   2.081
  264    H    GLN  39           HN       GLN  39  -1.219   4.662   3.163
  265    HA   GLN  39           HA       GLN  39  -3.992   4.773   3.461
  266   1HB   GLN  39          1HB       GLN  39  -2.813   6.322   5.380
  267   2HB   GLN  39          2HB       GLN  39  -2.908   7.489   4.076
  268   1HG   GLN  39          1HG       GLN  39  -5.295   5.809   4.961
  269   2HG   GLN  39          2HG       GLN  39  -4.943   7.385   5.641
  270   1HE2  GLN  39          1HE2      GLN  39  -5.080   9.238   4.376
  271   2HE2  GLN  39          2HE2      GLN  39  -5.958   9.295   2.883
  Start of MODEL    3
    1   1H    MET   1           HN       MET   1   0.785   0.734  -1.863
    2    HA   MET   1           HA       MET   1   2.621   0.569  -3.133
    3   1HB   MET   1          1HB       MET   1   1.989   3.478  -3.854
    4   2HB   MET   1          2HB       MET   1   3.483   2.713  -4.359
    5   1HG   MET   1          1HG       MET   1   1.920   0.813  -5.315
    6   2HG   MET   1          2HG       MET   1   0.642   2.002  -5.167
    7   1HE   MET   1          1HE       MET   1   2.128   0.671  -8.121
    8   2HE   MET   1          2HE       MET   1   3.643   1.560  -8.401
    9   3HE   MET   1          3HE       MET   1   3.442   0.589  -6.924
   10    H    ASP   2           HN       ASP   2   2.820   0.604  -0.516
   11    HA   ASP   2           HA       ASP   2   3.913   1.218   1.269
   12   1HB   ASP   2          1HB       ASP   2   5.996   1.755  -0.890
   13   2HB   ASP   2          2HB       ASP   2   6.389   1.843   0.815
   14    HD2  ASP   2           HD2      ASP   2   6.412  -1.333   1.508
   15    H    ILE   3           HN       ILE   3   2.739   3.104   1.992
   16    HA   ILE   3           HA       ILE   3   4.174   5.594   1.595
   17    HB   ILE   3           HB       ILE   3   1.278   5.189   0.861
   18   1HG1  ILE   3          2HG1      ILE   3   3.656   6.241  -0.699
   19   2HG1  ILE   3          3HG1      ILE   3   2.895   4.677  -0.908
   20   1HG2  ILE   3          1HG2      ILE   3   0.786   7.292   1.373
   21   2HG2  ILE   3          2HG2      ILE   3   2.352   7.404   2.212
   22   3HG2  ILE   3          3HG2      ILE   3   2.218   7.896   0.507
   23   1HD1  ILE   3          1HD1      ILE   3   2.204   7.007  -2.269
   24   2HD1  ILE   3          2HD1      ILE   3   1.192   5.547  -2.145
   25   3HD1  ILE   3          3HD1      ILE   3   0.950   6.896  -1.011
   26    H    TYR   4           HN       TYR   4   4.245   6.775   3.395
   27    HA   TYR   4           HA       TYR   4   2.637   5.797   5.707
   28   1HB   TYR   4          1HB       TYR   4   5.378   7.095   5.566
   29   2HB   TYR   4          2HB       TYR   4   4.504   6.768   7.071
   30    HD1  TYR   4           HD1      TYR   4   4.216   4.486   7.894
   31    HD2  TYR   4           HD2      TYR   4   6.367   5.291   4.263
   32    HE1  TYR   4           HE1      TYR   4   5.157   2.192   7.942
   33    HE2  TYR   4           HE2      TYR   4   7.307   2.997   4.313
   34    HH   TYR   4           HH       TYR   4   7.769   1.172   6.126
   35    H    VAL   5           HN       VAL   5   0.799   7.197   5.412
   36    HA   VAL   5           HA       VAL   5   1.418  10.045   5.303
   37    HB   VAL   5           HB       VAL   5  -1.222   8.586   5.082
   38   1HG1  VAL   5          1HG1      VAL   5  -0.925  11.183   5.700
   39   2HG1  VAL   5          2HG1      VAL   5  -0.791  11.301   3.929
   40   3HG1  VAL   5          3HG1      VAL   5  -2.243  10.581   4.666
   41   1HG2  VAL   5          1HG2      VAL   5   0.539   8.068   3.297
   42   2HG2  VAL   5          2HG2      VAL   5  -1.038   8.670   2.729
   43   3HG2  VAL   5          3HG2      VAL   5   0.363   9.766   2.792
   44    H    CYS   6           HN       CYS   6   1.659  11.108   7.195
   45    HA   CYS   6           HA       CYS   6   1.212  10.041   9.655
   46   1HB   CYS   6          1HB       CYS   6   2.530  12.085   9.122
   47   2HB   CYS   6          2HB       CYS   6   1.031  12.974   8.938
   48    H    THR   7           HN       THR   7  -0.507  10.408  11.272
   49    HA   THR   7           HA       THR   7  -3.116  10.866   9.986
   50    HB   THR   7           HB       THR   7  -3.947   9.354  11.833
   51    HG1  THR   7           HG1      THR   7  -2.087   9.925  13.248
   52   1HG2  THR   7          1HG2      THR   7  -2.561   7.263  11.156
   53   2HG2  THR   7          2HG2      THR   7  -3.414   8.102   9.839
   54   3HG2  THR   7          3HG2      THR   7  -1.666   8.351  10.068
   55    H    VAL   8           HN       VAL   8  -1.045  12.799  11.248
   56    HA   VAL   8           HA       VAL   8  -2.912  13.920  13.223
   57    HB   VAL   8           HB       VAL   8   0.090  13.909  13.039
   58   1HG1  VAL   8          1HG1      VAL   8  -0.204  16.178  13.465
   59   2HG1  VAL   8          2HG1      VAL   8  -1.693  15.917  14.404
   60   3HG1  VAL   8          3HG1      VAL   8  -0.114  15.491  15.105
   61   1HG2  VAL   8          1HG2      VAL   8  -0.566  12.115  14.348
   62   2HG2  VAL   8          2HG2      VAL   8  -0.348  13.389  15.572
   63   3HG2  VAL   8          3HG2      VAL   8  -1.982  12.969  15.005
   64    H    CYS   9           HN       CYS   9  -0.431  14.744  10.701
   65    HA   CYS   9           HA       CYS   9  -1.940  17.212  10.257
   66   1HB   CYS   9          1HB       CYS   9   0.192  17.898   9.023
   67   2HB   CYS   9          2HB       CYS   9   0.213  17.871  10.775
   68    H    GLY  10           HN       GLY  10  -1.020  14.071   9.030
   69   1HA   GLY  10          HA1       GLY  10  -2.029  13.034   7.228
   70   2HA   GLY  10          HA2       GLY  10  -2.502  14.588   6.570
   71    H    TYR  11           HN       TYR  11   0.704  14.593   7.712
   72    HA   TYR  11           HA       TYR  11   1.997  15.327   5.434
   73   1HB   TYR  11          1HB       TYR  11   2.957  15.104   7.742
   74   2HB   TYR  11          2HB       TYR  11   3.110  13.361   7.461
   75    HD1  TYR  11           HD1      TYR  11   5.425  12.990   7.439
   76    HD2  TYR  11           HD2      TYR  11   3.766  16.181   5.088
   77    HE1  TYR  11           HE1      TYR  11   7.634  13.356   6.375
   78    HE2  TYR  11           HE2      TYR  11   5.977  16.545   4.024
   79    HH   TYR  11           HH       TYR  11   8.478  16.077   4.633
   80    H    GLU  12           HN       GLU  12   3.375  14.170   3.815
   81    HA   GLU  12           HA       GLU  12   2.407  11.451   3.411
   82   1HB   GLU  12          1HB       GLU  12   2.294  13.795   1.579
   83   2HB   GLU  12          2HB       GLU  12   2.879  12.319   0.840
   84   1HG   GLU  12          1HG       GLU  12   0.574  11.733   2.531
   85   2HG   GLU  12          2HG       GLU  12   0.175  13.016   1.406
   86    HE2  GLU  12           HE2      GLU  12  -1.059  10.561   0.298
   87    H    TYR  13           HN       TYR  13   4.017  10.044   3.408
   88    HA   TYR  13           HA       TYR  13   6.765  11.025   2.833
   89   1HB   TYR  13          1HB       TYR  13   6.219  10.011   5.079
   90   2HB   TYR  13          2HB       TYR  13   5.887   8.485   4.242
   91    HD1  TYR  13           HD1      TYR  13   7.616   6.967   3.828
   92    HD2  TYR  13           HD2      TYR  13   8.568  11.058   4.732
   93    HE1  TYR  13           HE1      TYR  13  10.023   6.384   3.935
   94    HE2  TYR  13           HE2      TYR  13  10.975  10.474   4.838
   95    HH   TYR  13           HH       TYR  13  12.433   8.483   5.191
   96    H    ASP  14           HN       ASP  14   8.224   9.563   1.566
   97    HA   ASP  14           HA       ASP  14   6.686   7.735  -0.091
   98   1HB   ASP  14          1HB       ASP  14   7.289  10.092  -1.126
   99   2HB   ASP  14          2HB       ASP  14   8.915   9.448  -1.238
  100    HD2  ASP  14           HD2      ASP  14   8.659   9.250  -3.840
  101    HA   PRO  15           HA       PRO  15  10.040   5.434   2.097
  102   1HB   PRO  15          1HB       PRO  15   8.731   3.496   0.133
  103   2HB   PRO  15          2HB       PRO  15   9.338   3.226   1.800
  104   1HG   PRO  15          1HG       PRO  15   6.707   3.735   1.368
  105   2HG   PRO  15          2HG       PRO  15   7.463   4.363   2.870
  106   1HD   PRO  15          HD2       PRO  15   6.560   5.802   0.404
  107   2HD   PRO  15          HD3       PRO  15   6.902   6.457   2.034
  108    H    ALA  16           HN       ALA  16  12.039   6.153   1.277
  109    HA   ALA  16           HA       ALA  16  13.246   4.823  -0.782
  110   1HB   ALA  16          1HB       ALA  16  12.548   5.740  -2.707
  111   2HB   ALA  16          2HB       ALA  16  11.348   6.692  -1.799
  112   3HB   ALA  16          3HB       ALA  16  12.966   7.364  -2.112
  113    H    PHE  17           HN       PHE  17  14.434   5.155   1.396
  114    HA   PHE  17           HA       PHE  17  16.368   7.240   0.943
  115   1HB   PHE  17          1HB       PHE  17  14.530   7.004   3.395
  116   2HB   PHE  17          2HB       PHE  17  16.029   7.910   3.453
  117    HD1  PHE  17           HD1      PHE  17  16.277   9.985   2.141
  118    HD2  PHE  17           HD2      PHE  17  12.594   7.883   2.278
  119    HE1  PHE  17           HE1      PHE  17  15.087  12.012   1.263
  120    HE2  PHE  17           HE2      PHE  17  11.403   9.911   1.402
  121    HZ   PHE  17           HZ       PHE  17  12.664  11.952   0.905
  122    H    GLU  18           HN       GLU  18  17.805   7.125   3.296
  123    HA   GLU  18           HA       GLU  18  18.100   4.327   3.930
  124   1HB   GLU  18          1HB       GLU  18  19.608   5.058   1.905
  125   2HB   GLU  18          2HB       GLU  18  20.568   5.887   3.115
  126   1HG   GLU  18          1HG       GLU  18  20.361   3.500   4.368
  127   2HG   GLU  18          2HG       GLU  18  20.136   2.933   2.726
  128    HE2  GLU  18           HE2      GLU  18  23.101   2.360   2.506
  129    H    ASP  19           HN       ASP  19  17.021   5.695   5.806
  130    HA   ASP  19           HA       ASP  19  18.834   5.795   7.852
  131   1HB   ASP  19          1HB       ASP  19  19.016   8.131   6.286
  132   2HB   ASP  19          2HB       ASP  19  17.993   8.613   7.625
  133    HD2  ASP  19           HD2      ASP  19  20.786   9.703   8.780
  134    H    LEU  20           HN       LEU  20  17.086   4.742   8.949
  135    HA   LEU  20           HA       LEU  20  14.923   6.514   9.740
  136   1HB   LEU  20          1HB       LEU  20  14.339   5.054   7.670
  137   2HB   LEU  20          2HB       LEU  20  14.253   3.737   8.823
  138    HG   LEU  20           HG       LEU  20  12.662   6.290   9.143
  139   1HD1  LEU  20          1HD1      LEU  20  11.258   5.690   7.537
  140   2HD1  LEU  20          2HD1      LEU  20  12.329   4.332   7.119
  141   3HD1  LEU  20          3HD1      LEU  20  11.020   4.100   8.303
  142   1HD2  LEU  20          1HD2      LEU  20  12.717   5.205  11.205
  143   2HD2  LEU  20          2HD2      LEU  20  11.196   4.640  10.474
  144   3HD2  LEU  20          3HD2      LEU  20  12.631   3.586  10.471
  145    HA   PRO  21           HA       PRO  21  16.906   4.320  13.227
  146   1HB   PRO  21          1HB       PRO  21  16.251   6.896  14.580
  147   2HB   PRO  21          2HB       PRO  21  17.823   6.053  14.379
  148   1HG   PRO  21          1HG       PRO  21  17.317   8.395  12.936
  149   2HG   PRO  21          2HG       PRO  21  18.311   7.007  12.385
  150   1HD   PRO  21          HD2       PRO  21  15.353   7.632  11.865
  151   2HD   PRO  21          HD3       PRO  21  16.621   7.174  10.686
  152    H    ASP  22           HN       ASP  22  15.894   4.478  15.725
  153    HA   ASP  22           HA       ASP  22  13.120   3.819  15.253
  154   1HB   ASP  22          1HB       ASP  22  13.401   3.026  17.760
  155   2HB   ASP  22          2HB       ASP  22  14.086   2.068  16.462
  156    HD2  ASP  22           HD2      ASP  22  16.111   1.679  16.558
  157    H    ASP  23           HN       ASP  23  13.249   6.491  15.068
  158    HA   ASP  23           HA       ASP  23  11.743   7.426  17.163
  159   1HB   ASP  23          1HB       ASP  23  14.204   7.315  18.157
  160   2HB   ASP  23          2HB       ASP  23  14.464   8.763  17.206
  161    HD2  ASP  23           HD2      ASP  23  13.692   7.742  20.099
  162    H    TRP  24           HN       TRP  24  11.067   7.676  14.666
  163    HA   TRP  24           HA       TRP  24  12.250  10.083  13.509
  164   1HB   TRP  24          1HB       TRP  24  11.920   7.902  12.221
  165   2HB   TRP  24          2HB       TRP  24  10.206   8.264  12.247
  166    HD1  TRP  24           HD1      TRP  24  13.299  10.510  11.360
  167    HE1  TRP  24           HE1      TRP  24  12.892  11.766   9.075
  168    HE3  TRP  24           HE3      TRP  24   8.723   8.486  10.459
  169    HZ2  TRP  24           HZ2      TRP  24  10.749  11.772   7.189
  170    HZ3  TRP  24           HZ3      TRP  24   7.541   9.169   8.373
  171    HH2  TRP  24           HH2      TRP  24   8.482  10.753   6.767
  172    H    ALA  25           HN       ALA  25  11.041  11.990  13.248
  173    HA   ALA  25           HA       ALA  25   8.311  11.904  14.333
  174   1HB   ALA  25          1HB       ALA  25   9.393  14.461  14.849
  175   2HB   ALA  25          2HB       ALA  25   9.032  13.185  16.035
  176   3HB   ALA  25          3HB       ALA  25  10.659  13.304  15.322
  177    H    CYS  26           HN       CYS  26   6.775  13.085  13.187
  178    HA   CYS  26           HA       CYS  26   7.195  13.518  10.524
  179   1HB   CYS  26          1HB       CYS  26   5.024  13.430  12.004
  180   2HB   CYS  26          2HB       CYS  26   5.189  15.176  12.009
  181    HA   PRO  27           HA       PRO  27   9.605  17.238  10.509
  182   1HB   PRO  27          1HB       PRO  27   9.498  17.769   7.846
  183   2HB   PRO  27          2HB       PRO  27  10.342  16.318   8.479
  184   1HG   PRO  27          1HG       PRO  27   7.378  16.310   7.358
  185   2HG   PRO  27          2HG       PRO  27   8.861  15.383   6.963
  186   1HD   PRO  27          HD2       PRO  27   6.984  14.560   8.837
  187   2HD   PRO  27          HD3       PRO  27   8.726  14.173   8.978
  188    H    VAL  28           HN       VAL  28   6.219  16.963  10.199
  189    HA   VAL  28           HA       VAL  28   5.976  19.850   9.714
  190    HB   VAL  28           HB       VAL  28   3.946  17.623   9.440
  191   1HG1  VAL  28          1HG1      VAL  28   3.351  20.195  10.038
  192   2HG1  VAL  28          2HG1      VAL  28   3.437  20.302   8.264
  193   3HG1  VAL  28          3HG1      VAL  28   2.319  19.150   9.034
  194   1HG2  VAL  28          1HG2      VAL  28   4.501  19.084   7.013
  195   2HG2  VAL  28          2HG2      VAL  28   6.010  18.425   7.687
  196   3HG2  VAL  28          3HG2      VAL  28   4.642  17.340   7.340
  197    H    CYS  29           HN       CYS  29   3.555  17.717  11.245
  198    HA   CYS  29           HA       CYS  29   2.962  19.424  13.269
  199   1HB   CYS  29          1HB       CYS  29   2.027  17.450  14.451
  200   2HB   CYS  29          2HB       CYS  29   1.510  17.619  12.785
  201    H    GLY  30           HN       GLY  30   5.308  16.649  13.248
  202   1HA   GLY  30          HA1       GLY  30   7.438  16.909  14.285
  203   2HA   GLY  30          HA2       GLY  30   6.713  17.945  15.499
  204    H    ALA  31           HN       ALA  31   4.304  15.799  15.227
  205    HA   ALA  31           HA       ALA  31   4.848  14.489  17.610
  206   1HB   ALA  31          1HB       ALA  31   2.698  14.817  15.895
  207   2HB   ALA  31          2HB       ALA  31   3.039  13.076  15.762
  208   3HB   ALA  31          3HB       ALA  31   2.709  13.800  17.354
  209    H    SER  32           HN       SER  32   4.970  12.026  17.872
  210    HA   SER  32           HA       SER  32   7.295  11.178  16.570
  211   1HB   SER  32          1HB       SER  32   6.677   8.942  17.745
  212   2HB   SER  32          2HB       SER  32   7.006  10.337  18.754
  213    HG   SER  32           HG       SER  32   4.311   9.870  17.913
  214    H    LYS  33           HN       LYS  33   7.334   8.802  15.557
  215    HA   LYS  33           HA       LYS  33   5.403   8.880  13.391
  216   1HB   LYS  33          1HB       LYS  33   6.914   7.287  12.303
  217   2HB   LYS  33          2HB       LYS  33   7.757   8.737  12.809
  218   1HG   LYS  33          1HG       LYS  33   9.215   7.446  13.968
  219   2HG   LYS  33          2HG       LYS  33   7.907   6.973  15.036
  220   1HD   LYS  33          HD2       LYS  33   8.752   4.912  14.186
  221   2HD   LYS  33          HD3       LYS  33   7.285   5.191  13.269
  222   1HE   LYS  33          2HE       LYS  33   9.855   6.300  12.149
  223   2HE   LYS  33          3HE       LYS  33   9.621   4.566  12.070
  224   1HZ   LYS  33          HZ1       LYS  33   8.396   5.013  10.248
  225   2HZ   LYS  33          HZ2       LYS  33   7.227   5.584  11.226
  226    H    ASP  34           HN       ASP  34   4.254   8.269  15.899
  227    HA   ASP  34           HA       ASP  34   4.037   5.391  15.899
  228   1HB   ASP  34          1HB       ASP  34   2.647   5.787  17.963
  229   2HB   ASP  34          2HB       ASP  34   4.272   6.432  18.082
  230    HD2  ASP  34           HD2      ASP  34   1.505   8.751  19.111
  231    H    ALA  35           HN       ALA  35   1.995   8.401  15.733
  232    HA   ALA  35           HA       ALA  35  -0.431   7.103  15.261
  233   1HB   ALA  35          1HB       ALA  35   0.529   9.725  15.604
  234   2HB   ALA  35          2HB       ALA  35  -0.220   9.716  13.989
  235   3HB   ALA  35          3HB       ALA  35  -1.168   9.223  15.412
  236    H    PHE  36           HN       PHE  36   2.400   7.410  13.318
  237    HA   PHE  36           HA       PHE  36   1.232   7.607  10.782
  238   1HB   PHE  36          1HB       PHE  36   3.809   6.594  12.050
  239   2HB   PHE  36          2HB       PHE  36   3.547   6.243  10.353
  240    HD1  PHE  36           HD1      PHE  36   3.334   9.167  12.674
  241    HD2  PHE  36           HD2      PHE  36   4.411   7.734   8.829
  242    HE1  PHE  36           HE1      PHE  36   4.203  11.443  12.070
  243    HE2  PHE  36           HE2      PHE  36   5.281  10.010   8.224
  244    HZ   PHE  36           HZ       PHE  36   5.166  11.836   9.852
  245    H    GLU  37           HN       GLU  37   0.382   6.102   9.365
  246    HA   GLU  37           HA       GLU  37   0.418   3.348  10.329
  247   1HB   GLU  37          1HB       GLU  37  -1.829   4.833  10.365
  248   2HB   GLU  37          2HB       GLU  37  -1.902   4.334   8.687
  249   1HG   GLU  37          1HG       GLU  37  -2.240   2.097   9.210
  250   2HG   GLU  37          2HG       GLU  37  -1.275   2.175  10.671
  251    HE2  GLU  37           HE2      GLU  37  -3.665   1.186  11.725
  252    H    LYS  38           HN       LYS  38   0.293   1.681   8.608
  253    HA   LYS  38           HA       LYS  38   1.630   2.651   6.208
  254   1HB   LYS  38          1HB       LYS  38   2.535   0.773   7.696
  255   2HB   LYS  38          2HB       LYS  38   1.244  -0.224   7.059
  256   1HG   LYS  38          1HG       LYS  38   2.148  -0.286   4.911
  257   2HG   LYS  38          2HG       LYS  38   2.885   1.297   5.052
  258   1HD   LYS  38          HD2       LYS  38   4.855   0.243   5.455
  259   2HD   LYS  38          HD3       LYS  38   4.211  -0.215   7.018
  260   1HE   LYS  38          2HE       LYS  38   3.252  -2.299   6.015
  261   2HE   LYS  38          3HE       LYS  38   3.891  -1.840   4.448
  262   1HZ   LYS  38          HZ1       LYS  38   5.758  -1.982   6.712
  263   2HZ   LYS  38          HZ2       LYS  38   5.273  -3.379   6.032
  264    H    GLN  39           HN       GLN  39   0.230   3.340   4.661
  265    HA   GLN  39           HA       GLN  39  -1.690   1.404   3.761
  266   1HB   GLN  39          1HB       GLN  39  -2.722   3.095   5.533
  267   2HB   GLN  39          2HB       GLN  39  -2.729   4.210   4.181
  268   1HG   GLN  39          1HG       GLN  39  -3.831   1.442   3.716
  269   2HG   GLN  39          2HG       GLN  39  -4.798   2.553   4.665
  270   1HE2  GLN  39          1HE2      GLN  39  -6.371   3.164   3.363
  271   2HE2  GLN  39          2HE2      GLN  39  -6.197   3.874   1.793
  Start of MODEL    4
    1   1H    MET   1           HN       MET   1   7.564   0.412  -3.814
    2    HA   MET   1           HA       MET   1   5.120   0.769  -3.754
    3   1HB   MET   1          1HB       MET   1   6.592  -1.800  -3.210
    4   2HB   MET   1          2HB       MET   1   4.853  -1.872  -3.000
    5   1HG   MET   1          1HG       MET   1   4.532  -0.965  -5.312
    6   2HG   MET   1          2HG       MET   1   6.269  -0.881  -5.523
    7   1HE   MET   1          1HE       MET   1   5.060  -2.790  -7.838
    8   2HE   MET   1          2HE       MET   1   6.623  -2.096  -7.342
    9   3HE   MET   1          3HE       MET   1   6.462  -3.853  -7.578
   10    H    ASP   2           HN       ASP   2   5.414   2.247  -1.563
   11    HA   ASP   2           HA       ASP   2   3.459   1.181   0.161
   12   1HB   ASP   2          1HB       ASP   2   6.101   0.532   0.844
   13   2HB   ASP   2          2HB       ASP   2   5.786   1.958   1.813
   14    HD2  ASP   2           HD2      ASP   2   6.070  -0.851   2.594
   15    H    ILE   3           HN       ILE   3   2.778   2.907   1.770
   16    HA   ILE   3           HA       ILE   3   4.051   5.489   1.412
   17    HB   ILE   3           HB       ILE   3   1.162   4.955   0.721
   18   1HG1  ILE   3          2HG1      ILE   3   2.799   4.396  -1.050
   19   2HG1  ILE   3          3HG1      ILE   3   1.726   5.709  -1.492
   20   1HG2  ILE   3          1HG2      ILE   3   1.978   7.145   2.063
   21   2HG2  ILE   3          2HG2      ILE   3   2.304   7.670   0.394
   22   3HG2  ILE   3          3HG2      ILE   3   0.666   7.153   0.860
   23   1HD1  ILE   3          1HD1      ILE   3   3.466   7.134  -1.764
   24   2HD1  ILE   3          2HD1      ILE   3   4.093   6.760  -0.141
   25   3HD1  ILE   3          3HD1      ILE   3   4.552   5.745  -1.529
   26    H    TYR   4           HN       TYR   4   3.874   6.780   3.172
   27    HA   TYR   4           HA       TYR   4   2.206   5.775   5.424
   28   1HB   TYR   4          1HB       TYR   4   5.107   6.668   5.489
   29   2HB   TYR   4          2HB       TYR   4   4.107   6.408   6.928
   30    HD1  TYR   4           HD1      TYR   4   3.183   4.093   7.380
   31    HD2  TYR   4           HD2      TYR   4   6.177   4.862   4.396
   32    HE1  TYR   4           HE1      TYR   4   3.789   1.688   7.366
   33    HE2  TYR   4           HE2      TYR   4   6.781   2.457   4.382
   34    HH   TYR   4           HH       TYR   4   5.277   0.116   5.124
   35    H    VAL   5           HN       VAL   5   0.637   7.389   5.566
   36    HA   VAL   5           HA       VAL   5   1.651  10.141   5.432
   37    HB   VAL   5           HB       VAL   5  -1.080   8.960   4.906
   38   1HG1  VAL   5          1HG1      VAL   5  -2.051  10.990   4.999
   39   2HG1  VAL   5          2HG1      VAL   5  -0.656  11.433   6.012
   40   3HG1  VAL   5          3HG1      VAL   5  -0.647  11.806   4.271
   41   1HG2  VAL   5          1HG2      VAL   5  -0.181   8.670   2.866
   42   2HG2  VAL   5          2HG2      VAL   5  -0.337  10.436   2.703
   43   3HG2  VAL   5          3HG2      VAL   5   1.208   9.722   3.225
   44    H    CYS   6           HN       CYS   6   1.617  11.372   7.255
   45    HA   CYS   6           HA       CYS   6   1.128  10.216   9.711
   46   1HB   CYS   6          1HB       CYS   6   2.488  12.304   9.098
   47   2HB   CYS   6          2HB       CYS   6   0.975  13.182   9.197
   48    H    THR   7           HN       THR   7  -0.682  10.270  11.136
   49    HA   THR   7           HA       THR   7  -3.196  11.054   9.830
   50    HB   THR   7           HB       THR   7  -4.199   9.368  11.335
   51    HG1  THR   7           HG1      THR   7  -2.634   9.875  13.092
   52   1HG2  THR   7          1HG2      THR   7  -2.736   7.322  10.788
   53   2HG2  THR   7          2HG2      THR   7  -3.251   8.277   9.376
   54   3HG2  THR   7          3HG2      THR   7  -1.598   8.449  10.013
   55    H    VAL   8           HN       VAL   8  -1.142  12.804  11.312
   56    HA   VAL   8           HA       VAL   8  -3.024  13.777  13.351
   57    HB   VAL   8           HB       VAL   8  -0.015  13.763  13.208
   58   1HG1  VAL   8          1HG1      VAL   8  -0.423  15.991  13.861
   59   2HG1  VAL   8          2HG1      VAL   8  -1.822  15.537  14.863
   60   3HG1  VAL   8          3HG1      VAL   8  -0.175  15.113  15.389
   61   1HG2  VAL   8          1HG2      VAL   8  -0.446  11.900  14.409
   62   2HG2  VAL   8          2HG2      VAL   8  -0.729  13.044  15.744
   63   3HG2  VAL   8          3HG2      VAL   8  -2.104  12.412  14.807
   64    H    CYS   9           HN       CYS   9  -0.512  14.760  10.922
   65    HA   CYS   9           HA       CYS   9  -1.939  17.304  10.710
   66   1HB   CYS   9          1HB       CYS   9   0.194  18.046   9.540
   67   2HB   CYS   9          2HB       CYS   9   0.251  17.814  11.276
   68    H    GLY  10           HN       GLY  10  -1.096  14.265   9.184
   69   1HA   GLY  10          HA1       GLY  10  -2.223  13.448   7.316
   70   2HA   GLY  10          HA2       GLY  10  -2.549  15.082   6.775
   71    H    TYR  11           HN       TYR  11   0.600  14.942   7.912
   72    HA   TYR  11           HA       TYR  11   1.924  15.607   5.617
   73   1HB   TYR  11          1HB       TYR  11   2.833  15.455   7.964
   74   2HB   TYR  11          2HB       TYR  11   3.021  13.711   7.715
   75    HD1  TYR  11           HD1      TYR  11   5.331  13.349   7.699
   76    HD2  TYR  11           HD2      TYR  11   3.674  16.535   5.341
   77    HE1  TYR  11           HE1      TYR  11   7.550  13.736   6.662
   78    HE2  TYR  11           HE2      TYR  11   5.894  16.921   4.304
   79    HH   TYR  11           HH       TYR  11   8.076  16.264   4.187
   80    H    GLU  12           HN       GLU  12   3.425  14.322   4.152
   81    HA   GLU  12           HA       GLU  12   2.339  11.643   3.769
   82   1HB   GLU  12          1HB       GLU  12   2.515  13.918   1.861
   83   2HB   GLU  12          2HB       GLU  12   3.086  12.390   1.220
   84   1HG   GLU  12          1HG       GLU  12   0.989  11.345   1.447
   85   2HG   GLU  12          2HG       GLU  12   0.472  12.415   2.735
   86    HE2  GLU  12           HE2      GLU  12   0.378  13.906  -1.007
   87    H    TYR  13           HN       TYR  13   3.800  10.053   3.355
   88    HA   TYR  13           HA       TYR  13   6.666  10.873   3.279
   89   1HB   TYR  13          1HB       TYR  13   5.831   9.739   5.374
   90   2HB   TYR  13          2HB       TYR  13   5.482   8.310   4.387
   91    HD1  TYR  13           HD1      TYR  13   7.078   6.640   4.328
   92    HD2  TYR  13           HD2      TYR  13   8.326  10.691   5.020
   93    HE1  TYR  13           HE1      TYR  13   9.418   5.870   4.611
   94    HE2  TYR  13           HE2      TYR  13  10.667   9.922   5.302
   95    HH   TYR  13           HH       TYR  13  11.771   7.430   6.045
   96    H    ASP  14           HN       ASP  14   8.127   9.502   1.970
   97    HA   ASP  14           HA       ASP  14   6.660   7.828   0.103
   98   1HB   ASP  14          1HB       ASP  14   7.341  10.249  -0.727
   99   2HB   ASP  14          2HB       ASP  14   8.961   9.584  -0.809
  100    HD2  ASP  14           HD2      ASP  14   6.384  10.117  -2.723
  101    HA   PRO  15           HA       PRO  15   9.905   5.369   2.288
  102   1HB   PRO  15          1HB       PRO  15   8.622   3.531   0.218
  103   2HB   PRO  15          2HB       PRO  15   9.165   3.193   1.894
  104   1HG   PRO  15          1HG       PRO  15   6.501   3.766   1.406
  105   2HG   PRO  15          2HG       PRO  15   7.377   4.278   2.885
  106   1HD   PRO  15          HD2       PRO  15   6.489   5.871   0.478
  107   2HD   PRO  15          HD3       PRO  15   6.764   6.416   2.161
  108    H    ALA  16           HN       ALA  16  12.063   5.392   1.651
  109    HA   ALA  16           HA       ALA  16  13.117   4.383  -0.588
  110   1HB   ALA  16          1HB       ALA  16  11.785   6.974  -1.159
  111   2HB   ALA  16          2HB       ALA  16  13.447   6.821  -1.775
  112   3HB   ALA  16          3HB       ALA  16  12.208   5.638  -2.256
  113    H    PHE  17           HN       PHE  17  13.014   7.022   1.778
  114    HA   PHE  17           HA       PHE  17  15.597   7.939   1.621
  115   1HB   PHE  17          1HB       PHE  17  13.778   7.363   4.038
  116   2HB   PHE  17          2HB       PHE  17  15.166   8.431   4.102
  117    HD1  PHE  17           HD1      PHE  17  12.846   9.648   4.999
  118    HD2  PHE  17           HD2      PHE  17  13.987   9.022   0.960
  119    HE1  PHE  17           HE1      PHE  17  11.398  11.572   4.292
  120    HE2  PHE  17           HE2      PHE  17  12.539  10.946   0.254
  121    HZ   PHE  17           HZ       PHE  17  11.262  12.198   1.927
  122    H    GLU  18           HN       GLU  18  16.998   7.569   3.931
  123    HA   GLU  18           HA       GLU  18  17.409   4.685   4.031
  124   1HB   GLU  18          1HB       GLU  18  19.121   6.032   2.618
  125   2HB   GLU  18          2HB       GLU  18  19.690   6.691   4.140
  126   1HG   GLU  18          1HG       GLU  18  21.088   4.838   3.975
  127   2HG   GLU  18          2HG       GLU  18  19.766   4.127   4.879
  128    HE2  GLU  18           HE2      GLU  18  21.484   4.042   2.082
  129    H    ASP  19           HN       ASP  19  18.335   7.839   5.598
  130    HA   ASP  19           HA       ASP  19  19.009   6.799   8.021
  131   1HB   ASP  19          1HB       ASP  19  18.187   9.423   6.933
  132   2HB   ASP  19          2HB       ASP  19  17.771   9.247   8.626
  133    HD2  ASP  19           HD2      ASP  19  20.961  10.106   9.515
  134    H    LEU  20           HN       LEU  20  17.557   5.202   8.857
  135    HA   LEU  20           HA       LEU  20  14.927   6.245   9.625
  136   1HB   LEU  20          1HB       LEU  20  15.203   4.490   7.596
  137   2HB   LEU  20          2HB       LEU  20  15.125   3.371   8.942
  138    HG   LEU  20           HG       LEU  20  12.931   3.714   7.940
  139   1HD1  LEU  20          1HD1      LEU  20  13.092   3.206  10.340
  140   2HD1  LEU  20          2HD1      LEU  20  13.086   4.948  10.703
  141   3HD1  LEU  20          3HD1      LEU  20  11.660   4.189   9.956
  142   1HD2  LEU  20          1HD2      LEU  20  12.625   6.492   8.916
  143   2HD2  LEU  20          2HD2      LEU  20  13.662   6.278   7.485
  144   3HD2  LEU  20          3HD2      LEU  20  11.978   5.700   7.459
  145    HA   PRO  21           HA       PRO  21  17.157   4.709  13.290
  146   1HB   PRO  21          1HB       PRO  21  16.773   6.896  14.852
  147   2HB   PRO  21          2HB       PRO  21  17.990   6.893  13.533
  148   1HG   PRO  21          1HG       PRO  21  15.285   8.060  13.495
  149   2HG   PRO  21          2HG       PRO  21  16.822   8.738  12.863
  150   1HD   PRO  21          HD2       PRO  21  14.875   7.429  11.314
  151   2HD   PRO  21          HD3       PRO  21  16.607   7.529  10.872
  152    H    ASP  22           HN       ASP  22  16.195   4.556  15.663
  153    HA   ASP  22           HA       ASP  22  13.432   3.833  15.278
  154   1HB   ASP  22          1HB       ASP  22  13.818   2.939  17.719
  155   2HB   ASP  22          2HB       ASP  22  14.564   2.095  16.376
  156    HD2  ASP  22           HD2      ASP  22  16.803   3.748  19.180
  157    H    ASP  23           HN       ASP  23  13.509   6.542  15.198
  158    HA   ASP  23           HA       ASP  23  11.999   7.320  17.368
  159   1HB   ASP  23          1HB       ASP  23  13.674   9.150  18.185
  160   2HB   ASP  23          2HB       ASP  23  13.870   7.518  18.791
  161    HD2  ASP  23           HD2      ASP  23  16.279   7.053  18.678
  162    H    TRP  24           HN       TRP  24  11.407   7.547  14.770
  163    HA   TRP  24           HA       TRP  24  12.340  10.139  13.800
  164   1HB   TRP  24          1HB       TRP  24  12.288   7.951  12.419
  165   2HB   TRP  24          2HB       TRP  24  10.562   8.232  12.308
  166    HD1  TRP  24           HD1      TRP  24  13.607  10.653  11.797
  167    HE1  TRP  24           HE1      TRP  24  13.335  12.003   9.547
  168    HE3  TRP  24           HE3      TRP  24   9.221   8.483  10.416
  169    HZ2  TRP  24           HZ2      TRP  24  11.359  12.012   7.487
  170    HZ3  TRP  24           HZ3      TRP  24   8.186   9.220   8.270
  171    HH2  TRP  24           HH2      TRP  24   9.184  10.920   6.825
  172    H    ALA  25           HN       ALA  25  10.959  11.918  13.677
  173    HA   ALA  25           HA       ALA  25   8.178  11.440  14.490
  174   1HB   ALA  25          1HB       ALA  25   9.022  14.019  15.375
  175   2HB   ALA  25          2HB       ALA  25   8.538  12.621  16.365
  176   3HB   ALA  25          3HB       ALA  25  10.246  12.846  15.916
  177    H    CYS  26           HN       CYS  26   6.627  12.633  13.364
  178    HA   CYS  26           HA       CYS  26   7.151  13.372  10.813
  179   1HB   CYS  26          1HB       CYS  26   4.916  13.040  12.049
  180   2HB   CYS  26          2HB       CYS  26   5.022  14.743  12.445
  181    HA   PRO  27           HA       PRO  27   9.935  16.824  11.555
  182   1HB   PRO  27          1HB       PRO  27   9.279  17.031   8.590
  183   2HB   PRO  27          2HB       PRO  27  10.848  17.173   9.448
  184   1HG   PRO  27          1HG       PRO  27  10.260  14.719   8.248
  185   2HG   PRO  27          2HG       PRO  27  11.001  14.938   9.868
  186   1HD   PRO  27          HD2       PRO  27   8.077  14.421   9.102
  187   2HD   PRO  27          HD3       PRO  27   9.071  13.592  10.339
  188    H    VAL  28           HN       VAL  28   6.614  16.751  10.324
  189    HA   VAL  28           HA       VAL  28   6.462  19.634  10.211
  190    HB   VAL  28           HB       VAL  28   4.429  17.425   9.857
  191   1HG1  VAL  28          1HG1      VAL  28   3.282  19.567   8.673
  192   2HG1  VAL  28          2HG1      VAL  28   2.963  19.086  10.357
  193   3HG1  VAL  28          3HG1      VAL  28   4.136  20.378  10.008
  194   1HG2  VAL  28          1HG2      VAL  28   4.562  18.436   7.439
  195   2HG2  VAL  28          2HG2      VAL  28   6.153  19.021   7.982
  196   3HG2  VAL  28          3HG2      VAL  28   5.795  17.277   7.993
  197    H    CYS  29           HN       CYS  29   3.967  17.565  11.714
  198    HA   CYS  29           HA       CYS  29   3.540  19.345  13.788
  199   1HB   CYS  29          1HB       CYS  29   2.245  17.497  14.827
  200   2HB   CYS  29          2HB       CYS  29   1.812  17.852  13.166
  201    H    GLY  30           HN       GLY  30   5.441  16.264  13.581
  202   1HA   GLY  30          HA1       GLY  30   7.579  16.231  14.710
  203   2HA   GLY  30          HA2       GLY  30   6.844  17.083  16.053
  204    H    ALA  31           HN       ALA  31   4.292  15.287  15.405
  205    HA   ALA  31           HA       ALA  31   4.512  13.553  17.486
  206   1HB   ALA  31          1HB       ALA  31   2.977  12.632  15.092
  207   2HB   ALA  31          2HB       ALA  31   2.459  12.803  16.788
  208   3HB   ALA  31          3HB       ALA  31   2.573  14.239  15.741
  209    H    SER  32           HN       SER  32   4.656  11.119  17.485
  210    HA   SER  32           HA       SER  32   7.082  10.385  16.297
  211   1HB   SER  32          1HB       SER  32   6.644   8.171  17.315
  212   2HB   SER  32          2HB       SER  32   6.336   9.465  18.454
  213    HG   SER  32           HG       SER  32   3.997   9.144  17.299
  214    H    LYS  33           HN       LYS  33   7.133   8.050  15.113
  215    HA   LYS  33           HA       LYS  33   5.475   8.413  12.763
  216   1HB   LYS  33          1HB       LYS  33   7.073   7.223  11.610
  217   2HB   LYS  33          2HB       LYS  33   8.048   7.983  12.852
  218   1HG   LYS  33          1HG       LYS  33   6.989   5.120  12.856
  219   2HG   LYS  33          2HG       LYS  33   8.662   5.619  12.706
  220   1HD   LYS  33          HD2       LYS  33   8.543   6.633  15.009
  221   2HD   LYS  33          HD3       LYS  33   6.890   6.067  15.156
  222   1HE   LYS  33          2HE       LYS  33   8.886   3.984  14.362
  223   2HE   LYS  33          3HE       LYS  33   9.081   4.628  15.979
  224   1HZ   LYS  33          HZ1       LYS  33   6.416   3.753  15.054
  225   2HZ   LYS  33          HZ2       LYS  33   7.473   2.667  15.650
  226    H    ASP  34           HN       ASP  34   4.626   7.329  15.587
  227    HA   ASP  34           HA       ASP  34   3.879   4.657  14.905
  228   1HB   ASP  34          1HB       ASP  34   2.973   4.550  17.145
  229   2HB   ASP  34          2HB       ASP  34   4.500   5.405  17.244
  230    HD2  ASP  34           HD2      ASP  34   1.506   6.535  18.969
  231    H    ALA  35           HN       ALA  35   2.629   7.938  14.722
  232    HA   ALA  35           HA       ALA  35  -0.139   7.151  14.643
  233   1HB   ALA  35          1HB       ALA  35  -0.275   9.668  13.910
  234   2HB   ALA  35          2HB       ALA  35   0.177   9.268  15.584
  235   3HB   ALA  35          3HB       ALA  35   1.433   9.716  14.406
  236    H    PHE  36           HN       PHE  36   2.494   6.900  12.540
  237    HA   PHE  36           HA       PHE  36   1.072   7.599  10.142
  238   1HB   PHE  36          1HB       PHE  36   3.752   6.342  10.931
  239   2HB   PHE  36          2HB       PHE  36   3.271   6.386   9.246
  240    HD1  PHE  36           HD1      PHE  36   3.072   8.877  12.030
  241    HD2  PHE  36           HD2      PHE  36   4.452   8.001   8.114
  242    HE1  PHE  36           HE1      PHE  36   3.985  11.206  11.830
  243    HE2  PHE  36           HE2      PHE  36   5.366  10.330   7.915
  244    HZ   PHE  36           HZ       PHE  36   5.122  11.905   9.776
  245    H    GLU  37           HN       GLU  37   0.110   6.207   8.663
  246    HA   GLU  37           HA       GLU  37   0.478   3.392   8.999
  247   1HB   GLU  37          1HB       GLU  37  -1.509   4.384  10.533
  248   2HB   GLU  37          2HB       GLU  37  -2.406   4.238   9.035
  249   1HG   GLU  37          1HG       GLU  37  -2.287   1.918   9.015
  250   2HG   GLU  37          2HG       GLU  37  -0.716   1.879   9.790
  251    HE2  GLU  37           HE2      GLU  37  -2.458   0.895  12.621
  252    H    LYS  38           HN       LYS  38  -0.392   2.158   7.147
  253    HA   LYS  38           HA       LYS  38   0.073   3.277   4.733
  254   1HB   LYS  38          1HB       LYS  38  -0.107   0.886   5.085
  255   2HB   LYS  38          2HB       LYS  38  -1.817   1.016   5.442
  256   1HG   LYS  38          1HG       LYS  38  -2.252   1.866   3.141
  257   2HG   LYS  38          2HG       LYS  38  -0.539   1.796   2.778
  258   1HD   LYS  38          HD2       LYS  38  -0.529  -0.656   3.098
  259   2HD   LYS  38          HD3       LYS  38  -2.207  -0.628   3.601
  260   1HE   LYS  38          2HE       LYS  38  -2.618  -1.087   1.388
  261   2HE   LYS  38          3HE       LYS  38  -2.443   0.646   1.191
  262   1HZ   LYS  38          HZ1       LYS  38  -0.885  -1.256  -0.017
  263   2HZ   LYS  38          HZ2       LYS  38  -0.543   0.335   0.045
  264    H    GLN  39           HN       GLN  39  -1.081   4.364   3.120
  265    HA   GLN  39           HA       GLN  39  -3.855   4.865   3.532
  266   1HB   GLN  39          1HB       GLN  39  -2.240   6.630   4.835
  267   2HB   GLN  39          2HB       GLN  39  -2.291   7.403   3.262
  268   1HG   GLN  39          1HG       GLN  39  -4.330   8.246   3.775
  269   2HG   GLN  39          2HG       GLN  39  -4.973   6.615   3.799
  270   1HE2  GLN  39          1HE2      GLN  39  -6.339   7.933   5.384
  271   2HE2  GLN  39          2HE2      GLN  39  -5.894   7.847   7.056
  Start of MODEL    5
    1   1H    MET   1           HN       MET   1   5.995  -1.559   2.297
    2    HA   MET   1           HA       MET   1   6.141   0.580   2.698
    3   1HB   MET   1          1HB       MET   1   9.003   0.280   1.632
    4   2HB   MET   1          2HB       MET   1   8.394   1.772   2.322
    5   1HG   MET   1          1HG       MET   1   9.039   0.973   4.353
    6   2HG   MET   1          2HG       MET   1   7.700  -0.151   4.249
    7   1HE   MET   1          1HE       MET   1  11.768  -1.003   4.922
    8   2HE   MET   1          2HE       MET   1  11.911  -0.208   3.336
    9   3HE   MET   1          3HE       MET   1  11.004   0.581   4.647
   10    H    ASP   2           HN       ASP   2   4.830   1.817   1.430
   11    HA   ASP   2           HA       ASP   2   5.713   2.196  -1.323
   12   1HB   ASP   2          1HB       ASP   2   3.532   0.818  -0.813
   13   2HB   ASP   2          2HB       ASP   2   2.819   2.367  -0.409
   14    HD2  ASP   2           HD2      ASP   2   1.887   2.571  -3.698
   15    H    ILE   3           HN       ILE   3   3.450   3.510   1.227
   16    HA   ILE   3           HA       ILE   3   4.686   6.108   0.971
   17    HB   ILE   3           HB       ILE   3   1.905   5.502   0.040
   18   1HG1  ILE   3          2HG1      ILE   3   4.169   7.222  -1.010
   19   2HG1  ILE   3          3HG1      ILE   3   3.645   5.675  -1.645
   20   1HG2  ILE   3          1HG2      ILE   3   1.272   7.104   1.565
   21   2HG2  ILE   3          2HG2      ILE   3   2.830   7.962   1.483
   22   3HG2  ILE   3          3HG2      ILE   3   1.662   8.108   0.148
   23   1HD1  ILE   3          1HD1      ILE   3   2.451   8.366  -2.005
   24   2HD1  ILE   3          2HD1      ILE   3   2.352   6.929  -3.050
   25   3HD1  ILE   3          3HD1      ILE   3   1.265   7.087  -1.649
   26    H    TYR   4           HN       TYR   4   4.469   7.328   2.796
   27    HA   TYR   4           HA       TYR   4   2.927   6.093   5.026
   28   1HB   TYR   4          1HB       TYR   4   5.749   7.190   4.972
   29   2HB   TYR   4          2HB       TYR   4   4.830   7.000   6.477
   30    HD1  TYR   4           HD1      TYR   4   3.807   4.616   6.898
   31    HD2  TYR   4           HD2      TYR   4   7.053   5.425   4.204
   32    HE1  TYR   4           HE1      TYR   4   4.507   2.240   7.027
   33    HE2  TYR   4           HE2      TYR   4   7.753   3.050   4.333
   34    HH   TYR   4           HH       TYR   4   6.559   0.842   6.657
   35    H    VAL   5           HN       VAL   5   1.179   7.525   5.183
   36    HA   VAL   5           HA       VAL   5   1.908  10.370   5.234
   37    HB   VAL   5           HB       VAL   5  -0.778   9.085   4.705
   38   1HG1  VAL   5          1HG1      VAL   5  -0.078  11.891   3.922
   39   2HG1  VAL   5          2HG1      VAL   5  -1.651  11.182   4.360
   40   3HG1  VAL   5          3HG1      VAL   5  -0.457  11.551   5.628
   41   1HG2  VAL   5          1HG2      VAL   5   0.357   8.476   2.795
   42   2HG2  VAL   5          2HG2      VAL   5  -0.206  10.100   2.330
   43   3HG2  VAL   5          3HG2      VAL   5   1.471   9.863   2.879
   44    H    CYS   6           HN       CYS   6   1.646  11.505   7.107
   45    HA   CYS   6           HA       CYS   6   1.147  10.096   9.469
   46   1HB   CYS   6          1HB       CYS   6   2.532  12.200   9.143
   47   2HB   CYS   6          2HB       CYS   6   1.025  13.094   9.128
   48    H    THR   7           HN       THR   7  -0.705  10.214  10.908
   49    HA   THR   7           HA       THR   7  -3.177  10.975   9.501
   50    HB   THR   7           HB       THR   7  -4.220   9.242  10.964
   51    HG1  THR   7           HG1      THR   7  -2.618   9.632  12.717
   52   1HG2  THR   7          1HG2      THR   7  -2.682   7.229  10.305
   53   2HG2  THR   7          2HG2      THR   7  -3.388   8.181   8.978
   54   3HG2  THR   7          3HG2      THR   7  -1.694   8.441   9.455
   55    H    VAL   8           HN       VAL   8  -1.143  12.597  11.238
   56    HA   VAL   8           HA       VAL   8  -3.137  13.505  13.196
   57    HB   VAL   8           HB       VAL   8  -0.119  13.614  13.172
   58   1HG1  VAL   8          1HG1      VAL   8  -1.177  14.549  15.651
   59   2HG1  VAL   8          2HG1      VAL   8  -0.162  15.421  14.476
   60   3HG1  VAL   8          3HG1      VAL   8  -1.936  15.488  14.343
   61   1HG2  VAL   8          1HG2      VAL   8  -1.333  11.491  13.881
   62   2HG2  VAL   8          2HG2      VAL   8  -0.203  12.188  15.066
   63   3HG2  VAL   8          3HG2      VAL   8  -1.957  12.423  15.262
   64    H    CYS   9           HN       CYS   9  -0.568  14.587  10.875
   65    HA   CYS   9           HA       CYS   9  -1.975  17.148  10.752
   66   1HB   CYS   9          1HB       CYS   9   0.179  17.927   9.649
   67   2HB   CYS   9          2HB       CYS   9   0.211  17.613  11.373
   68    H    GLY  10           HN       GLY  10  -1.033  14.195   9.076
   69   1HA   GLY  10          HA1       GLY  10  -2.068  13.421   7.155
   70   2HA   GLY  10          HA2       GLY  10  -2.550  15.051   6.731
   71    H    TYR  11           HN       TYR  11   0.679  14.780   7.855
   72    HA   TYR  11           HA       TYR  11   1.884  15.811   5.554
   73   1HB   TYR  11          1HB       TYR  11   2.861  15.705   7.847
   74   2HB   TYR  11          2HB       TYR  11   3.120  13.966   7.625
   75    HD1  TYR  11           HD1      TYR  11   5.370  13.507   7.359
   76    HD2  TYR  11           HD2      TYR  11   3.707  16.968   5.434
   77    HE1  TYR  11           HE1      TYR  11   7.562  13.968   6.295
   78    HE2  TYR  11           HE2      TYR  11   5.899  17.429   4.370
   79    HH   TYR  11           HH       TYR  11   8.079  16.785   4.154
   80    H    GLU  12           HN       GLU  12   3.445  14.727   4.009
   81    HA   GLU  12           HA       GLU  12   2.611  11.972   3.551
   82   1HB   GLU  12          1HB       GLU  12   2.534  14.317   1.725
   83   2HB   GLU  12          2HB       GLU  12   3.233  12.874   1.019
   84   1HG   GLU  12          1HG       GLU  12   1.126  11.653   2.062
   85   2HG   GLU  12          2HG       GLU  12   0.442  13.265   2.138
   86    HE2  GLU  12           HE2      GLU  12  -0.420  11.195   0.514
   87    H    TYR  13           HN       TYR  13   4.216  10.544   3.216
   88    HA   TYR  13           HA       TYR  13   6.987  11.633   3.058
   89   1HB   TYR  13          1HB       TYR  13   6.413  10.436   5.150
   90   2HB   TYR  13          2HB       TYR  13   5.978   9.005   4.199
   91    HD1  TYR  13           HD1      TYR  13   7.567   7.342   3.944
   92    HD2  TYR  13           HD2      TYR  13   8.863  11.378   4.642
   93    HE1  TYR  13           HE1      TYR  13   9.923   6.571   4.025
   94    HE2  TYR  13           HE2      TYR  13  11.219  10.607   4.723
   95    HH   TYR  13           HH       TYR  13  12.643   8.784   4.134
   96    H    ASP  14           HN       ASP  14   8.574  10.272   1.797
   97    HA   ASP  14           HA       ASP  14   7.184   8.657  -0.183
   98   1HB   ASP  14          1HB       ASP  14   7.927  11.092  -0.895
   99   2HB   ASP  14          2HB       ASP  14   9.546  10.420  -0.911
  100    HD2  ASP  14           HD2      ASP  14   9.502  10.641  -3.476
  101    HA   PRO  15           HA       PRO  15  10.253   6.022   2.021
  102   1HB   PRO  15          1HB       PRO  15   9.129   4.352  -0.273
  103   2HB   PRO  15          2HB       PRO  15   9.541   3.885   1.410
  104   1HG   PRO  15          1HG       PRO  15   7.052   4.492   0.647
  105   2HG   PRO  15          2HG       PRO  15   7.498   4.908   2.334
  106   1HD   PRO  15          HD2       PRO  15   6.991   6.675  -0.007
  107   2HD   PRO  15          HD3       PRO  15   7.133   7.113   1.723
  108    H    ALA  16           HN       ALA  16  12.197   7.163   1.363
  109    HA   ALA  16           HA       ALA  16  13.675   5.901  -0.630
  110   1HB   ALA  16          1HB       ALA  16  13.791   7.707  -2.315
  111   2HB   ALA  16          2HB       ALA  16  12.144   7.044  -2.186
  112   3HB   ALA  16          3HB       ALA  16  12.535   8.609  -1.434
  113    H    PHE  17           HN       PHE  17  14.695   6.020   1.626
  114    HA   PHE  17           HA       PHE  17  16.529   8.258   1.593
  115   1HB   PHE  17          1HB       PHE  17  14.417   7.606   3.678
  116   2HB   PHE  17          2HB       PHE  17  15.967   8.168   4.269
  117    HD1  PHE  17           HD1      PHE  17  13.210   9.090   1.952
  118    HD2  PHE  17           HD2      PHE  17  16.437  10.454   4.346
  119    HE1  PHE  17           HE1      PHE  17  12.502  11.465   1.554
  120    HE2  PHE  17           HE2      PHE  17  15.728  12.829   3.949
  121    HZ   PHE  17           HZ       PHE  17  13.769  13.306   2.557
  122    H    GLU  18           HN       GLU  18  17.866   7.825   3.976
  123    HA   GLU  18           HA       GLU  18  18.409   4.977   4.015
  124   1HB   GLU  18          1HB       GLU  18  20.042   5.912   2.435
  125   2HB   GLU  18          2HB       GLU  18  20.509   7.146   3.589
  126   1HG   GLU  18          1HG       GLU  18  20.805   4.752   5.037
  127   2HG   GLU  18          2HG       GLU  18  21.349   4.323   3.428
  128    HE2  GLU  18           HE2      GLU  18  22.190   6.987   5.850
  129    H    ASP  19           HN       ASP  19  16.914   5.936   5.973
  130    HA   ASP  19           HA       ASP  19  18.432   5.569   8.234
  131   1HB   ASP  19          1HB       ASP  19  18.629   8.231   7.283
  132   2HB   ASP  19          2HB       ASP  19  17.457   8.318   8.583
  133    HD2  ASP  19           HD2      ASP  19  18.286   6.916  10.457
  134    H    LEU  20           HN       LEU  20  16.617   4.223   8.766
  135    HA   LEU  20           HA       LEU  20  14.214   5.705   9.519
  136   1HB   LEU  20          1HB       LEU  20  14.106   4.502   7.216
  137   2HB   LEU  20          2HB       LEU  20  13.995   3.035   8.168
  138    HG   LEU  20           HG       LEU  20  12.107   5.354   8.596
  139   1HD1  LEU  20          1HD1      LEU  20  12.124   3.324   6.418
  140   2HD1  LEU  20          2HD1      LEU  20  10.563   3.695   7.189
  141   3HD1  LEU  20          3HD1      LEU  20  11.513   4.995   6.433
  142   1HD2  LEU  20          1HD2      LEU  20  10.687   3.178   9.219
  143   2HD2  LEU  20          2HD2      LEU  20  12.317   2.546   9.555
  144   3HD2  LEU  20          3HD2      LEU  20  11.742   4.010  10.388
  145    HA   PRO  21           HA       PRO  21  15.658   3.073  12.933
  146   1HB   PRO  21          1HB       PRO  21  15.691   5.001  14.848
  147   2HB   PRO  21          2HB       PRO  21  16.985   4.885  13.611
  148   1HG   PRO  21          1HG       PRO  21  14.657   6.756  13.676
  149   2HG   PRO  21          2HG       PRO  21  16.368   7.044  13.218
  150   1HD   PRO  21          HD2       PRO  21  14.216   6.552  11.434
  151   2HD   PRO  21          HD3       PRO  21  15.948   6.343  11.038
  152    H    ASP  22           HN       ASP  22  14.503   2.927  15.277
  153    HA   ASP  22           HA       ASP  22  11.699   2.875  14.626
  154   1HB   ASP  22          1HB       ASP  22  11.643   1.696  16.962
  155   2HB   ASP  22          2HB       ASP  22  12.357   0.840  15.610
  156    HD2  ASP  22           HD2      ASP  22  15.326   0.440  17.058
  157    H    ASP  23           HN       ASP  23  12.265   5.488  14.818
  158    HA   ASP  23           HA       ASP  23  10.819   6.356  17.007
  159   1HB   ASP  23          1HB       ASP  23  13.278   5.802  17.923
  160   2HB   ASP  23          2HB       ASP  23  13.664   7.356  17.213
  161    HD2  ASP  23           HD2      ASP  23  13.618   8.600  19.704
  162    H    TRP  24           HN       TRP  24  10.258   6.955  14.516
  163    HA   TRP  24           HA       TRP  24  11.716   9.369  13.733
  164   1HB   TRP  24          1HB       TRP  24  11.292   7.358  12.172
  165   2HB   TRP  24          2HB       TRP  24   9.641   7.940  12.091
  166    HD1  TRP  24           HD1      TRP  24  13.016   9.922  11.833
  167    HE1  TRP  24           HE1      TRP  24  13.022  11.446   9.680
  168    HE3  TRP  24           HE3      TRP  24   8.452   8.451  10.142
  169    HZ2  TRP  24           HZ2      TRP  24  11.158  11.855   7.557
  170    HZ3  TRP  24           HZ3      TRP  24   7.619   9.462   8.021
  171    HH2  TRP  24           HH2      TRP  24   8.893  11.109   6.740
  172    H    ALA  25           HN       ALA  25  10.662  11.379  13.654
  173    HA   ALA  25           HA       ALA  25   7.864  11.361  14.556
  174   1HB   ALA  25          1HB       ALA  25   8.995  12.089  16.470
  175   2HB   ALA  25          2HB       ALA  25  10.251  12.930  15.532
  176   3HB   ALA  25          3HB       ALA  25   8.617  13.622  15.651
  177    H    CYS  26           HN       CYS  26   6.471  12.725  13.445
  178    HA   CYS  26           HA       CYS  26   7.102  13.440  10.884
  179   1HB   CYS  26          1HB       CYS  26   4.829  13.309  12.247
  180   2HB   CYS  26          2HB       CYS  26   5.061  15.041  12.365
  181    HA   PRO  27           HA       PRO  27   9.629  17.033  11.470
  182   1HB   PRO  27          1HB       PRO  27   9.743  17.881   8.901
  183   2HB   PRO  27          2HB       PRO  27  10.459  16.310   9.390
  184   1HG   PRO  27          1HG       PRO  27   7.536  16.567   8.081
  185   2HG   PRO  27          2HG       PRO  27   9.047  15.685   7.690
  186   1HD   PRO  27          HD2       PRO  27   7.024  14.686   9.332
  187   2HD   PRO  27          HD3       PRO  27   8.745  14.229   9.507
  188    H    VAL  28           HN       VAL  28   6.269  16.947  10.968
  189    HA   VAL  28           HA       VAL  28   6.172  19.882  10.862
  190    HB   VAL  28           HB       VAL  28   4.083  17.852  10.049
  191   1HG1  VAL  28          1HG1      VAL  28   3.742  20.510  10.838
  192   2HG1  VAL  28          2HG1      VAL  28   3.735  20.569   9.060
  193   3HG1  VAL  28          3HG1      VAL  28   2.590  19.512   9.920
  194   1HG2  VAL  28          1HG2      VAL  28   5.264  17.684   8.154
  195   2HG2  VAL  28          2HG2      VAL  28   4.781  19.364   7.818
  196   3HG2  VAL  28          3HG2      VAL  28   6.338  19.027   8.612
  197    H    CYS  29           HN       CYS  29   3.499  17.707  11.759
  198    HA   CYS  29           HA       CYS  29   2.720  19.070  13.944
  199   1HB   CYS  29          1HB       CYS  29   1.609  17.030  14.704
  200   2HB   CYS  29          2HB       CYS  29   1.391  17.313  12.989
  201    H    GLY  30           HN       GLY  30   5.196  16.443  13.709
  202   1HA   GLY  30          HA1       GLY  30   7.095  16.261  14.992
  203   2HA   GLY  30          HA2       GLY  30   6.471  17.447  16.123
  204    H    ALA  31           HN       ALA  31   4.599  14.619  14.948
  205    HA   ALA  31           HA       ALA  31   4.422  13.716  17.713
  206   1HB   ALA  31          1HB       ALA  31   2.476  14.129  15.936
  207   2HB   ALA  31          2HB       ALA  31   2.899  12.472  15.443
  208   3HB   ALA  31          3HB       ALA  31   2.385  12.800  17.116
  209    H    SER  32           HN       SER  32   4.500  11.288  18.087
  210    HA   SER  32           HA       SER  32   6.946  10.354  17.093
  211   1HB   SER  32          1HB       SER  32   6.392   8.291  18.397
  212   2HB   SER  32          2HB       SER  32   6.204   9.761  19.335
  213    HG   SER  32           HG       SER  32   4.029   9.527  19.381
  214    H    LYS  33           HN       LYS  33   7.325   8.365  15.820
  215    HA   LYS  33           HA       LYS  33   6.100   8.244  13.444
  216   1HB   LYS  33          1HB       LYS  33   8.158   7.058  13.982
  217   2HB   LYS  33          2HB       LYS  33   7.291   5.940  15.016
  218   1HG   LYS  33          1HG       LYS  33   6.151   6.147  12.282
  219   2HG   LYS  33          2HG       LYS  33   7.802   5.562  12.305
  220   1HD   LYS  33          HD2       LYS  33   7.017   3.929  14.179
  221   2HD   LYS  33          HD3       LYS  33   5.385   4.368  13.718
  222   1HE   LYS  33          2HE       LYS  33   5.905   3.680  11.342
  223   2HE   LYS  33          3HE       LYS  33   7.498   3.167  11.864
  224   1HZ   LYS  33          HZ1       LYS  33   6.093   1.260  11.923
  225   2HZ   LYS  33          HZ2       LYS  33   6.302   1.666  13.486
  226    H    ASP  34           HN       ASP  34   5.152   6.317  16.367
  227    HA   ASP  34           HA       ASP  34   3.184   4.849  15.329
  228   1HB   ASP  34          1HB       ASP  34   2.000   5.548  17.684
  229   2HB   ASP  34          2HB       ASP  34   3.335   4.417  17.576
  230    HD2  ASP  34           HD2      ASP  34   3.870   7.269  19.978
  231    H    ALA  35           HN       ALA  35   1.889   5.832  13.679
  232    HA   ALA  35           HA       ALA  35  -0.437   7.011  14.227
  233   1HB   ALA  35          1HB       ALA  35   0.086   9.024  15.131
  234   2HB   ALA  35          2HB       ALA  35   1.763   8.960  14.539
  235   3HB   ALA  35          3HB       ALA  35   0.458   9.504  13.458
  236    H    PHE  36           HN       PHE  36   2.453   6.841  12.189
  237    HA   PHE  36           HA       PHE  36   1.102   7.634   9.809
  238   1HB   PHE  36          1HB       PHE  36   3.735   6.301  10.613
  239   2HB   PHE  36          2HB       PHE  36   3.317   6.424   8.916
  240    HD1  PHE  36           HD1      PHE  36   3.622   8.559  11.960
  241    HD2  PHE  36           HD2      PHE  36   3.966   8.307   7.738
  242    HE1  PHE  36           HE1      PHE  36   4.561  10.886  11.897
  243    HE2  PHE  36           HE2      PHE  36   4.906  10.634   7.675
  244    HZ   PHE  36           HZ       PHE  36   5.192  11.895   9.756
  245    H    GLU  37           HN       GLU  37   0.262   6.350   8.140
  246    HA   GLU  37           HA       GLU  37   0.437   3.491   8.491
  247   1HB   GLU  37          1HB       GLU  37  -1.798   4.817   9.456
  248   2HB   GLU  37          2HB       GLU  37  -2.313   4.391   7.837
  249   1HG   GLU  37          1HG       GLU  37  -2.660   2.253   8.499
  250   2HG   GLU  37          2HG       GLU  37  -0.962   2.094   8.902
  251    HE2  GLU  37           HE2      GLU  37  -4.088   2.616  10.429
  252    H    LYS  38           HN       LYS  38   0.050   2.301   6.505
  253    HA   LYS  38           HA       LYS  38   0.952   3.546   4.228
  254   1HB   LYS  38          1HB       LYS  38   1.048   1.142   4.576
  255   2HB   LYS  38          2HB       LYS  38  -0.700   1.024   4.548
  256   1HG   LYS  38          1HG       LYS  38  -0.234   2.341   2.165
  257   2HG   LYS  38          2HG       LYS  38   1.213   1.359   2.285
  258   1HD   LYS  38          HD2       LYS  38  -0.265  -0.667   2.700
  259   2HD   LYS  38          HD3       LYS  38  -1.667   0.347   2.419
  260   1HE   LYS  38          2HE       LYS  38   0.053   0.848   0.212
  261   2HE   LYS  38          3HE       LYS  38   0.141  -0.883   0.470
  262   1HZ   LYS  38          HZ1       LYS  38  -2.552  -0.025   0.691
  263   2HZ   LYS  38          HZ2       LYS  38  -1.943   0.503  -0.725
  264    H    GLN  39           HN       GLN  39   0.010   4.527   2.433
  265    HA   GLN  39           HA       GLN  39  -2.871   4.712   2.435
  266   1HB   GLN  39          1HB       GLN  39  -1.961   6.690   3.732
  267   2HB   GLN  39          2HB       GLN  39  -1.105   7.193   2.289
  268   1HG   GLN  39          1HG       GLN  39  -3.822   6.682   1.507
  269   2HG   GLN  39          2HG       GLN  39  -3.888   7.621   2.985
  270   1HE2  GLN  39          1HE2      GLN  39  -4.842   9.184   1.472
  271   2HE2  GLN  39          2HE2      GLN  39  -3.806  10.283   0.624
  Start of MODEL    6
    1   1H    MET   1           HN       MET   1  -0.374  -0.215  -0.777
    2    HA   MET   1           HA       MET   1   1.556   0.909  -2.653
    3   1HB   MET   1          1HB       MET   1  -0.686   2.273  -1.076
    4   2HB   MET   1          2HB       MET   1   0.658   3.189  -1.729
    5   1HG   MET   1          1HG       MET   1  -0.949   1.332  -3.521
    6   2HG   MET   1          2HG       MET   1  -1.530   2.947  -3.171
    7   1HE   MET   1          1HE       MET   1  -0.244   3.479  -6.677
    8   2HE   MET   1          2HE       MET   1  -0.252   1.732  -6.338
    9   3HE   MET   1          3HE       MET   1  -1.546   2.770  -5.691
   10    H    ASP   2           HN       ASP   2   3.261   2.241  -1.661
   11    HA   ASP   2           HA       ASP   2   3.605   1.511   1.140
   12   1HB   ASP   2          1HB       ASP   2   6.101   2.004   0.566
   13   2HB   ASP   2          2HB       ASP   2   5.399   0.506  -0.014
   14    HD2  ASP   2           HD2      ASP   2   6.931   3.320  -0.967
   15    H    ILE   3           HN       ILE   3   2.482   3.471   1.886
   16    HA   ILE   3           HA       ILE   3   4.144   5.852   1.626
   17    HB   ILE   3           HB       ILE   3   1.289   5.583   0.780
   18   1HG1  ILE   3          2HG1      ILE   3   3.344   7.436  -0.384
   19   2HG1  ILE   3          3HG1      ILE   3   3.462   5.718  -0.707
   20   1HG2  ILE   3          1HG2      ILE   3   2.516   8.174   1.763
   21   2HG2  ILE   3          2HG2      ILE   3   0.901   7.955   1.048
   22   3HG2  ILE   3          3HG2      ILE   3   1.281   7.226   2.627
   23   1HD1  ILE   3          1HD1      ILE   3   1.298   7.658  -1.508
   24   2HD1  ILE   3          2HD1      ILE   3   2.092   6.390  -2.471
   25   3HD1  ILE   3          3HD1      ILE   3   0.863   5.950  -1.262
   26    H    TYR   4           HN       TYR   4   4.165   7.124   3.426
   27    HA   TYR   4           HA       TYR   4   2.723   6.007   5.786
   28   1HB   TYR   4          1HB       TYR   4   5.474   7.173   5.401
   29   2HB   TYR   4          2HB       TYR   4   4.684   7.258   6.986
   30    HD1  TYR   4           HD1      TYR   4   3.682   4.966   7.859
   31    HD2  TYR   4           HD2      TYR   4   6.777   5.321   4.902
   32    HE1  TYR   4           HE1      TYR   4   4.418   2.648   8.351
   33    HE2  TYR   4           HE2      TYR   4   7.513   3.004   5.394
   34    HH   TYR   4           HH       TYR   4   6.019   1.043   7.970
   35    H    VAL   5           HN       VAL   5   0.899   7.505   4.890
   36    HA   VAL   5           HA       VAL   5   1.407  10.308   5.117
   37    HB   VAL   5           HB       VAL   5  -1.098   8.654   4.772
   38   1HG1  VAL   5          1HG1      VAL   5  -1.896  10.627   5.771
   39   2HG1  VAL   5          2HG1      VAL   5  -0.715  11.648   4.916
   40   3HG1  VAL   5          3HG1      VAL   5  -2.070  10.918   4.023
   41   1HG2  VAL   5          1HG2      VAL   5  -0.656  10.241   2.514
   42   2HG2  VAL   5          2HG2      VAL   5   0.959   9.642   2.963
   43   3HG2  VAL   5          3HG2      VAL   5  -0.365   8.491   2.665
   44    H    CYS   6           HN       CYS   6   1.581  11.397   6.998
   45    HA   CYS   6           HA       CYS   6   1.190  10.249   9.459
   46   1HB   CYS   6          1HB       CYS   6   2.506  12.317   8.910
   47   2HB   CYS   6          2HB       CYS   6   0.996  13.201   8.838
   48    H    THR   7           HN       THR   7  -0.517  10.633  11.097
   49    HA   THR   7           HA       THR   7  -3.129  11.131   9.828
   50    HB   THR   7           HB       THR   7  -3.915   9.629  11.778
   51    HG1  THR   7           HG1      THR   7  -1.920   9.911  13.016
   52   1HG2  THR   7          1HG2      THR   7  -2.107   7.730  10.600
   53   2HG2  THR   7          2HG2      THR   7  -3.826   7.971  10.210
   54   3HG2  THR   7          3HG2      THR   7  -2.577   8.870   9.317
   55    H    VAL   8           HN       VAL   8  -0.976  12.950  11.215
   56    HA   VAL   8           HA       VAL   8  -2.830  14.055  13.208
   57    HB   VAL   8           HB       VAL   8   0.175  14.247  12.937
   58   1HG1  VAL   8          1HG1      VAL   8  -0.171  15.383  15.285
   59   2HG1  VAL   8          2HG1      VAL   8  -0.311  16.339  13.791
   60   3HG1  VAL   8          3HG1      VAL   8  -1.778  15.780  14.629
   61   1HG2  VAL   8          1HG2      VAL   8  -1.537  12.371  14.249
   62   2HG2  VAL   8          2HG2      VAL   8   0.241  12.454  14.257
   63   3HG2  VAL   8          3HG2      VAL   8  -0.697  13.324  15.495
   64    H    CYS   9           HN       CYS   9  -0.391  14.954  10.669
   65    HA   CYS   9           HA       CYS   9  -1.920  17.423  10.311
   66   1HB   CYS   9          1HB       CYS   9   0.268  18.035   8.996
   67   2HB   CYS   9          2HB       CYS   9   0.162  18.212  10.736
   68    H    GLY  10           HN       GLY  10  -1.026  14.319   9.004
   69   1HA   GLY  10          HA1       GLY  10  -2.060  13.340   7.181
   70   2HA   GLY  10          HA2       GLY  10  -2.490  14.918   6.549
   71    H    TYR  11           HN       TYR  11   0.703  14.848   7.706
   72    HA   TYR  11           HA       TYR  11   2.025  15.579   5.445
   73   1HB   TYR  11          1HB       TYR  11   2.980  15.335   7.739
   74   2HB   TYR  11          2HB       TYR  11   3.071  13.584   7.481
   75    HD1  TYR  11           HD1      TYR  11   5.369  13.125   7.472
   76    HD2  TYR  11           HD2      TYR  11   3.844  16.352   5.081
   77    HE1  TYR  11           HE1      TYR  11   7.596  13.395   6.416
   78    HE2  TYR  11           HE2      TYR  11   6.071  16.622   4.025
   79    HH   TYR  11           HH       TYR  11   8.243  14.812   3.683
   80    H    GLU  12           HN       GLU  12   3.364  14.428   3.803
   81    HA   GLU  12           HA       GLU  12   2.369  11.722   3.378
   82   1HB   GLU  12          1HB       GLU  12   2.243  14.086   1.590
   83   2HB   GLU  12          2HB       GLU  12   2.875  12.646   0.815
   84   1HG   GLU  12          1HG       GLU  12   0.886  11.353   1.472
   85   2HG   GLU  12          2HG       GLU  12   0.279  12.693   2.424
   86    HE2  GLU  12           HE2      GLU  12   0.870  11.740  -0.905
   87    H    TYR  13           HN       TYR  13   4.020  10.384   3.617
   88    HA   TYR  13           HA       TYR  13   6.749  11.308   2.907
   89   1HB   TYR  13          1HB       TYR  13   6.369  10.474   5.195
   90   2HB   TYR  13          2HB       TYR  13   5.781   8.937   4.539
   91    HD1  TYR  13           HD1      TYR  13   7.265   7.166   4.332
   92    HD2  TYR  13           HD2      TYR  13   8.790  11.182   4.384
   93    HE1  TYR  13           HE1      TYR  13   9.584   6.286   4.312
   94    HE2  TYR  13           HE2      TYR  13  11.109  10.301   4.364
   95    HH   TYR  13           HH       TYR  13  11.825   6.834   4.598
   96    H    ASP  14           HN       ASP  14   8.203   9.739   1.739
   97    HA   ASP  14           HA       ASP  14   6.629   7.874   0.157
   98   1HB   ASP  14          1HB       ASP  14   7.345  10.151  -0.981
   99   2HB   ASP  14          2HB       ASP  14   8.946   9.439  -1.026
  100    HD2  ASP  14           HD2      ASP  14   6.469   9.936  -2.894
  101    HA   PRO  15           HA       PRO  15   9.801   5.486   2.477
  102   1HB   PRO  15          1HB       PRO  15   8.527   3.579   0.459
  103   2HB   PRO  15          2HB       PRO  15   9.055   3.293   2.149
  104   1HG   PRO  15          1HG       PRO  15   6.498   3.868   1.550
  105   2HG   PRO  15          2HG       PRO  15   7.102   4.496   3.119
  106   1HD   PRO  15          HD2       PRO  15   6.429   5.940   0.599
  107   2HD   PRO  15          HD3       PRO  15   6.702   6.603   2.239
  108    H    ALA  16           HN       ALA  16  11.829   6.241   1.719
  109    HA   ALA  16           HA       ALA  16  13.255   4.860  -0.076
  110   1HB   ALA  16          1HB       ALA  16  12.332   5.256  -2.096
  111   2HB   ALA  16          2HB       ALA  16  11.307   6.562  -1.456
  112   3HB   ALA  16          3HB       ALA  16  12.981   6.907  -1.949
  113    H    PHE  17           HN       PHE  17  14.287   5.672   2.038
  114    HA   PHE  17           HA       PHE  17  15.767   8.102   1.372
  115   1HB   PHE  17          1HB       PHE  17  14.195   7.331   3.878
  116   2HB   PHE  17          2HB       PHE  17  15.577   8.397   4.034
  117    HD1  PHE  17           HD1      PHE  17  15.211  10.671   3.916
  118    HD2  PHE  17           HD2      PHE  17  12.462   8.069   1.998
  119    HE1  PHE  17           HE1      PHE  17  13.763  12.635   3.328
  120    HE2  PHE  17           HE2      PHE  17  11.013  10.033   1.409
  121    HZ   PHE  17           HZ       PHE  17  11.681  12.292   2.081
  122    H    GLU  18           HN       GLU  18  17.461   8.252   3.534
  123    HA   GLU  18           HA       GLU  18  18.574   5.573   3.749
  124   1HB   GLU  18          1HB       GLU  18  19.726   6.943   1.930
  125   2HB   GLU  18          2HB       GLU  18  20.253   8.052   3.180
  126   1HG   GLU  18          1HG       GLU  18  20.942   5.514   4.199
  127   2HG   GLU  18          2HG       GLU  18  21.302   5.390   2.488
  128    HE2  GLU  18           HE2      GLU  18  23.350   6.076   2.093
  129    H    ASP  19           HN       ASP  19  19.005   5.042   5.853
  130    HA   ASP  19           HA       ASP  19  19.693   5.278   7.927
  131   1HB   ASP  19          1HB       ASP  19  20.813   7.545   6.914
  132   2HB   ASP  19          2HB       ASP  19  19.626   8.282   7.972
  133    HD2  ASP  19           HD2      ASP  19  22.993   6.870   8.700
  134    H    LEU  20           HN       LEU  20  17.597   4.554   8.648
  135    HA   LEU  20           HA       LEU  20  15.758   6.727   9.377
  136   1HB   LEU  20          1HB       LEU  20  15.020   5.245   7.482
  137   2HB   LEU  20          2HB       LEU  20  14.989   3.910   8.616
  138    HG   LEU  20           HG       LEU  20  13.459   6.291   9.472
  139   1HD1  LEU  20          1HD1      LEU  20  13.006   6.387   7.078
  140   2HD1  LEU  20          2HD1      LEU  20  12.542   4.669   7.081
  141   3HD1  LEU  20          3HD1      LEU  20  11.565   5.857   7.978
  142   1HD2  LEU  20          1HD2      LEU  20  12.021   3.784   9.331
  143   2HD2  LEU  20          2HD2      LEU  20  13.603   3.572  10.119
  144   3HD2  LEU  20          3HD2      LEU  20  12.451   4.776  10.744
  145    HA   PRO  21           HA       PRO  21  17.597   5.070  13.241
  146   1HB   PRO  21          1HB       PRO  21  16.140   7.597  14.064
  147   2HB   PRO  21          2HB       PRO  21  17.767   6.989  14.511
  148   1HG   PRO  21          1HG       PRO  21  17.605   8.957  12.633
  149   2HG   PRO  21          2HG       PRO  21  18.763   7.586  12.637
  150   1HD   PRO  21          HD2       PRO  21  16.193   7.994  11.043
  151   2HD   PRO  21          HD3       PRO  21  17.751   7.291  10.511
  152    H    ASP  22           HN       ASP  22  16.402   4.604  15.405
  153    HA   ASP  22           HA       ASP  22  13.789   3.649  14.670
  154   1HB   ASP  22          1HB       ASP  22  14.734   3.196  17.446
  155   2HB   ASP  22          2HB       ASP  22  14.113   2.042  16.282
  156    HD2  ASP  22           HD2      ASP  22  17.222   1.304  17.416
  157    H    ASP  23           HN       ASP  23  14.075   6.525  14.943
  158    HA   ASP  23           HA       ASP  23  12.091   6.960  16.918
  159   1HB   ASP  23          1HB       ASP  23  13.614   8.944  17.857
  160   2HB   ASP  23          2HB       ASP  23  13.695   7.337  18.552
  161    HD2  ASP  23           HD2      ASP  23  16.690   8.225  16.041
  162    H    TRP  24           HN       TRP  24  11.574   7.318  14.366
  163    HA   TRP  24           HA       TRP  24  12.494   9.901  13.426
  164   1HB   TRP  24          1HB       TRP  24  12.223   7.750  12.030
  165   2HB   TRP  24          2HB       TRP  24  10.508   8.102  12.061
  166    HD1  TRP  24           HD1      TRP  24  13.599  10.406  11.326
  167    HE1  TRP  24           HE1      TRP  24  13.203  11.789   9.115
  168    HE3  TRP  24           HE3      TRP  24   9.034   8.425  10.281
  169    HZ2  TRP  24           HZ2      TRP  24  11.072  11.898   7.218
  170    HZ3  TRP  24           HZ3      TRP  24   7.863   9.224   8.230
  171    HH2  TRP  24           HH2      TRP  24   8.810  10.899   6.723
  172    H    ALA  25           HN       ALA  25  11.170  11.747  13.292
  173    HA   ALA  25           HA       ALA  25   8.456  11.439  14.366
  174   1HB   ALA  25          1HB       ALA  25   8.871  12.841  16.086
  175   2HB   ALA  25          2HB       ALA  25  10.597  12.562  15.751
  176   3HB   ALA  25          3HB       ALA  25   9.772  13.973  15.048
  177    H    CYS  26           HN       CYS  26   6.882  12.628  13.295
  178    HA   CYS  26           HA       CYS  26   7.268  13.330  10.710
  179   1HB   CYS  26          1HB       CYS  26   5.086  13.004  11.831
  180   2HB   CYS  26          2HB       CYS  26   5.262  14.564  12.610
  181    HA   PRO  27           HA       PRO  27   9.650  17.059  10.962
  182   1HB   PRO  27          1HB       PRO  27   9.506  17.808   8.358
  183   2HB   PRO  27          2HB       PRO  27  10.357  16.308   8.850
  184   1HG   PRO  27          1HG       PRO  27   7.324  16.367   7.784
  185   2HG   PRO  27          2HG       PRO  27   8.831  15.530   7.283
  186   1HD   PRO  27          HD2       PRO  27   7.015  14.501   9.126
  187   2HD   PRO  27          HD3       PRO  27   8.767  14.141   9.180
  188    H    VAL  28           HN       VAL  28   6.268  16.791  10.724
  189    HA   VAL  28           HA       VAL  28   6.017  19.714  10.539
  190    HB   VAL  28           HB       VAL  28   3.977  17.563   9.932
  191   1HG1  VAL  28          1HG1      VAL  28   3.703  20.374  10.494
  192   2HG1  VAL  28          2HG1      VAL  28   3.258  20.060   8.800
  193   3HG1  VAL  28          3HG1      VAL  28   2.445  19.174  10.113
  194   1HG2  VAL  28          1HG2      VAL  28   5.338  17.394   8.093
  195   2HG2  VAL  28          2HG2      VAL  28   4.297  18.740   7.570
  196   3HG2  VAL  28          3HG2      VAL  28   5.919  19.071   8.225
  197    H    CYS  29           HN       CYS  29   3.497  17.475  11.670
  198    HA   CYS  29           HA       CYS  29   2.843  18.868  13.881
  199   1HB   CYS  29          1HB       CYS  29   1.919  16.730  14.781
  200   2HB   CYS  29          2HB       CYS  29   1.422  17.137  13.151
  201    H    GLY  30           HN       GLY  30   5.323  16.254  13.527
  202   1HA   GLY  30          HA1       GLY  30   7.374  16.358  14.683
  203   2HA   GLY  30          HA2       GLY  30   6.606  17.245  15.984
  204    H    ALA  31           HN       ALA  31   4.287  15.021  15.252
  205    HA   ALA  31           HA       ALA  31   4.702  13.505  17.548
  206   1HB   ALA  31          1HB       ALA  31   2.729  13.853  15.539
  207   2HB   ALA  31          2HB       ALA  31   3.099  12.112  15.581
  208   3HB   ALA  31          3HB       ALA  31   2.580  12.948  17.064
  209    H    SER  32           HN       SER  32   4.948  11.048  17.585
  210    HA   SER  32           HA       SER  32   7.363  10.449  16.240
  211   1HB   SER  32          1HB       SER  32   7.125   8.232  17.427
  212   2HB   SER  32          2HB       SER  32   7.060   9.624  18.491
  213    HG   SER  32           HG       SER  32   4.981   9.234  18.963
  214    H    LYS  33           HN       LYS  33   7.481   8.024  15.248
  215    HA   LYS  33           HA       LYS  33   5.628   8.083  13.038
  216   1HB   LYS  33          1HB       LYS  33   7.119   6.613  11.961
  217   2HB   LYS  33          2HB       LYS  33   8.132   7.744  12.833
  218   1HG   LYS  33          1HG       LYS  33   7.514   5.546  14.607
  219   2HG   LYS  33          2HG       LYS  33   8.046   4.875  13.079
  220   1HD   LYS  33          HD2       LYS  33  10.186   5.775  13.258
  221   2HD   LYS  33          HD3       LYS  33   9.643   7.181  14.151
  222   1HE   LYS  33          2HE       LYS  33  10.539   6.109  15.966
  223   2HE   LYS  33          3HE       LYS  33   9.044   5.194  15.959
  224   1HZ   LYS  33          HZ1       LYS  33  10.551   3.852  14.153
  225   2HZ   LYS  33          HZ2       LYS  33  11.692   4.320  15.217
  226    H    ASP  34           HN       ASP  34   4.098   7.687  15.233
  227    HA   ASP  34           HA       ASP  34   3.706   4.801  15.277
  228   1HB   ASP  34          1HB       ASP  34   4.142   5.871  17.491
  229   2HB   ASP  34          2HB       ASP  34   2.788   6.955  17.240
  230    HD2  ASP  34           HD2      ASP  34   0.392   4.951  17.263
  231    H    ALA  35           HN       ALA  35   2.008   8.024  15.381
  232    HA   ALA  35           HA       ALA  35  -0.552   7.059  14.878
  233   1HB   ALA  35          1HB       ALA  35   0.590   9.471  15.485
  234   2HB   ALA  35          2HB       ALA  35   0.156   9.721  13.776
  235   3HB   ALA  35          3HB       ALA  35  -1.097   9.267  14.956
  236    H    PHE  36           HN       PHE  36   2.263   7.456  12.809
  237    HA   PHE  36           HA       PHE  36   0.963   7.750  10.360
  238   1HB   PHE  36          1HB       PHE  36   3.596   6.565  11.377
  239   2HB   PHE  36          2HB       PHE  36   3.233   6.521   9.662
  240    HD1  PHE  36           HD1      PHE  36   3.827   8.770  12.528
  241    HD2  PHE  36           HD2      PHE  36   3.448   8.468   8.312
  242    HE1  PHE  36           HE1      PHE  36   4.721  11.103  12.281
  243    HE2  PHE  36           HE2      PHE  36   4.342  10.799   8.065
  244    HZ   PHE  36           HZ       PHE  36   4.967  12.089  10.051
  245    H    GLU  37           HN       GLU  37   0.003   6.327   8.939
  246    HA   GLU  37           HA       GLU  37   0.077   3.529   9.763
  247   1HB   GLU  37          1HB       GLU  37  -2.141   4.494  10.206
  248   2HB   GLU  37          2HB       GLU  37  -2.245   5.102   8.566
  249   1HG   GLU  37          1HG       GLU  37  -3.517   2.957   8.903
  250   2HG   GLU  37          2HG       GLU  37  -2.304   2.844   7.645
  251    HE2  GLU  37           HE2      GLU  37  -2.052  -0.078   9.445
  252    H    LYS  38           HN       LYS  38   0.111   1.931   8.050
  253    HA   LYS  38           HA       LYS  38   1.317   2.991   5.636
  254   1HB   LYS  38          1HB       LYS  38   2.125   0.982   7.128
  255   2HB   LYS  38          2HB       LYS  38   0.938   0.067   6.219
  256   1HG   LYS  38          1HG       LYS  38   2.793   1.853   4.656
  257   2HG   LYS  38          2HG       LYS  38   3.479   0.398   5.352
  258   1HD   LYS  38          HD2       LYS  38   0.870  -0.048   4.002
  259   2HD   LYS  38          HD3       LYS  38   2.125   0.532   2.926
  260   1HE   LYS  38          2HE       LYS  38   3.016  -1.551   2.859
  261   2HE   LYS  38          3HE       LYS  38   3.361  -1.451   4.574
  262   1HZ   LYS  38          HZ1       LYS  38   1.450  -3.065   3.342
  263   2HZ   LYS  38          HZ2       LYS  38   1.735  -2.935   4.939
  264    H    GLN  39           HN       GLN  39  -0.250   3.856   4.311
  265    HA   GLN  39           HA       GLN  39  -2.169   1.918   3.343
  266   1HB   GLN  39          1HB       GLN  39  -2.810   4.407   4.819
  267   2HB   GLN  39          2HB       GLN  39  -3.668   4.253   3.298
  268   1HG   GLN  39          1HG       GLN  39  -3.556   2.033   5.393
  269   2HG   GLN  39          2HG       GLN  39  -4.845   3.218   5.315
  270   1HE2  GLN  39          1HE2      GLN  39  -6.517   2.869   4.044
  271   2HE2  GLN  39          2HE2      GLN  39  -6.650   1.653   2.818
  Start of MODEL    7
    1   1H    MET   1           HN       MET   1  -0.374  -0.215  -0.777
    2    HA   MET   1           HA       MET   1   1.556   0.909  -2.653
    3   1HB   MET   1          1HB       MET   1  -0.686   2.273  -1.076
    4   2HB   MET   1          2HB       MET   1   0.658   3.189  -1.729
    5   1HG   MET   1          1HG       MET   1  -0.949   1.332  -3.521
    6   2HG   MET   1          2HG       MET   1  -1.530   2.947  -3.171
    7   1HE   MET   1          1HE       MET   1  -0.244   3.479  -6.677
    8   2HE   MET   1          2HE       MET   1  -0.252   1.732  -6.338
    9   3HE   MET   1          3HE       MET   1  -1.546   2.770  -5.691
   10    H    ASP   2           HN       ASP   2   3.261   2.241  -1.661
   11    HA   ASP   2           HA       ASP   2   3.605   1.511   1.140
   12   1HB   ASP   2          1HB       ASP   2   6.101   2.004   0.566
   13   2HB   ASP   2          2HB       ASP   2   5.399   0.506  -0.014
   14    HD2  ASP   2           HD2      ASP   2   6.931   3.320  -0.967
   15    H    ILE   3           HN       ILE   3   2.482   3.471   1.886
   16    HA   ILE   3           HA       ILE   3   4.144   5.852   1.626
   17    HB   ILE   3           HB       ILE   3   1.289   5.583   0.780
   18   1HG1  ILE   3          2HG1      ILE   3   3.344   7.436  -0.384
   19   2HG1  ILE   3          3HG1      ILE   3   3.462   5.718  -0.707
   20   1HG2  ILE   3          1HG2      ILE   3   2.516   8.174   1.763
   21   2HG2  ILE   3          2HG2      ILE   3   0.901   7.955   1.048
   22   3HG2  ILE   3          3HG2      ILE   3   1.281   7.226   2.627
   23   1HD1  ILE   3          1HD1      ILE   3   1.298   7.658  -1.508
   24   2HD1  ILE   3          2HD1      ILE   3   2.092   6.390  -2.471
   25   3HD1  ILE   3          3HD1      ILE   3   0.863   5.950  -1.262
   26    H    TYR   4           HN       TYR   4   4.165   7.124   3.426
   27    HA   TYR   4           HA       TYR   4   2.723   6.007   5.786
   28   1HB   TYR   4          1HB       TYR   4   5.474   7.173   5.401
   29   2HB   TYR   4          2HB       TYR   4   4.684   7.258   6.986
   30    HD1  TYR   4           HD1      TYR   4   3.682   4.966   7.859
   31    HD2  TYR   4           HD2      TYR   4   6.777   5.321   4.902
   32    HE1  TYR   4           HE1      TYR   4   4.418   2.648   8.351
   33    HE2  TYR   4           HE2      TYR   4   7.513   3.004   5.394
   34    HH   TYR   4           HH       TYR   4   6.019   1.043   7.970
   35    H    VAL   5           HN       VAL   5   0.899   7.505   4.890
   36    HA   VAL   5           HA       VAL   5   1.407  10.308   5.117
   37    HB   VAL   5           HB       VAL   5  -1.098   8.654   4.772
   38   1HG1  VAL   5          1HG1      VAL   5  -1.896  10.627   5.771
   39   2HG1  VAL   5          2HG1      VAL   5  -0.715  11.648   4.916
   40   3HG1  VAL   5          3HG1      VAL   5  -2.070  10.918   4.023
   41   1HG2  VAL   5          1HG2      VAL   5  -0.656  10.241   2.514
   42   2HG2  VAL   5          2HG2      VAL   5   0.959   9.642   2.963
   43   3HG2  VAL   5          3HG2      VAL   5  -0.365   8.491   2.665
   44    H    CYS   6           HN       CYS   6   1.581  11.397   6.998
   45    HA   CYS   6           HA       CYS   6   1.190  10.249   9.459
   46   1HB   CYS   6          1HB       CYS   6   2.506  12.317   8.910
   47   2HB   CYS   6          2HB       CYS   6   0.996  13.201   8.838
   48    H    THR   7           HN       THR   7  -0.517  10.633  11.097
   49    HA   THR   7           HA       THR   7  -3.129  11.131   9.828
   50    HB   THR   7           HB       THR   7  -3.915   9.629  11.778
   51    HG1  THR   7           HG1      THR   7  -1.920   9.911  13.016
   52   1HG2  THR   7          1HG2      THR   7  -2.107   7.730  10.600
   53   2HG2  THR   7          2HG2      THR   7  -3.826   7.971  10.210
   54   3HG2  THR   7          3HG2      THR   7  -2.577   8.870   9.317
   55    H    VAL   8           HN       VAL   8  -0.976  12.950  11.215
   56    HA   VAL   8           HA       VAL   8  -2.830  14.055  13.208
   57    HB   VAL   8           HB       VAL   8   0.175  14.247  12.937
   58   1HG1  VAL   8          1HG1      VAL   8  -0.171  15.383  15.285
   59   2HG1  VAL   8          2HG1      VAL   8  -0.311  16.339  13.791
   60   3HG1  VAL   8          3HG1      VAL   8  -1.778  15.780  14.629
   61   1HG2  VAL   8          1HG2      VAL   8  -1.537  12.371  14.249
   62   2HG2  VAL   8          2HG2      VAL   8   0.241  12.454  14.257
   63   3HG2  VAL   8          3HG2      VAL   8  -0.697  13.324  15.495
   64    H    CYS   9           HN       CYS   9  -0.391  14.954  10.669
   65    HA   CYS   9           HA       CYS   9  -1.920  17.423  10.311
   66   1HB   CYS   9          1HB       CYS   9   0.268  18.035   8.996
   67   2HB   CYS   9          2HB       CYS   9   0.162  18.212  10.736
   68    H    GLY  10           HN       GLY  10  -1.026  14.319   9.004
   69   1HA   GLY  10          HA1       GLY  10  -2.060  13.340   7.181
   70   2HA   GLY  10          HA2       GLY  10  -2.490  14.918   6.549
   71    H    TYR  11           HN       TYR  11   0.703  14.848   7.706
   72    HA   TYR  11           HA       TYR  11   2.025  15.579   5.445
   73   1HB   TYR  11          1HB       TYR  11   2.980  15.335   7.739
   74   2HB   TYR  11          2HB       TYR  11   3.071  13.584   7.481
   75    HD1  TYR  11           HD1      TYR  11   5.369  13.125   7.472
   76    HD2  TYR  11           HD2      TYR  11   3.844  16.352   5.081
   77    HE1  TYR  11           HE1      TYR  11   7.596  13.395   6.416
   78    HE2  TYR  11           HE2      TYR  11   6.071  16.622   4.025
   79    HH   TYR  11           HH       TYR  11   8.243  14.812   3.683
   80    H    GLU  12           HN       GLU  12   3.364  14.428   3.803
   81    HA   GLU  12           HA       GLU  12   2.369  11.722   3.378
   82   1HB   GLU  12          1HB       GLU  12   2.243  14.086   1.590
   83   2HB   GLU  12          2HB       GLU  12   2.875  12.646   0.815
   84   1HG   GLU  12          1HG       GLU  12   0.886  11.353   1.472
   85   2HG   GLU  12          2HG       GLU  12   0.279  12.693   2.424
   86    HE2  GLU  12           HE2      GLU  12   0.870  11.740  -0.905
   87    H    TYR  13           HN       TYR  13   4.020  10.384   3.617
   88    HA   TYR  13           HA       TYR  13   6.749  11.308   2.907
   89   1HB   TYR  13          1HB       TYR  13   6.369  10.474   5.195
   90   2HB   TYR  13          2HB       TYR  13   5.781   8.937   4.539
   91    HD1  TYR  13           HD1      TYR  13   7.265   7.166   4.332
   92    HD2  TYR  13           HD2      TYR  13   8.790  11.182   4.384
   93    HE1  TYR  13           HE1      TYR  13   9.584   6.286   4.312
   94    HE2  TYR  13           HE2      TYR  13  11.109  10.301   4.364
   95    HH   TYR  13           HH       TYR  13  11.825   6.834   4.598
   96    H    ASP  14           HN       ASP  14   8.203   9.739   1.739
   97    HA   ASP  14           HA       ASP  14   6.629   7.874   0.157
   98   1HB   ASP  14          1HB       ASP  14   7.345  10.151  -0.981
   99   2HB   ASP  14          2HB       ASP  14   8.946   9.439  -1.026
  100    HD2  ASP  14           HD2      ASP  14   6.469   9.936  -2.894
  101    HA   PRO  15           HA       PRO  15   9.801   5.486   2.477
  102   1HB   PRO  15          1HB       PRO  15   8.527   3.579   0.459
  103   2HB   PRO  15          2HB       PRO  15   9.055   3.293   2.149
  104   1HG   PRO  15          1HG       PRO  15   6.498   3.868   1.550
  105   2HG   PRO  15          2HG       PRO  15   7.102   4.496   3.119
  106   1HD   PRO  15          HD2       PRO  15   6.429   5.940   0.599
  107   2HD   PRO  15          HD3       PRO  15   6.702   6.603   2.239
  108    H    ALA  16           HN       ALA  16  11.829   6.241   1.719
  109    HA   ALA  16           HA       ALA  16  13.255   4.860  -0.076
  110   1HB   ALA  16          1HB       ALA  16  12.332   5.256  -2.096
  111   2HB   ALA  16          2HB       ALA  16  11.307   6.562  -1.456
  112   3HB   ALA  16          3HB       ALA  16  12.981   6.907  -1.949
  113    H    PHE  17           HN       PHE  17  14.287   5.672   2.038
  114    HA   PHE  17           HA       PHE  17  15.767   8.102   1.372
  115   1HB   PHE  17          1HB       PHE  17  14.195   7.331   3.878
  116   2HB   PHE  17          2HB       PHE  17  15.577   8.397   4.034
  117    HD1  PHE  17           HD1      PHE  17  15.211  10.671   3.916
  118    HD2  PHE  17           HD2      PHE  17  12.462   8.069   1.998
  119    HE1  PHE  17           HE1      PHE  17  13.763  12.635   3.328
  120    HE2  PHE  17           HE2      PHE  17  11.013  10.033   1.409
  121    HZ   PHE  17           HZ       PHE  17  11.681  12.292   2.081
  122    H    GLU  18           HN       GLU  18  17.461   8.252   3.534
  123    HA   GLU  18           HA       GLU  18  18.574   5.573   3.749
  124   1HB   GLU  18          1HB       GLU  18  19.726   6.943   1.930
  125   2HB   GLU  18          2HB       GLU  18  20.253   8.052   3.180
  126   1HG   GLU  18          1HG       GLU  18  20.942   5.514   4.199
  127   2HG   GLU  18          2HG       GLU  18  21.302   5.390   2.488
  128    HE2  GLU  18           HE2      GLU  18  23.350   6.076   2.093
  129    H    ASP  19           HN       ASP  19  19.005   5.042   5.853
  130    HA   ASP  19           HA       ASP  19  19.693   5.278   7.927
  131   1HB   ASP  19          1HB       ASP  19  20.813   7.545   6.914
  132   2HB   ASP  19          2HB       ASP  19  19.626   8.282   7.972
  133    HD2  ASP  19           HD2      ASP  19  22.993   6.870   8.700
  134    H    LEU  20           HN       LEU  20  17.597   4.554   8.648
  135    HA   LEU  20           HA       LEU  20  15.758   6.727   9.377
  136   1HB   LEU  20          1HB       LEU  20  15.020   5.245   7.482
  137   2HB   LEU  20          2HB       LEU  20  14.989   3.910   8.616
  138    HG   LEU  20           HG       LEU  20  13.459   6.291   9.472
  139   1HD1  LEU  20          1HD1      LEU  20  13.006   6.387   7.078
  140   2HD1  LEU  20          2HD1      LEU  20  12.542   4.669   7.081
  141   3HD1  LEU  20          3HD1      LEU  20  11.565   5.857   7.978
  142   1HD2  LEU  20          1HD2      LEU  20  12.021   3.784   9.331
  143   2HD2  LEU  20          2HD2      LEU  20  13.603   3.572  10.119
  144   3HD2  LEU  20          3HD2      LEU  20  12.451   4.776  10.744
  145    HA   PRO  21           HA       PRO  21  17.597   5.070  13.241
  146   1HB   PRO  21          1HB       PRO  21  16.140   7.597  14.064
  147   2HB   PRO  21          2HB       PRO  21  17.767   6.989  14.511
  148   1HG   PRO  21          1HG       PRO  21  17.605   8.957  12.633
  149   2HG   PRO  21          2HG       PRO  21  18.763   7.586  12.637
  150   1HD   PRO  21          HD2       PRO  21  16.193   7.994  11.043
  151   2HD   PRO  21          HD3       PRO  21  17.751   7.291  10.511
  152    H    ASP  22           HN       ASP  22  16.402   4.604  15.405
  153    HA   ASP  22           HA       ASP  22  13.789   3.649  14.670
  154   1HB   ASP  22          1HB       ASP  22  14.734   3.196  17.446
  155   2HB   ASP  22          2HB       ASP  22  14.113   2.042  16.282
  156    HD2  ASP  22           HD2      ASP  22  17.222   1.304  17.416
  157    H    ASP  23           HN       ASP  23  14.075   6.525  14.943
  158    HA   ASP  23           HA       ASP  23  12.091   6.960  16.918
  159   1HB   ASP  23          1HB       ASP  23  13.614   8.944  17.857
  160   2HB   ASP  23          2HB       ASP  23  13.695   7.337  18.552
  161    HD2  ASP  23           HD2      ASP  23  16.690   8.225  16.041
  162    H    TRP  24           HN       TRP  24  11.574   7.318  14.366
  163    HA   TRP  24           HA       TRP  24  12.494   9.901  13.426
  164   1HB   TRP  24          1HB       TRP  24  12.223   7.750  12.030
  165   2HB   TRP  24          2HB       TRP  24  10.508   8.102  12.061
  166    HD1  TRP  24           HD1      TRP  24  13.599  10.406  11.326
  167    HE1  TRP  24           HE1      TRP  24  13.203  11.789   9.115
  168    HE3  TRP  24           HE3      TRP  24   9.034   8.425  10.281
  169    HZ2  TRP  24           HZ2      TRP  24  11.072  11.898   7.218
  170    HZ3  TRP  24           HZ3      TRP  24   7.863   9.224   8.230
  171    HH2  TRP  24           HH2      TRP  24   8.810  10.899   6.723
  172    H    ALA  25           HN       ALA  25  11.170  11.747  13.292
  173    HA   ALA  25           HA       ALA  25   8.456  11.439  14.366
  174   1HB   ALA  25          1HB       ALA  25   8.871  12.841  16.086
  175   2HB   ALA  25          2HB       ALA  25  10.597  12.562  15.751
  176   3HB   ALA  25          3HB       ALA  25   9.772  13.973  15.048
  177    H    CYS  26           HN       CYS  26   6.882  12.628  13.295
  178    HA   CYS  26           HA       CYS  26   7.268  13.330  10.710
  179   1HB   CYS  26          1HB       CYS  26   5.086  13.004  11.831
  180   2HB   CYS  26          2HB       CYS  26   5.262  14.564  12.610
  181    HA   PRO  27           HA       PRO  27   9.650  17.059  10.962
  182   1HB   PRO  27          1HB       PRO  27   9.506  17.808   8.358
  183   2HB   PRO  27          2HB       PRO  27  10.357  16.308   8.850
  184   1HG   PRO  27          1HG       PRO  27   7.324  16.367   7.784
  185   2HG   PRO  27          2HG       PRO  27   8.831  15.530   7.283
  186   1HD   PRO  27          HD2       PRO  27   7.015  14.501   9.126
  187   2HD   PRO  27          HD3       PRO  27   8.767  14.141   9.180
  188    H    VAL  28           HN       VAL  28   6.268  16.791  10.724
  189    HA   VAL  28           HA       VAL  28   6.017  19.714  10.539
  190    HB   VAL  28           HB       VAL  28   3.977  17.563   9.932
  191   1HG1  VAL  28          1HG1      VAL  28   3.703  20.374  10.494
  192   2HG1  VAL  28          2HG1      VAL  28   3.258  20.060   8.800
  193   3HG1  VAL  28          3HG1      VAL  28   2.445  19.174  10.113
  194   1HG2  VAL  28          1HG2      VAL  28   5.338  17.394   8.093
  195   2HG2  VAL  28          2HG2      VAL  28   4.297  18.740   7.570
  196   3HG2  VAL  28          3HG2      VAL  28   5.919  19.071   8.225
  197    H    CYS  29           HN       CYS  29   3.497  17.475  11.670
  198    HA   CYS  29           HA       CYS  29   2.843  18.868  13.881
  199   1HB   CYS  29          1HB       CYS  29   1.919  16.730  14.781
  200   2HB   CYS  29          2HB       CYS  29   1.422  17.137  13.151
  201    H    GLY  30           HN       GLY  30   5.323  16.254  13.527
  202   1HA   GLY  30          HA1       GLY  30   7.374  16.358  14.683
  203   2HA   GLY  30          HA2       GLY  30   6.606  17.245  15.984
  204    H    ALA  31           HN       ALA  31   4.287  15.021  15.252
  205    HA   ALA  31           HA       ALA  31   4.702  13.505  17.548
  206   1HB   ALA  31          1HB       ALA  31   2.729  13.853  15.539
  207   2HB   ALA  31          2HB       ALA  31   3.099  12.112  15.581
  208   3HB   ALA  31          3HB       ALA  31   2.580  12.948  17.064
  209    H    SER  32           HN       SER  32   4.948  11.048  17.585
  210    HA   SER  32           HA       SER  32   7.363  10.449  16.240
  211   1HB   SER  32          1HB       SER  32   7.125   8.232  17.427
  212   2HB   SER  32          2HB       SER  32   7.060   9.624  18.491
  213    HG   SER  32           HG       SER  32   4.981   9.234  18.963
  214    H    LYS  33           HN       LYS  33   7.481   8.024  15.248
  215    HA   LYS  33           HA       LYS  33   5.628   8.083  13.038
  216   1HB   LYS  33          1HB       LYS  33   7.119   6.613  11.961
  217   2HB   LYS  33          2HB       LYS  33   8.132   7.744  12.833
  218   1HG   LYS  33          1HG       LYS  33   7.514   5.546  14.607
  219   2HG   LYS  33          2HG       LYS  33   8.046   4.875  13.079
  220   1HD   LYS  33          HD2       LYS  33  10.186   5.775  13.258
  221   2HD   LYS  33          HD3       LYS  33   9.643   7.181  14.151
  222   1HE   LYS  33          2HE       LYS  33  10.539   6.109  15.966
  223   2HE   LYS  33          3HE       LYS  33   9.044   5.194  15.959
  224   1HZ   LYS  33          HZ1       LYS  33  10.551   3.852  14.153
  225   2HZ   LYS  33          HZ2       LYS  33  11.692   4.320  15.217
  226    H    ASP  34           HN       ASP  34   4.098   7.687  15.233
  227    HA   ASP  34           HA       ASP  34   3.706   4.801  15.277
  228   1HB   ASP  34          1HB       ASP  34   4.142   5.871  17.491
  229   2HB   ASP  34          2HB       ASP  34   2.788   6.955  17.240
  230    HD2  ASP  34           HD2      ASP  34   0.392   4.951  17.263
  231    H    ALA  35           HN       ALA  35   2.008   8.024  15.381
  232    HA   ALA  35           HA       ALA  35  -0.552   7.059  14.878
  233   1HB   ALA  35          1HB       ALA  35   0.590   9.471  15.485
  234   2HB   ALA  35          2HB       ALA  35   0.156   9.721  13.776
  235   3HB   ALA  35          3HB       ALA  35  -1.097   9.267  14.956
  236    H    PHE  36           HN       PHE  36   2.263   7.456  12.809
  237    HA   PHE  36           HA       PHE  36   0.963   7.750  10.360
  238   1HB   PHE  36          1HB       PHE  36   3.596   6.565  11.377
  239   2HB   PHE  36          2HB       PHE  36   3.233   6.521   9.662
  240    HD1  PHE  36           HD1      PHE  36   3.827   8.770  12.528
  241    HD2  PHE  36           HD2      PHE  36   3.448   8.468   8.312
  242    HE1  PHE  36           HE1      PHE  36   4.721  11.103  12.281
  243    HE2  PHE  36           HE2      PHE  36   4.342  10.799   8.065
  244    HZ   PHE  36           HZ       PHE  36   4.967  12.089  10.051
  245    H    GLU  37           HN       GLU  37   0.003   6.327   8.939
  246    HA   GLU  37           HA       GLU  37   0.077   3.529   9.763
  247   1HB   GLU  37          1HB       GLU  37  -2.141   4.494  10.206
  248   2HB   GLU  37          2HB       GLU  37  -2.245   5.102   8.566
  249   1HG   GLU  37          1HG       GLU  37  -3.517   2.957   8.903
  250   2HG   GLU  37          2HG       GLU  37  -2.304   2.844   7.645
  251    HE2  GLU  37           HE2      GLU  37  -2.052  -0.078   9.445
  252    H    LYS  38           HN       LYS  38   0.111   1.931   8.050
  253    HA   LYS  38           HA       LYS  38   1.317   2.991   5.636
  254   1HB   LYS  38          1HB       LYS  38   2.125   0.982   7.128
  255   2HB   LYS  38          2HB       LYS  38   0.938   0.067   6.219
  256   1HG   LYS  38          1HG       LYS  38   2.793   1.853   4.656
  257   2HG   LYS  38          2HG       LYS  38   3.479   0.398   5.352
  258   1HD   LYS  38          HD2       LYS  38   0.870  -0.048   4.002
  259   2HD   LYS  38          HD3       LYS  38   2.125   0.532   2.926
  260   1HE   LYS  38          2HE       LYS  38   3.016  -1.551   2.859
  261   2HE   LYS  38          3HE       LYS  38   3.361  -1.451   4.574
  262   1HZ   LYS  38          HZ1       LYS  38   1.450  -3.065   3.342
  263   2HZ   LYS  38          HZ2       LYS  38   1.735  -2.935   4.939
  264    H    GLN  39           HN       GLN  39  -0.250   3.856   4.311
  265    HA   GLN  39           HA       GLN  39  -2.169   1.918   3.343
  266   1HB   GLN  39          1HB       GLN  39  -2.810   4.407   4.819
  267   2HB   GLN  39          2HB       GLN  39  -3.668   4.253   3.298
  268   1HG   GLN  39          1HG       GLN  39  -3.556   2.033   5.393
  269   2HG   GLN  39          2HG       GLN  39  -4.845   3.218   5.315
  270   1HE2  GLN  39          1HE2      GLN  39  -6.517   2.869   4.044
  271   2HE2  GLN  39          2HE2      GLN  39  -6.650   1.653   2.818
  Start of MODEL    8
    1   1H    MET   1           HN       MET   1   7.933   1.482  -2.758
    2    HA   MET   1           HA       MET   1   5.834   1.265  -3.440
    3   1HB   MET   1          1HB       MET   1   6.601  -1.618  -3.243
    4   2HB   MET   1          2HB       MET   1   4.897  -1.323  -2.959
    5   1HG   MET   1          1HG       MET   1   4.841   0.022  -5.128
    6   2HG   MET   1          2HG       MET   1   6.493  -0.482  -5.425
    7   1HE   MET   1          1HE       MET   1   3.210  -3.119  -4.226
    8   2HE   MET   1          2HE       MET   1   3.102  -1.361  -4.484
    9   3HE   MET   1          3HE       MET   1   2.602  -2.482  -5.772
   10    H    ASP   2           HN       ASP   2   5.493   2.615  -1.540
   11    HA   ASP   2           HA       ASP   2   3.582   1.605   0.158
   12   1HB   ASP   2          1HB       ASP   2   4.921   1.815   2.342
   13   2HB   ASP   2          2HB       ASP   2   5.215   0.374   1.389
   14    HD2  ASP   2           HD2      ASP   2   6.612   3.230   2.562
   15    H    ILE   3           HN       ILE   3   3.076   3.332   1.945
   16    HA   ILE   3           HA       ILE   3   4.403   5.872   1.514
   17    HB   ILE   3           HB       ILE   3   1.531   5.334   0.803
   18   1HG1  ILE   3          2HG1      ILE   3   3.744   6.804  -0.660
   19   2HG1  ILE   3          3HG1      ILE   3   3.280   5.141  -0.956
   20   1HG2  ILE   3          1HG2      ILE   3   2.701   7.754   2.023
   21   2HG2  ILE   3          2HG2      ILE   3   1.750   8.029   0.544
   22   3HG2  ILE   3          3HG2      ILE   3   1.011   7.202   1.936
   23   1HD1  ILE   3          1HD1      ILE   3   1.824   7.673  -1.631
   24   2HD1  ILE   3          2HD1      ILE   3   1.941   6.150  -2.546
   25   3HD1  ILE   3          3HD1      ILE   3   0.828   6.274  -1.162
   26    H    TYR   4           HN       TYR   4   4.238   7.237   3.252
   27    HA   TYR   4           HA       TYR   4   2.777   6.159   5.616
   28   1HB   TYR   4          1HB       TYR   4   5.598   7.222   5.367
   29   2HB   TYR   4          2HB       TYR   4   4.738   7.203   6.916
   30    HD1  TYR   4           HD1      TYR   4   4.156   5.079   8.009
   31    HD2  TYR   4           HD2      TYR   4   6.391   5.179   4.341
   32    HE1  TYR   4           HE1      TYR   4   4.828   2.716   8.353
   33    HE2  TYR   4           HE2      TYR   4   7.062   2.817   4.686
   34    HH   TYR   4           HH       TYR   4   5.818   0.864   7.385
   35    H    VAL   5           HN       VAL   5   0.995   7.662   5.104
   36    HA   VAL   5           HA       VAL   5   1.751  10.476   5.226
   37    HB   VAL   5           HB       VAL   5  -0.760   8.991   4.462
   38   1HG1  VAL   5          1HG1      VAL   5  -0.408  12.003   4.625
   39   2HG1  VAL   5          2HG1      VAL   5  -1.847  11.128   4.047
   40   3HG1  VAL   5          3HG1      VAL   5  -1.364  11.017   5.756
   41   1HG2  VAL   5          1HG2      VAL   5   1.113  10.818   2.920
   42   2HG2  VAL   5          2HG2      VAL   5   0.973   9.052   2.752
   43   3HG2  VAL   5          3HG2      VAL   5  -0.385  10.101   2.280
   44    H    CYS   6           HN       CYS   6   1.728  11.526   7.140
   45    HA   CYS   6           HA       CYS   6   1.034  10.326   9.504
   46   1HB   CYS   6          1HB       CYS   6   2.440  12.404   9.104
   47   2HB   CYS   6          2HB       CYS   6   0.939  13.304   9.013
   48    H    THR   7           HN       THR   7  -0.841  10.597  10.921
   49    HA   THR   7           HA       THR   7  -3.278  11.282   9.416
   50    HB   THR   7           HB       THR   7  -4.342   9.669  11.082
   51    HG1  THR   7           HG1      THR   7  -2.575   9.925  12.660
   52   1HG2  THR   7          1HG2      THR   7  -2.947   9.011   8.781
   53   2HG2  THR   7          2HG2      THR   7  -2.083   8.048  10.002
   54   3HG2  THR   7          3HG2      THR   7  -3.835   7.833   9.776
   55    H    VAL   8           HN       VAL   8  -1.289  13.003  11.064
   56    HA   VAL   8           HA       VAL   8  -3.312  14.018  12.939
   57    HB   VAL   8           HB       VAL   8  -0.324  13.827  13.042
   58   1HG1  VAL   8          1HG1      VAL   8  -1.979  16.083  14.031
   59   2HG1  VAL   8          2HG1      VAL   8  -0.820  15.399  15.196
   60   3HG1  VAL   8          3HG1      VAL   8  -0.248  16.016  13.627
   61   1HG2  VAL   8          1HG2      VAL   8  -1.209  12.103  14.281
   62   2HG2  VAL   8          2HG2      VAL   8  -1.096  13.363  15.532
   63   3HG2  VAL   8          3HG2      VAL   8  -2.657  13.027  14.746
   64    H    CYS   9           HN       CYS   9  -0.617  14.952  10.694
   65    HA   CYS   9           HA       CYS   9  -1.995  17.513  10.365
   66   1HB   CYS   9          1HB       CYS   9   0.258  18.189   9.333
   67   2HB   CYS   9          2HB       CYS   9   0.125  18.059  11.076
   68    H    GLY  10           HN       GLY  10  -1.126  14.448   8.942
   69   1HA   GLY  10          HA1       GLY  10  -1.982  13.596   6.986
   70   2HA   GLY  10          HA2       GLY  10  -2.425  15.205   6.453
   71    H    TYR  11           HN       TYR  11   0.746  14.806   7.785
   72    HA   TYR  11           HA       TYR  11   2.132  15.808   5.579
   73   1HB   TYR  11          1HB       TYR  11   2.973  15.580   7.921
   74   2HB   TYR  11          2HB       TYR  11   3.150  13.838   7.653
   75    HD1  TYR  11           HD1      TYR  11   5.471  13.504   7.797
   76    HD2  TYR  11           HD2      TYR  11   3.924  16.629   5.288
   77    HE1  TYR  11           HE1      TYR  11   7.738  13.877   6.864
   78    HE2  TYR  11           HE2      TYR  11   6.191  17.002   4.355
   79    HH   TYR  11           HH       TYR  11   9.058  15.499   5.671
   80    H    GLU  12           HN       GLU  12   3.558  14.752   3.970
   81    HA   GLU  12           HA       GLU  12   2.612  12.047   3.416
   82   1HB   GLU  12          1HB       GLU  12   2.771  14.451   1.716
   83   2HB   GLU  12          2HB       GLU  12   3.556  13.065   0.986
   84   1HG   GLU  12          1HG       GLU  12   0.836  12.674   2.244
   85   2HG   GLU  12          2HG       GLU  12   0.926  13.484   0.693
   86    HE2  GLU  12           HE2      GLU  12   0.442  10.152  -0.102
   87    H    TYR  13           HN       TYR  13   4.107  10.493   3.141
   88    HA   TYR  13           HA       TYR  13   6.968  11.340   3.119
   89   1HB   TYR  13          1HB       TYR  13   6.381  10.358   5.250
   90   2HB   TYR  13          2HB       TYR  13   5.601   8.982   4.452
   91    HD1  TYR  13           HD1      TYR  13   6.840   7.070   3.817
   92    HD2  TYR  13           HD2      TYR  13   8.890  10.649   5.016
   93    HE1  TYR  13           HE1      TYR  13   8.984   5.825   3.864
   94    HE2  TYR  13           HE2      TYR  13  11.034   9.405   5.063
   95    HH   TYR  13           HH       TYR  13  12.032   7.332   4.933
   96    H    ASP  14           HN       ASP  14   8.459   9.556   2.149
   97    HA   ASP  14           HA       ASP  14   7.004   8.036   0.156
   98   1HB   ASP  14          1HB       ASP  14   8.034  10.346  -0.658
   99   2HB   ASP  14          2HB       ASP  14   9.560   9.486  -0.592
  100    HD2  ASP  14           HD2      ASP  14   6.796   8.129  -3.149
  101    HA   PRO  15           HA       PRO  15   9.953   5.001   1.530
  102   1HB   PRO  15          1HB       PRO  15   9.610   3.157  -0.470
  103   2HB   PRO  15          2HB       PRO  15   8.343   3.504   0.750
  104   1HG   PRO  15          1HG       PRO  15   8.232   4.654  -2.252
  105   2HG   PRO  15          2HG       PRO  15   7.354   3.767  -0.964
  106   1HD   PRO  15          HD2       PRO  15   7.540   6.630  -1.354
  107   2HD   PRO  15          HD3       PRO  15   6.823   5.779   0.048
  108    H    ALA  16           HN       ALA  16  11.980   6.170   1.297
  109    HA   ALA  16           HA       ALA  16  13.786   5.183  -0.457
  110   1HB   ALA  16          1HB       ALA  16  11.972   6.972  -1.814
  111   2HB   ALA  16          2HB       ALA  16  13.600   7.692  -1.788
  112   3HB   ALA  16          3HB       ALA  16  13.355   6.067  -2.475
  113    H    PHE  17           HN       PHE  17  14.420   5.504   1.918
  114    HA   PHE  17           HA       PHE  17  15.860   8.039   2.075
  115   1HB   PHE  17          1HB       PHE  17  13.752   6.844   3.877
  116   2HB   PHE  17          2HB       PHE  17  15.146   7.509   4.706
  117    HD1  PHE  17           HD1      PHE  17  14.976   9.695   5.396
  118    HD2  PHE  17           HD2      PHE  17  12.831   8.496   1.937
  119    HE1  PHE  17           HE1      PHE  17  13.987  11.994   5.213
  120    HE2  PHE  17           HE2      PHE  17  11.841  10.795   1.754
  121    HZ   PHE  17           HZ       PHE  17  12.430  12.517   3.394
  122    H    GLU  18           HN       GLU  18  17.563   7.940   3.898
  123    HA   GLU  18           HA       GLU  18  19.017   5.553   3.499
  124   1HB   GLU  18          1HB       GLU  18  20.615   6.711   5.183
  125   2HB   GLU  18          2HB       GLU  18  20.342   7.503   3.643
  126   1HG   GLU  18          1HG       GLU  18  18.924   9.154   4.589
  127   2HG   GLU  18          2HG       GLU  18  18.560   8.181   5.999
  128    HE2  GLU  18           HE2      GLU  18  19.533  10.761   5.993
  129    H    ASP  19           HN       ASP  19  17.196   4.147   4.423
  130    HA   ASP  19           HA       ASP  19  16.488   2.796   5.963
  131   1HB   ASP  19          1HB       ASP  19  19.139   3.613   6.993
  132   2HB   ASP  19          2HB       ASP  19  18.052   3.101   8.269
  133    HD2  ASP  19           HD2      ASP  19  19.293   1.943   5.192
  134    H    LEU  20           HN       LEU  20  15.593   2.754   8.384
  135    HA   LEU  20           HA       LEU  20  14.729   5.484   9.036
  136   1HB   LEU  20          1HB       LEU  20  13.238   3.193   8.407
  137   2HB   LEU  20          2HB       LEU  20  13.081   3.383  10.143
  138    HG   LEU  20           HG       LEU  20  12.101   5.532   9.940
  139   1HD1  LEU  20          1HD1      LEU  20  11.778   6.432   7.476
  140   2HD1  LEU  20          2HD1      LEU  20  13.253   6.782   8.409
  141   3HD1  LEU  20          3HD1      LEU  20  13.261   5.491   7.185
  142   1HD2  LEU  20          1HD2      LEU  20  10.904   3.957   7.653
  143   2HD2  LEU  20          2HD2      LEU  20  10.686   3.523   9.365
  144   3HD2  LEU  20          3HD2      LEU  20  10.091   5.088   8.760
  145    HA   PRO  21           HA       PRO  21  16.792   4.919  12.873
  146   1HB   PRO  21          1HB       PRO  21  15.988   7.170  14.123
  147   2HB   PRO  21          2HB       PRO  21  16.957   7.261  12.617
  148   1HG   PRO  21          1HG       PRO  21  13.823   7.532  12.798
  149   2HG   PRO  21          2HG       PRO  21  15.125   8.508  12.040
  150   1HD   PRO  21          HD2       PRO  21  13.639   6.455  10.776
  151   2HD   PRO  21          HD3       PRO  21  15.243   7.037  10.236
  152    H    ASP  22           HN       ASP  22  16.128   5.031  15.372
  153    HA   ASP  22           HA       ASP  22  13.629   3.573  15.500
  154   1HB   ASP  22          1HB       ASP  22  14.555   3.147  17.930
  155   2HB   ASP  22          2HB       ASP  22  15.270   2.294  16.576
  156    HD2  ASP  22           HD2      ASP  22  18.227   3.010  17.464
  157    H    ASP  23           HN       ASP  23  13.145   6.257  15.128
  158    HA   ASP  23           HA       ASP  23  11.547   7.010  17.106
  159   1HB   ASP  23          1HB       ASP  23  14.382   7.642  17.769
  160   2HB   ASP  23          2HB       ASP  23  13.294   9.006  17.924
  161    HD2  ASP  23           HD2      ASP  23  12.795   8.699  20.681
  162    H    TRP  24           HN       TRP  24  10.823   7.522  14.796
  163    HA   TRP  24           HA       TRP  24  12.008   9.998  13.772
  164   1HB   TRP  24          1HB       TRP  24  11.788   7.842  12.371
  165   2HB   TRP  24          2HB       TRP  24  10.079   8.224  12.297
  166    HD1  TRP  24           HD1      TRP  24  13.292  10.399  11.694
  167    HE1  TRP  24           HE1      TRP  24  13.040  11.804   9.475
  168    HE3  TRP  24           HE3      TRP  24   8.664   8.664  10.498
  169    HZ2  TRP  24           HZ2      TRP  24  10.981  12.029   7.513
  170    HZ3  TRP  24           HZ3      TRP  24   7.603   9.527   8.414
  171    HH2  TRP  24           HH2      TRP  24   8.685  11.153   6.943
  172    H    ALA  25           HN       ALA  25  10.800  11.885  13.779
  173    HA   ALA  25           HA       ALA  25   7.990  11.610  14.599
  174   1HB   ALA  25          1HB       ALA  25   8.302  13.670  15.935
  175   2HB   ALA  25          2HB       ALA  25   9.377  12.364  16.490
  176   3HB   ALA  25          3HB       ALA  25  10.027  13.690  15.495
  177    H    CYS  26           HN       CYS  26   6.509  12.914  13.502
  178    HA   CYS  26           HA       CYS  26   7.113  13.665  10.944
  179   1HB   CYS  26          1HB       CYS  26   4.842  13.350  12.204
  180   2HB   CYS  26          2HB       CYS  26   4.958  15.075  12.484
  181    HA   PRO  27           HA       PRO  27   9.425  17.397  11.561
  182   1HB   PRO  27          1HB       PRO  27   9.489  18.240   8.971
  183   2HB   PRO  27          2HB       PRO  27  10.346  16.758   9.504
  184   1HG   PRO  27          1HG       PRO  27   7.487  16.790   8.127
  185   2HG   PRO  27          2HG       PRO  27   9.047  15.969   7.798
  186   1HD   PRO  27          HD2       PRO  27   7.012  14.900   9.379
  187   2HD   PRO  27          HD3       PRO  27   8.744  14.519   9.620
  188    H    VAL  28           HN       VAL  28   6.081  17.107  10.958
  189    HA   VAL  28           HA       VAL  28   5.800  20.026  10.795
  190    HB   VAL  28           HB       VAL  28   3.850  17.813  10.121
  191   1HG1  VAL  28          1HG1      VAL  28   3.463  20.637  10.650
  192   2HG1  VAL  28          2HG1      VAL  28   3.020  20.243   8.972
  193   3HG1  VAL  28          3HG1      VAL  28   2.260  19.367  10.323
  194   1HG2  VAL  28          1HG2      VAL  28   4.494  17.921   7.958
  195   2HG2  VAL  28          2HG2      VAL  28   4.764  19.680   8.016
  196   3HG2  VAL  28          3HG2      VAL  28   6.008  18.567   8.633
  197    H    CYS  29           HN       CYS  29   3.327  17.692  11.886
  198    HA   CYS  29           HA       CYS  29   2.558  19.144  14.049
  199   1HB   CYS  29          1HB       CYS  29   1.577  17.031  14.917
  200   2HB   CYS  29          2HB       CYS  29   1.172  17.400  13.252
  201    H    GLY  30           HN       GLY  30   4.932  16.398  13.883
  202   1HA   GLY  30          HA1       GLY  30   6.983  16.557  15.095
  203   2HA   GLY  30          HA2       GLY  30   6.150  17.430  16.366
  204    H    ALA  31           HN       ALA  31   3.811  15.306  15.650
  205    HA   ALA  31           HA       ALA  31   4.185  13.726  17.893
  206   1HB   ALA  31          1HB       ALA  31   2.548  13.142  15.393
  207   2HB   ALA  31          2HB       ALA  31   2.296  12.440  17.010
  208   3HB   ALA  31          3HB       ALA  31   2.026  14.179  16.742
  209    H    SER  32           HN       SER  32   4.388  11.268  17.904
  210    HA   SER  32           HA       SER  32   6.808  10.632  16.609
  211   1HB   SER  32          1HB       SER  32   6.567   8.449  17.752
  212   2HB   SER  32          2HB       SER  32   6.273   9.779  18.855
  213    HG   SER  32           HG       SER  32   3.884   9.397  18.119
  214    H    LYS  33           HN       LYS  33   6.931   8.284  15.498
  215    HA   LYS  33           HA       LYS  33   5.107   8.447  13.262
  216   1HB   LYS  33          1HB       LYS  33   6.613   6.841  12.214
  217   2HB   LYS  33          2HB       LYS  33   7.501   8.211  12.850
  218   1HG   LYS  33          1HG       LYS  33   8.806   6.750  13.990
  219   2HG   LYS  33          2HG       LYS  33   7.424   6.391  15.006
  220   1HD   LYS  33          HD2       LYS  33   6.914   4.417  13.875
  221   2HD   LYS  33          HD3       LYS  33   7.533   5.002  12.343
  222   1HE   LYS  33          2HE       LYS  33   9.459   4.535  14.636
  223   2HE   LYS  33          3HE       LYS  33   8.879   3.164  13.710
  224   1HZ   LYS  33          HZ1       LYS  33  10.758   5.177  12.919
  225   2HZ   LYS  33          HZ2       LYS  33  10.494   3.713  12.257
  226    H    ASP  34           HN       ASP  34   3.605   7.892  15.471
  227    HA   ASP  34           HA       ASP  34   3.299   5.003  15.415
  228   1HB   ASP  34          1HB       ASP  34   2.226   5.172  17.525
  229   2HB   ASP  34          2HB       ASP  34   3.527   6.343  17.618
  230    HD2  ASP  34           HD2      ASP  34   2.331   8.834  16.916
  231    H    ALA  35           HN       ALA  35   1.519   8.168  15.249
  232    HA   ALA  35           HA       ALA  35  -0.976   7.032  14.600
  233   1HB   ALA  35          1HB       ALA  35   0.069   9.548  15.261
  234   2HB   ALA  35          2HB       ALA  35  -0.536   9.742  13.599
  235   3HB   ALA  35          3HB       ALA  35  -1.628   9.169  14.881
  236    H    PHE  36           HN       PHE  36   1.977   7.421  12.837
  237    HA   PHE  36           HA       PHE  36   0.949   7.880  10.278
  238   1HB   PHE  36          1HB       PHE  36   3.425   6.659  11.565
  239   2HB   PHE  36          2HB       PHE  36   3.243   6.500   9.829
  240    HD1  PHE  36           HD1      PHE  36   3.335   9.037  12.544
  241    HD2  PHE  36           HD2      PHE  36   3.889   8.242   8.413
  242    HE1  PHE  36           HE1      PHE  36   4.300  11.333  12.232
  243    HE2  PHE  36           HE2      PHE  36   4.854  10.538   8.101
  244    HZ   PHE  36           HZ       PHE  36   5.048  12.056  10.014
  245    H    GLU  37           HN       GLU  37   0.055   6.553   8.734
  246    HA   GLU  37           HA       GLU  37  -0.192   3.758   9.523
  247   1HB   GLU  37          1HB       GLU  37  -2.224   5.500   9.049
  248   2HB   GLU  37          2HB       GLU  37  -1.987   4.908   7.417
  249   1HG   GLU  37          1HG       GLU  37  -2.004   2.790   9.519
  250   2HG   GLU  37          2HG       GLU  37  -3.523   3.642   9.327
  251    HE2  GLU  37           HE2      GLU  37  -1.672   1.215   8.051
  252    H    LYS  38           HN       LYS  38   0.053   2.099   7.867
  253    HA   LYS  38           HA       LYS  38   1.891   2.969   5.786
  254   1HB   LYS  38          1HB       LYS  38   2.425   1.095   7.405
  255   2HB   LYS  38          2HB       LYS  38   1.179   0.146   6.619
  256   1HG   LYS  38          1HG       LYS  38   2.352   0.437   4.421
  257   2HG   LYS  38          2HG       LYS  38   3.603   1.369   5.218
  258   1HD   LYS  38          HD2       LYS  38   4.650  -0.671   5.376
  259   2HD   LYS  38          HD3       LYS  38   3.651  -0.844   6.804
  260   1HE   LYS  38          2HE       LYS  38   2.755  -1.760   4.033
  261   2HE   LYS  38          3HE       LYS  38   3.581  -2.812   5.164
  262   1HZ   LYS  38          HZ1       LYS  38   0.849  -1.956   5.204
  263   2HZ   LYS  38          HZ2       LYS  38   1.537  -3.202   5.994
  264    H    GLN  39           HN       GLN  39   0.415   4.005   4.348
  265    HA   GLN  39           HA       GLN  39  -0.907   2.105   2.672
  266   1HB   GLN  39          1HB       GLN  39  -3.106   3.241   2.729
  267   2HB   GLN  39          2HB       GLN  39  -2.692   2.581   4.298
  268   1HG   GLN  39          1HG       GLN  39  -2.429   4.667   5.271
  269   2HG   GLN  39          2HG       GLN  39  -1.791   5.392   3.809
  270   1HE2  GLN  39          1HE2      GLN  39  -3.085   6.457   2.443
  271   2HE2  GLN  39          2HE2      GLN  39  -4.794   6.669   2.631
  Start of MODEL    9
    1   1H    MET   1           HN       MET   1   2.356  -0.331  -1.803
    2    HA   MET   1           HA       MET   1   2.781   1.610  -3.822
    3   1HB   MET   1          1HB       MET   1   0.374   1.740  -2.169
    4   2HB   MET   1          2HB       MET   1   1.406   3.100  -1.771
    5   1HG   MET   1          1HG       MET   1   1.611   3.449  -4.362
    6   2HG   MET   1          2HG       MET   1   0.236   2.370  -4.484
    7   1HE   MET   1          1HE       MET   1  -1.149   5.106  -5.559
    8   2HE   MET   1          2HE       MET   1  -0.279   6.415  -4.725
    9   3HE   MET   1          3HE       MET   1   0.629   5.087  -5.486
   10    H    ASP   2           HN       ASP   2   2.593   0.859  -0.293
   11    HA   ASP   2           HA       ASP   2   3.950   1.230   1.355
   12   1HB   ASP   2          1HB       ASP   2   6.214   1.844  -0.576
   13   2HB   ASP   2          2HB       ASP   2   6.319   1.090   1.004
   14    HD2  ASP   2           HD2      ASP   2   5.794  -2.074  -0.164
   15    H    ILE   3           HN       ILE   3   2.779   3.305   1.775
   16    HA   ILE   3           HA       ILE   3   4.547   5.595   1.377
   17    HB   ILE   3           HB       ILE   3   1.628   5.450   0.644
   18   1HG1  ILE   3          2HG1      ILE   3   3.748   6.653  -1.083
   19   2HG1  ILE   3          3HG1      ILE   3   3.718   4.907  -0.929
   20   1HG2  ILE   3          1HG2      ILE   3   2.943   7.612   1.913
   21   2HG2  ILE   3          2HG2      ILE   3   2.746   8.052   0.199
   22   3HG2  ILE   3          3HG2      ILE   3   1.327   7.582   1.166
   23   1HD1  ILE   3          1HD1      ILE   3   2.057   4.863  -2.466
   24   2HD1  ILE   3          2HD1      ILE   3   1.003   5.667  -1.277
   25   3HD1  ILE   3          3HD1      ILE   3   1.935   6.639  -2.442
   26    H    TYR   4           HN       TYR   4   4.664   6.933   3.089
   27    HA   TYR   4           HA       TYR   4   3.128   6.096   5.496
   28   1HB   TYR   4          1HB       TYR   4   5.833   7.387   5.087
   29   2HB   TYR   4          2HB       TYR   4   5.015   7.392   6.659
   30    HD1  TYR   4           HD1      TYR   4   4.568   5.249   7.843
   31    HD2  TYR   4           HD2      TYR   4   6.889   5.415   4.233
   32    HE1  TYR   4           HE1      TYR   4   5.468   2.989   8.320
   33    HE2  TYR   4           HE2      TYR   4   7.790   3.154   4.710
   34    HH   TYR   4           HH       TYR   4   7.506   1.234   6.022
   35    H    VAL   5           HN       VAL   5   1.221   7.377   5.311
   36    HA   VAL   5           HA       VAL   5   1.714  10.253   5.025
   37    HB   VAL   5           HB       VAL   5  -0.865   8.702   4.743
   38   1HG1  VAL   5          1HG1      VAL   5  -0.346  11.474   5.011
   39   2HG1  VAL   5          2HG1      VAL   5  -0.767  11.194   3.304
   40   3HG1  VAL   5          3HG1      VAL   5  -1.883  10.681   4.592
   41   1HG2  VAL   5          1HG2      VAL   5  -0.586   8.750   2.372
   42   2HG2  VAL   5          2HG2      VAL   5   0.860   9.780   2.495
   43   3HG2  VAL   5          3HG2      VAL   5   0.920   8.091   3.057
   44    H    CYS   6           HN       CYS   6   1.801  11.380   6.892
   45    HA   CYS   6           HA       CYS   6   1.257  10.310   9.353
   46   1HB   CYS   6          1HB       CYS   6   2.598  12.367   8.817
   47   2HB   CYS   6          2HB       CYS   6   1.089  13.242   8.641
   48    H    THR   7           HN       THR   7  -0.548  10.706  10.867
   49    HA   THR   7           HA       THR   7  -3.078  11.180   9.433
   50    HB   THR   7           HB       THR   7  -3.970   9.719  11.388
   51    HG1  THR   7           HG1      THR   7  -2.041   9.957  12.707
   52   1HG2  THR   7          1HG2      THR   7  -2.742   8.940   8.941
   53   2HG2  THR   7          2HG2      THR   7  -2.025   7.887  10.185
   54   3HG2  THR   7          3HG2      THR   7  -3.792   7.934   9.969
   55    H    VAL   8           HN       VAL   8  -0.985  12.985  10.982
   56    HA   VAL   8           HA       VAL   8  -2.958  14.125  12.832
   57    HB   VAL   8           HB       VAL   8   0.051  14.168  12.715
   58   1HG1  VAL   8          1HG1      VAL   8  -0.237  15.677  14.822
   59   2HG1  VAL   8          2HG1      VAL   8  -0.310  16.415  13.205
   60   3HG1  VAL   8          3HG1      VAL   8  -1.813  16.087  14.102
   61   1HG2  VAL   8          1HG2      VAL   8  -0.398  12.388  14.043
   62   2HG2  VAL   8          2HG2      VAL   8  -0.623  13.643  15.285
   63   3HG2  VAL   8          3HG2      VAL   8  -2.035  12.958  14.445
   64    H    CYS   9           HN       CYS   9  -0.410  15.018  10.400
   65    HA   CYS   9           HA       CYS   9  -1.947  17.463   9.934
   66   1HB   CYS   9          1HB       CYS   9   0.258  18.137   8.743
   67   2HB   CYS   9          2HB       CYS   9   0.131  18.229  10.489
   68    H    GLY  10           HN       GLY  10  -0.938  14.355   8.708
   69   1HA   GLY  10          HA1       GLY  10  -1.911  13.348   6.854
   70   2HA   GLY  10          HA2       GLY  10  -2.282  14.918   6.170
   71    H    TYR  11           HN       TYR  11   0.820  14.953   7.478
   72    HA   TYR  11           HA       TYR  11   2.255  15.559   5.250
   73   1HB   TYR  11          1HB       TYR  11   3.053  15.461   7.635
   74   2HB   TYR  11          2HB       TYR  11   3.256  13.712   7.439
   75    HD1  TYR  11           HD1      TYR  11   5.528  13.242   7.415
   76    HD2  TYR  11           HD2      TYR  11   4.058  16.590   5.161
   77    HE1  TYR  11           HE1      TYR  11   7.796  13.607   6.479
   78    HE2  TYR  11           HE2      TYR  11   6.326  16.955   4.225
   79    HH   TYR  11           HH       TYR  11   9.031  15.994   5.368
   80    H    GLU  12           HN       GLU  12   3.674  14.348   3.741
   81    HA   GLU  12           HA       GLU  12   2.798  11.581   3.474
   82   1HB   GLU  12          1HB       GLU  12   2.686  13.807   1.498
   83   2HB   GLU  12          2HB       GLU  12   3.331  12.303   0.872
   84   1HG   GLU  12          1HG       GLU  12   1.276  11.332   0.853
   85   2HG   GLU  12          2HG       GLU  12   0.983  11.768   2.526
   86    HE2  GLU  12           HE2      GLU  12  -0.290  13.855   2.783
   87    H    TYR  13           HN       TYR  13   4.419  10.174   3.439
   88    HA   TYR  13           HA       TYR  13   7.131  11.153   2.681
   89   1HB   TYR  13          1HB       TYR  13   7.019  10.931   5.093
   90   2HB   TYR  13          2HB       TYR  13   6.306   9.315   4.951
   91    HD1  TYR  13           HD1      TYR  13   7.668   7.388   4.305
   92    HD2  TYR  13           HD2      TYR  13   9.393  11.299   4.727
   93    HE1  TYR  13           HE1      TYR  13   9.936   6.385   4.333
   94    HE2  TYR  13           HE2      TYR  13  11.661  10.296   4.755
   95    HH   TYR  13           HH       TYR  13  12.877   8.349   4.811
   96    H    ASP  14           HN       ASP  14   8.619   9.336   1.932
   97    HA   ASP  14           HA       ASP  14   7.007   7.174   0.827
   98   1HB   ASP  14          1HB       ASP  14   7.933   9.112  -0.758
   99   2HB   ASP  14          2HB       ASP  14   9.449   8.248  -0.605
  100    HD2  ASP  14           HD2      ASP  14   6.312   8.072  -2.024
  101    HA   PRO  15           HA       PRO  15  10.225   4.726   2.705
  102   1HB   PRO  15          1HB       PRO  15   9.571   2.301   1.621
  103   2HB   PRO  15          2HB       PRO  15   8.513   3.138   2.803
  104   1HG   PRO  15          1HG       PRO  15   7.973   3.023  -0.325
  105   2HG   PRO  15          2HG       PRO  15   7.237   2.847   1.301
  106   1HD   PRO  15          HD2       PRO  15   7.534   5.255  -0.325
  107   2HD   PRO  15          HD3       PRO  15   6.838   5.123   1.319
  108    H    ALA  16           HN       ALA  16  12.238   5.456   1.834
  109    HA   ALA  16           HA       ALA  16  13.660   3.853   0.213
  110   1HB   ALA  16          1HB       ALA  16  13.495   5.519  -1.927
  111   2HB   ALA  16          2HB       ALA  16  12.549   4.018  -1.776
  112   3HB   ALA  16          3HB       ALA  16  11.810   5.581  -1.356
  113    H    PHE  17           HN       PHE  17  14.673   4.907   2.241
  114    HA   PHE  17           HA       PHE  17  16.330   7.079   1.278
  115   1HB   PHE  17          1HB       PHE  17  14.394   7.087   3.641
  116   2HB   PHE  17          2HB       PHE  17  15.856   8.049   3.744
  117    HD1  PHE  17           HD1      PHE  17  12.842   7.518   1.633
  118    HD2  PHE  17           HD2      PHE  17  15.925  10.187   2.807
  119    HE1  PHE  17           HE1      PHE  17  11.708   9.378   0.387
  120    HE2  PHE  17           HE2      PHE  17  14.790  12.047   1.562
  121    HZ   PHE  17           HZ       PHE  17  12.695  11.620   0.366
  122    H    GLU  18           HN       GLU  18  17.767   7.667   3.549
  123    HA   GLU  18           HA       GLU  18  18.611   5.050   4.510
  124   1HB   GLU  18          1HB       GLU  18  20.090   6.103   2.646
  125   2HB   GLU  18          2HB       GLU  18  20.582   7.268   3.859
  126   1HG   GLU  18          1HG       GLU  18  20.686   4.407   4.724
  127   2HG   GLU  18          2HG       GLU  18  21.820   4.847   3.462
  128    HE2  GLU  18           HE2      GLU  18  22.918   7.424   4.544
  129    H    ASP  19           HN       ASP  19  16.929   6.161   6.150
  130    HA   ASP  19           HA       ASP  19  18.393   6.756   8.403
  131   1HB   ASP  19          1HB       ASP  19  18.542   8.982   7.013
  132   2HB   ASP  19          2HB       ASP  19  16.858   9.198   7.444
  133    HD2  ASP  19           HD2      ASP  19  17.564  10.300  10.601
  134    H    LEU  20           HN       LEU  20  16.893   5.263   9.342
  135    HA   LEU  20           HA       LEU  20  14.235   6.354   9.791
  136   1HB   LEU  20          1HB       LEU  20  14.396   4.717   7.750
  137   2HB   LEU  20          2HB       LEU  20  14.462   3.479   8.989
  138    HG   LEU  20           HG       LEU  20  12.306   4.956   9.825
  139   1HD1  LEU  20          1HD1      LEU  20  11.065   4.892   7.398
  140   2HD1  LEU  20          2HD1      LEU  20  11.737   6.352   8.163
  141   3HD1  LEU  20          3HD1      LEU  20  12.689   5.465   6.948
  142   1HD2  LEU  20          1HD2      LEU  20  11.809   2.779   7.842
  143   2HD2  LEU  20          2HD2      LEU  20  12.757   2.398   9.300
  144   3HD2  LEU  20          3HD2      LEU  20  11.107   3.050   9.456
  145    HA   PRO  21           HA       PRO  21  16.235   4.691  13.554
  146   1HB   PRO  21          1HB       PRO  21  15.920   6.906  15.095
  147   2HB   PRO  21          2HB       PRO  21  17.199   6.813  13.842
  148   1HG   PRO  21          1HG       PRO  21  14.487   8.036  13.662
  149   2HG   PRO  21          2HG       PRO  21  16.028   8.806  13.161
  150   1HD   PRO  21          HD2       PRO  21  14.333   7.573  11.375
  151   2HD   PRO  21          HD3       PRO  21  16.111   7.512  11.179
  152    H    ASP  22           HN       ASP  22  15.166   4.469  15.824
  153    HA   ASP  22           HA       ASP  22  12.364   4.034  15.329
  154   1HB   ASP  22          1HB       ASP  22  13.428   3.392  18.019
  155   2HB   ASP  22          2HB       ASP  22  12.519   2.381  16.914
  156    HD2  ASP  22           HD2      ASP  22  16.335   2.138  17.473
  157    H    ASP  23           HN       ASP  23  13.229   6.799  15.542
  158    HA   ASP  23           HA       ASP  23  11.563   7.591  17.701
  159   1HB   ASP  23          1HB       ASP  23  14.109   7.299  18.498
  160   2HB   ASP  23          2HB       ASP  23  14.310   8.853  17.712
  161    HD2  ASP  23           HD2      ASP  23  13.115  10.600  20.297
  162    H    TRP  24           HN       TRP  24  11.158   7.866  14.973
  163    HA   TRP  24           HA       TRP  24  12.174  10.488  14.201
  164   1HB   TRP  24          1HB       TRP  24  12.241   8.450  12.684
  165   2HB   TRP  24          2HB       TRP  24  10.499   8.595  12.557
  166    HD1  TRP  24           HD1      TRP  24  13.292  11.333  12.255
  167    HE1  TRP  24           HE1      TRP  24  12.959  12.740  10.047
  168    HE3  TRP  24           HE3      TRP  24   9.242   8.748  10.593
  169    HZ2  TRP  24           HZ2      TRP  24  11.082  12.617   7.902
  170    HZ3  TRP  24           HZ3      TRP  24   8.218   9.456   8.432
  171    HH2  TRP  24           HH2      TRP  24   9.074  11.318   7.100
  172    H    ALA  25           HN       ALA  25  10.770  12.270  13.864
  173    HA   ALA  25           HA       ALA  25   7.970  11.818  14.620
  174   1HB   ALA  25          1HB       ALA  25   8.326  12.965  16.520
  175   2HB   ALA  25          2HB       ALA  25  10.012  13.298  16.059
  176   3HB   ALA  25          3HB       ALA  25   8.711  14.391  15.528
  177    H    CYS  26           HN       CYS  26   6.490  12.873  13.326
  178    HA   CYS  26           HA       CYS  26   7.140  13.645  10.829
  179   1HB   CYS  26          1HB       CYS  26   4.847  13.243  11.907
  180   2HB   CYS  26          2HB       CYS  26   4.874  14.942  12.334
  181    HA   PRO  27           HA       PRO  27   9.801  17.160  11.735
  182   1HB   PRO  27          1HB       PRO  27   9.300  17.373   8.742
  183   2HB   PRO  27          2HB       PRO  27  10.819  17.528   9.684
  184   1HG   PRO  27          1HG       PRO  27  10.340  15.196   8.461
  185   2HG   PRO  27          2HG       PRO  27  11.067  15.112  10.099
  186   1HD   PRO  27          HD2       PRO  27   8.200  14.695   9.190
  187   2HD   PRO  27          HD3       PRO  27   9.092  13.901  10.521
  188    H    VAL  28           HN       VAL  28   6.564  17.015  10.281
  189    HA   VAL  28           HA       VAL  28   6.340  19.889  10.185
  190    HB   VAL  28           HB       VAL  28   4.371  17.639   9.730
  191   1HG1  VAL  28          1HG1      VAL  28   3.308  19.795   8.447
  192   2HG1  VAL  28          2HG1      VAL  28   2.834  19.259  10.077
  193   3HG1  VAL  28          3HG1      VAL  28   4.019  20.573   9.880
  194   1HG2  VAL  28          1HG2      VAL  28   5.247  17.470   7.688
  195   2HG2  VAL  28          2HG2      VAL  28   4.937  19.197   7.393
  196   3HG2  VAL  28          3HG2      VAL  28   6.477  18.681   8.119
  197    H    CYS  29           HN       CYS  29   3.826  17.746  11.551
  198    HA   CYS  29           HA       CYS  29   3.254  19.516  13.607
  199   1HB   CYS  29          1HB       CYS  29   1.925  17.644  14.557
  200   2HB   CYS  29          2HB       CYS  29   1.580  18.009  12.878
  201    H    GLY  30           HN       GLY  30   5.179  16.442  13.492
  202   1HA   GLY  30          HA1       GLY  30   7.258  16.420  14.731
  203   2HA   GLY  30          HA2       GLY  30   6.446  17.261  16.037
  204    H    ALA  31           HN       ALA  31   3.949  15.443  15.226
  205    HA   ALA  31           HA       ALA  31   3.971  13.740  17.306
  206   1HB   ALA  31          1HB       ALA  31   2.329  14.266  15.158
  207   2HB   ALA  31          2HB       ALA  31   2.795  12.575  14.856
  208   3HB   ALA  31          3HB       ALA  31   2.022  13.022  16.395
  209    H    SER  32           HN       SER  32   4.260  11.346  17.453
  210    HA   SER  32           HA       SER  32   6.829  10.690  16.508
  211   1HB   SER  32          1HB       SER  32   6.174   8.391  17.558
  212   2HB   SER  32          2HB       SER  32   6.331   9.779  18.615
  213    HG   SER  32           HG       SER  32   3.843   8.791  17.502
  214    H    LYS  33           HN       LYS  33   7.194   8.403  15.435
  215    HA   LYS  33           HA       LYS  33   5.591   8.400  13.032
  216   1HB   LYS  33          1HB       LYS  33   7.301   6.777  12.242
  217   2HB   LYS  33          2HB       LYS  33   7.969   8.317  12.747
  218   1HG   LYS  33          1HG       LYS  33   9.264   7.301  14.306
  219   2HG   LYS  33          2HG       LYS  33   7.857   6.575  15.057
  220   1HD   LYS  33          HD2       LYS  33   9.340   4.778  14.351
  221   2HD   LYS  33          HD3       LYS  33   7.918   4.738  13.329
  222   1HE   LYS  33          2HE       LYS  33   9.250   6.188  11.649
  223   2HE   LYS  33          3HE       LYS  33  10.666   5.856  12.626
  224   1HZ   LYS  33          HZ1       LYS  33  10.781   4.043  11.277
  225   2HZ   LYS  33          HZ2       LYS  33   9.693   3.384  12.294
  226    H    ASP  34           HN       ASP  34   3.915   7.779  15.089
  227    HA   ASP  34           HA       ASP  34   3.726   4.876  14.887
  228   1HB   ASP  34          1HB       ASP  34   4.046   5.753  17.210
  229   2HB   ASP  34          2HB       ASP  34   2.620   6.755  17.028
  230    HD2  ASP  34           HD2      ASP  34   3.183   3.193  16.640
  231    H    ALA  35           HN       ALA  35   1.950   8.036  15.070
  232    HA   ALA  35           HA       ALA  35  -0.592   7.021  14.506
  233   1HB   ALA  35          1HB       ALA  35   0.654   9.520  15.022
  234   2HB   ALA  35          2HB       ALA  35  -0.208   9.696  13.474
  235   3HB   ALA  35          3HB       ALA  35  -1.089   9.171  14.928
  236    H    PHE  36           HN       PHE  36   2.259   7.478  12.533
  237    HA   PHE  36           HA       PHE  36   1.051   7.905  10.061
  238   1HB   PHE  36          1HB       PHE  36   3.616   6.643  11.136
  239   2HB   PHE  36          2HB       PHE  36   3.309   6.587   9.412
  240    HD1  PHE  36           HD1      PHE  36   3.768   8.893  12.270
  241    HD2  PHE  36           HD2      PHE  36   3.696   8.475   8.048
  242    HE1  PHE  36           HE1      PHE  36   4.718  11.204  12.025
  243    HE2  PHE  36           HE2      PHE  36   4.646  10.786   7.802
  244    HZ   PHE  36           HZ       PHE  36   5.145  12.122   9.794
  245    H    GLU  37           HN       GLU  37   0.085   6.576   8.557
  246    HA   GLU  37           HA       GLU  37  -0.132   3.786   9.370
  247   1HB   GLU  37          1HB       GLU  37  -2.246   5.208   9.228
  248   2HB   GLU  37          2HB       GLU  37  -1.985   5.320   7.499
  249   1HG   GLU  37          1HG       GLU  37  -3.563   3.475   8.087
  250   2HG   GLU  37          2HG       GLU  37  -2.139   2.880   7.255
  251    HE2  GLU  37           HE2      GLU  37  -2.723   2.061  11.131
  252    H    LYS  38           HN       LYS  38   0.310   2.117   7.866
  253    HA   LYS  38           HA       LYS  38   1.818   3.032   5.543
  254   1HB   LYS  38          1HB       LYS  38   2.923   1.518   7.145
  255   2HB   LYS  38          2HB       LYS  38   1.682   0.312   6.878
  256   1HG   LYS  38          1HG       LYS  38   3.044   1.392   4.429
  257   2HG   LYS  38          2HG       LYS  38   4.012   0.371   5.475
  258   1HD   LYS  38          HD2       LYS  38   1.467  -0.917   5.230
  259   2HD   LYS  38          HD3       LYS  38   1.911  -0.398   3.616
  260   1HE   LYS  38          2HE       LYS  38   4.100  -1.664   5.227
  261   2HE   LYS  38          3HE       LYS  38   2.793  -2.728   4.747
  262   1HZ   LYS  38          HZ1       LYS  38   4.445  -1.072   2.918
  263   2HZ   LYS  38          HZ2       LYS  38   4.444  -2.698   3.013
  264    H    GLN  39           HN       GLN  39   0.060   3.656   4.187
  265    HA   GLN  39           HA       GLN  39  -1.608   1.398   3.395
  266   1HB   GLN  39          1HB       GLN  39  -2.675   3.555   4.365
  267   2HB   GLN  39          2HB       GLN  39  -2.225   4.325   2.856
  268   1HG   GLN  39          1HG       GLN  39  -3.416   2.057   1.880
  269   2HG   GLN  39          2HG       GLN  39  -4.309   2.239   3.377
  270   1HE2  GLN  39          1HE2      GLN  39  -5.624   3.997   3.720
  271   2HE2  GLN  39          2HE2      GLN  39  -6.122   5.083   2.466
  Start of MODEL   10
    1   1H    MET   1           HN       MET   1   7.134   3.644  -2.555
    2    HA   MET   1           HA       MET   1   5.584   2.339  -4.441
    3   1HB   MET   1          1HB       MET   1   7.671   0.700  -3.518
    4   2HB   MET   1          2HB       MET   1   6.349   0.246  -2.460
    5   1HG   MET   1          1HG       MET   1   5.659   0.480  -5.368
    6   2HG   MET   1          2HG       MET   1   6.737  -0.837  -4.948
    7   1HE   MET   1          1HE       MET   1   5.756  -2.824  -5.079
    8   2HE   MET   1          2HE       MET   1   5.900  -2.992  -3.312
    9   3HE   MET   1          3HE       MET   1   4.391  -3.459  -4.131
   10    H    ASP   2           HN       ASP   2   6.532   2.266  -0.937
   11    HA   ASP   2           HA       ASP   2   3.755   2.109  -0.228
   12   1HB   ASP   2          1HB       ASP   2   6.104   1.202   0.940
   13   2HB   ASP   2          2HB       ASP   2   5.780   2.638   1.892
   14    HD2  ASP   2           HD2      ASP   2   4.191   0.061   3.691
   15    H    ILE   3           HN       ILE   3   2.918   3.739   1.484
   16    HA   ILE   3           HA       ILE   3   4.264   6.326   1.288
   17    HB   ILE   3           HB       ILE   3   1.354   5.799   0.682
   18   1HG1  ILE   3          2HG1      ILE   3   2.797   7.354  -1.276
   19   2HG1  ILE   3          3HG1      ILE   3   3.640   5.845  -0.986
   20   1HG2  ILE   3          1HG2      ILE   3   0.863   8.008   0.859
   21   2HG2  ILE   3          2HG2      ILE   3   2.145   7.924   2.091
   22   3HG2  ILE   3          3HG2      ILE   3   2.517   8.530   0.459
   23   1HD1  ILE   3          1HD1      ILE   3   0.665   5.637  -1.223
   24   2HD1  ILE   3          2HD1      ILE   3   1.547   6.065  -2.708
   25   3HD1  ILE   3          3HD1      ILE   3   1.935   4.556  -1.847
   26    H    TYR   4           HN       TYR   4   4.291   7.443   3.135
   27    HA   TYR   4           HA       TYR   4   2.820   6.251   5.440
   28   1HB   TYR   4          1HB       TYR   4   5.583   7.334   5.077
   29   2HB   TYR   4          2HB       TYR   4   4.781   7.632   6.628
   30    HD1  TYR   4           HD1      TYR   4   5.985   6.250   8.105
   31    HD2  TYR   4           HD2      TYR   4   4.467   4.627   4.429
   32    HE1  TYR   4           HE1      TYR   4   6.597   3.968   8.858
   33    HE2  TYR   4           HE2      TYR   4   5.080   2.346   5.182
   34    HH   TYR   4           HH       TYR   4   6.258   1.121   6.765
   35    H    VAL   5           HN       VAL   5   0.915   7.634   4.901
   36    HA   VAL   5           HA       VAL   5   1.388  10.483   5.060
   37    HB   VAL   5           HB       VAL   5  -1.070   8.778   4.641
   38   1HG1  VAL   5          1HG1      VAL   5  -1.653  11.408   3.865
   39   2HG1  VAL   5          2HG1      VAL   5  -2.302  10.532   5.272
   40   3HG1  VAL   5          3HG1      VAL   5  -0.860  11.561   5.452
   41   1HG2  VAL   5          1HG2      VAL   5  -0.095   8.671   2.596
   42   2HG2  VAL   5          2HG2      VAL   5  -0.815  10.287   2.408
   43   3HG2  VAL   5          3HG2      VAL   5   0.896  10.124   2.869
   44    H    CYS   6           HN       CYS   6   1.495  11.542   6.966
   45    HA   CYS   6           HA       CYS   6   1.080  10.283   9.390
   46   1HB   CYS   6          1HB       CYS   6   2.449  12.346   8.923
   47   2HB   CYS   6          2HB       CYS   6   0.955  13.260   8.889
   48    H    THR   7           HN       THR   7  -0.658  10.554  10.980
   49    HA   THR   7           HA       THR   7  -3.228  11.212   9.699
   50    HB   THR   7           HB       THR   7  -4.109   9.612  11.501
   51    HG1  THR   7           HG1      THR   7  -2.155   9.861  12.845
   52   1HG2  THR   7          1HG2      THR   7  -2.976   7.517  10.499
   53   2HG2  THR   7          2HG2      THR   7  -3.797   8.577   9.329
   54   3HG2  THR   7          3HG2      THR   7  -2.025   8.634   9.490
   55    H    VAL   8           HN       VAL   8  -1.095  12.940  11.173
   56    HA   VAL   8           HA       VAL   8  -2.946  13.955  13.216
   57    HB   VAL   8           HB       VAL   8   0.065  14.105  12.991
   58   1HG1  VAL   8          1HG1      VAL   8  -0.417  16.172  13.928
   59   2HG1  VAL   8          2HG1      VAL   8  -1.878  15.578  14.754
   60   3HG1  VAL   8          3HG1      VAL   8  -0.266  15.145  15.374
   61   1HG2  VAL   8          1HG2      VAL   8  -0.057  12.896  15.200
   62   2HG2  VAL   8          2HG2      VAL   8  -1.801  12.682  14.912
   63   3HG2  VAL   8          3HG2      VAL   8  -0.620  11.956  13.796
   64    H    CYS   9           HN       CYS   9  -0.456  14.952  10.765
   65    HA   CYS   9           HA       CYS   9  -1.944  17.459  10.517
   66   1HB   CYS   9          1HB       CYS   9   0.275  18.096   9.259
   67   2HB   CYS   9          2HB       CYS   9   0.139  18.199  11.003
   68    H    GLY  10           HN       GLY  10  -1.059  14.418   9.052
   69   1HA   GLY  10          HA1       GLY  10  -2.104  13.558   7.168
   70   2HA   GLY  10          HA2       GLY  10  -2.476  15.177   6.609
   71    H    TYR  11           HN       TYR  11   0.684  15.004   7.813
   72    HA   TYR  11           HA       TYR  11   2.061  15.787   5.604
   73   1HB   TYR  11          1HB       TYR  11   2.966  15.448   7.908
   74   2HB   TYR  11          2HB       TYR  11   3.036  13.707   7.589
   75    HD1  TYR  11           HD1      TYR  11   5.313  13.179   7.567
   76    HD2  TYR  11           HD2      TYR  11   3.912  16.580   5.348
   77    HE1  TYR  11           HE1      TYR  11   7.564  13.452   6.563
   78    HE2  TYR  11           HE2      TYR  11   6.163  16.852   4.345
   79    HH   TYR  11           HH       TYR  11   8.847  14.604   5.061
   80    H    GLU  12           HN       GLU  12   3.206  14.782   3.819
   81    HA   GLU  12           HA       GLU  12   2.261  12.063   3.334
   82   1HB   GLU  12          1HB       GLU  12   2.173  14.498   1.642
   83   2HB   GLU  12          2HB       GLU  12   2.797  13.086   0.813
   84   1HG   GLU  12          1HG       GLU  12   0.317  12.730   2.487
   85   2HG   GLU  12          2HG       GLU  12   0.152  13.597   0.975
   86    HE2  GLU  12           HE2      GLU  12  -0.125  11.503  -0.918
   87    H    TYR  13           HN       TYR  13   3.867  10.657   3.421
   88    HA   TYR  13           HA       TYR  13   6.552  11.497   2.435
   89   1HB   TYR  13          1HB       TYR  13   6.441  11.363   4.915
   90   2HB   TYR  13          2HB       TYR  13   5.914   9.677   4.781
   91    HD1  TYR  13           HD1      TYR  13   7.502   7.983   4.851
   92    HD2  TYR  13           HD2      TYR  13   8.707  11.942   3.698
   93    HE1  TYR  13           HE1      TYR  13   9.869   7.246   4.797
   94    HE2  TYR  13           HE2      TYR  13  11.074  11.204   3.642
   95    HH   TYR  13           HH       TYR  13  12.526   9.405   4.586
   96    H    ASP  14           HN       ASP  14   7.919   9.608   1.661
   97    HA   ASP  14           HA       ASP  14   6.207   7.395   0.868
   98   1HB   ASP  14          1HB       ASP  14   6.783   9.224  -0.957
   99   2HB   ASP  14          2HB       ASP  14   8.372   8.486  -0.957
  100    HD2  ASP  14           HD2      ASP  14   4.960   7.125  -1.997
  101    HA   PRO  15           HA       PRO  15   9.653   5.771   3.460
  102   1HB   PRO  15          1HB       PRO  15   8.167   3.361   2.320
  103   2HB   PRO  15          2HB       PRO  15   8.882   3.621   3.945
  104   1HG   PRO  15          1HG       PRO  15   6.260   4.061   3.504
  105   2HG   PRO  15          2HG       PRO  15   7.081   5.122   4.694
  106   1HD   PRO  15          HD2       PRO  15   6.074   5.720   1.946
  107   2HD   PRO  15          HD3       PRO  15   6.540   6.856   3.249
  108    H    ALA  16           HN       ALA  16  11.632   6.028   2.381
  109    HA   ALA  16           HA       ALA  16  12.622   4.065   0.763
  110   1HB   ALA  16          1HB       ALA  16  12.593   5.657  -1.418
  111   2HB   ALA  16          2HB       ALA  16  11.358   4.411  -1.119
  112   3HB   ALA  16          3HB       ALA  16  11.024   6.111  -0.713
  113    H    PHE  17           HN       PHE  17  14.003   4.918   2.647
  114    HA   PHE  17           HA       PHE  17  15.856   6.858   1.509
  115   1HB   PHE  17          1HB       PHE  17  14.077   7.097   3.885
  116   2HB   PHE  17          2HB       PHE  17  15.760   7.328   4.314
  117    HD1  PHE  17           HD1      PHE  17  16.544   9.488   4.279
  118    HD2  PHE  17           HD2      PHE  17  13.399   8.433   1.632
  119    HE1  PHE  17           HE1      PHE  17  16.424  11.863   3.475
  120    HE2  PHE  17           HE2      PHE  17  13.280  10.808   0.827
  121    HZ   PHE  17           HZ       PHE  17  14.793  12.495   1.759
  122    H    GLU  18           HN       GLU  18  17.613   7.025   3.707
  123    HA   GLU  18           HA       GLU  18  18.348   4.218   4.013
  124   1HB   GLU  18          1HB       GLU  18  19.777   5.842   2.490
  125   2HB   GLU  18          2HB       GLU  18  20.393   6.448   4.015
  126   1HG   GLU  18          1HG       GLU  18  20.590   3.732   4.440
  127   2HG   GLU  18          2HG       GLU  18  20.838   3.801   2.707
  128    HE2  GLU  18           HE2      GLU  18  23.448   3.354   4.097
  129    H    ASP  19           HN       ASP  19  18.784   7.546   5.409
  130    HA   ASP  19           HA       ASP  19  19.486   6.446   7.926
  131   1HB   ASP  19          1HB       ASP  19  19.833   8.892   6.661
  132   2HB   ASP  19          2HB       ASP  19  18.565   9.275   7.809
  133    HD2  ASP  19           HD2      ASP  19  21.480  10.315   8.871
  134    H    LEU  20           HN       LEU  20  17.753   5.319   8.912
  135    HA   LEU  20           HA       LEU  20  15.362   6.921   9.433
  136   1HB   LEU  20          1HB       LEU  20  15.074   5.298   7.490
  137   2HB   LEU  20          2HB       LEU  20  15.222   4.009   8.668
  138    HG   LEU  20           HG       LEU  20  13.196   6.151   9.178
  139   1HD1  LEU  20          1HD1      LEU  20  12.222   5.867   7.190
  140   2HD1  LEU  20          2HD1      LEU  20  13.217   4.442   6.804
  141   3HD1  LEU  20          3HD1      LEU  20  11.746   4.260   7.789
  142   1HD2  LEU  20          1HD2      LEU  20  12.646   4.755  10.808
  143   2HD2  LEU  20          2HD2      LEU  20  12.227   3.515   9.601
  144   3HD2  LEU  20          3HD2      LEU  20  13.880   3.595  10.258
  145    HA   PRO  21           HA       PRO  21  17.449   5.623  13.306
  146   1HB   PRO  21          1HB       PRO  21  15.478   7.800  14.092
  147   2HB   PRO  21          2HB       PRO  21  17.157   7.495  14.642
  148   1HG   PRO  21          1HG       PRO  21  16.775   9.432  12.743
  149   2HG   PRO  21          2HG       PRO  21  18.163   8.302  12.617
  150   1HD   PRO  21          HD2       PRO  21  15.437   8.238  11.239
  151   2HD   PRO  21          HD3       PRO  21  17.054   7.898  10.552
  152    H    ASP  22           HN       ASP  22  16.292   4.981  15.490
  153    HA   ASP  22           HA       ASP  22  13.972   3.469  14.678
  154   1HB   ASP  22          1HB       ASP  22  14.354   2.578  17.156
  155   2HB   ASP  22          2HB       ASP  22  15.381   2.032  15.846
  156    HD2  ASP  22           HD2      ASP  22  17.389   2.054  16.375
  157    H    ASP  23           HN       ASP  23  13.617   6.326  14.947
  158    HA   ASP  23           HA       ASP  23  11.478   6.362  16.736
  159   1HB   ASP  23          1HB       ASP  23  12.579   8.427  18.032
  160   2HB   ASP  23          2HB       ASP  23  12.779   6.783  18.608
  161    HD2  ASP  23           HD2      ASP  23  14.851   8.203  15.962
  162    H    TRP  24           HN       TRP  24  11.590   6.877  14.039
  163    HA   TRP  24           HA       TRP  24  12.260   9.517  13.336
  164   1HB   TRP  24          1HB       TRP  24  11.889   7.400  11.884
  165   2HB   TRP  24          2HB       TRP  24  10.198   7.859  11.915
  166    HD1  TRP  24           HD1      TRP  24  13.439   9.975  11.264
  167    HE1  TRP  24           HE1      TRP  24  13.147  11.449   9.095
  168    HE3  TRP  24           HE3      TRP  24   8.755   8.340  10.145
  169    HZ2  TRP  24           HZ2      TRP  24  11.038  11.759   7.197
  170    HZ3  TRP  24           HZ3      TRP  24   7.651   9.279   8.118
  171    HH2  TRP  24           HH2      TRP  24   8.715  10.931   6.666
  172    H    ALA  25           HN       ALA  25  11.023  11.412  13.345
  173    HA   ALA  25           HA       ALA  25   8.294  11.149  14.395
  174   1HB   ALA  25          1HB       ALA  25   8.849  12.318  16.229
  175   2HB   ALA  25          2HB       ALA  25  10.554  12.249  15.725
  176   3HB   ALA  25          3HB       ALA  25   9.534  13.620  15.227
  177    H    CYS  26           HN       CYS  26   6.760  12.434  13.379
  178    HA   CYS  26           HA       CYS  26   7.200  13.259  10.827
  179   1HB   CYS  26          1HB       CYS  26   4.994  12.887  11.886
  180   2HB   CYS  26          2HB       CYS  26   5.169  14.396  12.762
  181    HA   PRO  27           HA       PRO  27   9.605  16.946  11.337
  182   1HB   PRO  27          1HB       PRO  27   9.510  17.849   8.781
  183   2HB   PRO  27          2HB       PRO  27  10.339  16.313   9.196
  184   1HG   PRO  27          1HG       PRO  27   7.335  16.478   8.102
  185   2HG   PRO  27          2HG       PRO  27   8.820  15.636   7.553
  186   1HD   PRO  27          HD2       PRO  27   6.982  14.523   9.311
  187   2HD   PRO  27          HD3       PRO  27   8.731  14.144   9.374
  188    H    VAL  28           HN       VAL  28   6.227  16.722  11.040
  189    HA   VAL  28           HA       VAL  28   6.000  19.653  11.013
  190    HB   VAL  28           HB       VAL  28   3.951  17.555  10.272
  191   1HG1  VAL  28          1HG1      VAL  28   3.723  20.508   9.712
  192   2HG1  VAL  28          2HG1      VAL  28   2.448  19.268   9.779
  193   3HG1  VAL  28          3HG1      VAL  28   3.216  19.839  11.281
  194   1HG2  VAL  28          1HG2      VAL  28   5.908  17.830   8.682
  195   2HG2  VAL  28          2HG2      VAL  28   4.297  18.132   7.987
  196   3HG2  VAL  28          3HG2      VAL  28   5.351  19.500   8.417
  197    H    CYS  29           HN       CYS  29   3.461  17.363  12.000
  198    HA   CYS  29           HA       CYS  29   2.800  18.647  14.281
  199   1HB   CYS  29          1HB       CYS  29   1.838  16.473  15.047
  200   2HB   CYS  29          2HB       CYS  29   1.357  16.986  13.441
  201    H    GLY  30           HN       GLY  30   5.236  16.010  13.800
  202   1HA   GLY  30          HA1       GLY  30   7.281  16.022  14.978
  203   2HA   GLY  30          HA2       GLY  30   6.508  16.836  16.324
  204    H    ALA  31           HN       ALA  31   4.174  14.690  15.423
  205    HA   ALA  31           HA       ALA  31   4.512  13.038  17.626
  206   1HB   ALA  31          1HB       ALA  31   3.012  11.953  15.301
  207   2HB   ALA  31          2HB       ALA  31   2.485  12.221  16.980
  208   3HB   ALA  31          3HB       ALA  31   2.526  13.580  15.832
  209    H    SER  32           HN       SER  32   4.755  10.579  17.531
  210    HA   SER  32           HA       SER  32   7.202  10.063  16.169
  211   1HB   SER  32          1HB       SER  32   7.284   8.038  17.467
  212   2HB   SER  32          2HB       SER  32   6.664   9.290  18.523
  213    HG   SER  32           HG       SER  32   5.018   7.396  17.073
  214    H    LYS  33           HN       LYS  33   7.293   7.577  15.232
  215    HA   LYS  33           HA       LYS  33   5.465   7.647  13.007
  216   1HB   LYS  33          1HB       LYS  33   6.887   5.982  12.037
  217   2HB   LYS  33          2HB       LYS  33   7.902   7.225  12.740
  218   1HG   LYS  33          1HG       LYS  33   7.234   5.027  14.625
  219   2HG   LYS  33          2HG       LYS  33   8.144   4.498  13.223
  220   1HD   LYS  33          HD2       LYS  33   9.687   6.581  13.740
  221   2HD   LYS  33          HD3       LYS  33   8.939   6.537  15.325
  222   1HE   LYS  33          2HE       LYS  33   9.930   3.908  14.277
  223   2HE   LYS  33          3HE       LYS  33  11.165   5.088  14.670
  224   1HZ   LYS  33          HZ1       LYS  33   9.158   4.946  16.708
  225   2HZ   LYS  33          HZ2       LYS  33   9.860   3.496  16.475
  226    H    ASP  34           HN       ASP  34   3.886   7.366  15.182
  227    HA   ASP  34           HA       ASP  34   3.353   4.500  15.248
  228   1HB   ASP  34          1HB       ASP  34   3.875   5.540  17.461
  229   2HB   ASP  34          2HB       ASP  34   2.573   6.690  17.232
  230    HD2  ASP  34           HD2      ASP  34   0.411   4.799  18.826
  231    H    ALA  35           HN       ALA  35   1.987   7.850  15.090
  232    HA   ALA  35           HA       ALA  35  -0.687   7.012  14.687
  233   1HB   ALA  35          1HB       ALA  35  -0.894   9.178  15.248
  234   2HB   ALA  35          2HB       ALA  35   0.839   9.468  14.960
  235   3HB   ALA  35          3HB       ALA  35  -0.320   9.602  13.617
  236    H    PHE  36           HN       PHE  36   2.168   7.344  12.651
  237    HA   PHE  36           HA       PHE  36   0.873   7.719  10.201
  238   1HB   PHE  36          1HB       PHE  36   3.498   6.490  11.188
  239   2HB   PHE  36          2HB       PHE  36   3.138   6.516   9.474
  240    HD1  PHE  36           HD1      PHE  36   3.816   8.619  12.417
  241    HD2  PHE  36           HD2      PHE  36   3.294   8.539   8.206
  242    HE1  PHE  36           HE1      PHE  36   4.726  10.953  12.260
  243    HE2  PHE  36           HE2      PHE  36   4.204  10.873   8.049
  244    HZ   PHE  36           HZ       PHE  36   4.909  12.052  10.079
  245    H    GLU  37           HN       GLU  37  -0.093   6.328   8.754
  246    HA   GLU  37           HA       GLU  37   0.256   3.498   9.208
  247   1HB   GLU  37          1HB       GLU  37  -1.928   4.672  10.333
  248   2HB   GLU  37          2HB       GLU  37  -2.572   4.358   8.733
  249   1HG   GLU  37          1HG       GLU  37  -1.520   1.943   9.084
  250   2HG   GLU  37          2HG       GLU  37  -1.550   2.375  10.782
  251    HE2  GLU  37           HE2      GLU  37  -5.112   2.450   8.925
  252    H    LYS  38           HN       LYS  38   0.357   2.356   7.283
  253    HA   LYS  38           HA       LYS  38   0.673   3.715   4.907
  254   1HB   LYS  38          1HB       LYS  38   1.507   1.422   5.493
  255   2HB   LYS  38          2HB       LYS  38  -0.114   0.807   5.246
  256   1HG   LYS  38          1HG       LYS  38   1.189   2.467   3.070
  257   2HG   LYS  38          2HG       LYS  38   1.642   0.784   3.251
  258   1HD   LYS  38          HD2       LYS  38  -1.300   1.315   3.286
  259   2HD   LYS  38          HD3       LYS  38  -0.501   1.649   1.762
  260   1HE   LYS  38          2HE       LYS  38   0.223  -0.939   3.102
  261   2HE   LYS  38          3HE       LYS  38  -1.402  -0.827   2.455
  262   1HZ   LYS  38          HZ1       LYS  38  -0.585  -0.996   0.379
  263   2HZ   LYS  38          HZ2       LYS  38   0.502   0.198   0.594
  264    H    GLN  39           HN       GLN  39  -0.648   4.297   3.199
  265    HA   GLN  39           HA       GLN  39  -3.458   3.604   3.525
  266   1HB   GLN  39          1HB       GLN  39  -2.424   6.154   3.975
  267   2HB   GLN  39          2HB       GLN  39  -2.978   6.259   2.317
  268   1HG   GLN  39          1HG       GLN  39  -5.228   5.555   2.938
  269   2HG   GLN  39          2HG       GLN  39  -4.714   5.140   4.561
  270   1HE2  GLN  39          1HE2      GLN  39  -4.033   6.802   5.995
  271   2HE2  GLN  39          2HE2      GLN  39  -4.619   8.424   5.840
  Start of MODEL   11
    1   1H    MET   1           HN       MET   1  -0.110   1.889  -1.714
    2    HA   MET   1           HA       MET   1   1.898   0.783  -2.852
    3   1HB   MET   1          1HB       MET   1   1.906   3.690  -3.682
    4   2HB   MET   1          2HB       MET   1   3.462   2.980  -3.303
    5   1HG   MET   1          1HG       MET   1   3.461   1.644  -5.178
    6   2HG   MET   1          2HG       MET   1   1.755   1.268  -5.037
    7   1HE   MET   1          1HE       MET   1   2.413   2.954  -8.605
    8   2HE   MET   1          2HE       MET   1   3.438   1.864  -7.641
    9   3HE   MET   1          3HE       MET   1   1.699   1.526  -7.819
   10    H    ASP   2           HN       ASP   2   4.205   1.352  -1.816
   11    HA   ASP   2           HA       ASP   2   3.776   1.408   0.917
   12   1HB   ASP   2          1HB       ASP   2   6.045   1.235  -0.949
   13   2HB   ASP   2          2HB       ASP   2   6.474   2.132   0.494
   14    HD2  ASP   2           HD2      ASP   2   7.865  -0.210   0.869
   15    H    ILE   3           HN       ILE   3   2.811   3.348   1.703
   16    HA   ILE   3           HA       ILE   3   4.506   5.710   1.535
   17    HB   ILE   3           HB       ILE   3   1.726   5.461   0.487
   18   1HG1  ILE   3          2HG1      ILE   3   3.497   7.514  -0.599
   19   2HG1  ILE   3          3HG1      ILE   3   4.241   5.927  -0.620
   20   1HG2  ILE   3          1HG2      ILE   3   1.471   7.038   2.333
   21   2HG2  ILE   3          2HG2      ILE   3   2.837   7.999   1.716
   22   3HG2  ILE   3          3HG2      ILE   3   1.341   7.863   0.761
   23   1HD1  ILE   3          1HD1      ILE   3   2.760   5.100  -2.169
   24   2HD1  ILE   3          2HD1      ILE   3   1.382   5.985  -1.473
   25   3HD1  ILE   3          3HD1      ILE   3   2.524   6.822  -2.552
   26    H    TYR   4           HN       TYR   4   4.320   7.078   3.298
   27    HA   TYR   4           HA       TYR   4   2.741   5.966   5.571
   28   1HB   TYR   4          1HB       TYR   4   5.524   7.158   5.467
   29   2HB   TYR   4          2HB       TYR   4   4.610   6.988   6.975
   30    HD1  TYR   4           HD1      TYR   4   4.108   4.765   7.901
   31    HD2  TYR   4           HD2      TYR   4   6.473   5.236   4.345
   32    HE1  TYR   4           HE1      TYR   4   4.901   2.425   8.117
   33    HE2  TYR   4           HE2      TYR   4   7.264   2.896   4.562
   34    HH   TYR   4           HH       TYR   4   6.523   0.893   7.373
   35    H    VAL   5           HN       VAL   5   0.958   7.456   4.880
   36    HA   VAL   5           HA       VAL   5   1.604  10.273   5.050
   37    HB   VAL   5           HB       VAL   5  -0.901   8.707   4.427
   38   1HG1  VAL   5          1HG1      VAL   5  -1.489  11.254   3.655
   39   2HG1  VAL   5          2HG1      VAL   5  -2.008  10.521   5.193
   40   3HG1  VAL   5          3HG1      VAL   5  -0.561  11.557   5.144
   41   1HG2  VAL   5          1HG2      VAL   5   1.288   9.890   2.856
   42   2HG2  VAL   5          2HG2      VAL   5   0.115   8.624   2.422
   43   3HG2  VAL   5          3HG2      VAL   5  -0.337  10.340   2.284
   44    H    CYS   6           HN       CYS   6   1.724  11.268   6.990
   45    HA   CYS   6           HA       CYS   6   1.140  10.146   9.379
   46   1HB   CYS   6          1HB       CYS   6   2.413  12.254   8.959
   47   2HB   CYS   6          2HB       CYS   6   0.889  13.092   8.743
   48    H    THR   7           HN       THR   7  -0.683  10.403  10.897
   49    HA   THR   7           HA       THR   7  -3.227  10.832   9.475
   50    HB   THR   7           HB       THR   7  -4.091   9.249  11.299
   51    HG1  THR   7           HG1      THR   7  -2.225   9.686  12.722
   52   1HG2  THR   7          1HG2      THR   7  -1.814   8.285   9.495
   53   2HG2  THR   7          2HG2      THR   7  -2.853   7.189  10.435
   54   3HG2  THR   7          3HG2      THR   7  -3.557   8.199   9.149
   55    H    VAL   8           HN       VAL   8  -1.270  12.745  10.973
   56    HA   VAL   8           HA       VAL   8  -3.282  13.729  12.875
   57    HB   VAL   8           HB       VAL   8  -0.280  13.789  12.839
   58   1HG1  VAL   8          1HG1      VAL   8  -2.131  15.730  14.240
   59   2HG1  VAL   8          2HG1      VAL   8  -0.488  15.383  14.829
   60   3HG1  VAL   8          3HG1      VAL   8  -0.724  16.082  13.209
   61   1HG2  VAL   8          1HG2      VAL   8  -1.135  11.955  14.058
   62   2HG2  VAL   8          2HG2      VAL   8  -0.712  13.173  15.285
   63   3HG2  VAL   8          3HG2      VAL   8  -2.412  12.940  14.810
   64    H    CYS   9           HN       CYS   9  -0.716  14.762  10.520
   65    HA   CYS   9           HA       CYS   9  -2.312  17.177  10.095
   66   1HB   CYS   9          1HB       CYS   9  -0.096  17.928   8.953
   67   2HB   CYS   9          2HB       CYS   9  -0.272  17.998  10.695
   68    H    GLY  10           HN       GLY  10  -1.185  14.136   8.797
   69   1HA   GLY  10          HA1       GLY  10  -2.070  13.143   6.899
   70   2HA   GLY  10          HA2       GLY  10  -2.528  14.711   6.267
   71    H    TYR  11           HN       TYR  11   0.582  14.782   7.616
   72    HA   TYR  11           HA       TYR  11   2.002  15.596   5.442
   73   1HB   TYR  11          1HB       TYR  11   2.833  15.404   7.782
   74   2HB   TYR  11          2HB       TYR  11   3.011  13.656   7.549
   75    HD1  TYR  11           HD1      TYR  11   5.328  13.317   7.713
   76    HD2  TYR  11           HD2      TYR  11   3.811  16.409   5.147
   77    HE1  TYR  11           HE1      TYR  11   7.605  13.669   6.794
   78    HE2  TYR  11           HE2      TYR  11   6.088  16.762   4.227
   79    HH   TYR  11           HH       TYR  11   8.940  15.227   5.575
   80    H    GLU  12           HN       GLU  12   3.531  14.509   3.910
   81    HA   GLU  12           HA       GLU  12   2.636  11.784   3.372
   82   1HB   GLU  12          1HB       GLU  12   2.775  14.166   1.581
   83   2HB   GLU  12          2HB       GLU  12   3.393  12.679   0.890
   84   1HG   GLU  12          1HG       GLU  12   1.136  11.650   1.914
   85   2HG   GLU  12          2HG       GLU  12   0.595  13.316   1.835
   86    HE2  GLU  12           HE2      GLU  12  -0.767  12.038   0.306
   87    H    TYR  13           HN       TYR  13   4.207  10.317   3.274
   88    HA   TYR  13           HA       TYR  13   7.018  11.295   3.198
   89   1HB   TYR  13          1HB       TYR  13   6.170  10.071   5.238
   90   2HB   TYR  13          2HB       TYR  13   5.947   8.644   4.211
   91    HD1  TYR  13           HD1      TYR  13   7.615   7.057   4.338
   92    HD2  TYR  13           HD2      TYR  13   8.641  11.197   4.853
   93    HE1  TYR  13           HE1      TYR  13   9.986   6.425   4.701
   94    HE2  TYR  13           HE2      TYR  13  11.011  10.564   5.217
   95    HH   TYR  13           HH       TYR  13  12.572   8.703   4.754
   96    H    ASP  14           HN       ASP  14   8.608  10.014   1.936
   97    HA   ASP  14           HA       ASP  14   7.290   8.349  -0.053
   98   1HB   ASP  14          1HB       ASP  14   7.991  10.795  -0.770
   99   2HB   ASP  14          2HB       ASP  14   9.624  10.162  -0.752
  100    HD2  ASP  14           HD2      ASP  14   9.910   8.264  -2.507
  101    HA   PRO  15           HA       PRO  15  10.435   5.912   2.337
  102   1HB   PRO  15          1HB       PRO  15   9.300   4.052   0.210
  103   2HB   PRO  15          2HB       PRO  15   9.707   3.742   1.929
  104   1HG   PRO  15          1HG       PRO  15   7.207   4.269   1.184
  105   2HG   PRO  15          2HG       PRO  15   7.712   4.794   2.823
  106   1HD   PRO  15          HD2       PRO  15   7.094   6.408   0.404
  107   2HD   PRO  15          HD3       PRO  15   7.320   6.957   2.093
  108    H    ALA  16           HN       ALA  16  12.476   6.703   1.680
  109    HA   ALA  16           HA       ALA  16  13.676   5.451  -0.535
  110   1HB   ALA  16          1HB       ALA  16  14.114   7.673  -1.774
  111   2HB   ALA  16          2HB       ALA  16  12.511   6.929  -1.975
  112   3HB   ALA  16          3HB       ALA  16  12.720   8.308  -0.868
  113    H    PHE  17           HN       PHE  17  14.038   5.830   2.338
  114    HA   PHE  17           HA       PHE  17  16.398   7.563   2.371
  115   1HB   PHE  17          1HB       PHE  17  16.029   7.354   4.881
  116   2HB   PHE  17          2HB       PHE  17  14.634   8.025   4.060
  117    HD1  PHE  17           HD1      PHE  17  15.907   5.247   6.000
  118    HD2  PHE  17           HD2      PHE  17  12.627   6.612   3.680
  119    HE1  PHE  17           HE1      PHE  17  14.459   3.454   6.993
  120    HE2  PHE  17           HE2      PHE  17  11.179   4.819   4.674
  121    HZ   PHE  17           HZ       PHE  17  12.112   3.261   6.318
  122    H    GLU  18           HN       GLU  18  18.021   6.647   4.233
  123    HA   GLU  18           HA       GLU  18  18.339   3.804   3.689
  124   1HB   GLU  18          1HB       GLU  18  19.885   5.320   2.304
  125   2HB   GLU  18          2HB       GLU  18  20.660   5.771   3.810
  126   1HG   GLU  18          1HG       GLU  18  21.726   3.747   4.026
  127   2HG   GLU  18          2HG       GLU  18  20.335   2.837   3.469
  128    HE2  GLU  18           HE2      GLU  18  21.802   5.119   0.857
  129    H    ASP  19           HN       ASP  19  18.331   2.666   5.575
  130    HA   ASP  19           HA       ASP  19  18.342   2.250   7.713
  131   1HB   ASP  19          1HB       ASP  19  20.967   3.305   7.003
  132   2HB   ASP  19          2HB       ASP  19  20.618   3.687   8.677
  133    HD2  ASP  19           HD2      ASP  19  21.932   0.198   7.732
  134    H    LEU  20           HN       LEU  20  16.465   3.529   8.356
  135    HA   LEU  20           HA       LEU  20  16.963   6.265   9.193
  136   1HB   LEU  20          1HB       LEU  20  15.031   6.110   7.933
  137   2HB   LEU  20          2HB       LEU  20  14.542   4.591   8.655
  138    HG   LEU  20           HG       LEU  20  14.528   6.382  10.796
  139   1HD1  LEU  20          1HD1      LEU  20  14.734   8.151   8.930
  140   2HD1  LEU  20          2HD1      LEU  20  13.041   7.742   8.560
  141   3HD1  LEU  20          3HD1      LEU  20  13.475   8.362  10.170
  142   1HD2  LEU  20          1HD2      LEU  20  12.929   4.478   9.966
  143   2HD2  LEU  20          2HD2      LEU  20  12.314   5.796  10.993
  144   3HD2  LEU  20          3HD2      LEU  20  12.030   5.829   9.235
  145    HA   PRO  21           HA       PRO  21  17.595   5.440  13.420
  146   1HB   PRO  21          1HB       PRO  21  16.303   7.635  14.513
  147   2HB   PRO  21          2HB       PRO  21  17.880   7.724  13.663
  148   1HG   PRO  21          1HG       PRO  21  15.124   8.264  12.447
  149   2HG   PRO  21          2HG       PRO  21  16.577   9.313  12.353
  150   1HD   PRO  21          HD2       PRO  21  16.036   7.609  10.346
  151   2HD   PRO  21          HD3       PRO  21  17.712   7.699  10.966
  152    H    ASP  22           HN       ASP  22  16.247   5.228  15.572
  153    HA   ASP  22           HA       ASP  22  13.724   4.033  14.778
  154   1HB   ASP  22          1HB       ASP  22  13.943   3.060  17.209
  155   2HB   ASP  22          2HB       ASP  22  14.944   2.396  15.934
  156    HD2  ASP  22           HD2      ASP  22  16.737   3.492  19.098
  157    H    ASP  23           HN       ASP  23  13.352   6.684  14.795
  158    HA   ASP  23           HA       ASP  23  11.507   7.170  16.727
  159   1HB   ASP  23          1HB       ASP  23  14.290   7.920  17.514
  160   2HB   ASP  23          2HB       ASP  23  13.097   9.182  17.745
  161    HD2  ASP  23           HD2      ASP  23  11.086   6.922  19.536
  162    H    TRP  24           HN       TRP  24  10.944   7.729  14.341
  163    HA   TRP  24           HA       TRP  24  12.067  10.271  13.463
  164   1HB   TRP  24          1HB       TRP  24  11.828   8.243  11.957
  165   2HB   TRP  24          2HB       TRP  24  10.097   8.507  12.012
  166    HD1  TRP  24           HD1      TRP  24  13.064  10.990  11.353
  167    HE1  TRP  24           HE1      TRP  24  12.583  12.440   9.202
  168    HE3  TRP  24           HE3      TRP  24   8.594   8.828  10.256
  169    HZ2  TRP  24           HZ2      TRP  24  10.434  12.518   7.324
  170    HZ3  TRP  24           HZ3      TRP  24   7.369   9.650   8.246
  171    HH2  TRP  24           HH2      TRP  24   8.220  11.429   6.804
  172    H    ALA  25           HN       ALA  25  10.795  12.163  13.287
  173    HA   ALA  25           HA       ALA  25   8.068  11.931  14.356
  174   1HB   ALA  25          1HB       ALA  25  10.017  12.877  15.890
  175   2HB   ALA  25          2HB       ALA  25   9.765  14.349  14.922
  176   3HB   ALA  25          3HB       ALA  25   8.419  13.659  15.861
  177    H    CYS  26           HN       CYS  26   6.507  13.123  13.267
  178    HA   CYS  26           HA       CYS  26   6.991  13.807  10.651
  179   1HB   CYS  26          1HB       CYS  26   4.780  13.369  11.931
  180   2HB   CYS  26          2HB       CYS  26   4.799  15.090  12.263
  181    HA   PRO  27           HA       PRO  27   9.111  17.675  11.090
  182   1HB   PRO  27          1HB       PRO  27   8.979  18.467   8.476
  183   2HB   PRO  27          2HB       PRO  27   9.980  17.075   9.004
  184   1HG   PRO  27          1HG       PRO  27   7.111  16.924   7.800
  185   2HG   PRO  27          2HG       PRO  27   8.643  16.103   7.353
  186   1HD   PRO  27          HD2       PRO  27   6.781  14.986   9.057
  187   2HD   PRO  27          HD3       PRO  27   8.538  14.715   9.263
  188    H    VAL  28           HN       VAL  28   5.763  17.182  10.650
  189    HA   VAL  28           HA       VAL  28   5.309  20.078  10.466
  190    HB   VAL  28           HB       VAL  28   3.457  17.756   9.895
  191   1HG1  VAL  28          1HG1      VAL  28   2.938  20.551  10.416
  192   2HG1  VAL  28          2HG1      VAL  28   2.476  20.138   8.748
  193   3HG1  VAL  28          3HG1      VAL  28   1.791  19.224  10.114
  194   1HG2  VAL  28          1HG2      VAL  28   5.019  19.607   8.076
  195   2HG2  VAL  28          2HG2      VAL  28   5.075  17.829   8.153
  196   3HG2  VAL  28          3HG2      VAL  28   3.625  18.646   7.522
  197    H    CYS  29           HN       CYS  29   2.997  17.646  11.668
  198    HA   CYS  29           HA       CYS  29   2.248  19.070  13.853
  199   1HB   CYS  29          1HB       CYS  29   1.408  16.919  14.772
  200   2HB   CYS  29          2HB       CYS  29   0.920  17.255  13.122
  201    H    GLY  30           HN       GLY  30   4.759  16.457  13.596
  202   1HA   GLY  30          HA1       GLY  30   6.844  16.743  14.731
  203   2HA   GLY  30          HA2       GLY  30   6.005  17.551  16.041
  204    H    ALA  31           HN       ALA  31   3.787  15.279  15.369
  205    HA   ALA  31           HA       ALA  31   4.266  13.729  17.590
  206   1HB   ALA  31          1HB       ALA  31   2.766  12.086  16.004
  207   2HB   ALA  31          2HB       ALA  31   2.109  13.472  16.908
  208   3HB   ALA  31          3HB       ALA  31   2.524  13.649  15.187
  209    H    SER  32           HN       SER  32   4.684  11.291  17.613
  210    HA   SER  32           HA       SER  32   7.132  10.882  16.182
  211   1HB   SER  32          1HB       SER  32   7.393   8.915  17.627
  212   2HB   SER  32          2HB       SER  32   6.955  10.311  18.591
  213    HG   SER  32           HG       SER  32   4.616   9.370  18.095
  214    H    LYS  33           HN       LYS  33   7.405   8.346  15.472
  215    HA   LYS  33           HA       LYS  33   5.510   8.032  13.354
  216   1HB   LYS  33          1HB       LYS  33   7.924   7.646  13.047
  217   2HB   LYS  33          2HB       LYS  33   7.871   6.322  14.193
  218   1HG   LYS  33          1HG       LYS  33   6.314   5.068  12.754
  219   2HG   LYS  33          2HG       LYS  33   6.179   6.423  11.653
  220   1HD   LYS  33          HD2       LYS  33   8.900   5.218  12.245
  221   2HD   LYS  33          HD3       LYS  33   7.838   4.451  11.082
  222   1HE   LYS  33          2HE       LYS  33   7.671   7.057  10.230
  223   2HE   LYS  33          3HE       LYS  33   9.292   7.059  10.894
  224   1HZ   LYS  33          HZ1       LYS  33   9.315   6.366   8.571
  225   2HZ   LYS  33          HZ2       LYS  33   9.794   5.111   9.494
  226    H    ASP  34           HN       ASP  34   3.868   7.979  15.415
  227    HA   ASP  34           HA       ASP  34   3.498   5.143  15.985
  228   1HB   ASP  34          1HB       ASP  34   3.844   6.598  17.989
  229   2HB   ASP  34          2HB       ASP  34   2.491   7.598  17.501
  230    HD2  ASP  34           HD2      ASP  34   0.897   6.202  19.785
  231    H    ALA  35           HN       ALA  35   1.840   8.324  15.369
  232    HA   ALA  35           HA       ALA  35  -0.694   7.158  14.886
  233   1HB   ALA  35          1HB       ALA  35   0.056   9.601  15.549
  234   2HB   ALA  35          2HB       ALA  35   0.160   9.831  13.787
  235   3HB   ALA  35          3HB       ALA  35  -1.384   9.353  14.534
  236    H    PHE  36           HN       PHE  36   2.240   7.627  12.997
  237    HA   PHE  36           HA       PHE  36   1.135   7.703  10.450
  238   1HB   PHE  36          1HB       PHE  36   3.717   6.729  11.762
  239   2HB   PHE  36          2HB       PHE  36   3.502   6.483  10.040
  240    HD1  PHE  36           HD1      PHE  36   3.727   9.067  12.671
  241    HD2  PHE  36           HD2      PHE  36   3.782   8.267   8.504
  242    HE1  PHE  36           HE1      PHE  36   4.542  11.400  12.235
  243    HE2  PHE  36           HE2      PHE  36   4.597  10.602   8.067
  244    HZ   PHE  36           HZ       PHE  36   4.968  12.139   9.938
  245    H    GLU  37           HN       GLU  37   0.318   6.172   9.058
  246    HA   GLU  37           HA       GLU  37   0.529   3.411   9.971
  247   1HB   GLU  37          1HB       GLU  37  -1.789   4.707  10.212
  248   2HB   GLU  37          2HB       GLU  37  -1.931   4.360   8.501
  249   1HG   GLU  37          1HG       GLU  37  -2.051   2.046   8.827
  250   2HG   GLU  37          2HG       GLU  37  -1.108   2.092  10.304
  251    HE2  GLU  37           HE2      GLU  37  -4.494   3.113   9.320
  252    H    LYS  38           HN       LYS  38   0.493   1.781   8.241
  253    HA   LYS  38           HA       LYS  38   1.723   2.826   5.847
  254   1HB   LYS  38          1HB       LYS  38   2.487   0.788   7.237
  255   2HB   LYS  38          2HB       LYS  38   1.169  -0.075   6.470
  256   1HG   LYS  38          1HG       LYS  38   3.091   1.519   4.754
  257   2HG   LYS  38          2HG       LYS  38   3.582  -0.051   5.356
  258   1HD   LYS  38          HD2       LYS  38   0.849   0.063   4.140
  259   2HD   LYS  38          HD3       LYS  38   2.180   0.318   3.029
  260   1HE   LYS  38          2HE       LYS  38   1.776  -2.055   3.046
  261   2HE   LYS  38          3HE       LYS  38   3.253  -1.812   3.958
  262   1HZ   LYS  38          HZ1       LYS  38   2.225  -2.405   5.896
  263   2HZ   LYS  38          HZ2       LYS  38   0.787  -1.744   5.510
  264    H    GLN  39           HN       GLN  39   0.357   3.694   4.362
  265    HA   GLN  39           HA       GLN  39  -1.738   1.940   3.433
  266   1HB   GLN  39          1HB       GLN  39  -2.295   4.191   5.085
  267   2HB   GLN  39          2HB       GLN  39  -2.750   4.669   3.462
  268   1HG   GLN  39          1HG       GLN  39  -4.713   3.627   4.252
  269   2HG   GLN  39          2HG       GLN  39  -3.955   2.347   3.324
  270   1HE2  GLN  39          1HE2      GLN  39  -3.755   0.462   4.249
  271   2HE2  GLN  39          2HE2      GLN  39  -3.742   0.119   5.948
  Start of MODEL   12
    1   1H    MET   1           HN       MET   1   6.217   3.380  -3.653
    2    HA   MET   1           HA       MET   1   4.839   1.421  -3.587
    3   1HB   MET   1          1HB       MET   1   7.595   0.214  -3.254
    4   2HB   MET   1          2HB       MET   1   6.272  -0.584  -2.428
    5   1HG   MET   1          1HG       MET   1   5.138  -1.098  -4.454
    6   2HG   MET   1          2HG       MET   1   5.975   0.149  -5.356
    7   1HE   MET   1          1HE       MET   1   5.609  -3.408  -5.341
    8   2HE   MET   1          2HE       MET   1   7.147  -4.155  -4.849
    9   3HE   MET   1          3HE       MET   1   6.154  -3.291  -3.651
   10    H    ASP   2           HN       ASP   2   3.685   1.064  -1.653
   11    HA   ASP   2           HA       ASP   2   3.123   1.283   0.429
   12   1HB   ASP   2          1HB       ASP   2   5.998   0.668   0.608
   13   2HB   ASP   2          2HB       ASP   2   5.465   1.639   1.966
   14    HD2  ASP   2           HD2      ASP   2   5.264   0.096   3.586
   15    H    ILE   3           HN       ILE   3   2.470   3.117   1.654
   16    HA   ILE   3           HA       ILE   3   4.212   5.456   1.583
   17    HB   ILE   3           HB       ILE   3   1.399   5.298   0.535
   18   1HG1  ILE   3          2HG1      ILE   3   3.618   6.863  -0.718
   19   2HG1  ILE   3          3HG1      ILE   3   3.688   5.115  -0.822
   20   1HG2  ILE   3          1HG2      ILE   3   1.460   7.810   0.472
   21   2HG2  ILE   3          2HG2      ILE   3   1.276   7.094   2.091
   22   3HG2  ILE   3          3HG2      ILE   3   2.854   7.737   1.576
   23   1HD1  ILE   3          1HD1      ILE   3   2.486   5.859  -2.769
   24   2HD1  ILE   3          2HD1      ILE   3   1.265   5.174  -1.670
   25   3HD1  ILE   3          3HD1      ILE   3   1.454   6.939  -1.802
   26    H    TYR   4           HN       TYR   4   4.106   6.704   3.383
   27    HA   TYR   4           HA       TYR   4   2.316   5.699   5.549
   28   1HB   TYR   4          1HB       TYR   4   5.194   6.583   5.505
   29   2HB   TYR   4          2HB       TYR   4   4.235   6.774   6.982
   30    HD1  TYR   4           HD1      TYR   4   2.981   4.648   7.834
   31    HD2  TYR   4           HD2      TYR   4   6.270   4.561   5.073
   32    HE1  TYR   4           HE1      TYR   4   3.408   2.275   8.419
   33    HE2  TYR   4           HE2      TYR   4   6.697   2.189   5.657
   34    HH   TYR   4           HH       TYR   4   6.248   0.549   7.393
   35    H    VAL   5           HN       VAL   5   0.585   7.203   5.285
   36    HA   VAL   5           HA       VAL   5   1.343  10.014   5.197
   37    HB   VAL   5           HB       VAL   5  -1.311   8.592   4.914
   38   1HG1  VAL   5          1HG1      VAL   5  -2.395  10.564   4.868
   39   2HG1  VAL   5          2HG1      VAL   5  -0.971  11.188   5.736
   40   3HG1  VAL   5          3HG1      VAL   5  -1.088  11.374   3.970
   41   1HG2  VAL   5          1HG2      VAL   5  -0.525  10.031   2.573
   42   2HG2  VAL   5          2HG2      VAL   5   0.838   9.002   3.078
   43   3HG2  VAL   5          3HG2      VAL   5  -0.761   8.278   2.778
   44    H    CYS   6           HN       CYS   6   1.473  11.208   7.022
   45    HA   CYS   6           HA       CYS   6   1.075  10.137   9.519
   46   1HB   CYS   6          1HB       CYS   6   2.431  12.154   8.927
   47   2HB   CYS   6          2HB       CYS   6   0.943  13.068   8.788
   48    H    THR   7           HN       THR   7  -0.625  10.581  11.143
   49    HA   THR   7           HA       THR   7  -3.229  11.087   9.863
   50    HB   THR   7           HB       THR   7  -4.054   9.648  11.822
   51    HG1  THR   7           HG1      THR   7  -2.068  10.027  13.088
   52   1HG2  THR   7          1HG2      THR   7  -2.009   8.504   9.860
   53   2HG2  THR   7          2HG2      THR   7  -2.939   7.479  10.979
   54   3HG2  THR   7          3HG2      THR   7  -3.783   8.434   9.737
   55    H    VAL   8           HN       VAL   8  -1.058  12.931  11.167
   56    HA   VAL   8           HA       VAL   8  -2.890  14.124  13.131
   57    HB   VAL   8           HB       VAL   8   0.117  14.296  12.856
   58   1HG1  VAL   8          1HG1      VAL   8  -1.411  16.326  13.765
   59   2HG1  VAL   8          2HG1      VAL   8  -1.255  15.377  15.263
   60   3HG1  VAL   8          3HG1      VAL   8   0.202  15.948  14.415
   61   1HG2  VAL   8          1HG2      VAL   8  -1.675  12.525  14.331
   62   2HG2  VAL   8          2HG2      VAL   8   0.078  12.400  14.045
   63   3HG2  VAL   8          3HG2      VAL   8  -0.534  13.376  15.402
   64    H    CYS   9           HN       CYS   9  -0.442  14.891  10.559
   65    HA   CYS   9           HA       CYS   9  -1.934  17.371  10.115
   66   1HB   CYS   9          1HB       CYS   9   0.241  17.966   8.824
   67   2HB   CYS   9          2HB       CYS   9   0.178  18.106  10.569
   68    H    GLY  10           HN       GLY  10  -1.072  14.214   8.922
   69   1HA   GLY  10          HA1       GLY  10  -2.119  13.192   7.125
   70   2HA   GLY  10          HA2       GLY  10  -2.499  14.755   6.429
   71    H    TYR  11           HN       TYR  11   0.670  14.698   7.619
   72    HA   TYR  11           HA       TYR  11   2.024  15.279   5.332
   73   1HB   TYR  11          1HB       TYR  11   2.937  15.161   7.663
   74   2HB   TYR  11          2HB       TYR  11   3.041  13.401   7.489
   75    HD1  TYR  11           HD1      TYR  11   5.327  12.919   7.493
   76    HD2  TYR  11           HD2      TYR  11   3.845  16.096   5.011
   77    HE1  TYR  11           HE1      TYR  11   7.568  13.153   6.455
   78    HE2  TYR  11           HE2      TYR  11   6.085  16.330   3.973
   79    HH   TYR  11           HH       TYR  11   8.834  14.235   4.894
   80    H    GLU  12           HN       GLU  12   3.415  13.996   3.816
   81    HA   GLU  12           HA       GLU  12   2.376  11.287   3.531
   82   1HB   GLU  12          1HB       GLU  12   2.212  13.533   1.647
   83   2HB   GLU  12          2HB       GLU  12   3.023  12.155   0.930
   84   1HG   GLU  12          1HG       GLU  12   1.119  10.680   1.602
   85   2HG   GLU  12          2HG       GLU  12   0.310  12.051   2.332
   86    HE2  GLU  12           HE2      GLU  12  -0.883  13.453   0.603
   87    H    TYR  13           HN       TYR  13   3.989   9.922   3.854
   88    HA   TYR  13           HA       TYR  13   6.762  10.774   3.264
   89   1HB   TYR  13          1HB       TYR  13   6.196   9.882   5.507
   90   2HB   TYR  13          2HB       TYR  13   5.677   8.363   4.758
   91    HD1  TYR  13           HD1      TYR  13   7.189   6.613   4.680
   92    HD2  TYR  13           HD2      TYR  13   8.667  10.643   4.829
   93    HE1  TYR  13           HE1      TYR  13   9.512   5.756   4.804
   94    HE2  TYR  13           HE2      TYR  13  10.991   9.787   4.952
   95    HH   TYR  13           HH       TYR  13  12.239   7.761   5.540
   96    H    ASP  14           HN       ASP  14   8.237   9.253   2.097
   97    HA   ASP  14           HA       ASP  14   6.730   7.413   0.426
   98   1HB   ASP  14          1HB       ASP  14   7.458   9.723  -0.641
   99   2HB   ASP  14          2HB       ASP  14   9.064   9.022  -0.659
  100    HD2  ASP  14           HD2      ASP  14   9.527   7.932  -2.370
  101    HA   PRO  15           HA       PRO  15   9.870   5.029   2.804
  102   1HB   PRO  15          1HB       PRO  15   8.655   3.130   0.743
  103   2HB   PRO  15          2HB       PRO  15   9.150   2.835   2.441
  104   1HG   PRO  15          1HG       PRO  15   6.604   3.394   1.791
  105   2HG   PRO  15          2HG       PRO  15   7.161   4.012   3.381
  106   1HD   PRO  15          HD2       PRO  15   6.533   5.478   0.865
  107   2HD   PRO  15          HD3       PRO  15   6.770   6.126   2.516
  108    H    ALA  16           HN       ALA  16  11.780   6.109   1.948
  109    HA   ALA  16           HA       ALA  16  13.319   4.652   0.226
  110   1HB   ALA  16          1HB       ALA  16  11.282   6.000  -1.220
  111   2HB   ALA  16          2HB       ALA  16  12.790   6.894  -1.525
  112   3HB   ALA  16          3HB       ALA  16  12.702   5.151  -1.876
  113    H    PHE  17           HN       PHE  17  14.287   5.489   2.366
  114    HA   PHE  17           HA       PHE  17  15.718   7.955   1.728
  115   1HB   PHE  17          1HB       PHE  17  14.088   7.148   4.176
  116   2HB   PHE  17          2HB       PHE  17  15.478   8.189   4.412
  117    HD1  PHE  17           HD1      PHE  17  12.414   7.957   2.290
  118    HD2  PHE  17           HD2      PHE  17  15.173  10.476   4.302
  119    HE1  PHE  17           HE1      PHE  17  11.018   9.957   1.700
  120    HE2  PHE  17           HE2      PHE  17  13.776  12.477   3.713
  121    HZ   PHE  17           HZ       PHE  17  11.716  12.193   2.419
  122    H    GLU  18           HN       GLU  18  17.385   8.145   3.901
  123    HA   GLU  18           HA       GLU  18  18.592   5.498   4.061
  124   1HB   GLU  18          1HB       GLU  18  19.791   6.928   2.386
  125   2HB   GLU  18          2HB       GLU  18  20.091   8.121   3.634
  126   1HG   GLU  18          1HG       GLU  18  21.040   5.867   4.886
  127   2HG   GLU  18          2HG       GLU  18  21.365   5.450   3.215
  128    HE2  GLU  18           HE2      GLU  18  22.586   6.967   2.042
  129    H    ASP  19           HN       ASP  19  18.943   4.854   6.146
  130    HA   ASP  19           HA       ASP  19  19.426   4.948   8.274
  131   1HB   ASP  19          1HB       ASP  19  20.540   7.385   7.386
  132   2HB   ASP  19          2HB       ASP  19  19.521   7.859   8.729
  133    HD2  ASP  19           HD2      ASP  19  22.808   7.467   9.580
  134    H    LEU  20           HN       LEU  20  17.343   4.332   9.028
  135    HA   LEU  20           HA       LEU  20  15.527   6.559   9.634
  136   1HB   LEU  20          1HB       LEU  20  14.906   4.941   7.723
  137   2HB   LEU  20          2HB       LEU  20  14.603   3.773   8.993
  138    HG   LEU  20           HG       LEU  20  13.293   6.457   9.198
  139   1HD1  LEU  20          1HD1      LEU  20  11.463   4.808   7.841
  140   2HD1  LEU  20          2HD1      LEU  20  12.236   6.302   7.255
  141   3HD1  LEU  20          3HD1      LEU  20  12.983   4.722   6.918
  142   1HD2  LEU  20          1HD2      LEU  20  11.826   3.947   9.727
  143   2HD2  LEU  20          2HD2      LEU  20  13.231   4.256  10.776
  144   3HD2  LEU  20          3HD2      LEU  20  11.917   5.454  10.670
  145    HA   PRO  21           HA       PRO  21  17.094   4.855  13.586
  146   1HB   PRO  21          1HB       PRO  21  15.849   7.535  14.291
  147   2HB   PRO  21          2HB       PRO  21  17.373   6.772  14.851
  148   1HG   PRO  21          1HG       PRO  21  17.498   8.719  12.907
  149   2HG   PRO  21          2HG       PRO  21  18.527   7.253  12.816
  150   1HD   PRO  21          HD2       PRO  21  15.861   7.875  11.452
  151   2HD   PRO  21          HD3       PRO  21  17.332   7.131  10.755
  152    H    ASP  22           HN       ASP  22  15.772   4.662  15.766
  153    HA   ASP  22           HA       ASP  22  13.094   3.938  14.946
  154   1HB   ASP  22          1HB       ASP  22  13.149   2.874  17.347
  155   2HB   ASP  22          2HB       ASP  22  14.063   2.113  16.059
  156    HD2  ASP  22           HD2      ASP  22  15.382   4.030  19.161
  157    H    ASP  23           HN       ASP  23  13.560   6.734  15.204
  158    HA   ASP  23           HA       ASP  23  11.713   7.334  17.271
  159   1HB   ASP  23          1HB       ASP  23  13.418   9.236  18.069
  160   2HB   ASP  23          2HB       ASP  23  13.418   7.647  18.809
  161    HD2  ASP  23           HD2      ASP  23  15.628   6.749  18.814
  162    H    TRP  24           HN       TRP  24  11.407   7.561  14.535
  163    HA   TRP  24           HA       TRP  24  12.273  10.173  13.660
  164   1HB   TRP  24          1HB       TRP  24  12.170   8.071  12.229
  165   2HB   TRP  24          2HB       TRP  24  10.427   8.261  12.236
  166    HD1  TRP  24           HD1      TRP  24  13.264  10.893  11.589
  167    HE1  TRP  24           HE1      TRP  24  12.784  12.226   9.362
  168    HE3  TRP  24           HE3      TRP  24   9.003   8.390  10.387
  169    HZ2  TRP  24           HZ2      TRP  24  10.724  12.087   7.392
  170    HZ3  TRP  24           HZ3      TRP  24   7.819   9.051   8.296
  171    HH2  TRP  24           HH2      TRP  24   8.613  10.831   6.820
  172    H    ALA  25           HN       ALA  25  10.893  11.979  13.384
  173    HA   ALA  25           HA       ALA  25   8.150  11.623  14.363
  174   1HB   ALA  25          1HB       ALA  25  10.322  13.055  15.627
  175   2HB   ALA  25          2HB       ALA  25   9.058  14.204  15.128
  176   3HB   ALA  25          3HB       ALA  25   8.647  12.834  16.188
  177    H    CYS  26           HN       CYS  26   6.603  12.678  13.149
  178    HA   CYS  26           HA       CYS  26   7.095  13.374  10.591
  179   1HB   CYS  26          1HB       CYS  26   4.875  13.042  11.845
  180   2HB   CYS  26          2HB       CYS  26   4.959  14.755  12.207
  181    HA   PRO  27           HA       PRO  27   9.861  16.866  11.221
  182   1HB   PRO  27          1HB       PRO  27   9.147  16.983   8.262
  183   2HB   PRO  27          2HB       PRO  27  10.725  17.197   9.087
  184   1HG   PRO  27          1HG       PRO  27  10.112  14.832   7.945
  185   2HG   PRO  27          2HG       PRO  27  10.972  14.766   9.519
  186   1HD   PRO  27          HD2       PRO  27   8.036  14.368   8.857
  187   2HD   PRO  27          HD3       PRO  27   9.025  13.594  10.132
  188    H    VAL  28           HN       VAL  28   6.527  16.739  10.011
  189    HA   VAL  28           HA       VAL  28   6.342  19.614   9.854
  190    HB   VAL  28           HB       VAL  28   4.314  17.387   9.586
  191   1HG1  VAL  28          1HG1      VAL  28   4.044  20.370   9.507
  192   2HG1  VAL  28          2HG1      VAL  28   3.072  19.395   8.378
  193   3HG1  VAL  28          3HG1      VAL  28   2.925  19.136  10.134
  194   1HG2  VAL  28          1HG2      VAL  28   6.336  18.113   7.848
  195   2HG2  VAL  28          2HG2      VAL  28   4.835  17.262   7.405
  196   3HG2  VAL  28          3HG2      VAL  28   4.939  19.031   7.234
  197    H    CYS  29           HN       CYS  29   3.897  17.542  11.438
  198    HA   CYS  29           HA       CYS  29   3.483  19.365  13.482
  199   1HB   CYS  29          1HB       CYS  29   2.209  17.532  14.569
  200   2HB   CYS  29          2HB       CYS  29   1.753  17.858  12.910
  201    H    GLY  30           HN       GLY  30   5.391  16.287  13.303
  202   1HA   GLY  30          HA1       GLY  30   7.540  16.265  14.401
  203   2HA   GLY  30          HA2       GLY  30   6.835  17.158  15.733
  204    H    ALA  31           HN       ALA  31   4.265  15.344  15.152
  205    HA   ALA  31           HA       ALA  31   4.424  13.706  17.283
  206   1HB   ALA  31          1HB       ALA  31   3.071  12.825  14.721
  207   2HB   ALA  31          2HB       ALA  31   2.520  12.622  16.401
  208   3HB   ALA  31          3HB       ALA  31   2.486  14.231  15.641
  209    H    SER  32           HN       SER  32   4.631  11.276  17.425
  210    HA   SER  32           HA       SER  32   7.129  10.564  16.307
  211   1HB   SER  32          1HB       SER  32   6.599   8.338  17.510
  212   2HB   SER  32          2HB       SER  32   6.760   9.770  18.507
  213    HG   SER  32           HG       SER  32   4.708   8.123  18.498
  214    H    LYS  33           HN       LYS  33   7.322   8.178  15.345
  215    HA   LYS  33           HA       LYS  33   5.551   8.146  13.060
  216   1HB   LYS  33          1HB       LYS  33   7.124   6.453  12.199
  217   2HB   LYS  33          2HB       LYS  33   7.921   7.945  12.654
  218   1HG   LYS  33          1HG       LYS  33   9.276   6.790  14.054
  219   2HG   LYS  33          2HG       LYS  33   7.883   6.313  15.004
  220   1HD   LYS  33          HD2       LYS  33   7.700   4.609  12.805
  221   2HD   LYS  33          HD3       LYS  33   9.435   4.749  13.017
  222   1HE   LYS  33          2HE       LYS  33   9.195   3.132  14.613
  223   2HE   LYS  33          3HE       LYS  33   8.597   4.421  15.640
  224   1HZ   LYS  33          HZ1       LYS  33   7.167   2.228  14.927
  225   2HZ   LYS  33          HZ2       LYS  33   6.509   3.599  15.508
  226    H    ASP  34           HN       ASP  34   4.021   7.695  15.281
  227    HA   ASP  34           HA       ASP  34   3.691   4.798  15.232
  228   1HB   ASP  34          1HB       ASP  34   4.204   5.770  17.479
  229   2HB   ASP  34          2HB       ASP  34   2.818   6.832  17.338
  230    HD2  ASP  34           HD2      ASP  34   0.900   5.912  18.236
  231    H    ALA  35           HN       ALA  35   2.121   8.054  15.221
  232    HA   ALA  35           HA       ALA  35  -0.517   7.117  14.925
  233   1HB   ALA  35          1HB       ALA  35  -0.204   9.702  13.748
  234   2HB   ALA  35          2HB       ALA  35  -0.834   9.296  15.362
  235   3HB   ALA  35          3HB       ALA  35   0.904   9.608  15.138
  236    H    PHE  36           HN       PHE  36   2.226   7.364  12.766
  237    HA   PHE  36           HA       PHE  36   0.866   7.708  10.353
  238   1HB   PHE  36          1HB       PHE  36   3.475   6.432  11.313
  239   2HB   PHE  36          2HB       PHE  36   3.056   6.346   9.613
  240    HD1  PHE  36           HD1      PHE  36   3.757   8.697  12.383
  241    HD2  PHE  36           HD2      PHE  36   3.381   8.202   8.185
  242    HE1  PHE  36           HE1      PHE  36   4.736  10.981  12.026
  243    HE2  PHE  36           HE2      PHE  36   4.359  10.486   7.829
  244    HZ   PHE  36           HZ       PHE  36   5.025  11.848   9.753
  245    H    GLU  37           HN       GLU  37  -0.141   6.301   8.931
  246    HA   GLU  37           HA       GLU  37   0.080   3.481   9.479
  247   1HB   GLU  37          1HB       GLU  37  -2.027   4.785  10.622
  248   2HB   GLU  37          2HB       GLU  37  -2.725   4.430   9.055
  249   1HG   GLU  37          1HG       GLU  37  -1.250   2.148  10.271
  250   2HG   GLU  37          2HG       GLU  37  -2.651   2.665  11.190
  251    HE2  GLU  37           HE2      GLU  37  -3.254   0.276  10.049
  252    H    LYS  38           HN       LYS  38  -0.625   2.141   7.638
  253    HA   LYS  38           HA       LYS  38   0.091   3.235   5.191
  254   1HB   LYS  38          1HB       LYS  38   0.313   0.884   5.614
  255   2HB   LYS  38          2HB       LYS  38  -1.402   0.706   5.927
  256   1HG   LYS  38          1HG       LYS  38  -1.635   0.185   3.728
  257   2HG   LYS  38          2HG       LYS  38  -1.358   1.881   3.385
  258   1HD   LYS  38          HD2       LYS  38   0.903   1.551   2.829
  259   2HD   LYS  38          HD3       LYS  38   1.048   0.108   3.815
  260   1HE   LYS  38          2HE       LYS  38   0.242  -1.281   2.154
  261   2HE   LYS  38          3HE       LYS  38  -0.917  -0.101   1.576
  262   1HZ   LYS  38          HZ1       LYS  38   1.987  -0.164   0.982
  263   2HZ   LYS  38          HZ2       LYS  38   0.761  -0.291  -0.082
  264    H    GLN  39           HN       GLN  39  -0.966   4.431   3.690
  265    HA   GLN  39           HA       GLN  39  -3.865   4.564   4.003
  266   1HB   GLN  39          1HB       GLN  39  -2.098   6.653   4.451
  267   2HB   GLN  39          2HB       GLN  39  -2.553   6.928   2.782
  268   1HG   GLN  39          1HG       GLN  39  -4.859   6.230   4.504
  269   2HG   GLN  39          2HG       GLN  39  -4.040   7.689   5.022
  270   1HE2  GLN  39          1HE2      GLN  39  -4.560   9.514   4.089
  271   2HE2  GLN  39          2HE2      GLN  39  -5.362   9.721   2.567
  Start of MODEL   13
    1   1H    MET   1           HN       MET   1   1.411   3.123  -3.284
    2    HA   MET   1           HA       MET   1   3.045   0.768  -3.251
    3   1HB   MET   1          1HB       MET   1   2.902   3.356  -4.682
    4   2HB   MET   1          2HB       MET   1   4.550   2.963  -4.232
    5   1HG   MET   1          1HG       MET   1   2.893   0.760  -5.450
    6   2HG   MET   1          2HG       MET   1   3.425   2.046  -6.516
    7   1HE   MET   1          1HE       MET   1   5.253   1.163  -7.999
    8   2HE   MET   1          2HE       MET   1   5.808   2.604  -7.113
    9   3HE   MET   1          3HE       MET   1   6.902   1.218  -7.331
   10    H    ASP   2           HN       ASP   2   3.166   0.729  -0.811
   11    HA   ASP   2           HA       ASP   2   4.074   1.209   1.115
   12   1HB   ASP   2          1HB       ASP   2   6.560   2.013  -0.449
   13   2HB   ASP   2          2HB       ASP   2   6.496   1.272   1.137
   14    HD2  ASP   2           HD2      ASP   2   5.711  -1.910  -0.285
   15    H    ILE   3           HN       ILE   3   2.926   3.137   1.774
   16    HA   ILE   3           HA       ILE   3   4.520   5.570   1.553
   17    HB   ILE   3           HB       ILE   3   1.635   5.272   0.743
   18   1HG1  ILE   3          2HG1      ILE   3   3.738   6.750  -0.798
   19   2HG1  ILE   3          3HG1      ILE   3   3.746   4.999  -0.831
   20   1HG2  ILE   3          1HG2      ILE   3   2.049   7.904   0.434
   21   2HG2  ILE   3          2HG2      ILE   3   1.333   7.194   1.900
   22   3HG2  ILE   3          3HG2      ILE   3   3.061   7.621   1.870
   23   1HD1  ILE   3          1HD1      ILE   3   2.371   6.138  -2.668
   24   2HD1  ILE   3          2HD1      ILE   3   1.510   4.897  -1.726
   25   3HD1  ILE   3          3HD1      ILE   3   1.230   6.622  -1.390
   26    H    TYR   4           HN       TYR   4   4.462   6.837   3.339
   27    HA   TYR   4           HA       TYR   4   2.879   5.767   5.630
   28   1HB   TYR   4          1HB       TYR   4   5.671   6.877   5.392
   29   2HB   TYR   4          2HB       TYR   4   4.794   6.990   6.927
   30    HD1  TYR   4           HD1      TYR   4   3.672   4.705   7.722
   31    HD2  TYR   4           HD2      TYR   4   6.995   5.014   5.018
   32    HE1  TYR   4           HE1      TYR   4   4.336   2.380   8.272
   33    HE2  TYR   4           HE2      TYR   4   7.659   2.689   5.567
   34    HH   TYR   4           HH       TYR   4   7.096   0.766   6.684
   35    H    VAL   5           HN       VAL   5   1.029   7.169   5.178
   36    HA   VAL   5           HA       VAL   5   1.613  10.018   5.187
   37    HB   VAL   5           HB       VAL   5  -0.951   8.458   4.816
   38   1HG1  VAL   5          1HG1      VAL   5  -0.504  11.393   4.220
   39   2HG1  VAL   5          2HG1      VAL   5  -2.037  10.489   4.250
   40   3HG1  VAL   5          3HG1      VAL   5  -1.167  10.812   5.767
   41   1HG2  VAL   5          1HG2      VAL   5  -0.233   8.111   2.733
   42   2HG2  VAL   5          2HG2      VAL   5  -0.257   9.872   2.475
   43   3HG2  VAL   5          3HG2      VAL   5   1.234   9.073   3.028
   44    H    CYS   6           HN       CYS   6   1.563  11.216   7.017
   45    HA   CYS   6           HA       CYS   6   1.155  10.059   9.492
   46   1HB   CYS   6          1HB       CYS   6   2.438  12.151   8.969
   47   2HB   CYS   6          2HB       CYS   6   0.911  12.997   8.824
   48    H    THR   7           HN       THR   7  -0.617  10.458  11.070
   49    HA   THR   7           HA       THR   7  -3.194  10.845   9.694
   50    HB   THR   7           HB       THR   7  -4.007   9.377  11.666
   51    HG1  THR   7           HG1      THR   7  -2.073   9.708  12.963
   52   1HG2  THR   7          1HG2      THR   7  -3.144   7.258  10.720
   53   2HG2  THR   7          2HG2      THR   7  -3.557   8.370   9.391
   54   3HG2  THR   7          3HG2      THR   7  -1.856   8.142   9.867
   55    H    VAL   8           HN       VAL   8  -1.127  12.739  11.140
   56    HA   VAL   8           HA       VAL   8  -3.092  13.855  13.015
   57    HB   VAL   8           HB       VAL   8  -0.083  13.959  12.890
   58   1HG1  VAL   8          1HG1      VAL   8  -1.920  15.991  13.897
   59   2HG1  VAL   8          2HG1      VAL   8  -0.845  15.367  15.170
   60   3HG1  VAL   8          3HG1      VAL   8  -0.155  16.053  13.679
   61   1HG2  VAL   8          1HG2      VAL   8  -1.439  12.064  14.037
   62   2HG2  VAL   8          2HG2      VAL   8  -0.104  12.829  14.934
   63   3HG2  VAL   8          3HG2      VAL   8  -1.789  13.286  15.284
   64    H    CYS   9           HN       CYS   9  -0.578  14.725  10.544
   65    HA   CYS   9           HA       CYS   9  -2.118  17.169  10.076
   66   1HB   CYS   9          1HB       CYS   9   0.052  17.858   8.865
   67   2HB   CYS   9          2HB       CYS   9  -0.016  17.912  10.615
   68    H    GLY  10           HN       GLY  10  -1.158  14.042   8.878
   69   1HA   GLY  10          HA1       GLY  10  -2.098  12.999   7.047
   70   2HA   GLY  10          HA2       GLY  10  -2.565  14.548   6.375
   71    H    TYR  11           HN       TYR  11   0.610  14.565   7.607
   72    HA   TYR  11           HA       TYR  11   1.952  15.304   5.351
   73   1HB   TYR  11          1HB       TYR  11   2.855  15.135   7.682
   74   2HB   TYR  11          2HB       TYR  11   3.031  13.388   7.443
   75    HD1  TYR  11           HD1      TYR  11   5.349  13.041   7.498
   76    HD2  TYR  11           HD2      TYR  11   3.728  16.157   5.025
   77    HE1  TYR  11           HE1      TYR  11   7.585  13.403   6.487
   78    HE2  TYR  11           HE2      TYR  11   5.963  16.519   4.014
   79    HH   TYR  11           HH       TYR  11   8.518  14.387   4.242
   80    H    GLU  12           HN       GLU  12   3.402  14.138   3.796
   81    HA   GLU  12           HA       GLU  12   2.489  11.399   3.407
   82   1HB   GLU  12          1HB       GLU  12   2.189  13.697   1.617
   83   2HB   GLU  12          2HB       GLU  12   3.092  12.413   0.841
   84   1HG   GLU  12          1HG       GLU  12   1.265  10.787   1.565
   85   2HG   GLU  12          2HG       GLU  12   0.344  12.160   2.149
   86    HE2  GLU  12           HE2      GLU  12  -0.045  11.170  -1.527
   87    H    TYR  13           HN       TYR  13   4.159  10.088   3.646
   88    HA   TYR  13           HA       TYR  13   6.882  11.094   3.018
   89   1HB   TYR  13          1HB       TYR  13   6.423  10.244   5.304
   90   2HB   TYR  13          2HB       TYR  13   5.968   8.678   4.615
   91    HD1  TYR  13           HD1      TYR  13   7.577   7.012   4.401
   92    HD2  TYR  13           HD2      TYR  13   8.824  11.113   4.679
   93    HE1  TYR  13           HE1      TYR  13   9.946   6.286   4.485
   94    HE2  TYR  13           HE2      TYR  13  11.194  10.387   4.762
   95    HH   TYR  13           HH       TYR  13  12.525   8.316   5.375
   96    H    ASP  14           HN       ASP  14   8.423   9.486   1.962
   97    HA   ASP  14           HA       ASP  14   6.944   7.589   0.334
   98   1HB   ASP  14          1HB       ASP  14   7.609   9.887  -0.807
   99   2HB   ASP  14          2HB       ASP  14   9.228   9.215  -0.826
  100    HD2  ASP  14           HD2      ASP  14   9.620   8.529  -2.694
  101    HA   PRO  15           HA       PRO  15  10.140   5.314   2.722
  102   1HB   PRO  15          1HB       PRO  15   9.013   3.371   0.651
  103   2HB   PRO  15          2HB       PRO  15   9.499   3.094   2.355
  104   1HG   PRO  15          1HG       PRO  15   7.032   3.548   1.600
  105   2HG   PRO  15          2HG       PRO  15   7.349   4.186   3.245
  106   1HD   PRO  15          HD2       PRO  15   6.817   5.641   0.735
  107   2HD   PRO  15          HD3       PRO  15   7.006   6.306   2.387
  108    H    ALA  16           HN       ALA  16  12.075   6.353   1.943
  109    HA   ALA  16           HA       ALA  16  13.511   4.933   0.023
  110   1HB   ALA  16          1HB       ALA  16  11.897   6.026  -1.539
  111   2HB   ALA  16          2HB       ALA  16  12.457   7.614  -0.962
  112   3HB   ALA  16          3HB       ALA  16  13.581   6.532  -1.820
  113    H    PHE  17           HN       PHE  17  14.508   5.246   2.305
  114    HA   PHE  17           HA       PHE  17  16.208   7.625   2.147
  115   1HB   PHE  17          1HB       PHE  17  14.182   6.916   4.091
  116   2HB   PHE  17          2HB       PHE  17  15.728   6.662   4.878
  117    HD1  PHE  17           HD1      PHE  17  16.346   8.426   6.208
  118    HD2  PHE  17           HD2      PHE  17  14.342   9.255   2.560
  119    HE1  PHE  17           HE1      PHE  17  16.514  10.886   6.674
  120    HE2  PHE  17           HE2      PHE  17  14.509  11.715   3.027
  121    HZ   PHE  17           HZ       PHE  17  15.594  12.501   5.079
  122    H    GLU  18           HN       GLU  18  17.740   7.027   4.486
  123    HA   GLU  18           HA       GLU  18  18.789   4.391   3.844
  124   1HB   GLU  18          1HB       GLU  18  20.063   6.506   2.856
  125   2HB   GLU  18          2HB       GLU  18  20.687   6.652   4.487
  126   1HG   GLU  18          1HG       GLU  18  22.095   4.883   4.213
  127   2HG   GLU  18          2HG       GLU  18  20.818   3.869   3.569
  128    HE2  GLU  18           HE2      GLU  18  23.460   5.612   1.252
  129    H    ASP  19           HN       ASP  19  19.299   7.209   6.098
  130    HA   ASP  19           HA       ASP  19  19.691   5.305   8.224
  131   1HB   ASP  19          1HB       ASP  19  20.540   8.015   7.629
  132   2HB   ASP  19          2HB       ASP  19  19.713   8.019   9.174
  133    HD2  ASP  19           HD2      ASP  19  21.255   8.123  10.538
  134    H    LEU  20           HN       LEU  20  17.710   4.572   9.062
  135    HA   LEU  20           HA       LEU  20  15.722   6.648   9.669
  136   1HB   LEU  20          1HB       LEU  20  15.050   5.230   7.771
  137   2HB   LEU  20          2HB       LEU  20  15.208   3.806   8.781
  138    HG   LEU  20           HG       LEU  20  13.447   5.804   9.984
  139   1HD1  LEU  20          1HD1      LEU  20  11.787   6.045   8.432
  140   2HD1  LEU  20          2HD1      LEU  20  13.209   6.041   7.360
  141   3HD1  LEU  20          3HD1      LEU  20  12.233   4.565   7.549
  142   1HD2  LEU  20          1HD2      LEU  20  12.452   3.979  10.802
  143   2HD2  LEU  20          2HD2      LEU  20  12.323   3.211   9.202
  144   3HD2  LEU  20          3HD2      LEU  20  13.837   3.086  10.130
  145    HA   PRO  21           HA       PRO  21  17.406   5.045  13.617
  146   1HB   PRO  21          1HB       PRO  21  15.968   7.625  14.328
  147   2HB   PRO  21          2HB       PRO  21  17.540   6.971  14.893
  148   1HG   PRO  21          1HG       PRO  21  17.482   8.949  12.958
  149   2HG   PRO  21          2HG       PRO  21  18.620   7.563  12.916
  150   1HD   PRO  21          HD2       PRO  21  15.956   7.969  11.465
  151   2HD   PRO  21          HD3       PRO  21  17.504   7.346  10.816
  152    H    ASP  22           HN       ASP  22  15.972   5.121  15.889
  153    HA   ASP  22           HA       ASP  22  13.397   4.070  15.029
  154   1HB   ASP  22          1HB       ASP  22  13.463   2.916  17.319
  155   2HB   ASP  22          2HB       ASP  22  14.630   2.349  16.140
  156    HD2  ASP  22           HD2      ASP  22  14.991   2.839  19.478
  157    H    ASP  23           HN       ASP  23  13.503   6.836  15.198
  158    HA   ASP  23           HA       ASP  23  11.657   7.358  17.230
  159   1HB   ASP  23          1HB       ASP  23  13.248   9.309  18.151
  160   2HB   ASP  23          2HB       ASP  23  13.253   7.711  18.869
  161    HD2  ASP  23           HD2      ASP  23  16.527   8.257  18.776
  162    H    TRP  24           HN       TRP  24  11.295   7.679  14.588
  163    HA   TRP  24           HA       TRP  24  12.191  10.304  13.746
  164   1HB   TRP  24          1HB       TRP  24  12.126   8.205  12.287
  165   2HB   TRP  24          2HB       TRP  24  10.387   8.417  12.243
  166    HD1  TRP  24           HD1      TRP  24  13.262  11.038  11.740
  167    HE1  TRP  24           HE1      TRP  24  12.875  12.406   9.518
  168    HE3  TRP  24           HE3      TRP  24   9.044   8.569  10.334
  169    HZ2  TRP  24           HZ2      TRP  24  10.895  12.304   7.466
  170    HZ3  TRP  24           HZ3      TRP  24   7.946   9.265   8.207
  171    HH2  TRP  24           HH2      TRP  24   8.804  11.063   6.792
  172    H    ALA  25           HN       ALA  25  10.825  12.110  13.571
  173    HA   ALA  25           HA       ALA  25   8.060  11.693  14.471
  174   1HB   ALA  25          1HB       ALA  25   8.916  14.279  15.273
  175   2HB   ALA  25          2HB       ALA  25   8.527  12.888  16.314
  176   3HB   ALA  25          3HB       ALA  25  10.200  13.148  15.765
  177    H    CYS  26           HN       CYS  26   6.509  12.727  13.248
  178    HA   CYS  26           HA       CYS  26   7.027  13.471  10.704
  179   1HB   CYS  26          1HB       CYS  26   4.795  13.066  11.946
  180   2HB   CYS  26          2HB       CYS  26   4.823  14.787  12.274
  181    HA   PRO  27           HA       PRO  27   9.661  17.043  11.436
  182   1HB   PRO  27          1HB       PRO  27   9.038  17.247   8.473
  183   2HB   PRO  27          2HB       PRO  27  10.598  17.365   9.349
  184   1HG   PRO  27          1HG       PRO  27  10.032  15.041   8.118
  185   2HG   PRO  27          2HG       PRO  27  10.854  15.056   9.712
  186   1HD   PRO  27          HD2       PRO  27   7.942  14.529   8.998
  187   2HD   PRO  27          HD3       PRO  27   8.953  13.766  10.263
  188    H    VAL  28           HN       VAL  28   6.361  16.826  10.149
  189    HA   VAL  28           HA       VAL  28   6.084  19.692  10.014
  190    HB   VAL  28           HB       VAL  28   4.134  17.402   9.702
  191   1HG1  VAL  28          1HG1      VAL  28   2.781  19.210  10.346
  192   2HG1  VAL  28          2HG1      VAL  28   3.772  20.392   9.458
  193   3HG1  VAL  28          3HG1      VAL  28   2.738  19.251   8.566
  194   1HG2  VAL  28          1HG2      VAL  28   5.956  17.604   7.982
  195   2HG2  VAL  28          2HG2      VAL  28   4.307  17.776   7.336
  196   3HG2  VAL  28          3HG2      VAL  28   5.322  19.218   7.580
  197    H    CYS  29           HN       CYS  29   3.700  17.519  11.558
  198    HA   CYS  29           HA       CYS  29   3.199  19.324  13.606
  199   1HB   CYS  29          1HB       CYS  29   1.987  17.408  14.671
  200   2HB   CYS  29          2HB       CYS  29   1.499  17.805  13.036
  201    H    GLY  30           HN       GLY  30   5.146  16.263  13.461
  202   1HA   GLY  30          HA1       GLY  30   7.301  16.323  14.587
  203   2HA   GLY  30          HA2       GLY  30   6.527  17.149  15.924
  204    H    ALA  31           HN       ALA  31   4.035  15.289  15.300
  205    HA   ALA  31           HA       ALA  31   4.280  13.565  17.366
  206   1HB   ALA  31          1HB       ALA  31   2.730  12.162  15.531
  207   2HB   ALA  31          2HB       ALA  31   2.147  13.433  16.633
  208   3HB   ALA  31          3HB       ALA  31   2.608  13.845  14.964
  209    H    SER  32           HN       SER  32   4.651  11.208  17.494
  210    HA   SER  32           HA       SER  32   7.076  10.559  16.263
  211   1HB   SER  32          1HB       SER  32   6.492   8.220  17.293
  212   2HB   SER  32          2HB       SER  32   6.789   9.572  18.367
  213    HG   SER  32           HG       SER  32   4.891   8.597  19.087
  214    H    LYS  33           HN       LYS  33   7.180   8.092  15.277
  215    HA   LYS  33           HA       LYS  33   5.470   8.244  12.935
  216   1HB   LYS  33          1HB       LYS  33   7.035   6.574  12.006
  217   2HB   LYS  33          2HB       LYS  33   7.839   8.038  12.534
  218   1HG   LYS  33          1HG       LYS  33   9.150   6.850  13.947
  219   2HG   LYS  33          2HG       LYS  33   7.738   6.243  14.788
  220   1HD   LYS  33          HD2       LYS  33   7.732   4.743  12.426
  221   2HD   LYS  33          HD3       LYS  33   9.442   4.906  12.772
  222   1HE   LYS  33          2HE       LYS  33   9.291   3.744  14.808
  223   2HE   LYS  33          3HE       LYS  33   7.612   4.177  15.058
  224   1HZ   LYS  33          HZ1       LYS  33   7.231   2.098  14.283
  225   2HZ   LYS  33          HZ2       LYS  33   7.490   2.702  12.794
  226    H    ASP  34           HN       ASP  34   4.124   7.626  15.375
  227    HA   ASP  34           HA       ASP  34   3.751   4.760  15.179
  228   1HB   ASP  34          1HB       ASP  34   2.329   5.128  17.263
  229   2HB   ASP  34          2HB       ASP  34   4.030   5.508  17.446
  230    HD2  ASP  34           HD2      ASP  34   1.817   8.160  18.808
  231    H    ALA  35           HN       ALA  35   1.886   7.888  15.383
  232    HA   ALA  35           HA       ALA  35  -0.612   6.848  14.796
  233   1HB   ALA  35          1HB       ALA  35  -1.251   9.046  14.812
  234   2HB   ALA  35          2HB       ALA  35   0.377   9.269  15.494
  235   3HB   ALA  35          3HB       ALA  35   0.092   9.556  13.761
  236    H    PHE  36           HN       PHE  36   2.221   7.300  12.786
  237    HA   PHE  36           HA       PHE  36   1.000   7.636  10.314
  238   1HB   PHE  36          1HB       PHE  36   3.578   6.442  11.426
  239   2HB   PHE  36          2HB       PHE  36   3.264   6.283   9.709
  240    HD1  PHE  36           HD1      PHE  36   3.624   8.790  12.420
  241    HD2  PHE  36           HD2      PHE  36   3.717   8.058   8.242
  242    HE1  PHE  36           HE1      PHE  36   4.551  11.091  12.037
  243    HE2  PHE  36           HE2      PHE  36   4.645  10.358   7.859
  244    HZ   PHE  36           HZ       PHE  36   5.051  11.848   9.761
  245    H    GLU  37           HN       GLU  37   0.067   6.253   8.828
  246    HA   GLU  37           HA       GLU  37   0.348   3.424   9.280
  247   1HB   GLU  37          1HB       GLU  37  -1.878   4.723  10.333
  248   2HB   GLU  37          2HB       GLU  37  -2.474   4.163   8.782
  249   1HG   GLU  37          1HG       GLU  37  -2.810   2.473  10.601
  250   2HG   GLU  37          2HG       GLU  37  -1.827   1.855   9.288
  251    HE2  GLU  37           HE2      GLU  37   1.080   1.722  11.199
  252    H    LYS  38           HN       LYS  38  -0.045   2.163   7.363
  253    HA   LYS  38           HA       LYS  38   0.498   3.513   4.978
  254   1HB   LYS  38          1HB       LYS  38   1.171   1.213   5.368
  255   2HB   LYS  38          2HB       LYS  38  -0.497   0.700   5.508
  256   1HG   LYS  38          1HG       LYS  38  -0.800   0.651   3.242
  257   2HG   LYS  38          2HG       LYS  38   0.008   2.188   3.007
  258   1HD   LYS  38          HD2       LYS  38   1.548   0.798   1.962
  259   2HD   LYS  38          HD3       LYS  38   2.201   0.768   3.588
  260   1HE   LYS  38          2HE       LYS  38   2.088  -1.529   2.842
  261   2HE   LYS  38          3HE       LYS  38   0.821  -1.326   4.035
  262   1HZ   LYS  38          HZ1       LYS  38   0.007  -0.761   1.309
  263   2HZ   LYS  38          HZ2       LYS  38   0.396  -2.319   1.581
  264    H    GLN  39           HN       GLN  39  -0.797   4.732   3.721
  265    HA   GLN  39           HA       GLN  39  -3.583   3.943   3.570
  266   1HB   GLN  39          1HB       GLN  39  -2.549   6.707   4.298
  267   2HB   GLN  39          2HB       GLN  39  -4.148   6.474   3.621
  268   1HG   GLN  39          1HG       GLN  39  -3.609   4.585   5.817
  269   2HG   GLN  39          2HG       GLN  39  -3.435   6.250   6.336
  270   1HE2  GLN  39          1HE2      GLN  39  -5.562   4.167   4.389
  271   2HE2  GLN  39          2HE2      GLN  39  -7.069   4.862   4.885
  Start of MODEL   14
    1   1H    MET   1           HN       MET   1   6.662   0.830  -2.918
    2    HA   MET   1           HA       MET   1   4.638   2.408  -4.211
    3   1HB   MET   1          1HB       MET   1   4.989  -0.464  -3.308
    4   2HB   MET   1          2HB       MET   1   3.351   0.117  -3.536
    5   1HG   MET   1          1HG       MET   1   4.215   0.985  -5.867
    6   2HG   MET   1          2HG       MET   1   5.573  -0.091  -5.601
    7   1HE   MET   1          1HE       MET   1   2.568  -1.182  -8.046
    8   2HE   MET   1          2HE       MET   1   3.924  -0.046  -7.857
    9   3HE   MET   1          3HE       MET   1   4.243  -1.781  -8.096
   10    H    ASP   2           HN       ASP   2   4.950   0.553  -1.091
   11    HA   ASP   2           HA       ASP   2   2.676   1.266   0.086
   12   1HB   ASP   2          1HB       ASP   2   4.204   1.396   2.265
   13   2HB   ASP   2          2HB       ASP   2   3.982  -0.121   1.416
   14    HD2  ASP   2           HD2      ASP   2   7.110  -0.716   1.273
   15    H    ILE   3           HN       ILE   3   2.190   2.996   1.782
   16    HA   ILE   3           HA       ILE   3   3.809   5.406   1.466
   17    HB   ILE   3           HB       ILE   3   0.853   5.160   0.938
   18   1HG1  ILE   3          2HG1      ILE   3   3.049   6.431  -0.719
   19   2HG1  ILE   3          3HG1      ILE   3   2.512   4.775  -0.922
   20   1HG2  ILE   3          1HG2      ILE   3   1.406   7.045   2.530
   21   2HG2  ILE   3          2HG2      ILE   3   2.364   7.765   1.215
   22   3HG2  ILE   3          3HG2      ILE   3   0.614   7.516   1.007
   23   1HD1  ILE   3          1HD1      ILE   3   0.363   6.866  -0.868
   24   2HD1  ILE   3          2HD1      ILE   3   1.424   6.838  -2.297
   25   3HD1  ILE   3          3HD1      ILE   3   0.488   5.389  -1.854
   26    H    TYR   4           HN       TYR   4   3.869   6.702   3.254
   27    HA   TYR   4           HA       TYR   4   2.444   5.665   5.660
   28   1HB   TYR   4          1HB       TYR   4   5.285   6.711   5.417
   29   2HB   TYR   4          2HB       TYR   4   4.470   6.334   6.944
   30    HD1  TYR   4           HD1      TYR   4   3.367   3.865   6.962
   31    HD2  TYR   4           HD2      TYR   4   6.704   5.104   4.559
   32    HE1  TYR   4           HE1      TYR   4   4.107   1.505   6.773
   33    HE2  TYR   4           HE2      TYR   4   7.443   2.745   4.368
   34    HH   TYR   4           HH       TYR   4   5.634   0.136   4.928
   35    H    VAL   5           HN       VAL   5   0.745   7.288   5.371
   36    HA   VAL   5           HA       VAL   5   1.704  10.044   5.516
   37    HB   VAL   5           HB       VAL   5  -0.978   8.808   4.880
   38   1HG1  VAL   5          1HG1      VAL   5  -0.947  11.576   4.231
   39   2HG1  VAL   5          2HG1      VAL   5  -1.968  10.732   5.419
   40   3HG1  VAL   5          3HG1      VAL   5  -0.407  11.423   5.919
   41   1HG2  VAL   5          1HG2      VAL   5   1.248   9.202   3.273
   42   2HG2  VAL   5          2HG2      VAL   5  -0.428   8.984   2.714
   43   3HG2  VAL   5          3HG2      VAL   5   0.232  10.623   2.928
   44    H    CYS   6           HN       CYS   6   1.822  11.034   7.459
   45    HA   CYS   6           HA       CYS   6   1.231   9.820   9.820
   46   1HB   CYS   6          1HB       CYS   6   2.645  11.832   9.507
   47   2HB   CYS   6          2HB       CYS   6   1.200  12.797   9.280
   48    H    THR   7           HN       THR   7  -0.556  10.078  11.358
   49    HA   THR   7           HA       THR   7  -3.084  10.730  10.001
   50    HB   THR   7           HB       THR   7  -4.044   9.137  11.712
   51    HG1  THR   7           HG1      THR   7  -2.231   9.568  13.239
   52   1HG2  THR   7          1HG2      THR   7  -3.618   7.506  10.170
   53   2HG2  THR   7          2HG2      THR   7  -2.222   8.421   9.554
   54   3HG2  THR   7          3HG2      THR   7  -2.013   7.283  10.907
   55    H    VAL   8           HN       VAL   8  -1.075  12.582  11.379
   56    HA   VAL   8           HA       VAL   8  -2.973  13.612  13.375
   57    HB   VAL   8           HB       VAL   8   0.014  13.428  13.324
   58   1HG1  VAL   8          1HG1      VAL   8  -1.607  15.589  14.695
   59   2HG1  VAL   8          2HG1      VAL   8   0.022  15.112  15.232
   60   3HG1  VAL   8          3HG1      VAL   8  -0.217  15.777  13.598
   61   1HG2  VAL   8          1HG2      VAL   8  -1.307  11.760  14.567
   62   2HG2  VAL   8          2HG2      VAL   8  -0.299  12.747  15.653
   63   3HG2  VAL   8          3HG2      VAL   8  -2.046  13.064  15.527
   64    H    CYS   9           HN       CYS   9  -0.398  14.505  10.975
   65    HA   CYS   9           HA       CYS   9  -1.826  17.035  10.627
   66   1HB   CYS   9          1HB       CYS   9   0.376  17.687   9.457
   67   2HB   CYS   9          2HB       CYS   9   0.308  17.647  11.208
   68    H    GLY  10           HN       GLY  10  -0.841  13.964   9.220
   69   1HA   GLY  10          HA1       GLY  10  -1.815  13.026   7.344
   70   2HA   GLY  10          HA2       GLY  10  -2.316  14.610   6.785
   71    H    TYR  11           HN       TYR  11   0.910  14.384   7.988
   72    HA   TYR  11           HA       TYR  11   2.183  15.335   5.709
   73   1HB   TYR  11          1HB       TYR  11   3.160  15.204   7.979
   74   2HB   TYR  11          2HB       TYR  11   3.291  13.446   7.814
   75    HD1  TYR  11           HD1      TYR  11   5.571  12.961   7.767
   76    HD2  TYR  11           HD2      TYR  11   4.052  16.177   5.358
   77    HE1  TYR  11           HE1      TYR  11   7.800  13.226   6.715
   78    HE2  TYR  11           HE2      TYR  11   6.281  16.441   4.304
   79    HH   TYR  11           HH       TYR  11   8.387  14.912   3.907
   80    H    GLU  12           HN       GLU  12   3.722  14.197   4.176
   81    HA   GLU  12           HA       GLU  12   2.716  11.510   3.644
   82   1HB   GLU  12          1HB       GLU  12   3.069  13.870   1.835
   83   2HB   GLU  12          2HB       GLU  12   3.524  12.314   1.171
   84   1HG   GLU  12          1HG       GLU  12   1.346  11.459   1.283
   85   2HG   GLU  12          2HG       GLU  12   0.895  12.481   2.636
   86    HE2  GLU  12           HE2      GLU  12   1.051  12.415  -0.819
   87    H    TYR  13           HN       TYR  13   4.201   9.944   3.347
   88    HA   TYR  13           HA       TYR  13   7.066  10.776   3.312
   89   1HB   TYR  13          1HB       TYR  13   6.671   9.811   5.427
   90   2HB   TYR  13          2HB       TYR  13   5.608   8.561   4.758
   91    HD1  TYR  13           HD1      TYR  13   6.729   6.876   3.087
   92    HD2  TYR  13           HD2      TYR  13   8.890   9.296   5.903
   93    HE1  TYR  13           HE1      TYR  13   8.650   5.313   2.957
   94    HE2  TYR  13           HE2      TYR  13  10.811   7.733   5.772
   95    HH   TYR  13           HH       TYR  13  11.163   5.206   5.138
   96    H    ASP  14           HN       ASP  14   8.534   9.469   2.006
   97    HA   ASP  14           HA       ASP  14   7.048   7.872   0.070
   98   1HB   ASP  14          1HB       ASP  14   8.447  10.124  -0.496
   99   2HB   ASP  14          2HB       ASP  14   9.777   8.985  -0.558
  100    HD2  ASP  14           HD2      ASP  14   6.725   8.041  -2.848
  101    HA   PRO  15           HA       PRO  15   9.758   4.587   1.396
  102   1HB   PRO  15          1HB       PRO  15   9.165   2.758  -0.545
  103   2HB   PRO  15          2HB       PRO  15   7.960   3.275   0.679
  104   1HG   PRO  15          1HG       PRO  15   8.000   4.250  -2.337
  105   2HG   PRO  15          2HG       PRO  15   6.954   3.675  -0.998
  106   1HD   PRO  15          HD2       PRO  15   7.771   6.411  -1.663
  107   2HD   PRO  15          HD3       PRO  15   6.713   5.871  -0.324
  108    H    ALA  16           HN       ALA  16  11.604   6.254   0.714
  109    HA   ALA  16           HA       ALA  16  13.398   4.819  -0.909
  110   1HB   ALA  16          1HB       ALA  16  12.838   7.448  -2.202
  111   2HB   ALA  16          2HB       ALA  16  13.348   5.904  -2.924
  112   3HB   ALA  16          3HB       ALA  16  11.643   6.159  -2.481
  113    H    PHE  17           HN       PHE  17  14.139   5.232   1.424
  114    HA   PHE  17           HA       PHE  17  15.709   7.695   1.387
  115   1HB   PHE  17          1HB       PHE  17  13.742   6.604   3.446
  116   2HB   PHE  17          2HB       PHE  17  15.132   7.498   4.028
  117    HD1  PHE  17           HD1      PHE  17  15.177   9.855   3.953
  118    HD2  PHE  17           HD2      PHE  17  12.144   7.753   1.857
  119    HE1  PHE  17           HE1      PHE  17  13.961  12.013   3.546
  120    HE2  PHE  17           HE2      PHE  17  10.929   9.912   1.450
  121    HZ   PHE  17           HZ       PHE  17  11.852  12.016   2.300
  122    H    GLU  18           HN       GLU  18  17.461   7.596   3.187
  123    HA   GLU  18           HA       GLU  18  18.232   4.828   3.631
  124   1HB   GLU  18          1HB       GLU  18  19.449   6.427   1.710
  125   2HB   GLU  18          2HB       GLU  18  20.497   6.659   3.095
  126   1HG   GLU  18          1HG       GLU  18  21.099   4.388   3.206
  127   2HG   GLU  18          2HG       GLU  18  19.625   3.847   2.430
  128    HE2  GLU  18           HE2      GLU  18  19.920   3.326   0.334
  129    H    ASP  19           HN       ASP  19  16.992   5.949   5.658
  130    HA   ASP  19           HA       ASP  19  18.826   6.036   7.669
  131   1HB   ASP  19          1HB       ASP  19  18.980   8.442   6.328
  132   2HB   ASP  19          2HB       ASP  19  17.755   8.822   7.523
  133    HD2  ASP  19           HD2      ASP  19  19.091   7.599   9.934
  134    H    LEU  20           HN       LEU  20  17.166   4.771   8.683
  135    HA   LEU  20           HA       LEU  20  14.776   6.300   9.428
  136   1HB   LEU  20          1HB       LEU  20  14.724   4.269   7.628
  137   2HB   LEU  20          2HB       LEU  20  14.476   3.381   9.117
  138    HG   LEU  20           HG       LEU  20  12.575   4.964   9.644
  139   1HD1  LEU  20          1HD1      LEU  20  12.532   6.846   8.435
  140   2HD1  LEU  20          2HD1      LEU  20  13.500   6.141   7.117
  141   3HD1  LEU  20          3HD1      LEU  20  11.744   5.852   7.187
  142   1HD2  LEU  20          1HD2      LEU  20  11.628   3.026   9.016
  143   2HD2  LEU  20          2HD2      LEU  20  11.226   3.912   7.526
  144   3HD2  LEU  20          3HD2      LEU  20  12.662   2.862   7.577
  145    HA   PRO  21           HA       PRO  21  17.133   5.042  13.151
  146   1HB   PRO  21          1HB       PRO  21  15.914   7.603  14.110
  147   2HB   PRO  21          2HB       PRO  21  17.623   7.058  14.096
  148   1HG   PRO  21          1HG       PRO  21  16.720   8.989  12.386
  149   2HG   PRO  21          2HG       PRO  21  18.021   7.865  11.877
  150   1HD   PRO  21          HD2       PRO  21  15.018   7.777  11.346
  151   2HD   PRO  21          HD3       PRO  21  16.370   7.383  10.243
  152    H    ASP  22           HN       ASP  22  16.144   5.075  15.571
  153    HA   ASP  22           HA       ASP  22  13.441   4.084  15.211
  154   1HB   ASP  22          1HB       ASP  22  13.913   3.170  17.612
  155   2HB   ASP  22          2HB       ASP  22  14.726   2.408  16.260
  156    HD2  ASP  22           HD2      ASP  22  15.328   4.134  19.174
  157    H    ASP  23           HN       ASP  23  13.760   6.912  15.219
  158    HA   ASP  23           HA       ASP  23  12.129   7.587  17.399
  159   1HB   ASP  23          1HB       ASP  23  13.825   9.471  18.142
  160   2HB   ASP  23          2HB       ASP  23  13.969   7.859  18.816
  161    HD2  ASP  23           HD2      ASP  23  15.775   6.634  18.111
  162    H    TRP  24           HN       TRP  24  11.651   7.773  14.701
  163    HA   TRP  24           HA       TRP  24  12.464  10.401  13.774
  164   1HB   TRP  24          1HB       TRP  24  12.427   8.262  12.365
  165   2HB   TRP  24          2HB       TRP  24  10.684   8.436  12.346
  166    HD1  TRP  24           HD1      TRP  24  13.533  11.057  11.702
  167    HE1  TRP  24           HE1      TRP  24  13.066  12.386   9.471
  168    HE3  TRP  24           HE3      TRP  24   9.250   8.588  10.510
  169    HZ2  TRP  24           HZ2      TRP  24  11.004  12.259   7.502
  170    HZ3  TRP  24           HZ3      TRP  24   8.072   9.252   8.417
  171    HH2  TRP  24           HH2      TRP  24   8.882  11.019   6.935
  172    H    ALA  25           HN       ALA  25  11.046  12.163  13.611
  173    HA   ALA  25           HA       ALA  25   8.312  11.678  14.567
  174   1HB   ALA  25          1HB       ALA  25   9.081  14.294  15.324
  175   2HB   ALA  25          2HB       ALA  25   8.796  12.899  16.391
  176   3HB   ALA  25          3HB       ALA  25  10.435  13.234  15.784
  177    H    CYS  26           HN       CYS  26   6.698  12.701  13.399
  178    HA   CYS  26           HA       CYS  26   7.045  13.342  10.828
  179   1HB   CYS  26          1HB       CYS  26   4.937  13.356  12.570
  180   2HB   CYS  26          2HB       CYS  26   5.052  15.055  12.159
  181    HA   PRO  27           HA       PRO  27   9.400  17.083  10.765
  182   1HB   PRO  27          1HB       PRO  27   8.907  17.822   8.174
  183   2HB   PRO  27          2HB       PRO  27   9.895  16.384   8.593
  184   1HG   PRO  27          1HG       PRO  27   6.797  16.096   7.641
  185   2HG   PRO  27          2HG       PRO  27   8.493  15.602   7.332
  186   1HD   PRO  27          HD2       PRO  27   6.655  14.456   9.223
  187   2HD   PRO  27          HD3       PRO  27   8.419  14.160   9.145
  188    H    VAL  28           HN       VAL  28   5.971  16.825  10.756
  189    HA   VAL  28           HA       VAL  28   5.746  19.754  10.699
  190    HB   VAL  28           HB       VAL  28   3.647  17.642  10.166
  191   1HG1  VAL  28          1HG1      VAL  28   2.328  19.369  10.860
  192   2HG1  VAL  28          2HG1      VAL  28   3.554  20.605  10.485
  193   3HG1  VAL  28          3HG1      VAL  28   2.576  19.896   9.178
  194   1HG2  VAL  28          1HG2      VAL  28   5.695  18.587   8.473
  195   2HG2  VAL  28          2HG2      VAL  28   4.265  17.627   8.023
  196   3HG2  VAL  28          3HG2      VAL  28   4.204  19.404   7.944
  197    H    CYS  29           HN       CYS  29   3.298  17.484  11.935
  198    HA   CYS  29           HA       CYS  29   2.768  18.798  14.212
  199   1HB   CYS  29          1HB       CYS  29   1.926  16.662  15.126
  200   2HB   CYS  29          2HB       CYS  29   1.384  17.003  13.494
  201    H    GLY  30           HN       GLY  30   5.184  16.117  13.763
  202   1HA   GLY  30          HA1       GLY  30   7.346  16.303  14.749
  203   2HA   GLY  30          HA2       GLY  30   6.646  17.173  16.099
  204    H    ALA  31           HN       ALA  31   4.271  15.016  15.660
  205    HA   ALA  31           HA       ALA  31   4.832  13.481  17.863
  206   1HB   ALA  31          1HB       ALA  31   2.698  12.924  17.449
  207   2HB   ALA  31          2HB       ALA  31   2.809  13.711  15.856
  208   3HB   ALA  31          3HB       ALA  31   3.207  11.984  16.026
  209    H    SER  32           HN       SER  32   5.138  11.026  17.913
  210    HA   SER  32           HA       SER  32   7.542  10.478  16.541
  211   1HB   SER  32          1HB       SER  32   7.461   8.321  17.752
  212   2HB   SER  32          2HB       SER  32   7.140   9.665  18.830
  213    HG   SER  32           HG       SER  32   5.645   7.878  19.137
  214    H    LYS  33           HN       LYS  33   7.680   8.026  15.564
  215    HA   LYS  33           HA       LYS  33   5.841   8.083  13.339
  216   1HB   LYS  33          1HB       LYS  33   7.335   6.549  12.298
  217   2HB   LYS  33          2HB       LYS  33   8.310   7.781  13.072
  218   1HG   LYS  33          1HG       LYS  33   7.735   5.520  14.881
  219   2HG   LYS  33          2HG       LYS  33   8.563   5.006  13.424
  220   1HD   LYS  33          HD2       LYS  33  10.523   5.976  14.068
  221   2HD   LYS  33          HD3       LYS  33   9.733   7.481  14.494
  222   1HE   LYS  33          2HE       LYS  33  10.434   6.814  16.609
  223   2HE   LYS  33          3HE       LYS  33   8.852   6.059  16.587
  224   1HZ   LYS  33          HZ1       LYS  33  10.342   4.144  15.451
  225   2HZ   LYS  33          HZ2       LYS  33  11.462   4.798  16.437
  226    H    ASP  34           HN       ASP  34   4.332   7.666  15.565
  227    HA   ASP  34           HA       ASP  34   3.936   4.778  15.561
  228   1HB   ASP  34          1HB       ASP  34   4.415   5.795  17.788
  229   2HB   ASP  34          2HB       ASP  34   3.065   6.895  17.586
  230    HD2  ASP  34           HD2      ASP  34   1.811   4.285  19.673
  231    H    ALA  35           HN       ALA  35   2.528   8.044  15.150
  232    HA   ALA  35           HA       ALA  35  -0.126   6.959  14.702
  233   1HB   ALA  35          1HB       ALA  35   0.862   9.323  15.774
  234   2HB   ALA  35          2HB       ALA  35   0.334   9.810  14.146
  235   3HB   ALA  35          3HB       ALA  35  -0.817   9.035  15.262
  236    H    PHE  36           HN       PHE  36   1.786   5.905  12.916
  237    HA   PHE  36           HA       PHE  36   1.067   7.332  10.451
  238   1HB   PHE  36          1HB       PHE  36   3.564   5.937  11.493
  239   2HB   PHE  36          2HB       PHE  36   3.266   5.879   9.766
  240    HD1  PHE  36           HD1      PHE  36   2.895   8.570  12.338
  241    HD2  PHE  36           HD2      PHE  36   4.631   7.359   8.660
  242    HE1  PHE  36           HE1      PHE  36   3.933  10.841  12.082
  243    HE2  PHE  36           HE2      PHE  36   5.669   9.630   8.403
  244    HZ   PHE  36           HZ       PHE  36   5.308  11.344  10.117
  245    H    GLU  37           HN       GLU  37   0.206   6.122   8.754
  246    HA   GLU  37           HA       GLU  37   0.393   3.308   8.760
  247   1HB   GLU  37          1HB       GLU  37  -1.520   4.071  10.485
  248   2HB   GLU  37          2HB       GLU  37  -2.467   4.216   9.017
  249   1HG   GLU  37          1HG       GLU  37  -2.423   1.929   8.585
  250   2HG   GLU  37          2HG       GLU  37  -0.844   1.707   9.312
  251    HE2  GLU  37           HE2      GLU  37  -1.968   1.138  12.448
  252    H    LYS  38           HN       LYS  38  -0.550   2.370   6.775
  253    HA   LYS  38           HA       LYS  38  -0.168   3.924   4.553
  254   1HB   LYS  38          1HB       LYS  38  -0.217   1.421   4.692
  255   2HB   LYS  38          2HB       LYS  38  -1.967   1.492   4.756
  256   1HG   LYS  38          1HG       LYS  38  -2.135   1.858   2.515
  257   2HG   LYS  38          2HG       LYS  38  -0.933   3.132   2.552
  258   1HD   LYS  38          HD2       LYS  38   0.097   1.492   1.203
  259   2HD   LYS  38          HD3       LYS  38   0.825   1.208   2.773
  260   1HE   LYS  38          2HE       LYS  38  -1.713  -0.276   2.052
  261   2HE   LYS  38          3HE       LYS  38  -0.195  -0.815   1.363
  262   1HZ   LYS  38          HZ1       LYS  38   0.294  -0.397   4.064
  263   2HZ   LYS  38          HZ2       LYS  38  -1.132  -1.182   4.010
  264    H    GLN  39           HN       GLN  39  -1.393   5.289   3.290
  265    HA   GLN  39           HA       GLN  39  -4.201   5.358   3.567
  266   1HB   GLN  39          1HB       GLN  39  -2.555   7.223   5.175
  267   2HB   GLN  39          2HB       GLN  39  -3.756   8.031   4.188
  268   1HG   GLN  39          1HG       GLN  39  -5.312   6.027   5.157
  269   2HG   GLN  39          2HG       GLN  39  -4.146   6.106   6.463
  270   1HE2  GLN  39          1HE2      GLN  39  -3.895   8.002   7.661
  271   2HE2  GLN  39          2HE2      GLN  39  -5.112   9.233   7.728
  Start of MODEL   15
    1   1H    MET   1           HN       MET   1   1.835   0.168   0.873
    2    HA   MET   1           HA       MET   1   2.513  -1.260  -1.182
    3   1HB   MET   1          1HB       MET   1   1.230   1.143  -2.219
    4   2HB   MET   1          2HB       MET   1   2.910   1.159  -2.716
    5   1HG   MET   1          1HG       MET   1   2.666  -0.679  -4.097
    6   2HG   MET   1          2HG       MET   1   1.549  -1.484  -3.012
    7   1HE   MET   1          1HE       MET   1  -0.430  -1.071  -6.398
    8   2HE   MET   1          2HE       MET   1   1.317  -1.340  -6.191
    9   3HE   MET   1          3HE       MET   1   0.154  -2.224  -5.175
   10    H    ASP   2           HN       ASP   2   3.143   2.239  -0.390
   11    HA   ASP   2           HA       ASP   2   5.422   1.730   1.037
   12   1HB   ASP   2          1HB       ASP   2   7.193   2.482  -0.552
   13   2HB   ASP   2          2HB       ASP   2   6.460   0.969  -1.049
   14    HD2  ASP   2           HD2      ASP   2   7.474   2.789  -3.447
   15    H    ILE   3           HN       ILE   3   3.752   3.408   1.928
   16    HA   ILE   3           HA       ILE   3   4.786   6.036   1.399
   17    HB   ILE   3           HB       ILE   3   2.078   5.184   0.489
   18   1HG1  ILE   3          2HG1      ILE   3   2.987   7.357  -0.987
   19   2HG1  ILE   3          3HG1      ILE   3   4.459   6.486  -0.607
   20   1HG2  ILE   3          1HG2      ILE   3   1.138   6.748   1.821
   21   2HG2  ILE   3          2HG2      ILE   3   2.663   7.641   2.044
   22   3HG2  ILE   3          3HG2      ILE   3   1.717   7.852   0.551
   23   1HD1  ILE   3          1HD1      ILE   3   1.954   5.277  -1.869
   24   2HD1  ILE   3          2HD1      ILE   3   3.483   5.638  -2.707
   25   3HD1  ILE   3          3HD1      ILE   3   3.431   4.373  -1.457
   26    H    TYR   4           HN       TYR   4   4.534   7.381   3.125
   27    HA   TYR   4           HA       TYR   4   3.058   6.270   5.463
   28   1HB   TYR   4          1HB       TYR   4   5.863   7.381   5.273
   29   2HB   TYR   4          2HB       TYR   4   4.967   7.374   6.802
   30    HD1  TYR   4           HD1      TYR   4   4.086   5.125   7.669
   31    HD2  TYR   4           HD2      TYR   4   7.018   5.469   4.548
   32    HE1  TYR   4           HE1      TYR   4   4.785   2.779   8.068
   33    HE2  TYR   4           HE2      TYR   4   7.718   3.123   4.947
   34    HH   TYR   4           HH       TYR   4   7.163   1.131   6.015
   35    H    VAL   5           HN       VAL   5   1.244   7.702   5.093
   36    HA   VAL   5           HA       VAL   5   1.942  10.546   5.175
   37    HB   VAL   5           HB       VAL   5  -0.630   9.138   4.431
   38   1HG1  VAL   5          1HG1      VAL   5  -1.653  11.148   4.169
   39   2HG1  VAL   5          2HG1      VAL   5  -0.471  11.658   5.397
   40   3HG1  VAL   5          3HG1      VAL   5  -0.155  11.972   3.674
   41   1HG2  VAL   5          1HG2      VAL   5   1.734  10.067   2.857
   42   2HG2  VAL   5          2HG2      VAL   5   0.662   8.669   2.602
   43   3HG2  VAL   5          3HG2      VAL   5   0.118  10.302   2.148
   44    H    CYS   6           HN       CYS   6   1.785  11.593   7.085
   45    HA   CYS   6           HA       CYS   6   1.009  10.334   9.405
   46   1HB   CYS   6          1HB       CYS   6   2.420  12.427   9.099
   47   2HB   CYS   6          2HB       CYS   6   0.917  13.319   8.963
   48    H    THR   7           HN       THR   7  -0.911  10.835  10.817
   49    HA   THR   7           HA       THR   7  -3.289  11.405   9.169
   50    HB   THR   7           HB       THR   7  -4.381   9.882  10.992
   51    HG1  THR   7           HG1      THR   7  -2.537   9.924  12.432
   52   1HG2  THR   7          1HG2      THR   7  -3.041   7.772   9.983
   53   2HG2  THR   7          2HG2      THR   7  -4.205   8.675   8.985
   54   3HG2  THR   7          3HG2      THR   7  -2.461   8.997   8.831
   55    H    VAL   8           HN       VAL   8  -1.242  12.852  11.277
   56    HA   VAL   8           HA       VAL   8  -3.356  14.005  12.924
   57    HB   VAL   8           HB       VAL   8  -0.345  14.017  13.012
   58   1HG1  VAL   8          1HG1      VAL   8  -2.215  15.643  14.770
   59   2HG1  VAL   8          2HG1      VAL   8  -0.453  15.488  14.965
   60   3HG1  VAL   8          3HG1      VAL   8  -1.121  16.299  13.528
   61   1HG2  VAL   8          1HG2      VAL   8  -2.547  12.692  14.491
   62   2HG2  VAL   8          2HG2      VAL   8  -0.882  12.149  14.175
   63   3HG2  VAL   8          3HG2      VAL   8  -1.207  13.308  15.486
   64    H    CYS   9           HN       CYS   9  -0.683  14.971  10.668
   65    HA   CYS   9           HA       CYS   9  -2.103  17.507  10.324
   66   1HB   CYS   9          1HB       CYS   9   0.188  18.104   9.200
   67   2HB   CYS   9          2HB       CYS   9  -0.029  18.189  10.936
   68    H    GLY  10           HN       GLY  10  -1.108  14.460   8.894
   69   1HA   GLY  10          HA1       GLY  10  -1.994  13.571   6.959
   70   2HA   GLY  10          HA2       GLY  10  -2.478  15.166   6.420
   71    H    TYR  11           HN       TYR  11   0.709  14.880   7.729
   72    HA   TYR  11           HA       TYR  11   2.060  15.895   5.521
   73   1HB   TYR  11          1HB       TYR  11   2.918  15.656   7.861
   74   2HB   TYR  11          2HB       TYR  11   3.138  13.923   7.562
   75    HD1  TYR  11           HD1      TYR  11   5.436  13.541   7.554
   76    HD2  TYR  11           HD2      TYR  11   3.852  16.882   5.369
   77    HE1  TYR  11           HE1      TYR  11   7.685  13.989   6.609
   78    HE2  TYR  11           HE2      TYR  11   6.101  17.331   4.424
   79    HH   TYR  11           HH       TYR  11   8.405  15.541   4.071
   80    H    GLU  12           HN       GLU  12   3.594  14.825   3.969
   81    HA   GLU  12           HA       GLU  12   2.694  12.109   3.401
   82   1HB   GLU  12          1HB       GLU  12   2.716  14.515   1.670
   83   2HB   GLU  12          2HB       GLU  12   3.454  13.111   0.927
   84   1HG   GLU  12          1HG       GLU  12   1.156  12.045   2.124
   85   2HG   GLU  12          2HG       GLU  12   0.614  13.617   1.569
   86    HE2  GLU  12           HE2      GLU  12  -0.168  13.422  -0.467
   87    H    TYR  13           HN       TYR  13   4.262  10.638   3.117
   88    HA   TYR  13           HA       TYR  13   7.068  11.637   2.963
   89   1HB   TYR  13          1HB       TYR  13   6.438  10.590   5.128
   90   2HB   TYR  13          2HB       TYR  13   5.998   9.109   4.260
   91    HD1  TYR  13           HD1      TYR  13   7.564   7.411   4.177
   92    HD2  TYR  13           HD2      TYR  13   8.910  11.474   4.549
   93    HE1  TYR  13           HE1      TYR  13   9.910   6.620   4.337
   94    HE2  TYR  13           HE2      TYR  13  11.255  10.683   4.709
   95    HH   TYR  13           HH       TYR  13  12.565   8.708   5.198
   96    H    ASP  14           HN       ASP  14   8.588  10.325   1.675
   97    HA   ASP  14           HA       ASP  14   7.178   8.518  -0.121
   98   1HB   ASP  14          1HB       ASP  14   7.858  10.914  -1.017
   99   2HB   ASP  14          2HB       ASP  14   9.484  10.261  -1.047
  100    HD2  ASP  14           HD2      ASP  14   9.181  10.234  -3.819
  101    HA   PRO  15           HA       PRO  15  10.353   6.091   2.171
  102   1HB   PRO  15          1HB       PRO  15   9.203   4.275  -0.001
  103   2HB   PRO  15          2HB       PRO  15   9.695   3.899   1.683
  104   1HG   PRO  15          1HG       PRO  15   7.119   4.429   1.057
  105   2HG   PRO  15          2HG       PRO  15   7.698   4.981   2.662
  106   1HD   PRO  15          HD2       PRO  15   7.031   6.545   0.203
  107   2HD   PRO  15          HD3       PRO  15   7.215   7.116   1.889
  108    H    ALA  16           HN       ALA  16  12.493   6.531   1.631
  109    HA   ALA  16           HA       ALA  16  13.791   5.432  -0.464
  110   1HB   ALA  16          1HB       ALA  16  13.949   7.851  -1.763
  111   2HB   ALA  16          2HB       ALA  16  12.921   6.491  -2.274
  112   3HB   ALA  16          3HB       ALA  16  12.232   7.807  -1.295
  113    H    PHE  17           HN       PHE  17  14.828   5.477   1.799
  114    HA   PHE  17           HA       PHE  17  16.734   7.679   1.791
  115   1HB   PHE  17          1HB       PHE  17  14.525   7.330   3.606
  116   2HB   PHE  17          2HB       PHE  17  15.944   6.818   4.499
  117    HD1  PHE  17           HD1      PHE  17  15.507   9.548   1.991
  118    HD2  PHE  17           HD2      PHE  17  16.448   8.505   5.996
  119    HE1  PHE  17           HE1      PHE  17  16.064  11.946   2.485
  120    HE2  PHE  17           HE2      PHE  17  17.005  10.903   6.489
  121    HZ   PHE  17           HZ       PHE  17  16.806  12.594   4.728
  122    H    GLU  18           HN       GLU  18  18.022   6.924   4.244
  123    HA   GLU  18           HA       GLU  18  18.740   4.158   3.717
  124   1HB   GLU  18          1HB       GLU  18  20.347   5.909   2.650
  125   2HB   GLU  18          2HB       GLU  18  20.851   6.267   4.291
  126   1HG   GLU  18          1HG       GLU  18  22.395   4.607   3.609
  127   2HG   GLU  18          2HG       GLU  18  21.228   3.698   4.549
  128    HE2  GLU  18           HE2      GLU  18  21.867   2.434   1.003
  129    H    ASP  19           HN       ASP  19  19.131   7.033   5.896
  130    HA   ASP  19           HA       ASP  19  19.494   5.217   8.107
  131   1HB   ASP  19          1HB       ASP  19  20.936   7.251   7.875
  132   2HB   ASP  19          2HB       ASP  19  19.513   8.270   7.969
  133    HD2  ASP  19           HD2      ASP  19  18.951   8.225  11.089
  134    H    LEU  20           HN       LEU  20  17.376   4.362   8.507
  135    HA   LEU  20           HA       LEU  20  15.389   6.376   9.284
  136   1HB   LEU  20          1HB       LEU  20  15.047   5.155   7.024
  137   2HB   LEU  20          2HB       LEU  20  14.630   3.767   8.008
  138    HG   LEU  20           HG       LEU  20  12.639   4.962   7.280
  139   1HD1  LEU  20          1HD1      LEU  20  11.576   5.338   9.507
  140   2HD1  LEU  20          2HD1      LEU  20  12.450   3.794   9.364
  141   3HD1  LEU  20          3HD1      LEU  20  13.182   5.152  10.253
  142   1HD2  LEU  20          1HD2      LEU  20  13.257   7.342   8.977
  143   2HD2  LEU  20          2HD2      LEU  20  13.989   7.235   7.358
  144   3HD2  LEU  20          3HD2      LEU  20  12.219   7.193   7.538
  145    HA   PRO  21           HA       PRO  21  16.581   3.789  12.885
  146   1HB   PRO  21          1HB       PRO  21  15.595   6.321  14.186
  147   2HB   PRO  21          2HB       PRO  21  17.099   5.379  14.450
  148   1HG   PRO  21          1HG       PRO  21  17.321   7.741  13.025
  149   2HG   PRO  21          2HG       PRO  21  18.209   6.215  12.702
  150   1HD   PRO  21          HD2       PRO  21  15.629   7.288  11.429
  151   2HD   PRO  21          HD3       PRO  21  17.102   6.684  10.614
  152    H    ASP  22           HN       ASP  22  15.044   3.701  15.093
  153    HA   ASP  22           HA       ASP  22  12.401   3.272  13.963
  154   1HB   ASP  22          1HB       ASP  22  12.104   1.838  16.072
  155   2HB   ASP  22          2HB       ASP  22  13.251   1.240  14.890
  156    HD2  ASP  22           HD2      ASP  22  12.892   2.494  17.993
  157    H    ASP  23           HN       ASP  23  12.714   5.908  14.438
  158    HA   ASP  23           HA       ASP  23  10.916   6.428  16.500
  159   1HB   ASP  23          1HB       ASP  23  12.667   8.066  17.669
  160   2HB   ASP  23          2HB       ASP  23  12.522   6.394  18.178
  161    HD2  ASP  23           HD2      ASP  23  15.541   8.146  17.604
  162    H    TRP  24           HN       TRP  24  10.485   7.134  14.021
  163    HA   TRP  24           HA       TRP  24  11.770   9.671  13.402
  164   1HB   TRP  24          1HB       TRP  24  11.354   7.727  11.753
  165   2HB   TRP  24          2HB       TRP  24   9.690   8.275  11.739
  166    HD1  TRP  24           HD1      TRP  24  13.000  10.366  11.523
  167    HE1  TRP  24           HE1      TRP  24  12.926  11.986   9.441
  168    HE3  TRP  24           HE3      TRP  24   8.464   8.823   9.819
  169    HZ2  TRP  24           HZ2      TRP  24  11.022  12.430   7.362
  170    HZ3  TRP  24           HZ3      TRP  24   7.570   9.901   7.758
  171    HH2  TRP  24           HH2      TRP  24   8.771  11.646   6.539
  172    H    ALA  25           HN       ALA  25  10.650  11.654  13.420
  173    HA   ALA  25           HA       ALA  25   7.890  11.513  14.419
  174   1HB   ALA  25          1HB       ALA  25   9.938  12.253  15.987
  175   2HB   ALA  25          2HB       ALA  25   9.661  13.809  15.167
  176   3HB   ALA  25          3HB       ALA  25   8.343  13.038  16.082
  177    H    CYS  26           HN       CYS  26   6.411  12.819  13.369
  178    HA   CYS  26           HA       CYS  26   6.977  13.683  10.829
  179   1HB   CYS  26          1HB       CYS  26   4.724  13.269  12.084
  180   2HB   CYS  26          2HB       CYS  26   4.817  14.977  12.464
  181    HA   PRO  27           HA       PRO  27   9.250  17.410  11.590
  182   1HB   PRO  27          1HB       PRO  27   9.205  18.402   9.044
  183   2HB   PRO  27          2HB       PRO  27  10.129  16.928   9.478
  184   1HG   PRO  27          1HG       PRO  27   7.264  16.972   8.187
  185   2HG   PRO  27          2HG       PRO  27   8.809  16.167   7.761
  186   1HD   PRO  27          HD2       PRO  27   6.833  14.995   9.327
  187   2HD   PRO  27          HD3       PRO  27   8.574  14.629   9.528
  188    H    VAL  28           HN       VAL  28   5.893  17.105  11.067
  189    HA   VAL  28           HA       VAL  28   5.571  20.024  11.098
  190    HB   VAL  28           HB       VAL  28   3.631  17.839  10.316
  191   1HG1  VAL  28          1HG1      VAL  28   2.386  19.672  11.221
  192   2HG1  VAL  28          2HG1      VAL  28   3.373  20.860  10.338
  193   3HG1  VAL  28          3HG1      VAL  28   2.273  19.781   9.448
  194   1HG2  VAL  28          1HG2      VAL  28   4.581  17.887   8.301
  195   2HG2  VAL  28          2HG2      VAL  28   4.164  19.611   8.165
  196   3HG2  VAL  28          3HG2      VAL  28   5.736  19.128   8.843
  197    H    CYS  29           HN       CYS  29   3.141  17.600  12.070
  198    HA   CYS  29           HA       CYS  29   2.400  18.885  14.342
  199   1HB   CYS  29          1HB       CYS  29   1.457  16.712  15.082
  200   2HB   CYS  29          2HB       CYS  29   1.027  17.175  13.447
  201    H    GLY  30           HN       GLY  30   4.829  16.217  13.930
  202   1HA   GLY  30          HA1       GLY  30   6.894  16.326  15.118
  203   2HA   GLY  30          HA2       GLY  30   6.068  17.083  16.465
  204    H    ALA  31           HN       ALA  31   3.765  14.961  15.619
  205    HA   ALA  31           HA       ALA  31   4.121  13.257  17.740
  206   1HB   ALA  31          1HB       ALA  31   2.386  11.892  16.643
  207   2HB   ALA  31          2HB       ALA  31   2.005  13.626  16.514
  208   3HB   ALA  31          3HB       ALA  31   2.667  12.753  15.111
  209    H    SER  32           HN       SER  32   4.415  10.788  17.590
  210    HA   SER  32           HA       SER  32   6.971  10.358  16.487
  211   1HB   SER  32          1HB       SER  32   6.958   8.354  17.691
  212   2HB   SER  32          2HB       SER  32   5.833   9.326  18.619
  213    HG   SER  32           HG       SER  32   4.236   8.236  16.888
  214    H    LYS  33           HN       LYS  33   7.191   7.960  15.321
  215    HA   LYS  33           HA       LYS  33   5.949   8.346  12.796
  216   1HB   LYS  33          1HB       LYS  33   7.532   6.932  12.030
  217   2HB   LYS  33          2HB       LYS  33   8.289   7.279  13.571
  218   1HG   LYS  33          1HG       LYS  33   7.191   5.256  14.562
  219   2HG   LYS  33          2HG       LYS  33   6.441   4.909  13.017
  220   1HD   LYS  33          HD2       LYS  33   8.640   4.597  11.956
  221   2HD   LYS  33          HD3       LYS  33   9.462   5.116  13.414
  222   1HE   LYS  33          2HE       LYS  33   7.563   2.906  13.919
  223   2HE   LYS  33          3HE       LYS  33   8.796   2.472  12.751
  224   1HZ   LYS  33          HZ1       LYS  33  10.078   2.140  14.564
  225   2HZ   LYS  33          HZ2       LYS  33  10.210   3.759  14.690
  226    H    ASP  34           HN       ASP  34   4.994   6.851  15.750
  227    HA   ASP  34           HA       ASP  34   3.518   4.741  14.648
  228   1HB   ASP  34          1HB       ASP  34   2.613   4.476  16.859
  229   2HB   ASP  34          2HB       ASP  34   4.270   5.005  17.071
  230    HD2  ASP  34           HD2      ASP  34   3.551   5.661  19.138
  231    H    ALA  35           HN       ALA  35   3.137   8.179  14.725
  232    HA   ALA  35           HA       ALA  35   0.284   8.249  14.860
  233   1HB   ALA  35          1HB       ALA  35   2.394  10.284  14.038
  234   2HB   ALA  35          2HB       ALA  35   0.659  10.644  14.215
  235   3HB   ALA  35          3HB       ALA  35   1.611  10.136  15.630
  236    H    PHE  36           HN       PHE  36   2.513   7.182  12.532
  237    HA   PHE  36           HA       PHE  36   0.840   8.031  10.302
  238   1HB   PHE  36          1HB       PHE  36   3.558   6.642  10.654
  239   2HB   PHE  36          2HB       PHE  36   2.824   6.831   9.074
  240    HD1  PHE  36           HD1      PHE  36   3.471   9.022  12.040
  241    HD2  PHE  36           HD2      PHE  36   3.673   8.559   7.826
  242    HE1  PHE  36           HE1      PHE  36   4.494  11.306  11.837
  243    HE2  PHE  36           HE2      PHE  36   4.696  10.843   7.624
  244    HZ   PHE  36           HZ       PHE  36   5.094  12.188   9.632
  245    H    GLU  37           HN       GLU  37  -0.246   6.567   8.934
  246    HA   GLU  37           HA       GLU  37  -0.335   3.851  10.000
  247   1HB   GLU  37          1HB       GLU  37  -2.439   5.320  10.215
  248   2HB   GLU  37          2HB       GLU  37  -2.571   5.240   8.469
  249   1HG   GLU  37          1HG       GLU  37  -3.273   3.051   8.488
  250   2HG   GLU  37          2HG       GLU  37  -2.152   2.593   9.753
  251    HE2  GLU  37           HE2      GLU  37  -5.848   3.153  10.107
  252    H    LYS  38           HN       LYS  38   0.596   2.367   8.666
  253    HA   LYS  38           HA       LYS  38   1.520   2.976   6.132
  254   1HB   LYS  38          1HB       LYS  38   2.248   1.121   7.712
  255   2HB   LYS  38          2HB       LYS  38   0.865   0.202   7.151
  256   1HG   LYS  38          1HG       LYS  38   2.735   1.419   5.106
  257   2HG   LYS  38          2HG       LYS  38   3.235  -0.034   5.949
  258   1HD   LYS  38          HD2       LYS  38   0.451  -0.218   4.993
  259   2HD   LYS  38          HD3       LYS  38   1.574   0.085   3.683
  260   1HE   LYS  38          2HE       LYS  38   2.732  -1.933   4.013
  261   2HE   LYS  38          3HE       LYS  38   2.320  -2.020   5.714
  262   1HZ   LYS  38          HZ1       LYS  38   0.001  -2.132   4.020
  263   2HZ   LYS  38          HZ2       LYS  38   1.029  -3.359   3.724
  264    H    GLN  39           HN       GLN  39   0.600   3.099   4.146
  265    HA   GLN  39           HA       GLN  39  -1.943   1.745   3.805
  266   1HB   GLN  39          1HB       GLN  39  -1.844   4.471   4.254
  267   2HB   GLN  39          2HB       GLN  39  -1.790   4.412   2.504
  268   1HG   GLN  39          1HG       GLN  39  -3.996   3.894   2.396
  269   2HG   GLN  39          2HG       GLN  39  -3.766   2.501   3.435
  270   1HE2  GLN  39          1HE2      GLN  39  -4.006   6.044   3.500
  271   2HE2  GLN  39          2HE2      GLN  39  -4.846   6.185   5.008
  Start of MODEL   16
    1   1H    MET   1           HN       MET   1   4.640   2.755  -3.592
    2    HA   MET   1           HA       MET   1   2.075   2.250  -3.415
    3   1HB   MET   1          1HB       MET   1   3.632  -0.344  -3.260
    4   2HB   MET   1          2HB       MET   1   2.257  -0.168  -2.188
    5   1HG   MET   1          1HG       MET   1   0.711   0.046  -3.995
    6   2HG   MET   1          2HG       MET   1   1.965   0.464  -5.146
    7   1HE   MET   1          1HE       MET   1  -0.040  -3.235  -4.901
    8   2HE   MET   1          2HE       MET   1  -0.435  -1.502  -4.819
    9   3HE   MET   1          3HE       MET   1   0.188  -2.202  -6.331
   10    H    ASP   2           HN       ASP   2   5.049   1.094  -1.679
   11    HA   ASP   2           HA       ASP   2   4.172   1.360   0.854
   12   1HB   ASP   2          1HB       ASP   2   6.886   1.925  -0.402
   13   2HB   ASP   2          2HB       ASP   2   6.656   2.037   1.332
   14    HD2  ASP   2           HD2      ASP   2   7.265  -0.320  -1.141
   15    H    ILE   3           HN       ILE   3   3.121   3.156   1.733
   16    HA   ILE   3           HA       ILE   3   4.414   5.750   1.358
   17    HB   ILE   3           HB       ILE   3   1.489   5.151   0.912
   18   1HG1  ILE   3          2HG1      ILE   3   3.360   6.544  -0.996
   19   2HG1  ILE   3          3HG1      ILE   3   3.293   4.794  -0.931
   20   1HG2  ILE   3          1HG2      ILE   3   0.932   7.302   1.218
   21   2HG2  ILE   3          2HG2      ILE   3   2.417   7.373   2.197
   22   3HG2  ILE   3          3HG2      ILE   3   2.444   7.906   0.499
   23   1HD1  ILE   3          1HD1      ILE   3   1.735   5.768  -2.642
   24   2HD1  ILE   3          2HD1      ILE   3   0.885   4.806  -1.409
   25   3HD1  ILE   3          3HD1      ILE   3   0.853   6.584  -1.329
   26    H    TYR   4           HN       TYR   4   4.406   7.022   3.132
   27    HA   TYR   4           HA       TYR   4   3.097   5.888   5.560
   28   1HB   TYR   4          1HB       TYR   4   5.812   7.141   5.127
   29   2HB   TYR   4          2HB       TYR   4   5.055   7.106   6.729
   30    HD1  TYR   4           HD1      TYR   4   4.341   4.814   7.664
   31    HD2  TYR   4           HD2      TYR   4   7.013   5.289   4.333
   32    HE1  TYR   4           HE1      TYR   4   5.185   2.509   8.013
   33    HE2  TYR   4           HE2      TYR   4   7.857   2.983   4.683
   34    HH   TYR   4           HH       TYR   4   7.809   1.126   6.026
   35    H    VAL   5           HN       VAL   5   1.177   7.236   5.246
   36    HA   VAL   5           HA       VAL   5   1.706  10.104   5.265
   37    HB   VAL   5           HB       VAL   5  -0.901   8.598   4.995
   38   1HG1  VAL   5          1HG1      VAL   5  -0.499  11.257   5.574
   39   2HG1  VAL   5          2HG1      VAL   5  -0.632  11.275   3.799
   40   3HG1  VAL   5          3HG1      VAL   5  -1.943  10.581   4.784
   41   1HG2  VAL   5          1HG2      VAL   5  -0.716   8.747   2.636
   42   2HG2  VAL   5          2HG2      VAL   5   0.696   9.826   2.734
   43   3HG2  VAL   5          3HG2      VAL   5   0.848   8.116   3.201
   44    H    CYS   6           HN       CYS   6   1.497  11.335   7.079
   45    HA   CYS   6           HA       CYS   6   1.167  10.046   9.548
   46   1HB   CYS   6          1HB       CYS   6   2.515  12.115   9.093
   47   2HB   CYS   6          2HB       CYS   6   1.013  13.012   8.985
   48    H    THR   7           HN       THR   7  -0.616  10.244  11.075
   49    HA   THR   7           HA       THR   7  -3.166  10.864   9.740
   50    HB   THR   7           HB       THR   7  -4.110   9.204  11.324
   51    HG1  THR   7           HG1      THR   7  -2.503   9.777  13.021
   52   1HG2  THR   7          1HG2      THR   7  -3.322   7.938   9.482
   53   2HG2  THR   7          2HG2      THR   7  -1.630   8.411   9.763
   54   3HG2  THR   7          3HG2      THR   7  -2.408   7.218  10.829
   55    H    VAL   8           HN       VAL   8  -1.130  12.687  11.188
   56    HA   VAL   8           HA       VAL   8  -3.028  13.671  13.205
   57    HB   VAL   8           HB       VAL   8  -0.021  13.899  13.019
   58   1HG1  VAL   8          1HG1      VAL   8  -1.659  14.965  15.312
   59   2HG1  VAL   8          2HG1      VAL   8   0.011  15.358  14.836
   60   3HG1  VAL   8          3HG1      VAL   8  -1.357  15.964  13.871
   61   1HG2  VAL   8          1HG2      VAL   8   0.125  12.251  14.548
   62   2HG2  VAL   8          2HG2      VAL   8  -1.279  12.844  15.468
   63   3HG2  VAL   8          3HG2      VAL   8  -1.524  11.837  14.021
   64    H    CYS   9           HN       CYS   9  -0.584  14.653  10.711
   65    HA   CYS   9           HA       CYS   9  -2.081  17.154  10.454
   66   1HB   CYS   9          1HB       CYS   9   0.039  17.872   9.190
   67   2HB   CYS   9          2HB       CYS   9   0.075  17.790  10.940
   68    H    GLY  10           HN       GLY  10  -1.075  14.124   8.960
   69   1HA   GLY  10          HA1       GLY  10  -2.085  13.165   7.122
   70   2HA   GLY  10          HA2       GLY  10  -2.728  14.721   6.634
   71    H    TYR  11           HN       TYR  11   0.607  14.533   7.612
   72    HA   TYR  11           HA       TYR  11   1.604  15.594   5.181
   73   1HB   TYR  11          1HB       TYR  11   2.709  15.775   7.386
   74   2HB   TYR  11          2HB       TYR  11   3.037  14.034   7.358
   75    HD1  TYR  11           HD1      TYR  11   5.200  13.448   6.822
   76    HD2  TYR  11           HD2      TYR  11   3.495  16.961   5.031
   77    HE1  TYR  11           HE1      TYR  11   7.327  13.865   5.615
   78    HE2  TYR  11           HE2      TYR  11   5.621  17.378   3.825
   79    HH   TYR  11           HH       TYR  11   8.359  16.491   4.439
   80    H    GLU  12           HN       GLU  12   3.341  14.456   3.768
   81    HA   GLU  12           HA       GLU  12   2.604  11.652   3.482
   82   1HB   GLU  12          1HB       GLU  12   2.352  13.854   1.522
   83   2HB   GLU  12          2HB       GLU  12   3.209  12.463   0.889
   84   1HG   GLU  12          1HG       GLU  12   1.357  11.068   1.031
   85   2HG   GLU  12          2HG       GLU  12   0.720  11.872   2.452
   86    HE2  GLU  12           HE2      GLU  12  -0.792  13.875   1.807
   87    H    TYR  13           HN       TYR  13   4.271  10.275   3.178
   88    HA   TYR  13           HA       TYR  13   6.988  11.482   2.954
   89   1HB   TYR  13          1HB       TYR  13   6.562  10.431   5.119
   90   2HB   TYR  13          2HB       TYR  13   6.048   8.937   4.317
   91    HD1  TYR  13           HD1      TYR  13   7.586   7.217   4.202
   92    HD2  TYR  13           HD2      TYR  13   9.001  11.271   4.330
   93    HE1  TYR  13           HE1      TYR  13   9.927   6.400   4.227
   94    HE2  TYR  13           HE2      TYR  13  11.342  10.453   4.354
   95    HH   TYR  13           HH       TYR  13  12.474   7.907   3.434
   96    H    ASP  14           HN       ASP  14   8.652   9.876   1.938
   97    HA   ASP  14           HA       ASP  14   7.313   8.187   0.001
   98   1HB   ASP  14          1HB       ASP  14   8.046  10.591  -0.852
   99   2HB   ASP  14          2HB       ASP  14   9.662   9.916  -0.828
  100    HD2  ASP  14           HD2      ASP  14   9.966   8.113  -2.680
  101    HA   PRO  15           HA       PRO  15  10.351   5.703   2.390
  102   1HB   PRO  15          1HB       PRO  15   9.389   3.952   0.082
  103   2HB   PRO  15          2HB       PRO  15   9.741   3.530   1.789
  104   1HG   PRO  15          1HG       PRO  15   7.481   4.036   0.817
  105   2HG   PRO  15          2HG       PRO  15   7.393   4.497   2.549
  106   1HD   PRO  15          HD2       PRO  15   7.168   6.211   0.219
  107   2HD   PRO  15          HD3       PRO  15   7.239   6.720   1.933
  108    H    ALA  16           HN       ALA  16  12.353   6.750   1.869
  109    HA   ALA  16           HA       ALA  16  13.947   5.533  -0.024
  110   1HB   ALA  16          1HB       ALA  16  12.577   8.066  -0.984
  111   2HB   ALA  16          2HB       ALA  16  14.127   7.503  -1.655
  112   3HB   ALA  16          3HB       ALA  16  12.672   6.487  -1.799
  113    H    PHE  17           HN       PHE  17  14.827   5.753   2.284
  114    HA   PHE  17           HA       PHE  17  16.445   8.185   2.350
  115   1HB   PHE  17          1HB       PHE  17  14.281   7.383   4.116
  116   2HB   PHE  17          2HB       PHE  17  15.770   7.190   5.019
  117    HD1  PHE  17           HD1      PHE  17  15.511   8.945   6.575
  118    HD2  PHE  17           HD2      PHE  17  15.157   9.762   2.426
  119    HE1  PHE  17           HE1      PHE  17  15.538  11.408   7.058
  120    HE2  PHE  17           HE2      PHE  17  15.183  12.225   2.909
  121    HZ   PHE  17           HZ       PHE  17  15.374  13.018   5.219
  122    H    GLU  18           HN       GLU  18  18.218   7.869   4.198
  123    HA   GLU  18           HA       GLU  18  19.736   5.702   3.388
  124   1HB   GLU  18          1HB       GLU  18  21.115   6.358   5.509
  125   2HB   GLU  18          2HB       GLU  18  20.964   7.526   4.212
  126   1HG   GLU  18          1HG       GLU  18  19.698   8.964   5.474
  127   2HG   GLU  18          2HG       GLU  18  18.755   7.670   6.188
  128    HE2  GLU  18           HE2      GLU  18  21.959   9.201   6.556
  129    H    ASP  19           HN       ASP  19  17.464   6.174   6.105
  130    HA   ASP  19           HA       ASP  19  17.211   3.403   6.417
  131   1HB   ASP  19          1HB       ASP  19  19.357   4.491   7.859
  132   2HB   ASP  19          2HB       ASP  19  18.064   4.475   9.041
  133    HD2  ASP  19           HD2      ASP  19  19.861   1.120   7.984
  134    H    LEU  20           HN       LEU  20  15.996   3.193   8.890
  135    HA   LEU  20           HA       LEU  20  14.353   5.549   9.306
  136   1HB   LEU  20          1HB       LEU  20  13.410   3.827   7.526
  137   2HB   LEU  20          2HB       LEU  20  12.913   2.960   8.965
  138    HG   LEU  20           HG       LEU  20  12.135   5.668   9.337
  139   1HD1  LEU  20          1HD1      LEU  20  11.062   6.383   7.449
  140   2HD1  LEU  20          2HD1      LEU  20  12.445   5.536   6.714
  141   3HD1  LEU  20          3HD1      LEU  20  10.857   4.737   6.801
  142   1HD2  LEU  20          1HD2      LEU  20   9.988   4.766   9.646
  143   2HD2  LEU  20          2HD2      LEU  20  10.312   3.390   8.564
  144   3HD2  LEU  20          3HD2      LEU  20  11.109   3.481  10.153
  145    HA   PRO  21           HA       PRO  21  16.018   3.710  13.154
  146   1HB   PRO  21          1HB       PRO  21  15.273   6.551  13.909
  147   2HB   PRO  21          2HB       PRO  21  16.733   5.582  14.299
  148   1HG   PRO  21          1HG       PRO  21  16.974   7.440  12.288
  149   2HG   PRO  21          2HG       PRO  21  17.733   5.826  12.093
  150   1HD   PRO  21          HD2       PRO  21  15.025   6.858  11.106
  151   2HD   PRO  21          HD3       PRO  21  16.257   5.914  10.215
  152    H    ASP  22           HN       ASP  22  14.893   3.905  15.490
  153    HA   ASP  22           HA       ASP  22  12.067   3.550  14.932
  154   1HB   ASP  22          1HB       ASP  22  12.207   2.540  17.367
  155   2HB   ASP  22          2HB       ASP  22  12.800   1.607  16.008
  156    HD2  ASP  22           HD2      ASP  22  15.475   0.902  16.970
  157    H    ASP  23           HN       ASP  23  12.446   6.177  14.937
  158    HA   ASP  23           HA       ASP  23  11.074   7.130  17.106
  159   1HB   ASP  23          1HB       ASP  23  13.536   6.675  18.043
  160   2HB   ASP  23          2HB       ASP  23  13.910   8.181  17.229
  161    HD2  ASP  23           HD2      ASP  23  11.699   9.585  17.764
  162    H    TRP  24           HN       TRP  24  10.480   7.593  14.593
  163    HA   TRP  24           HA       TRP  24  11.864  10.014  13.698
  164   1HB   TRP  24          1HB       TRP  24  11.549   7.927  12.224
  165   2HB   TRP  24          2HB       TRP  24   9.870   8.413  12.113
  166    HD1  TRP  24           HD1      TRP  24  13.132  10.562  11.771
  167    HE1  TRP  24           HE1      TRP  24  13.063  11.985   9.550
  168    HE3  TRP  24           HE3      TRP  24   8.660   8.772  10.142
  169    HZ2  TRP  24           HZ2      TRP  24  11.188  12.197   7.409
  170    HZ3  TRP  24           HZ3      TRP  24   7.781   9.638   7.978
  171    HH2  TRP  24           HH2      TRP  24   8.968  11.292   6.625
  172    H    ALA  25           HN       ALA  25  10.779  11.983  13.658
  173    HA   ALA  25           HA       ALA  25   7.964  11.892  14.507
  174   1HB   ALA  25          1HB       ALA  25   8.418  14.010  15.704
  175   2HB   ALA  25          2HB       ALA  25   9.449  12.688  16.305
  176   3HB   ALA  25          3HB       ALA  25  10.126  13.919  15.211
  177    H    CYS  26           HN       CYS  26   6.510  13.174  13.361
  178    HA   CYS  26           HA       CYS  26   7.094  13.764  10.751
  179   1HB   CYS  26          1HB       CYS  26   4.839  13.639  12.178
  180   2HB   CYS  26          2HB       CYS  26   5.004  15.382  12.125
  181    HA   PRO  27           HA       PRO  27   9.474  17.482  11.119
  182   1HB   PRO  27          1HB       PRO  27   9.499  18.213   8.505
  183   2HB   PRO  27          2HB       PRO  27  10.305  16.711   9.061
  184   1HG   PRO  27          1HG       PRO  27   7.345  16.816   7.837
  185   2HG   PRO  27          2HG       PRO  27   8.834  15.923   7.386
  186   1HD   PRO  27          HD2       PRO  27   6.938  14.930   9.141
  187   2HD   PRO  27          HD3       PRO  27   8.682  14.559   9.304
  188    H    VAL  28           HN       VAL  28   6.111  17.238  10.664
  189    HA   VAL  28           HA       VAL  28   5.895  20.161  10.447
  190    HB   VAL  28           HB       VAL  28   3.882  18.022   9.726
  191   1HG1  VAL  28          1HG1      VAL  28   3.267  20.521  10.520
  192   2HG1  VAL  28          2HG1      VAL  28   3.585  20.835   8.798
  193   3HG1  VAL  28          3HG1      VAL  28   2.351  19.643   9.272
  194   1HG2  VAL  28          1HG2      VAL  28   4.498  19.452   7.429
  195   2HG2  VAL  28          2HG2      VAL  28   6.077  19.245   8.224
  196   3HG2  VAL  28          3HG2      VAL  28   5.079  17.821   7.842
  197    H    CYS  29           HN       CYS  29   3.311  17.923  11.440
  198    HA   CYS  29           HA       CYS  29   2.483  19.326  13.574
  199   1HB   CYS  29          1HB       CYS  29   1.472  17.273  14.424
  200   2HB   CYS  29          2HB       CYS  29   1.245  17.459  12.696
  201    H    GLY  30           HN       GLY  30   5.086  16.817  13.437
  202   1HA   GLY  30          HA1       GLY  30   6.994  16.777  14.714
  203   2HA   GLY  30          HA2       GLY  30   6.327  17.989  15.790
  204    H    ALA  31           HN       ALA  31   4.589  15.018  14.771
  205    HA   ALA  31           HA       ALA  31   4.478  14.248  17.583
  206   1HB   ALA  31          1HB       ALA  31   2.945  13.114  15.215
  207   2HB   ALA  31          2HB       ALA  31   2.558  12.950  16.945
  208   3HB   ALA  31          3HB       ALA  31   2.404  14.533  16.144
  209    H    SER  32           HN       SER  32   4.673  11.859  18.081
  210    HA   SER  32           HA       SER  32   7.118  10.962  17.042
  211   1HB   SER  32          1HB       SER  32   6.488   8.856  18.429
  212   2HB   SER  32          2HB       SER  32   6.713  10.366  19.287
  213    HG   SER  32           HG       SER  32   4.086   9.802  18.349
  214    H    LYS  33           HN       LYS  33   7.511   8.879  15.909
  215    HA   LYS  33           HA       LYS  33   6.223   8.566  13.588
  216   1HB   LYS  33          1HB       LYS  33   8.321   7.451  14.200
  217   2HB   LYS  33          2HB       LYS  33   7.458   6.365  15.270
  218   1HG   LYS  33          1HG       LYS  33   6.456   6.523  12.445
  219   2HG   LYS  33          2HG       LYS  33   8.018   5.761  12.673
  220   1HD   LYS  33          HD2       LYS  33   6.523   4.616  14.722
  221   2HD   LYS  33          HD3       LYS  33   5.318   4.807  13.463
  222   1HE   LYS  33          2HE       LYS  33   6.553   3.462  11.907
  223   2HE   LYS  33          3HE       LYS  33   8.034   3.592  12.835
  224   1HZ   LYS  33          HZ1       LYS  33   6.167   1.580  13.048
  225   2HZ   LYS  33          HZ2       LYS  33   7.420   1.825  14.060
  226    H    ASP  34           HN       ASP  34   5.335   6.961  16.706
  227    HA   ASP  34           HA       ASP  34   3.384   5.342  15.839
  228   1HB   ASP  34          1HB       ASP  34   2.255   5.852  18.094
  229   2HB   ASP  34          2HB       ASP  34   3.926   5.327  18.162
  230    HD2  ASP  34           HD2      ASP  34   5.439   6.849  18.656
  231    H    ALA  35           HN       ALA  35   2.078   6.173  14.105
  232    HA   ALA  35           HA       ALA  35  -0.269   7.342  14.561
  233   1HB   ALA  35          1HB       ALA  35   0.531   9.791  13.622
  234   2HB   ALA  35          2HB       ALA  35   0.236   9.417  15.338
  235   3HB   ALA  35          3HB       ALA  35   1.892   9.366  14.688
  236    H    PHE  36           HN       PHE  36   2.623   7.072  12.542
  237    HA   PHE  36           HA       PHE  36   1.253   7.654  10.110
  238   1HB   PHE  36          1HB       PHE  36   3.923   6.457  11.006
  239   2HB   PHE  36          2HB       PHE  36   3.501   6.447   9.305
  240    HD1  PHE  36           HD1      PHE  36   3.822   8.775  12.197
  241    HD2  PHE  36           HD2      PHE  36   4.025   8.285   7.986
  242    HE1  PHE  36           HE1      PHE  36   4.697  11.117  11.967
  243    HE2  PHE  36           HE2      PHE  36   4.901  10.626   7.756
  244    HZ   PHE  36           HZ       PHE  36   5.226  12.014   9.749
  245    H    GLU  37           HN       GLU  37   0.385   6.239   8.586
  246    HA   GLU  37           HA       GLU  37   0.310   3.457   9.463
  247   1HB   GLU  37          1HB       GLU  37  -1.840   5.199   9.101
  248   2HB   GLU  37          2HB       GLU  37  -1.817   4.302   7.595
  249   1HG   GLU  37          1HG       GLU  37  -3.231   3.187   9.330
  250   2HG   GLU  37          2HG       GLU  37  -1.913   2.161   8.797
  251    HE2  GLU  37           HE2      GLU  37  -0.990   1.204  10.637
  252    H    LYS  38           HN       LYS  38   0.599   1.805   7.872
  253    HA   LYS  38           HA       LYS  38   2.042   2.742   5.546
  254   1HB   LYS  38          1HB       LYS  38   2.807   0.879   7.117
  255   2HB   LYS  38          2HB       LYS  38   1.556  -0.118   6.403
  256   1HG   LYS  38          1HG       LYS  38   2.930  -0.581   4.664
  257   2HG   LYS  38          2HG       LYS  38   2.921   1.112   4.214
  258   1HD   LYS  38          HD2       LYS  38   5.156   1.073   4.664
  259   2HD   LYS  38          HD3       LYS  38   4.686   1.129   6.351
  260   1HE   LYS  38          2HE       LYS  38   4.724  -1.574   5.021
  261   2HE   LYS  38          3HE       LYS  38   6.272  -0.826   5.364
  262   1HZ   LYS  38          HZ1       LYS  38   5.924  -0.991   7.614
  263   2HZ   LYS  38          HZ2       LYS  38   4.309  -0.805   7.530
  264    H    GLN  39           HN       GLN  39   0.472   3.658   4.185
  265    HA   GLN  39           HA       GLN  39  -1.447   1.695   3.194
  266   1HB   GLN  39          1HB       GLN  39  -2.219   3.894   4.534
  267   2HB   GLN  39          2HB       GLN  39  -2.021   4.641   2.962
  268   1HG   GLN  39          1HG       GLN  39  -3.604   3.099   1.935
  269   2HG   GLN  39          2HG       GLN  39  -3.648   2.095   3.371
  270   1HE2  GLN  39          1HE2      GLN  39  -4.955   2.580   5.031
  271   2HE2  GLN  39          2HE2      GLN  39  -6.049   3.922   5.089
  Start of MODEL   17
    1   1H    MET   1           HN       MET   1   3.072  -1.109  -3.692
    2    HA   MET   1           HA       MET   1   3.049   1.039  -3.334
    3   1HB   MET   1          1HB       MET   1   0.420   0.210  -2.137
    4   2HB   MET   1          2HB       MET   1   1.015   1.771  -1.606
    5   1HG   MET   1          1HG       MET   1   1.456   1.846  -4.374
    6   2HG   MET   1          2HG       MET   1  -0.058   0.973  -4.245
    7   1HE   MET   1          1HE       MET   1   0.597   3.478  -5.598
    8   2HE   MET   1          2HE       MET   1  -1.158   3.766  -5.517
    9   3HE   MET   1          3HE       MET   1  -0.025   5.004  -4.923
   10    H    ASP   2           HN       ASP   2   4.023   2.530  -1.865
   11    HA   ASP   2           HA       ASP   2   4.215   1.635   0.876
   12   1HB   ASP   2          1HB       ASP   2   6.305   1.273  -1.014
   13   2HB   ASP   2          2HB       ASP   2   6.784   2.676  -0.080
   14    HD2  ASP   2           HD2      ASP   2   7.103  -0.825   0.324
   15    H    ILE   3           HN       ILE   3   3.419   3.468   1.927
   16    HA   ILE   3           HA       ILE   3   4.755   5.968   1.504
   17    HB   ILE   3           HB       ILE   3   2.005   5.475   0.467
   18   1HG1  ILE   3          2HG1      ILE   3   3.177   7.561  -0.913
   19   2HG1  ILE   3          3HG1      ILE   3   4.561   6.578  -0.474
   20   1HG2  ILE   3          1HG2      ILE   3   1.435   7.852   0.675
   21   2HG2  ILE   3          2HG2      ILE   3   1.606   7.070   2.265
   22   3HG2  ILE   3          3HG2      ILE   3   2.904   8.119   1.645
   23   1HD1  ILE   3          1HD1      ILE   3   3.893   5.579  -2.488
   24   2HD1  ILE   3          2HD1      ILE   3   3.057   4.558  -1.295
   25   3HD1  ILE   3          3HD1      ILE   3   2.163   5.832  -2.156
   26    H    TYR   4           HN       TYR   4   4.633   7.258   3.277
   27    HA   TYR   4           HA       TYR   4   3.095   6.137   5.574
   28   1HB   TYR   4          1HB       TYR   4   5.812   7.434   5.348
   29   2HB   TYR   4          2HB       TYR   4   4.925   7.433   6.883
   30    HD1  TYR   4           HD1      TYR   4   3.910   4.998   7.499
   31    HD2  TYR   4           HD2      TYR   4   7.348   5.739   5.031
   32    HE1  TYR   4           HE1      TYR   4   4.751   2.715   7.982
   33    HE2  TYR   4           HE2      TYR   4   8.187   3.457   5.515
   34    HH   TYR   4           HH       TYR   4   6.358   1.151   7.541
   35    H    VAL   5           HN       VAL   5   1.170   7.422   5.187
   36    HA   VAL   5           HA       VAL   5   1.612  10.306   5.172
   37    HB   VAL   5           HB       VAL   5  -0.851   8.613   4.701
   38   1HG1  VAL   5          1HG1      VAL   5  -0.968  11.116   5.646
   39   2HG1  VAL   5          2HG1      VAL   5  -0.744  11.492   3.920
   40   3HG1  VAL   5          3HG1      VAL   5  -2.122  10.493   4.442
   41   1HG2  VAL   5          1HG2      VAL   5   0.070   8.305   2.680
   42   2HG2  VAL   5          2HG2      VAL   5  -0.279  10.024   2.384
   43   3HG2  VAL   5          3HG2      VAL   5   1.327   9.531   2.972
   44    H    CYS   6           HN       CYS   6   1.583  11.401   7.060
   45    HA   CYS   6           HA       CYS   6   1.049  10.181   9.479
   46   1HB   CYS   6          1HB       CYS   6   2.399  12.260   9.062
   47   2HB   CYS   6          2HB       CYS   6   0.894  13.144   8.903
   48    H    THR   7           HN       THR   7  -0.787  10.452  10.962
   49    HA   THR   7           HA       THR   7  -3.289  11.022   9.518
   50    HB   THR   7           HB       THR   7  -4.252   9.426  11.260
   51    HG1  THR   7           HG1      THR   7  -2.436   9.792  12.768
   52   1HG2  THR   7          1HG2      THR   7  -2.311   7.545  10.392
   53   2HG2  THR   7          2HG2      THR   7  -3.880   7.875   9.620
   54   3HG2  THR   7          3HG2      THR   7  -2.420   8.734   9.073
   55    H    VAL   8           HN       VAL   8  -1.291  12.834  11.068
   56    HA   VAL   8           HA       VAL   8  -3.278  13.841  12.984
   57    HB   VAL   8           HB       VAL   8  -0.264  13.979  12.932
   58   1HG1  VAL   8          1HG1      VAL   8  -1.384  16.176  13.569
   59   2HG1  VAL   8          2HG1      VAL   8  -2.036  15.321  14.988
   60   3HG1  VAL   8          3HG1      VAL   8  -0.276  15.475  14.773
   61   1HG2  VAL   8          1HG2      VAL   8  -1.435  11.921  13.836
   62   2HG2  VAL   8          2HG2      VAL   8  -0.341  12.748  14.971
   63   3HG2  VAL   8          3HG2      VAL   8  -2.102  12.962  15.116
   64    H    CYS   9           HN       CYS   9  -0.696  14.828  10.631
   65    HA   CYS   9           HA       CYS   9  -2.198  17.314  10.273
   66   1HB   CYS   9          1HB       CYS   9   0.021  18.004   9.114
   67   2HB   CYS   9          2HB       CYS   9  -0.109  18.022  10.861
   68    H    GLY  10           HN       GLY  10  -1.181  14.262   8.887
   69   1HA   GLY  10          HA1       GLY  10  -2.072  13.314   6.987
   70   2HA   GLY  10          HA2       GLY  10  -2.616  14.884   6.430
   71    H    TYR  11           HN       TYR  11   0.620  14.630   7.668
   72    HA   TYR  11           HA       TYR  11   1.880  15.661   5.391
   73   1HB   TYR  11          1HB       TYR  11   2.815  15.557   7.696
   74   2HB   TYR  11          2HB       TYR  11   3.047  13.812   7.498
   75    HD1  TYR  11           HD1      TYR  11   5.331  13.402   7.403
   76    HD2  TYR  11           HD2      TYR  11   3.695  16.686   5.167
   77    HE1  TYR  11           HE1      TYR  11   7.552  13.814   6.381
   78    HE2  TYR  11           HE2      TYR  11   5.917  17.096   4.145
   79    HH   TYR  11           HH       TYR  11   8.471  14.925   4.218
   80    H    GLU  12           HN       GLU  12   3.251  14.653   3.729
   81    HA   GLU  12           HA       GLU  12   2.507  11.859   3.331
   82   1HB   GLU  12          1HB       GLU  12   2.337  14.201   1.525
   83   2HB   GLU  12          2HB       GLU  12   3.118  12.814   0.793
   84   1HG   GLU  12          1HG       GLU  12   1.112  11.802   0.511
   85   2HG   GLU  12          2HG       GLU  12   0.831  11.836   2.241
   86    HE2  GLU  12           HE2      GLU  12  -0.403  13.397   3.023
   87    H    TYR  13           HN       TYR  13   4.144  10.471   3.202
   88    HA   TYR  13           HA       TYR  13   6.879  11.571   2.754
   89   1HB   TYR  13          1HB       TYR  13   6.424  10.750   5.059
   90   2HB   TYR  13          2HB       TYR  13   6.026   9.159   4.389
   91    HD1  TYR  13           HD1      TYR  13   7.687   7.545   4.275
   92    HD2  TYR  13           HD2      TYR  13   8.801  11.692   4.362
   93    HE1  TYR  13           HE1      TYR  13  10.079   6.900   4.379
   94    HE2  TYR  13           HE2      TYR  13  11.194  11.047   4.467
   95    HH   TYR  13           HH       TYR  13  12.338   7.890   3.858
   96    H    ASP  14           HN       ASP  14   8.453   9.808   1.858
   97    HA   ASP  14           HA       ASP  14   6.974   7.957   0.186
   98   1HB   ASP  14          1HB       ASP  14   7.748  10.218  -0.966
   99   2HB   ASP  14          2HB       ASP  14   9.343   9.494  -0.924
  100    HD2  ASP  14           HD2      ASP  14   9.294   7.182  -2.343
  101    HA   PRO  15           HA       PRO  15  10.069   5.698   2.738
  102   1HB   PRO  15          1HB       PRO  15   8.888   3.647   0.820
  103   2HB   PRO  15          2HB       PRO  15   9.284   3.516   2.564
  104   1HG   PRO  15          1HG       PRO  15   6.769   4.020   1.777
  105   2HG   PRO  15          2HG       PRO  15   7.365   4.714   3.319
  106   1HD   PRO  15          HD2       PRO  15   6.761   6.039   0.708
  107   2HD   PRO  15          HD3       PRO  15   6.955   6.774   2.329
  108    H    ALA  16           HN       ALA  16  12.206   6.068   2.116
  109    HA   ALA  16           HA       ALA  16  13.507   4.656   0.247
  110   1HB   ALA  16          1HB       ALA  16  12.429   5.351  -1.669
  111   2HB   ALA  16          2HB       ALA  16  12.023   6.947  -0.993
  112   3HB   ALA  16          3HB       ALA  16  13.675   6.618  -1.567
  113    H    PHE  17           HN       PHE  17  14.615   5.107   2.399
  114    HA   PHE  17           HA       PHE  17  16.472   7.296   1.966
  115   1HB   PHE  17          1HB       PHE  17  14.261   7.340   3.804
  116   2HB   PHE  17          2HB       PHE  17  15.669   7.009   4.793
  117    HD1  PHE  17           HD1      PHE  17  15.829   9.045   5.968
  118    HD2  PHE  17           HD2      PHE  17  15.621   9.092   1.729
  119    HE1  PHE  17           HE1      PHE  17  16.404  11.489   5.967
  120    HE2  PHE  17           HE2      PHE  17  16.196  11.536   1.728
  121    HZ   PHE  17           HZ       PHE  17  16.581  12.704   3.847
  122    H    GLU  18           HN       GLU  18  18.343   7.144   3.616
  123    HA   GLU  18           HA       GLU  18  19.321   4.537   3.501
  124   1HB   GLU  18          1HB       GLU  18  21.185   5.513   4.960
  125   2HB   GLU  18          2HB       GLU  18  20.904   6.322   3.431
  126   1HG   GLU  18          1HG       GLU  18  19.148   7.547   5.340
  127   2HG   GLU  18          2HG       GLU  18  20.713   7.407   6.117
  128    HE2  GLU  18           HE2      GLU  18  20.402  10.142   5.400
  129    H    ASP  19           HN       ASP  19  20.560   3.904   5.883
  130    HA   ASP  19           HA       ASP  19  18.792   2.494   7.238
  131   1HB   ASP  19          1HB       ASP  19  21.169   2.335   7.710
  132   2HB   ASP  19          2HB       ASP  19  21.231   3.990   8.284
  133    HD2  ASP  19           HD2      ASP  19  21.433   1.197  10.398
  134    H    LEU  20           HN       LEU  20  16.840   3.144   8.166
  135    HA   LEU  20           HA       LEU  20  16.448   5.831   9.008
  136   1HB   LEU  20          1HB       LEU  20  14.862   3.728   8.178
  137   2HB   LEU  20          2HB       LEU  20  14.482   3.856   9.884
  138    HG   LEU  20           HG       LEU  20  14.501   6.481   8.650
  139   1HD1  LEU  20          1HD1      LEU  20  13.038   4.299   7.223
  140   2HD1  LEU  20          2HD1      LEU  20  12.259   5.890   7.389
  141   3HD1  LEU  20          3HD1      LEU  20  13.841   5.754   6.584
  142   1HD2  LEU  20          1HD2      LEU  20  12.809   6.829  10.079
  143   2HD2  LEU  20          2HD2      LEU  20  11.952   5.349   9.588
  144   3HD2  LEU  20          3HD2      LEU  20  13.284   5.256  10.765
  145    HA   PRO  21           HA       PRO  21  17.703   5.436  13.189
  146   1HB   PRO  21          1HB       PRO  21  16.566   7.672  14.221
  147   2HB   PRO  21          2HB       PRO  21  17.829   7.772  12.951
  148   1HG   PRO  21          1HG       PRO  21  14.844   7.916  12.618
  149   2HG   PRO  21          2HG       PRO  21  16.096   8.991  11.915
  150   1HD   PRO  21          HD2       PRO  21  14.932   6.854  10.558
  151   2HD   PRO  21          HD3       PRO  21  16.601   7.420  10.240
  152    H    ASP  22           HN       ASP  22  16.574   5.610  15.534
  153    HA   ASP  22           HA       ASP  22  14.076   4.147  15.230
  154   1HB   ASP  22          1HB       ASP  22  14.638   3.435  17.665
  155   2HB   ASP  22          2HB       ASP  22  15.595   2.739  16.373
  156    HD2  ASP  22           HD2      ASP  22  17.394   4.785  19.198
  157    H    ASP  23           HN       ASP  23  13.483   6.713  14.982
  158    HA   ASP  23           HA       ASP  23  11.865   7.398  16.987
  159   1HB   ASP  23          1HB       ASP  23  14.681   8.190  17.567
  160   2HB   ASP  23          2HB       ASP  23  13.520   9.490  17.739
  161    HD2  ASP  23           HD2      ASP  23  11.496   7.252  19.045
  162    H    TRP  24           HN       TRP  24  11.072   7.830  14.677
  163    HA   TRP  24           HA       TRP  24  12.105  10.351  13.594
  164   1HB   TRP  24          1HB       TRP  24  11.941   8.138  12.246
  165   2HB   TRP  24          2HB       TRP  24  10.225   8.489  12.173
  166    HD1  TRP  24           HD1      TRP  24  13.402  10.699  11.510
  167    HE1  TRP  24           HE1      TRP  24  13.112  12.065   9.271
  168    HE3  TRP  24           HE3      TRP  24   8.786   8.886  10.383
  169    HZ2  TRP  24           HZ2      TRP  24  11.033  12.232   7.324
  170    HZ3  TRP  24           HZ3      TRP  24   7.696   9.702   8.296
  171    HH2  TRP  24           HH2      TRP  24   8.744  11.317   6.789
  172    H    ALA  25           HN       ALA  25  10.793  12.170  13.582
  173    HA   ALA  25           HA       ALA  25   8.016  11.765  14.451
  174   1HB   ALA  25          1HB       ALA  25   9.380  14.284  15.242
  175   2HB   ALA  25          2HB       ALA  25   8.243  13.262  16.154
  176   3HB   ALA  25          3HB       ALA  25   9.962  12.811  16.054
  177    H    CYS  26           HN       CYS  26   6.466  13.006  13.373
  178    HA   CYS  26           HA       CYS  26   7.018  13.787  10.809
  179   1HB   CYS  26          1HB       CYS  26   4.773  13.352  12.076
  180   2HB   CYS  26          2HB       CYS  26   4.802  15.080  12.368
  181    HA   PRO  27           HA       PRO  27   9.153  17.623  11.417
  182   1HB   PRO  27          1HB       PRO  27   9.105  18.490   8.825
  183   2HB   PRO  27          2HB       PRO  27  10.076  17.071   9.341
  184   1HG   PRO  27          1HG       PRO  27   7.230  16.996   8.061
  185   2HG   PRO  27          2HG       PRO  27   8.759  16.167   7.618
  186   1HD   PRO  27          HD2       PRO  27   6.848  15.021   9.247
  187   2HD   PRO  27          HD3       PRO  27   8.597  14.722   9.484
  188    H    VAL  28           HN       VAL  28   5.815  17.173  10.844
  189    HA   VAL  28           HA       VAL  28   5.390  20.077  10.737
  190    HB   VAL  28           HB       VAL  28   3.533  17.788  10.053
  191   1HG1  VAL  28          1HG1      VAL  28   2.654  20.121  10.951
  192   2HG1  VAL  28          2HG1      VAL  28   3.002  20.636   9.283
  193   3HG1  VAL  28          3HG1      VAL  28   1.865  19.300   9.583
  194   1HG2  VAL  28          1HG2      VAL  28   4.739  17.733   8.154
  195   2HG2  VAL  28          2HG2      VAL  28   3.898  19.250   7.754
  196   3HG2  VAL  28          3HG2      VAL  28   5.518  19.299   8.488
  197    H    CYS  29           HN       CYS  29   3.017  17.641  11.803
  198    HA   CYS  29           HA       CYS  29   2.208  19.004  13.996
  199   1HB   CYS  29          1HB       CYS  29   1.343  16.838  14.844
  200   2HB   CYS  29          2HB       CYS  29   0.914  17.197  13.183
  201    H    GLY  30           HN       GLY  30   4.715  16.381  13.782
  202   1HA   GLY  30          HA1       GLY  30   6.767  16.625  14.974
  203   2HA   GLY  30          HA2       GLY  30   5.911  17.456  16.258
  204    H    ALA  31           HN       ALA  31   3.670  15.218  15.537
  205    HA   ALA  31           HA       ALA  31   4.095  13.665  17.780
  206   1HB   ALA  31          1HB       ALA  31   2.560  12.090  16.095
  207   2HB   ALA  31          2HB       ALA  31   1.941  13.386  17.147
  208   3HB   ALA  31          3HB       ALA  31   2.308  13.725  15.438
  209    H    SER  32           HN       SER  32   4.454  11.228  17.816
  210    HA   SER  32           HA       SER  32   6.927  10.740  16.534
  211   1HB   SER  32          1HB       SER  32   6.930   8.651  17.795
  212   2HB   SER  32          2HB       SER  32   6.383   9.948  18.839
  213    HG   SER  32           HG       SER  32   4.426   9.053  19.000
  214    H    LYS  33           HN       LYS  33   7.224   8.398  15.475
  215    HA   LYS  33           HA       LYS  33   5.393   8.353  13.253
  216   1HB   LYS  33          1HB       LYS  33   6.994   6.595  12.414
  217   2HB   LYS  33          2HB       LYS  33   7.682   8.185  12.683
  218   1HG   LYS  33          1HG       LYS  33   8.965   7.488  14.483
  219   2HG   LYS  33          2HG       LYS  33   7.771   6.329  15.030
  220   1HD   LYS  33          HD2       LYS  33   8.537   5.269  12.564
  221   2HD   LYS  33          HD3       LYS  33  10.037   5.954  13.158
  222   1HE   LYS  33          2HE       LYS  33   9.443   4.748  15.418
  223   2HE   LYS  33          3HE       LYS  33   8.300   3.827  14.461
  224   1HZ   LYS  33          HZ1       LYS  33  10.807   3.905  13.138
  225   2HZ   LYS  33          HZ2       LYS  33  11.029   3.371  14.661
  226    H    ASP  34           HN       ASP  34   3.820   7.837  15.361
  227    HA   ASP  34           HA       ASP  34   3.614   4.929  15.365
  228   1HB   ASP  34          1HB       ASP  34   3.980   5.959  17.609
  229   2HB   ASP  34          2HB       ASP  34   2.572   6.977  17.379
  230    HD2  ASP  34           HD2      ASP  34   2.227   4.910  19.668
  231    H    ALA  35           HN       ALA  35   1.966   8.116  15.077
  232    HA   ALA  35           HA       ALA  35  -0.627   7.006  14.676
  233   1HB   ALA  35          1HB       ALA  35   0.013   9.328  15.575
  234   2HB   ALA  35          2HB       ALA  35   0.342   9.770  13.882
  235   3HB   ALA  35          3HB       ALA  35  -1.295   9.269  14.368
  236    H    PHE  36           HN       PHE  36   2.237   7.388  12.747
  237    HA   PHE  36           HA       PHE  36   1.045   7.783  10.244
  238   1HB   PHE  36          1HB       PHE  36   3.627   6.610  11.378
  239   2HB   PHE  36          2HB       PHE  36   3.342   6.501   9.653
  240    HD1  PHE  36           HD1      PHE  36   3.654   8.914  12.449
  241    HD2  PHE  36           HD2      PHE  36   3.757   8.340   8.245
  242    HE1  PHE  36           HE1      PHE  36   4.550  11.240  12.153
  243    HE2  PHE  36           HE2      PHE  36   4.653  10.665   7.949
  244    HZ   PHE  36           HZ       PHE  36   5.040  12.088   9.907
  245    H    GLU  37           HN       GLU  37   0.128   6.398   8.759
  246    HA   GLU  37           HA       GLU  37   0.408   3.563   9.277
  247   1HB   GLU  37          1HB       GLU  37  -1.696   4.235  10.392
  248   2HB   GLU  37          2HB       GLU  37  -2.270   4.980   8.913
  249   1HG   GLU  37          1HG       GLU  37  -2.227   2.779   7.759
  250   2HG   GLU  37          2HG       GLU  37  -1.577   2.017   9.197
  251    HE2  GLU  37           HE2      GLU  37  -4.068   1.374  10.727
  252    H    LYS  38           HN       LYS  38   0.379   2.279   7.383
  253    HA   LYS  38           HA       LYS  38   1.002   3.637   5.000
  254   1HB   LYS  38          1HB       LYS  38   1.990   1.504   5.476
  255   2HB   LYS  38          2HB       LYS  38   0.425   0.733   5.632
  256   1HG   LYS  38          1HG       LYS  38  -0.015   1.433   3.182
  257   2HG   LYS  38          2HG       LYS  38   1.680   1.866   3.095
  258   1HD   LYS  38          HD2       LYS  38   1.209  -0.828   4.249
  259   2HD   LYS  38          HD3       LYS  38   0.639  -0.668   2.599
  260   1HE   LYS  38          2HE       LYS  38   2.883   0.196   1.904
  261   2HE   LYS  38          3HE       LYS  38   3.454   0.049   3.554
  262   1HZ   LYS  38          HZ1       LYS  38   3.116  -2.336   3.439
  263   2HZ   LYS  38          HZ2       LYS  38   2.440  -2.244   1.960
  264    H    GLN  39           HN       GLN  39  -0.191   4.028   3.125
  265    HA   GLN  39           HA       GLN  39  -2.958   3.184   3.180
  266   1HB   GLN  39          1HB       GLN  39  -3.767   5.457   2.637
  267   2HB   GLN  39          2HB       GLN  39  -2.982   5.426   4.203
  268   1HG   GLN  39          1HG       GLN  39  -1.604   7.081   3.501
  269   2HG   GLN  39          2HG       GLN  39  -0.897   5.963   2.352
  270   1HE2  GLN  39          1HE2      GLN  39  -3.601   8.191   2.857
  271   2HE2  GLN  39          2HE2      GLN  39  -3.805   8.683   1.209
  Start of MODEL   18
    1   1H    MET   1           HN       MET   1   1.399   3.031  -2.609
    2    HA   MET   1           HA       MET   1   2.032   0.251  -3.178
    3   1HB   MET   1          1HB       MET   1   2.752   2.594  -4.752
    4   2HB   MET   1          2HB       MET   1   4.217   1.940  -4.046
    5   1HG   MET   1          1HG       MET   1   3.435  -0.375  -4.904
    6   2HG   MET   1          2HG       MET   1   2.209   0.478  -5.819
    7   1HE   MET   1          1HE       MET   1   5.102  -1.159  -5.771
    8   2HE   MET   1          2HE       MET   1   5.940  -0.757  -7.288
    9   3HE   MET   1          3HE       MET   1   6.421   0.036  -5.769
   10    H    ASP   2           HN       ASP   2   3.513   3.412  -2.134
   11    HA   ASP   2           HA       ASP   2   4.210   2.228   0.356
   12   1HB   ASP   2          1HB       ASP   2   6.514   3.357  -1.265
   13   2HB   ASP   2          2HB       ASP   2   6.588   2.373   0.182
   14    HD2  ASP   2           HD2      ASP   2   6.386   2.343  -3.152
   15    H    ILE   3           HN       ILE   3   3.006   4.015   1.249
   16    HA   ILE   3           HA       ILE   3   4.375   6.581   1.017
   17    HB   ILE   3           HB       ILE   3   1.442   6.097   0.521
   18   1HG1  ILE   3          2HG1      ILE   3   2.544   7.870  -1.358
   19   2HG1  ILE   3          3HG1      ILE   3   3.756   6.620  -1.157
   20   1HG2  ILE   3          1HG2      ILE   3   0.997   8.402   0.692
   21   2HG2  ILE   3          2HG2      ILE   3   1.925   7.991   2.155
   22   3HG2  ILE   3          3HG2      ILE   3   2.725   8.816   0.796
   23   1HD1  ILE   3          1HD1      ILE   3   2.285   5.822  -2.873
   24   2HD1  ILE   3          2HD1      ILE   3   1.847   4.904  -1.413
   25   3HD1  ILE   3          3HD1      ILE   3   0.836   6.270  -1.942
   26    H    TYR   4           HN       TYR   4   4.331   7.799   2.862
   27    HA   TYR   4           HA       TYR   4   3.170   6.436   5.247
   28   1HB   TYR   4          1HB       TYR   4   5.734   7.971   4.805
   29   2HB   TYR   4          2HB       TYR   4   5.037   7.793   6.424
   30    HD1  TYR   4           HD1      TYR   4   4.326   5.258   7.002
   31    HD2  TYR   4           HD2      TYR   4   7.327   6.428   4.160
   32    HE1  TYR   4           HE1      TYR   4   5.398   3.033   7.219
   33    HE2  TYR   4           HE2      TYR   4   8.399   4.201   4.376
   34    HH   TYR   4           HH       TYR   4   8.435   2.292   6.316
   35    H    VAL   5           HN       VAL   5   1.167   7.539   5.426
   36    HA   VAL   5           HA       VAL   5   1.398  10.465   5.507
   37    HB   VAL   5           HB       VAL   5  -1.043   8.729   5.096
   38   1HG1  VAL   5          1HG1      VAL   5  -1.926  10.704   5.886
   39   2HG1  VAL   5          2HG1      VAL   5  -0.581  11.687   5.259
   40   3HG1  VAL   5          3HG1      VAL   5  -1.827  11.070   4.147
   41   1HG2  VAL   5          1HG2      VAL   5  -0.844   9.796   2.722
   42   2HG2  VAL   5          2HG2      VAL   5   0.869  10.011   3.155
   43   3HG2  VAL   5          3HG2      VAL   5   0.155   8.381   3.133
   44    H    CYS   6           HN       CYS   6   1.550  11.282   7.526
   45    HA   CYS   6           HA       CYS   6   1.122   9.765   9.803
   46   1HB   CYS   6          1HB       CYS   6   2.430  11.985   9.411
   47   2HB   CYS   6          2HB       CYS   6   0.909  12.760   9.809
   48    H    THR   7           HN       THR   7  -0.609   9.994  11.454
   49    HA   THR   7           HA       THR   7  -3.175  10.716  10.203
   50    HB   THR   7           HB       THR   7  -4.085   9.021  11.859
   51    HG1  THR   7           HG1      THR   7  -2.183   9.310  13.309
   52   1HG2  THR   7          1HG2      THR   7  -3.070   8.400   9.465
   53   2HG2  THR   7          2HG2      THR   7  -1.777   7.661  10.441
   54   3HG2  THR   7          3HG2      THR   7  -3.459   7.108  10.626
   55    H    VAL   8           HN       VAL   8  -0.955  12.233  11.917
   56    HA   VAL   8           HA       VAL   8  -2.923  13.318  13.813
   57    HB   VAL   8           HB       VAL   8  -0.862  12.065  14.688
   58   1HG1  VAL   8          1HG1      VAL   8   1.202  12.778  14.212
   59   2HG1  VAL   8          2HG1      VAL   8   0.474  13.847  12.990
   60   3HG1  VAL   8          3HG1      VAL   8   0.791  14.458  14.631
   61   1HG2  VAL   8          1HG2      VAL   8  -0.488  13.872  16.467
   62   2HG2  VAL   8          2HG2      VAL   8  -1.646  14.859  15.543
   63   3HG2  VAL   8          3HG2      VAL   8  -2.157  13.297  16.230
   64    H    CYS   9           HN       CYS   9  -1.790  13.812  10.823
   65    HA   CYS   9           HA       CYS   9  -2.250  16.605  10.970
   66   1HB   CYS   9          1HB       CYS   9  -0.037  17.236   9.932
   67   2HB   CYS   9          2HB       CYS   9  -0.038  16.898  11.652
   68    H    GLY  10           HN       GLY  10  -0.917  13.750   9.206
   69   1HA   GLY  10          HA1       GLY  10  -2.017  12.884   7.307
   70   2HA   GLY  10          HA2       GLY  10  -2.589  14.490   6.900
   71    H    TYR  11           HN       TYR  11   0.594  14.592   8.049
   72    HA   TYR  11           HA       TYR  11   1.825  15.727   5.909
   73   1HB   TYR  11          1HB       TYR  11   2.857  15.347   8.116
   74   2HB   TYR  11          2HB       TYR  11   3.022  13.622   7.743
   75    HD1  TYR  11           HD1      TYR  11   5.317  13.214   7.628
   76    HD2  TYR  11           HD2      TYR  11   3.679  16.623   5.593
   77    HE1  TYR  11           HE1      TYR  11   7.522  13.649   6.582
   78    HE2  TYR  11           HE2      TYR  11   5.884  17.058   4.547
   79    HH   TYR  11           HH       TYR  11   8.487  16.411   5.262
   80    H    GLU  12           HN       GLU  12   3.268  14.932   4.147
   81    HA   GLU  12           HA       GLU  12   2.576  12.207   3.383
   82   1HB   GLU  12          1HB       GLU  12   2.104  14.740   1.902
   83   2HB   GLU  12          2HB       GLU  12   2.859  13.480   0.946
   84   1HG   GLU  12          1HG       GLU  12   0.827  12.150   2.410
   85   2HG   GLU  12          2HG       GLU  12   0.098  13.664   1.912
   86    HE2  GLU  12           HE2      GLU  12  -0.999  12.997  -0.228
   87    H    TYR  13           HN       TYR  13   4.343  11.022   3.194
   88    HA   TYR  13           HA       TYR  13   6.889  12.373   2.425
   89   1HB   TYR  13          1HB       TYR  13   6.978  11.688   4.736
   90   2HB   TYR  13          2HB       TYR  13   6.351  10.081   4.337
   91    HD1  TYR  13           HD1      TYR  13   7.858   8.335   4.148
   92    HD2  TYR  13           HD2      TYR  13   9.210  12.347   3.426
   93    HE1  TYR  13           HE1      TYR  13  10.177   7.502   3.858
   94    HE2  TYR  13           HE2      TYR  13  11.528  11.514   3.136
   95    HH   TYR  13           HH       TYR  13  12.576   9.030   2.406
   96    H    ASP  14           HN       ASP  14   8.464  10.926   1.229
   97    HA   ASP  14           HA       ASP  14   6.961   8.903  -0.237
   98   1HB   ASP  14          1HB       ASP  14   7.640  11.104  -1.465
   99   2HB   ASP  14          2HB       ASP  14   9.286  10.512  -1.367
  100    HD2  ASP  14           HD2      ASP  14   9.707   8.562  -2.907
  101    HA   PRO  15           HA       PRO  15  10.027   6.485   2.140
  102   1HB   PRO  15          1HB       PRO  15   8.974   4.572   0.021
  103   2HB   PRO  15          2HB       PRO  15   9.281   4.319   1.770
  104   1HG   PRO  15          1HG       PRO  15   6.958   4.810   0.793
  105   2HG   PRO  15          2HG       PRO  15   7.128   5.377   2.487
  106   1HD   PRO  15          HD2       PRO  15   6.785   6.946   0.029
  107   2HD   PRO  15          HD3       PRO  15   6.917   7.544   1.711
  108    H    ALA  16           HN       ALA  16  12.149   7.065   1.605
  109    HA   ALA  16           HA       ALA  16  13.437   5.797  -0.496
  110   1HB   ALA  16          1HB       ALA  16  13.875   7.806  -1.961
  111   2HB   ALA  16          2HB       ALA  16  12.201   7.204  -2.023
  112   3HB   ALA  16          3HB       ALA  16  12.589   8.661  -1.076
  113    H    PHE  17           HN       PHE  17  13.954   6.001   2.183
  114    HA   PHE  17           HA       PHE  17  16.153   7.946   2.273
  115   1HB   PHE  17          1HB       PHE  17  13.895   7.641   3.919
  116   2HB   PHE  17          2HB       PHE  17  15.088   6.689   4.781
  117    HD1  PHE  17           HD1      PHE  17  15.518   9.852   2.857
  118    HD2  PHE  17           HD2      PHE  17  15.654   7.947   6.646
  119    HE1  PHE  17           HE1      PHE  17  16.452  11.947   3.877
  120    HE2  PHE  17           HE2      PHE  17  16.588  10.041   7.666
  121    HZ   PHE  17           HZ       PHE  17  16.976  12.017   6.269
  122    H    GLU  18           HN       GLU  18  17.300   6.846   4.696
  123    HA   GLU  18           HA       GLU  18  17.904   4.117   3.988
  124   1HB   GLU  18          1HB       GLU  18  19.548   5.594   2.749
  125   2HB   GLU  18          2HB       GLU  18  20.114   6.196   4.295
  126   1HG   GLU  18          1HG       GLU  18  20.747   3.888   4.983
  127   2HG   GLU  18          2HG       GLU  18  20.134   3.253   3.468
  128    HE2  GLU  18           HE2      GLU  18  22.641   6.015   3.949
  129    H    ASP  19           HN       ASP  19  19.073   6.840   6.112
  130    HA   ASP  19           HA       ASP  19  19.873   5.422   8.219
  131   1HB   ASP  19          1HB       ASP  19  19.298   8.094   7.695
  132   2HB   ASP  19          2HB       ASP  19  18.169   7.735   8.985
  133    HD2  ASP  19           HD2      ASP  19  22.003   8.239   9.756
  134    H    LEU  20           HN       LEU  20  16.580   6.993   8.073
  135    HA   LEU  20           HA       LEU  20  14.738   6.526   9.264
  136   1HB   LEU  20          1HB       LEU  20  14.065   5.388   7.417
  137   2HB   LEU  20          2HB       LEU  20  15.371   4.223   7.501
  138    HG   LEU  20           HG       LEU  20  14.263   2.952   9.196
  139   1HD1  LEU  20          1HD1      LEU  20  12.734   3.710  10.639
  140   2HD1  LEU  20          2HD1      LEU  20  13.187   5.327  10.052
  141   3HD1  LEU  20          3HD1      LEU  20  11.773   4.495   9.363
  142   1HD2  LEU  20          1HD2      LEU  20  11.994   2.533   8.056
  143   2HD2  LEU  20          2HD2      LEU  20  12.514   3.768   6.884
  144   3HD2  LEU  20          3HD2      LEU  20  13.478   2.287   7.104
  145    HA   PRO  21           HA       PRO  21  16.706   4.658  12.912
  146   1HB   PRO  21          1HB       PRO  21  16.011   6.646  14.647
  147   2HB   PRO  21          2HB       PRO  21  17.371   6.826  13.491
  148   1HG   PRO  21          1HG       PRO  21  14.646   7.781  13.304
  149   2HG   PRO  21          2HG       PRO  21  16.116   8.721  12.887
  150   1HD   PRO  21          HD2       PRO  21  14.511   7.499  10.995
  151   2HD   PRO  21          HD3       PRO  21  16.280   7.662  10.783
  152    H    ASP  22           HN       ASP  22  15.603   4.014  15.068
  153    HA   ASP  22           HA       ASP  22  12.923   3.245  14.394
  154   1HB   ASP  22          1HB       ASP  22  13.191   2.114  16.770
  155   2HB   ASP  22          2HB       ASP  22  14.041   1.450  15.388
  156    HD2  ASP  22           HD2      ASP  22  16.322   1.980  15.281
  157    H    ASP  23           HN       ASP  23  12.823   5.947  14.639
  158    HA   ASP  23           HA       ASP  23  11.033   6.407  16.634
  159   1HB   ASP  23          1HB       ASP  23  12.795   6.245  18.291
  160   2HB   ASP  23          2HB       ASP  23  13.878   7.237  17.335
  161    HD2  ASP  23           HD2      ASP  23  12.730   9.456  19.871
  162    H    TRP  24           HN       TRP  24  10.887   7.066  14.053
  163    HA   TRP  24           HA       TRP  24  12.036   9.678  13.564
  164   1HB   TRP  24          1HB       TRP  24  11.837   7.744  11.884
  165   2HB   TRP  24          2HB       TRP  24  10.141   8.175  11.773
  166    HD1  TRP  24           HD1      TRP  24  13.375  10.397  11.675
  167    HE1  TRP  24           HE1      TRP  24  13.283  12.054   9.623
  168    HE3  TRP  24           HE3      TRP  24   8.895   8.779   9.896
  169    HZ2  TRP  24           HZ2      TRP  24  11.390  12.492   7.533
  170    HZ3  TRP  24           HZ3      TRP  24   7.995   9.874   7.845
  171    HH2  TRP  24           HH2      TRP  24   9.167  11.671   6.672
  172    H    ALA  25           HN       ALA  25  10.834  11.614  13.491
  173    HA   ALA  25           HA       ALA  25   8.024  11.358  14.318
  174   1HB   ALA  25          1HB       ALA  25   9.961  12.214  15.985
  175   2HB   ALA  25          2HB       ALA  25   9.618  13.747  15.148
  176   3HB   ALA  25          3HB       ALA  25   8.313  12.890  16.004
  177    H    CYS  26           HN       CYS  26   6.553  12.699  13.255
  178    HA   CYS  26           HA       CYS  26   7.045  13.434  10.707
  179   1HB   CYS  26          1HB       CYS  26   4.897  13.552  12.424
  180   2HB   CYS  26          2HB       CYS  26   5.168  15.243  12.053
  181    HA   PRO  27           HA       PRO  27   9.553  17.072  11.074
  182   1HB   PRO  27          1HB       PRO  27   9.635  17.830   8.500
  183   2HB   PRO  27          2HB       PRO  27  10.258  16.217   8.978
  184   1HG   PRO  27          1HG       PRO  27   7.371  16.721   7.800
  185   2HG   PRO  27          2HG       PRO  27   8.726  15.627   7.365
  186   1HD   PRO  27          HD2       PRO  27   6.616  14.992   9.122
  187   2HD   PRO  27          HD3       PRO  27   8.225  14.205   9.149
  188    H    VAL  28           HN       VAL  28   6.292  17.063  11.177
  189    HA   VAL  28           HA       VAL  28   6.192  19.978  10.881
  190    HB   VAL  28           HB       VAL  28   3.852  18.233  10.179
  191   1HG1  VAL  28          1HG1      VAL  28   4.708  21.064   9.513
  192   2HG1  VAL  28          2HG1      VAL  28   3.342  20.240   8.722
  193   3HG1  VAL  28          3HG1      VAL  28   3.308  20.537  10.476
  194   1HG2  VAL  28          1HG2      VAL  28   4.536  18.459   7.772
  195   2HG2  VAL  28          2HG2      VAL  28   6.130  19.017   8.335
  196   3HG2  VAL  28          3HG2      VAL  28   5.570  17.375   8.735
  197    H    CYS  29           HN       CYS  29   3.920  17.331  11.895
  198    HA   CYS  29           HA       CYS  29   2.992  18.803  14.078
  199   1HB   CYS  29          1HB       CYS  29   1.876  16.750  14.755
  200   2HB   CYS  29          2HB       CYS  29   1.660  17.076  13.047
  201    H    GLY  30           HN       GLY  30   5.534  16.288  13.629
  202   1HA   GLY  30          HA1       GLY  30   7.418  15.975  14.875
  203   2HA   GLY  30          HA2       GLY  30   6.864  17.162  16.040
  204    H    ALA  31           HN       ALA  31   4.897  14.383  14.900
  205    HA   ALA  31           HA       ALA  31   4.799  13.455  17.662
  206   1HB   ALA  31          1HB       ALA  31   2.638  13.754  16.770
  207   2HB   ALA  31          2HB       ALA  31   3.095  13.075  15.190
  208   3HB   ALA  31          3HB       ALA  31   2.923  12.005  16.601
  209    H    SER  32           HN       SER  32   5.100  11.169  18.165
  210    HA   SER  32           HA       SER  32   7.372  10.148  16.972
  211   1HB   SER  32          1HB       SER  32   6.761   8.041  18.286
  212   2HB   SER  32          2HB       SER  32   6.885   9.516  19.226
  213    HG   SER  32           HG       SER  32   4.706   9.584  19.525
  214    H    LYS  33           HN       LYS  33   7.700   8.331  15.544
  215    HA   LYS  33           HA       LYS  33   6.195   8.164  13.337
  216   1HB   LYS  33          1HB       LYS  33   8.319   7.135  13.363
  217   2HB   LYS  33          2HB       LYS  33   7.907   6.094  14.711
  218   1HG   LYS  33          1HG       LYS  33   6.540   4.682  13.382
  219   2HG   LYS  33          2HG       LYS  33   6.305   5.902  12.146
  220   1HD   LYS  33          HD2       LYS  33   9.058   4.732  12.715
  221   2HD   LYS  33          HD3       LYS  33   7.940   3.942  11.621
  222   1HE   LYS  33          2HE       LYS  33   8.611   6.888  11.282
  223   2HE   LYS  33          3HE       LYS  33   9.670   5.652  10.633
  224   1HZ   LYS  33          HZ1       LYS  33   7.738   6.543   9.173
  225   2HZ   LYS  33          HZ2       LYS  33   8.029   4.941   9.156
  226    H    ASP  34           HN       ASP  34   5.719   6.249  16.364
  227    HA   ASP  34           HA       ASP  34   3.792   4.574  15.526
  228   1HB   ASP  34          1HB       ASP  34   2.899   4.736  17.911
  229   2HB   ASP  34          2HB       ASP  34   4.616   4.411  17.777
  230    HD2  ASP  34           HD2      ASP  34   5.424   6.956  19.774
  231    H    ALA  35           HN       ALA  35   2.280   5.496  14.014
  232    HA   ALA  35           HA       ALA  35  -0.077   6.443  14.815
  233   1HB   ALA  35          1HB       ALA  35   0.444   9.022  14.097
  234   2HB   ALA  35          2HB       ALA  35   0.416   8.449  15.782
  235   3HB   ALA  35          3HB       ALA  35   1.966   8.603  14.919
  236    H    PHE  36           HN       PHE  36   2.609   6.589  12.516
  237    HA   PHE  36           HA       PHE  36   1.064   7.395  10.294
  238   1HB   PHE  36          1HB       PHE  36   3.733   6.019  10.853
  239   2HB   PHE  36          2HB       PHE  36   3.175   6.133   9.195
  240    HD1  PHE  36           HD1      PHE  36   3.730   8.298  12.184
  241    HD2  PHE  36           HD2      PHE  36   3.763   7.992   7.952
  242    HE1  PHE  36           HE1      PHE  36   4.680  10.616  12.024
  243    HE2  PHE  36           HE2      PHE  36   4.713  10.309   7.792
  244    HZ   PHE  36           HZ       PHE  36   5.160  11.594   9.829
  245    H    GLU  37           HN       GLU  37   0.056   6.187   8.662
  246    HA   GLU  37           HA       GLU  37   0.020   3.312   9.127
  247   1HB   GLU  37          1HB       GLU  37  -2.086   4.542   9.942
  248   2HB   GLU  37          2HB       GLU  37  -2.419   4.915   8.262
  249   1HG   GLU  37          1HG       GLU  37  -3.206   2.818   7.864
  250   2HG   GLU  37          2HG       GLU  37  -1.776   2.077   8.555
  251    HE2  GLU  37           HE2      GLU  37  -4.682   1.245  10.640
  252    H    LYS  38           HN       LYS  38   0.629   2.172   7.336
  253    HA   LYS  38           HA       LYS  38   1.301   3.493   4.965
  254   1HB   LYS  38          1HB       LYS  38   2.399   1.449   5.742
  255   2HB   LYS  38          2HB       LYS  38   0.914   0.540   5.540
  256   1HG   LYS  38          1HG       LYS  38   1.104   0.462   3.240
  257   2HG   LYS  38          2HG       LYS  38   1.780   2.075   3.130
  258   1HD   LYS  38          HD2       LYS  38   3.494  -0.004   4.456
  259   2HD   LYS  38          HD3       LYS  38   3.253  -0.178   2.729
  260   1HE   LYS  38          2HE       LYS  38   3.913   2.317   2.522
  261   2HE   LYS  38          3HE       LYS  38   4.422   2.225   4.196
  262   1HZ   LYS  38          HZ1       LYS  38   5.971   0.462   3.593
  263   2HZ   LYS  38          HZ2       LYS  38   5.457   0.451   2.048
  264    H    GLN  39           HN       GLN  39  -0.037   4.365   3.485
  265    HA   GLN  39           HA       GLN  39  -2.631   3.068   3.189
  266   1HB   GLN  39          1HB       GLN  39  -2.479   5.526   3.975
  267   2HB   GLN  39          2HB       GLN  39  -1.946   5.911   2.351
  268   1HG   GLN  39          1HG       GLN  39  -4.084   4.605   1.564
  269   2HG   GLN  39          2HG       GLN  39  -4.623   4.766   3.223
  270   1HE2  GLN  39          1HE2      GLN  39  -5.600   6.554   3.837
  271   2HE2  GLN  39          2HE2      GLN  39  -5.680   8.046   2.961
  Start of MODEL   19
    1   1H    MET   1           HN       MET   1   3.421   3.315  -3.342
    2    HA   MET   1           HA       MET   1   2.084   1.616  -2.378
    3   1HB   MET   1          1HB       MET   1   4.511   0.042  -3.169
    4   2HB   MET   1          2HB       MET   1   3.818  -0.422  -1.627
    5   1HG   MET   1          1HG       MET   1   1.518  -0.325  -3.036
    6   2HG   MET   1          2HG       MET   1   2.605  -0.594  -4.384
    7   1HE   MET   1          1HE       MET   1   0.788  -2.274  -4.422
    8   2HE   MET   1          2HE       MET   1   1.572  -3.869  -4.498
    9   3HE   MET   1          3HE       MET   1   0.467  -3.484  -3.157
   10    H    ASP   2           HN       ASP   2   5.636   1.756  -1.586
   11    HA   ASP   2           HA       ASP   2   5.179   1.808   1.162
   12   1HB   ASP   2          1HB       ASP   2   7.589   2.990  -0.282
   13   2HB   ASP   2          2HB       ASP   2   7.549   2.334   1.342
   14    HD2  ASP   2           HD2      ASP   2   6.194  -0.221   0.480
   15    H    ILE   3           HN       ILE   3   3.729   3.512   1.771
   16    HA   ILE   3           HA       ILE   3   4.835   6.197   1.448
   17    HB   ILE   3           HB       ILE   3   2.039   5.315   0.753
   18   1HG1  ILE   3          2HG1      ILE   3   3.626   7.129  -0.979
   19   2HG1  ILE   3          3HG1      ILE   3   4.223   5.487  -0.846
   20   1HG2  ILE   3          1HG2      ILE   3   2.802   7.726   2.066
   21   2HG2  ILE   3          2HG2      ILE   3   2.367   8.122   0.387
   22   3HG2  ILE   3          3HG2      ILE   3   1.210   7.257   1.426
   23   1HD1  ILE   3          1HD1      ILE   3   1.726   6.500  -2.110
   24   2HD1  ILE   3          2HD1      ILE   3   2.704   5.067  -2.509
   25   3HD1  ILE   3          3HD1      ILE   3   1.538   5.002  -1.166
   26    H    TYR   4           HN       TYR   4   4.787   7.364   3.252
   27    HA   TYR   4           HA       TYR   4   3.314   6.212   5.576
   28   1HB   TYR   4          1HB       TYR   4   6.070   7.292   5.219
   29   2HB   TYR   4          2HB       TYR   4   5.238   7.707   6.726
   30    HD1  TYR   4           HD1      TYR   4   6.418   6.442   8.324
   31    HD2  TYR   4           HD2      TYR   4   4.950   4.543   4.761
   32    HE1  TYR   4           HE1      TYR   4   7.009   4.223   9.262
   33    HE2  TYR   4           HE2      TYR   4   5.541   2.325   5.700
   34    HH   TYR   4           HH       TYR   4   5.881   1.443   8.419
   35    H    VAL   5           HN       VAL   5   1.391   7.527   4.994
   36    HA   VAL   5           HA       VAL   5   1.833  10.400   5.116
   37    HB   VAL   5           HB       VAL   5  -0.676   8.791   4.604
   38   1HG1  VAL   5          1HG1      VAL   5  -1.816  10.718   4.392
   39   2HG1  VAL   5          2HG1      VAL   5  -0.481  11.440   5.321
   40   3HG1  VAL   5          3HG1      VAL   5  -0.478  11.529   3.542
   41   1HG2  VAL   5          1HG2      VAL   5   1.579   9.043   2.959
   42   2HG2  VAL   5          2HG2      VAL   5  -0.047   8.500   2.481
   43   3HG2  VAL   5          3HG2      VAL   5   0.405  10.214   2.313
   44    H    CYS   6           HN       CYS   6   1.715  11.477   7.012
   45    HA   CYS   6           HA       CYS   6   1.114  10.193   9.392
   46   1HB   CYS   6          1HB       CYS   6   2.486  12.285   9.037
   47   2HB   CYS   6          2HB       CYS   6   0.980  13.171   8.905
   48    H    THR   7           HN       THR   7  -0.766  10.425  10.813
   49    HA   THR   7           HA       THR   7  -3.217  11.062   9.306
   50    HB   THR   7           HB       THR   7  -4.242   9.433  10.995
   51    HG1  THR   7           HG1      THR   7  -2.456   9.697  12.544
   52   1HG2  THR   7          1HG2      THR   7  -3.836   7.764   9.489
   53   2HG2  THR   7          2HG2      THR   7  -2.633   8.821   8.712
   54   3HG2  THR   7          3HG2      THR   7  -2.131   7.688   9.990
   55    H    VAL   8           HN       VAL   8  -1.223  12.761  11.040
   56    HA   VAL   8           HA       VAL   8  -3.273  13.746  12.898
   57    HB   VAL   8           HB       VAL   8  -0.257  13.894  12.934
   58   1HG1  VAL   8          1HG1      VAL   8  -2.316  15.434  14.499
   59   2HG1  VAL   8          2HG1      VAL   8  -0.759  15.005  15.247
   60   3HG1  VAL   8          3HG1      VAL   8  -0.793  15.995  13.767
   61   1HG2  VAL   8          1HG2      VAL   8  -0.590  11.909  13.959
   62   2HG2  VAL   8          2HG2      VAL   8  -1.044  12.915  15.356
   63   3HG2  VAL   8          3HG2      VAL   8  -2.305  12.249  14.292
   64    H    CYS   9           HN       CYS   9  -0.633  14.774  10.628
   65    HA   CYS   9           HA       CYS   9  -2.094  17.290  10.323
   66   1HB   CYS   9          1HB       CYS   9   0.175  17.947   9.199
   67   2HB   CYS   9          2HB       CYS   9  -0.025  17.989  10.940
   68    H    GLY  10           HN       GLY  10  -1.089  14.270   8.860
   69   1HA   GLY  10          HA1       GLY  10  -2.026  13.413   6.920
   70   2HA   GLY  10          HA2       GLY  10  -2.426  15.030   6.374
   71    H    TYR  11           HN       TYR  11   0.686  14.940   7.700
   72    HA   TYR  11           HA       TYR  11   2.115  15.789   5.538
   73   1HB   TYR  11          1HB       TYR  11   2.910  15.469   7.907
   74   2HB   TYR  11          2HB       TYR  11   3.133  13.750   7.541
   75    HD1  TYR  11           HD1      TYR  11   5.446  13.416   7.626
   76    HD2  TYR  11           HD2      TYR  11   3.868  16.740   5.408
   77    HE1  TYR  11           HE1      TYR  11   7.711  13.896   6.735
   78    HE2  TYR  11           HE2      TYR  11   6.133  17.220   4.518
   79    HH   TYR  11           HH       TYR  11   8.772  15.067   4.778
   80    H    GLU  12           HN       GLU  12   3.575  14.727   3.945
   81    HA   GLU  12           HA       GLU  12   2.666  12.015   3.377
   82   1HB   GLU  12          1HB       GLU  12   2.720  14.431   1.629
   83   2HB   GLU  12          2HB       GLU  12   3.320  12.962   0.885
   84   1HG   GLU  12          1HG       GLU  12   1.165  12.360   0.518
   85   2HG   GLU  12          2HG       GLU  12   0.998  12.124   2.247
   86    HE2  GLU  12           HE2      GLU  12  -1.292  14.774   0.793
   87    H    TYR  13           HN       TYR  13   4.228  10.551   2.978
   88    HA   TYR  13           HA       TYR  13   6.961  11.461   2.335
   89   1HB   TYR  13          1HB       TYR  13   6.795  11.401   4.810
   90   2HB   TYR  13          2HB       TYR  13   6.287   9.706   4.719
   91    HD1  TYR  13           HD1      TYR  13   7.895   8.058   4.968
   92    HD2  TYR  13           HD2      TYR  13   9.079  11.934   3.547
   93    HE1  TYR  13           HE1      TYR  13  10.269   7.342   4.997
   94    HE2  TYR  13           HE2      TYR  13  11.454  11.218   3.576
   95    HH   TYR  13           HH       TYR  13  12.520   8.176   3.641
   96    H    ASP  14           HN       ASP  14   8.401   9.518   1.744
   97    HA   ASP  14           HA       ASP  14   6.751   7.264   0.956
   98   1HB   ASP  14          1HB       ASP  14   7.302   9.049  -0.923
   99   2HB   ASP  14          2HB       ASP  14   8.906   8.346  -0.885
  100    HD2  ASP  14           HD2      ASP  14   6.542   7.831  -3.135
  101    HA   PRO  15           HA       PRO  15  10.215   5.836   3.641
  102   1HB   PRO  15          1HB       PRO  15   8.805   3.345   2.574
  103   2HB   PRO  15          2HB       PRO  15   9.503   3.679   4.193
  104   1HG   PRO  15          1HG       PRO  15   6.896   4.011   3.688
  105   2HG   PRO  15          2HG       PRO  15   7.610   5.152   4.874
  106   1HD   PRO  15          HD2       PRO  15   6.655   5.623   2.094
  107   2HD   PRO  15          HD3       PRO  15   7.073   6.820   3.358
  108    H    ALA  16           HN       ALA  16  12.035   6.414   2.304
  109    HA   ALA  16           HA       ALA  16  13.188   4.320   0.875
  110   1HB   ALA  16          1HB       ALA  16  11.191   5.488  -0.632
  111   2HB   ALA  16          2HB       ALA  16  12.632   6.394  -1.151
  112   3HB   ALA  16          3HB       ALA  16  12.597   4.620  -1.292
  113    H    PHE  17           HN       PHE  17  14.560   5.307   2.677
  114    HA   PHE  17           HA       PHE  17  16.159   7.458   1.490
  115   1HB   PHE  17          1HB       PHE  17  14.575   7.353   3.958
  116   2HB   PHE  17          2HB       PHE  17  16.270   7.489   4.386
  117    HD1  PHE  17           HD1      PHE  17  16.716   9.662   5.004
  118    HD2  PHE  17           HD2      PHE  17  14.261   8.982   1.610
  119    HE1  PHE  17           HE1      PHE  17  16.626  12.133   4.573
  120    HE2  PHE  17           HE2      PHE  17  14.171  11.453   1.180
  121    HZ   PHE  17           HZ       PHE  17  15.355  13.000   2.666
  122    H    GLU  18           HN       GLU  18  18.314   7.627   2.996
  123    HA   GLU  18           HA       GLU  18  19.737   5.366   2.447
  124   1HB   GLU  18          1HB       GLU  18  20.455   7.259   4.713
  125   2HB   GLU  18          2HB       GLU  18  21.544   6.390   3.649
  126   1HG   GLU  18          1HG       GLU  18  20.024   7.841   1.831
  127   2HG   GLU  18          2HG       GLU  18  20.091   8.943   3.192
  128    HE2  GLU  18           HE2      GLU  18  23.572   9.373   2.922
  129    H    ASP  19           HN       ASP  19  19.045   6.512   5.833
  130    HA   ASP  19           HA       ASP  19  18.490   3.738   6.493
  131   1HB   ASP  19          1HB       ASP  19  20.887   4.529   7.111
  132   2HB   ASP  19          2HB       ASP  19  20.125   5.583   8.285
  133    HD2  ASP  19           HD2      ASP  19  18.755   2.116   8.502
  134    H    LEU  20           HN       LEU  20  17.238   3.591   8.626
  135    HA   LEU  20           HA       LEU  20  15.809   6.105   9.152
  136   1HB   LEU  20          1HB       LEU  20  14.753   3.859   8.024
  137   2HB   LEU  20          2HB       LEU  20  14.428   3.568   9.721
  138    HG   LEU  20           HG       LEU  20  13.725   6.288   8.870
  139   1HD1  LEU  20          1HD1      LEU  20  12.039   4.058   7.726
  140   2HD1  LEU  20          2HD1      LEU  20  11.909   5.811   7.444
  141   3HD1  LEU  20          3HD1      LEU  20  13.290   4.902   6.783
  142   1HD2  LEU  20          1HD2      LEU  20  13.112   4.678  10.964
  143   2HD2  LEU  20          2HD2      LEU  20  12.145   6.083  10.456
  144   3HD2  LEU  20          3HD2      LEU  20  11.677   4.446   9.936
  145    HA   PRO  21           HA       PRO  21  17.159   5.499  13.293
  146   1HB   PRO  21          1HB       PRO  21  15.914   7.559  14.472
  147   2HB   PRO  21          2HB       PRO  21  17.065   7.867  13.131
  148   1HG   PRO  21          1HG       PRO  21  13.900   7.816  12.730
  149   2HG   PRO  21          2HG       PRO  21  15.290   8.881  12.340
  150   1HD   PRO  21          HD2       PRO  21  14.223   6.738  10.745
  151   2HD   PRO  21          HD3       PRO  21  15.777   7.586  10.482
  152    H    ASP  22           HN       ASP  22  16.042   5.347  15.613
  153    HA   ASP  22           HA       ASP  22  13.659   3.738  15.179
  154   1HB   ASP  22          1HB       ASP  22  14.278   2.954  17.604
  155   2HB   ASP  22          2HB       ASP  22  15.225   2.356  16.255
  156    HD2  ASP  22           HD2      ASP  22  18.137   3.831  17.364
  157    H    ASP  23           HN       ASP  23  13.301   6.539  15.185
  158    HA   ASP  23           HA       ASP  23  11.432   6.885  17.149
  159   1HB   ASP  23          1HB       ASP  23  13.766   7.072  18.441
  160   2HB   ASP  23          2HB       ASP  23  13.787   8.686  17.760
  161    HD2  ASP  23           HD2      ASP  23  12.909  10.131  19.374
  162    H    TRP  24           HN       TRP  24  11.262   7.329  14.503
  163    HA   TRP  24           HA       TRP  24  12.084   9.992  13.789
  164   1HB   TRP  24          1HB       TRP  24  11.955   7.901  12.286
  165   2HB   TRP  24          2HB       TRP  24  10.234   8.218  12.217
  166    HD1  TRP  24           HD1      TRP  24  13.359  10.546  11.742
  167    HE1  TRP  24           HE1      TRP  24  13.062  12.045   9.590
  168    HE3  TRP  24           HE3      TRP  24   8.811   8.685  10.430
  169    HZ2  TRP  24           HZ2      TRP  24  11.006  12.279   7.626
  170    HZ3  TRP  24           HZ3      TRP  24   7.728   9.604   8.382
  171    HH2  TRP  24           HH2      TRP  24   8.751  11.339   6.998
  172    H    ALA  25           HN       ALA  25  10.771  11.827  13.771
  173    HA   ALA  25           HA       ALA  25   7.980  11.411  14.584
  174   1HB   ALA  25          1HB       ALA  25  10.099  13.234  15.734
  175   2HB   ALA  25          2HB       ALA  25   8.376  13.668  15.838
  176   3HB   ALA  25          3HB       ALA  25   8.960  12.160  16.582
  177    H    CYS  26           HN       CYS  26   6.466  12.688  13.511
  178    HA   CYS  26           HA       CYS  26   7.082  13.592  11.007
  179   1HB   CYS  26          1HB       CYS  26   4.807  13.098  12.152
  180   2HB   CYS  26          2HB       CYS  26   4.835  14.791  12.607
  181    HA   PRO  27           HA       PRO  27   9.221  17.382  11.848
  182   1HB   PRO  27          1HB       PRO  27   9.274  18.355   9.297
  183   2HB   PRO  27          2HB       PRO  27  10.206  16.900   9.780
  184   1HG   PRO  27          1HG       PRO  27   7.385  16.892   8.387
  185   2HG   PRO  27          2HG       PRO  27   8.947  16.106   7.991
  186   1HD   PRO  27          HD2       PRO  27   6.964  14.893   9.499
  187   2HD   PRO  27          HD3       PRO  27   8.705  14.573   9.766
  188    H    VAL  28           HN       VAL  28   5.903  16.978  11.181
  189    HA   VAL  28           HA       VAL  28   5.497  19.886  11.160
  190    HB   VAL  28           HB       VAL  28   3.646  17.639  10.341
  191   1HG1  VAL  28          1HG1      VAL  28   2.841  20.177   9.313
  192   2HG1  VAL  28          2HG1      VAL  28   1.979  19.113  10.451
  193   3HG1  VAL  28          3HG1      VAL  28   3.100  20.352  11.065
  194   1HG2  VAL  28          1HG2      VAL  28   5.646  19.257   8.869
  195   2HG2  VAL  28          2HG2      VAL  28   4.982  17.645   8.513
  196   3HG2  VAL  28          3HG2      VAL  28   4.053  19.103   8.088
  197    H    CYS  29           HN       CYS  29   3.090  17.418  12.070
  198    HA   CYS  29           HA       CYS  29   2.231  18.712  14.294
  199   1HB   CYS  29          1HB       CYS  29   1.319  16.519  15.027
  200   2HB   CYS  29          2HB       CYS  29   0.928  16.965  13.378
  201    H    GLY  30           HN       GLY  30   4.730  16.090  14.016
  202   1HA   GLY  30          HA1       GLY  30   6.744  16.254  15.278
  203   2HA   GLY  30          HA2       GLY  30   5.857  17.023  16.579
  204    H    ALA  31           HN       ALA  31   3.635  14.828  15.658
  205    HA   ALA  31           HA       ALA  31   3.990  13.161  17.837
  206   1HB   ALA  31          1HB       ALA  31   1.835  13.405  16.819
  207   2HB   ALA  31          2HB       ALA  31   2.447  12.870  15.236
  208   3HB   ALA  31          3HB       ALA  31   2.316  11.709  16.577
  209    H    SER  32           HN       SER  32   4.318  10.715  17.738
  210    HA   SER  32           HA       SER  32   6.817  10.282  16.464
  211   1HB   SER  32          1HB       SER  32   6.702   8.055  17.586
  212   2HB   SER  32          2HB       SER  32   6.416   9.379  18.699
  213    HG   SER  32           HG       SER  32   4.855   7.734  19.055
  214    H    LYS  33           HN       LYS  33   7.083   7.933  15.361
  215    HA   LYS  33           HA       LYS  33   5.295   7.997  13.106
  216   1HB   LYS  33          1HB       LYS  33   6.871   6.618  12.029
  217   2HB   LYS  33          2HB       LYS  33   7.815   7.749  12.978
  218   1HG   LYS  33          1HG       LYS  33   7.231   5.490  14.667
  219   2HG   LYS  33          2HG       LYS  33   7.787   4.861  13.129
  220   1HD   LYS  33          HD2       LYS  33   9.905   5.840  13.324
  221   2HD   LYS  33          HD3       LYS  33   9.324   7.166  14.313
  222   1HE   LYS  33          2HE       LYS  33   9.709   4.269  15.206
  223   2HE   LYS  33          3HE       LYS  33  10.676   5.648  15.696
  224   1HZ   LYS  33          HZ1       LYS  33   8.135   6.406  16.331
  225   2HZ   LYS  33          HZ2       LYS  33   8.114   4.818  16.693
  226    H    ASP  34           HN       ASP  34   3.665   7.475  15.165
  227    HA   ASP  34           HA       ASP  34   3.379   4.575  15.100
  228   1HB   ASP  34          1HB       ASP  34   3.715   5.554  17.373
  229   2HB   ASP  34          2HB       ASP  34   2.336   6.608  17.129
  230    HD2  ASP  34           HD2      ASP  34   0.039   4.306  18.046
  231    H    ALA  35           HN       ALA  35   1.800   7.809  14.884
  232    HA   ALA  35           HA       ALA  35  -0.794   6.753  14.351
  233   1HB   ALA  35          1HB       ALA  35   0.173   9.544  13.690
  234   2HB   ALA  35          2HB       ALA  35  -1.443   9.015  14.215
  235   3HB   ALA  35          3HB       ALA  35  -0.093   9.036  15.376
  236    H    PHE  36           HN       PHE  36   2.134   7.212  12.537
  237    HA   PHE  36           HA       PHE  36   1.030   7.755  10.023
  238   1HB   PHE  36          1HB       PHE  36   3.560   6.499  11.179
  239   2HB   PHE  36          2HB       PHE  36   3.331   6.465   9.443
  240    HD1  PHE  36           HD1      PHE  36   3.564   8.759  12.345
  241    HD2  PHE  36           HD2      PHE  36   3.821   8.352   8.130
  242    HE1  PHE  36           HE1      PHE  36   4.493  11.084  12.178
  243    HE2  PHE  36           HE2      PHE  36   4.750  10.678   7.962
  244    HZ   PHE  36           HZ       PHE  36   5.075  12.016   9.988
  245    H    GLU  37           HN       GLU  37   0.152   6.466   8.431
  246    HA   GLU  37           HA       GLU  37   0.398   3.607   8.776
  247   1HB   GLU  37          1HB       GLU  37  -1.861   4.815   9.719
  248   2HB   GLU  37          2HB       GLU  37  -2.342   4.561   8.053
  249   1HG   GLU  37          1HG       GLU  37  -1.135   2.333   9.746
  250   2HG   GLU  37          2HG       GLU  37  -2.859   2.651   9.719
  251    HE2  GLU  37           HE2      GLU  37  -2.936   2.028   6.177
  252    H    LYS  38           HN       LYS  38   0.446   2.470   6.805
  253    HA   LYS  38           HA       LYS  38   1.053   3.986   4.523
  254   1HB   LYS  38          1HB       LYS  38   2.068   1.841   4.860
  255   2HB   LYS  38          2HB       LYS  38   0.513   1.041   4.959
  256   1HG   LYS  38          1HG       LYS  38   0.162   2.107   2.529
  257   2HG   LYS  38          2HG       LYS  38   1.913   2.169   2.530
  258   1HD   LYS  38          HD2       LYS  38   1.719  -0.359   3.342
  259   2HD   LYS  38          HD3       LYS  38   0.105  -0.256   2.667
  260   1HE   LYS  38          2HE       LYS  38   1.003   0.382   0.466
  261   2HE   LYS  38          3HE       LYS  38   2.628   0.489   1.114
  262   1HZ   LYS  38          HZ1       LYS  38   1.205  -2.056   1.432
  263   2HZ   LYS  38          HZ2       LYS  38   1.793  -1.702  -0.044
  264    H    GLN  39           HN       GLN  39  -0.204   4.829   2.932
  265    HA   GLN  39           HA       GLN  39  -2.818   3.694   2.543
  266   1HB   GLN  39          1HB       GLN  39  -2.332   6.335   3.814
  267   2HB   GLN  39          2HB       GLN  39  -3.470   6.381   2.482
  268   1HG   GLN  39          1HG       GLN  39  -3.839   4.117   4.403
  269   2HG   GLN  39          2HG       GLN  39  -4.152   5.713   5.057
  270   1HE2  GLN  39          1HE2      GLN  39  -4.846   3.611   2.287
  271   2HE2  GLN  39          2HE2      GLN  39  -6.456   4.167   1.977
  Start of MODEL   20
    1   1H    MET   1           HN       MET   1   8.305   1.910  -0.184
    2    HA   MET   1           HA       MET   1   6.570   1.530  -2.472
    3   1HB   MET   1          1HB       MET   1   7.975  -0.602  -1.361
    4   2HB   MET   1          2HB       MET   1   6.498  -0.651  -0.419
    5   1HG   MET   1          1HG       MET   1   5.151  -1.135  -2.280
    6   2HG   MET   1          2HG       MET   1   6.237  -0.347  -3.409
    7   1HE   MET   1          1HE       MET   1   6.574  -4.580  -1.691
    8   2HE   MET   1          2HE       MET   1   6.821  -3.196  -0.599
    9   3HE   MET   1          3HE       MET   1   5.269  -3.396  -1.446
   10    H    ASP   2           HN       ASP   2   4.295   1.584  -1.952
   11    HA   ASP   2           HA       ASP   2   2.518   2.101  -0.816
   12   1HB   ASP   2          1HB       ASP   2   3.980   0.621   1.050
   13   2HB   ASP   2          2HB       ASP   2   3.650   2.102   1.925
   14    HD2  ASP   2           HD2      ASP   2   1.548  -0.526   0.344
   15    H    ILE   3           HN       ILE   3   2.140   3.636   1.603
   16    HA   ILE   3           HA       ILE   3   3.929   5.907   1.413
   17    HB   ILE   3           HB       ILE   3   1.105   5.904   0.456
   18   1HG1  ILE   3          2HG1      ILE   3   2.714   7.919  -0.718
   19   2HG1  ILE   3          3HG1      ILE   3   3.728   6.495  -0.587
   20   1HG2  ILE   3          1HG2      ILE   3   0.929   8.329   0.850
   21   2HG2  ILE   3          2HG2      ILE   3   0.985   7.397   2.365
   22   3HG2  ILE   3          3HG2      ILE   3   2.431   8.272   1.804
   23   1HD1  ILE   3          1HD1      ILE   3   2.298   6.689  -2.719
   24   2HD1  ILE   3          2HD1      ILE   3   2.193   5.143  -1.843
   25   3HD1  ILE   3          3HD1      ILE   3   0.891   6.347  -1.684
   26    H    TYR   4           HN       TYR   4   3.903   7.191   3.246
   27    HA   TYR   4           HA       TYR   4   2.338   6.069   5.524
   28   1HB   TYR   4          1HB       TYR   4   5.182   7.089   5.348
   29   2HB   TYR   4          2HB       TYR   4   4.321   6.945   6.889
   30    HD1  TYR   4           HD1      TYR   4   3.722   4.745   7.798
   31    HD2  TYR   4           HD2      TYR   4   5.931   5.130   4.134
   32    HE1  TYR   4           HE1      TYR   4   4.359   2.352   7.931
   33    HE2  TYR   4           HE2      TYR   4   6.567   2.736   4.266
   34    HH   TYR   4           HH       TYR   4   6.713   0.891   5.791
   35    H    VAL   5           HN       VAL   5   0.647   7.724   4.826
   36    HA   VAL   5           HA       VAL   5   1.450  10.473   5.169
   37    HB   VAL   5           HB       VAL   5  -1.181   9.114   4.565
   38   1HG1  VAL   5          1HG1      VAL   5  -1.566  11.214   5.794
   39   2HG1  VAL   5          2HG1      VAL   5  -0.558  12.088   4.615
   40   3HG1  VAL   5          3HG1      VAL   5  -2.088  11.339   4.097
   41   1HG2  VAL   5          1HG2      VAL   5   1.071  10.068   2.949
   42   2HG2  VAL   5          2HG2      VAL   5  -0.268   8.976   2.520
   43   3HG2  VAL   5          3HG2      VAL   5  -0.495  10.740   2.433
   44    H    CYS   6           HN       CYS   6   1.655  11.374   7.145
   45    HA   CYS   6           HA       CYS   6   1.056  10.166   9.493
   46   1HB   CYS   6          1HB       CYS   6   2.454  12.195   9.177
   47   2HB   CYS   6          2HB       CYS   6   0.997  13.147   8.979
   48    H    THR   7           HN       THR   7  -0.723  10.411  11.044
   49    HA   THR   7           HA       THR   7  -3.261  11.073   9.705
   50    HB   THR   7           HB       THR   7  -4.183   9.460  11.473
   51    HG1  THR   7           HG1      THR   7  -2.270   9.717  12.876
   52   1HG2  THR   7          1HG2      THR   7  -3.382   8.724   9.083
   53   2HG2  THR   7          2HG2      THR   7  -1.928   8.124   9.918
   54   3HG2  THR   7          3HG2      THR   7  -3.527   7.461  10.330
   55    H    VAL   8           HN       VAL   8  -1.207  12.846  11.185
   56    HA   VAL   8           HA       VAL   8  -3.113  13.839  13.191
   57    HB   VAL   8           HB       VAL   8  -0.113  13.733  13.105
   58   1HG1  VAL   8          1HG1      VAL   8  -0.475  15.205  15.316
   59   2HG1  VAL   8          2HG1      VAL   8  -0.158  15.929  13.721
   60   3HG1  VAL   8          3HG1      VAL   8  -1.823  15.839  14.342
   61   1HG2  VAL   8          1HG2      VAL   8  -0.688  13.133  15.608
   62   2HG2  VAL   8          2HG2      VAL   8  -2.297  12.782  14.931
   63   3HG2  VAL   8          3HG2      VAL   8  -0.867  11.919  14.317
   64    H    CYS   9           HN       CYS   9  -0.528  14.823  10.836
   65    HA   CYS   9           HA       CYS   9  -1.986  17.342  10.540
   66   1HB   CYS   9          1HB       CYS   9   0.212  18.084   9.446
   67   2HB   CYS   9          2HB       CYS   9   0.140  17.943  11.191
   68    H    GLY  10           HN       GLY  10  -1.007  14.311   9.083
   69   1HA   GLY  10          HA1       GLY  10  -1.995  13.451   7.164
   70   2HA   GLY  10          HA2       GLY  10  -2.364  15.070   6.604
   71    H    TYR  11           HN       TYR  11   0.760  14.894   7.915
   72    HA   TYR  11           HA       TYR  11   2.201  15.710   5.753
   73   1HB   TYR  11          1HB       TYR  11   3.024  15.361   8.093
   74   2HB   TYR  11          2HB       TYR  11   3.138  13.626   7.751
   75    HD1  TYR  11           HD1      TYR  11   5.418  13.127   7.780
   76    HD2  TYR  11           HD2      TYR  11   4.039  16.564   5.603
   77    HE1  TYR  11           HE1      TYR  11   7.697  13.458   6.860
   78    HE2  TYR  11           HE2      TYR  11   6.318  16.896   4.683
   79    HH   TYR  11           HH       TYR  11   8.729  16.279   5.313
   80    H    GLU  12           HN       GLU  12   3.679  14.575   4.189
   81    HA   GLU  12           HA       GLU  12   2.622  11.931   3.562
   82   1HB   GLU  12          1HB       GLU  12   2.770  14.368   1.875
   83   2HB   GLU  12          2HB       GLU  12   3.413  12.933   1.101
   84   1HG   GLU  12          1HG       GLU  12   1.095  11.934   2.245
   85   2HG   GLU  12          2HG       GLU  12   0.608  13.575   1.868
   86    HE2  GLU  12           HE2      GLU  12  -0.015  13.324  -1.016
   87    H    TYR  13           HN       TYR  13   4.123  10.398   3.411
   88    HA   TYR  13           HA       TYR  13   6.972  11.234   3.388
   89   1HB   TYR  13          1HB       TYR  13   6.194   9.874   5.286
   90   2HB   TYR  13          2HB       TYR  13   5.638   8.618   4.167
   91    HD1  TYR  13           HD1      TYR  13   7.011   6.783   3.904
   92    HD2  TYR  13           HD2      TYR  13   8.776  10.586   4.838
   93    HE1  TYR  13           HE1      TYR  13   9.255   5.726   3.973
   94    HE2  TYR  13           HE2      TYR  13  11.019   9.530   4.908
   95    HH   TYR  13           HH       TYR  13  11.762   6.682   5.360
   96    H    ASP  14           HN       ASP  14   8.522   9.845   2.088
   97    HA   ASP  14           HA       ASP  14   7.139   8.635  -0.165
   98   1HB   ASP  14          1HB       ASP  14   8.181  11.041  -0.517
   99   2HB   ASP  14          2HB       ASP  14   9.717  10.199  -0.513
  100    HD2  ASP  14           HD2      ASP  14   9.399   9.894  -3.858
  101    HA   PRO  15           HA       PRO  15   9.761   5.486   1.984
  102   1HB   PRO  15          1HB       PRO  15   8.605   4.176  -0.521
  103   2HB   PRO  15          2HB       PRO  15   8.878   3.503   1.120
  104   1HG   PRO  15          1HG       PRO  15   6.501   4.462   0.358
  105   2HG   PRO  15          2HG       PRO  15   6.898   4.673   2.095
  106   1HD   PRO  15          HD2       PRO  15   6.694   6.690  -0.076
  107   2HD   PRO  15          HD3       PRO  15   6.831   6.953   1.689
  108    H    ALA  16           HN       ALA  16  11.835   6.516   1.525
  109    HA   ALA  16           HA       ALA  16  13.367   5.257  -0.389
  110   1HB   ALA  16          1HB       ALA  16  12.178   6.354  -2.144
  111   2HB   ALA  16          2HB       ALA  16  12.190   7.910  -1.281
  112   3HB   ALA  16          3HB       ALA  16  13.702   7.256  -1.956
  113    H    PHE  17           HN       PHE  17  14.307   5.304   1.871
  114    HA   PHE  17           HA       PHE  17  15.963   7.708   2.115
  115   1HB   PHE  17          1HB       PHE  17  13.894   6.653   3.871
  116   2HB   PHE  17          2HB       PHE  17  15.433   6.404   4.672
  117    HD1  PHE  17           HD1      PHE  17  13.040   8.295   5.365
  118    HD2  PHE  17           HD2      PHE  17  16.797   8.899   3.486
  119    HE1  PHE  17           HE1      PHE  17  13.034  10.687   6.122
  120    HE2  PHE  17           HE2      PHE  17  16.791  11.292   4.244
  121    HZ   PHE  17           HZ       PHE  17  14.910  12.158   5.553
  122    H    GLU  18           HN       GLU  18  17.630   7.020   4.152
  123    HA   GLU  18           HA       GLU  18  18.507   4.318   3.678
  124   1HB   GLU  18          1HB       GLU  18  19.631   6.337   2.154
  125   2HB   GLU  18          2HB       GLU  18  20.735   6.274   3.514
  126   1HG   GLU  18          1HG       GLU  18  21.595   4.700   1.923
  127   2HG   GLU  18          2HG       GLU  18  20.847   3.732   3.179
  128    HE2  GLU  18           HE2      GLU  18  20.325   3.787  -0.452
  129    H    ASP  19           HN       ASP  19  17.370   4.867   5.979
  130    HA   ASP  19           HA       ASP  19  19.349   4.510   7.846
  131   1HB   ASP  19          1HB       ASP  19  19.794   6.950   7.450
  132   2HB   ASP  19          2HB       ASP  19  18.137   7.314   7.888
  133    HD2  ASP  19           HD2      ASP  19  20.651   8.133   9.250
  134    H    LEU  20           HN       LEU  20  16.339   6.580   7.750
  135    HA   LEU  20           HA       LEU  20  14.535   6.511   9.082
  136   1HB   LEU  20          1HB       LEU  20  13.565   5.369   7.376
  137   2HB   LEU  20          2HB       LEU  20  14.678   4.018   7.478
  138    HG   LEU  20           HG       LEU  20  13.027   4.158   9.862
  139   1HD1  LEU  20          1HD1      LEU  20  11.582   5.227   7.916
  140   2HD1  LEU  20          2HD1      LEU  20  11.355   3.519   7.472
  141   3HD1  LEU  20          3HD1      LEU  20  10.881   4.088   9.090
  142   1HD2  LEU  20          1HD2      LEU  20  13.016   1.900   9.660
  143   2HD2  LEU  20          2HD2      LEU  20  12.771   1.941   7.897
  144   3HD2  LEU  20          3HD2      LEU  20  14.388   2.242   8.579
  145    HA   PRO  21           HA       PRO  21  16.693   4.762  12.733
  146   1HB   PRO  21          1HB       PRO  21  15.361   7.173  13.922
  147   2HB   PRO  21          2HB       PRO  21  17.072   6.635  13.981
  148   1HG   PRO  21          1HG       PRO  21  16.315   8.766  12.449
  149   2HG   PRO  21          2HG       PRO  21  17.632   7.613  12.061
  150   1HD   PRO  21          HD2       PRO  21  14.750   7.727  11.051
  151   2HD   PRO  21          HD3       PRO  21  16.252   7.397  10.135
  152    H    ASP  22           HN       ASP  22  15.574   4.440  15.065
  153    HA   ASP  22           HA       ASP  22  12.942   3.426  14.421
  154   1HB   ASP  22          1HB       ASP  22  13.297   2.369  16.811
  155   2HB   ASP  22          2HB       ASP  22  14.157   1.703  15.437
  156    HD2  ASP  22           HD2      ASP  22  15.735   1.048  17.418
  157    H    ASP  23           HN       ASP  23  13.181   6.273  14.723
  158    HA   ASP  23           HA       ASP  23  11.295   6.699  16.742
  159   1HB   ASP  23          1HB       ASP  23  13.550   6.582  18.025
  160   2HB   ASP  23          2HB       ASP  23  13.974   8.075  17.212
  161    HD2  ASP  23           HD2      ASP  23  12.560   8.752  20.499
  162    H    TRP  24           HN       TRP  24  11.139   7.197  14.059
  163    HA   TRP  24           HA       TRP  24  12.139   9.806  13.398
  164   1HB   TRP  24          1HB       TRP  24  11.870   7.855  11.809
  165   2HB   TRP  24          2HB       TRP  24  10.141   8.129  11.880
  166    HD1  TRP  24           HD1      TRP  24  13.115  10.627  11.319
  167    HE1  TRP  24           HE1      TRP  24  12.640  12.159   9.224
  168    HE3  TRP  24           HE3      TRP  24   8.647   8.512  10.128
  169    HZ2  TRP  24           HZ2      TRP  24  10.497  12.310   7.345
  170    HZ3  TRP  24           HZ3      TRP  24   7.428   9.411   8.148
  171    HH2  TRP  24           HH2      TRP  24   8.284  11.243   6.776
  172    H    ALA  25           HN       ALA  25  10.895  11.729  13.244
  173    HA   ALA  25           HA       ALA  25   8.169  11.526  14.316
  174   1HB   ALA  25          1HB       ALA  25   9.248  12.385  16.179
  175   2HB   ALA  25          2HB       ALA  25  10.500  13.201  15.213
  176   3HB   ALA  25          3HB       ALA  25   8.861  13.890  15.312
  177    H    CYS  26           HN       CYS  26   6.635  12.793  13.267
  178    HA   CYS  26           HA       CYS  26   7.091  13.512  10.672
  179   1HB   CYS  26          1HB       CYS  26   4.897  13.230  12.092
  180   2HB   CYS  26          2HB       CYS  26   5.031  14.966  12.292
  181    HA   PRO  27           HA       PRO  27   9.459  17.233  11.076
  182   1HB   PRO  27          1HB       PRO  27   9.248  18.076   8.473
  183   2HB   PRO  27          2HB       PRO  27  10.213  16.643   8.951
  184   1HG   PRO  27          1HG       PRO  27   7.276  16.583   7.783
  185   2HG   PRO  27          2HG       PRO  27   8.833  15.784   7.389
  186   1HD   PRO  27          HD2       PRO  27   6.893  14.722   9.101
  187   2HD   PRO  27          HD3       PRO  27   8.639  14.351   9.234
  188    H    VAL  28           HN       VAL  28   6.067  16.959  10.736
  189    HA   VAL  28           HA       VAL  28   5.794  19.881  10.640
  190    HB   VAL  28           HB       VAL  28   3.775  17.700  10.078
  191   1HG1  VAL  28          1HG1      VAL  28   2.326  19.351  10.615
  192   2HG1  VAL  28          2HG1      VAL  28   3.551  20.631  10.438
  193   3HG1  VAL  28          3HG1      VAL  28   2.735  19.973   8.999
  194   1HG2  VAL  28          1HG2      VAL  28   5.629  19.275   8.339
  195   2HG2  VAL  28          2HG2      VAL  28   5.063  17.594   8.186
  196   3HG2  VAL  28          3HG2      VAL  28   3.990  18.940   7.729
  197    H    CYS  29           HN       CYS  29   3.363  17.577  11.855
  198    HA   CYS  29           HA       CYS  29   2.764  18.981  14.091
  199   1HB   CYS  29          1HB       CYS  29   1.843  16.857  14.996
  200   2HB   CYS  29          2HB       CYS  29   1.324  17.250  13.369
  201    H    GLY  30           HN       GLY  30   5.086  16.202  13.748
  202   1HA   GLY  30          HA1       GLY  30   7.228  16.353  14.809
  203   2HA   GLY  30          HA2       GLY  30   6.489  17.210  16.145
  204    H    ALA  31           HN       ALA  31   4.094  15.110  15.573
  205    HA   ALA  31           HA       ALA  31   4.564  13.516  17.765
  206   1HB   ALA  31          1HB       ALA  31   2.937  12.319  15.596
  207   2HB   ALA  31          2HB       ALA  31   2.494  12.714  17.275
  208   3HB   ALA  31          3HB       ALA  31   2.492  13.988  16.031
  209    H    SER  32           HN       SER  32   4.860  11.088  17.811
  210    HA   SER  32           HA       SER  32   7.228  10.491  16.399
  211   1HB   SER  32          1HB       SER  32   6.953   8.231  17.559
  212   2HB   SER  32          2HB       SER  32   7.041   9.625  18.619
  213    HG   SER  32           HG       SER  32   4.742   8.050  17.901
  214    H    LYS  33           HN       LYS  33   7.387   8.163  15.305
  215    HA   LYS  33           HA       LYS  33   5.457   8.199  13.174
  216   1HB   LYS  33          1HB       LYS  33   6.942   6.335  12.296
  217   2HB   LYS  33          2HB       LYS  33   7.683   7.913  12.474
  218   1HG   LYS  33          1HG       LYS  33   9.109   7.206  14.128
  219   2HG   LYS  33          2HG       LYS  33   7.878   6.243  14.919
  220   1HD   LYS  33          HD2       LYS  33   8.257   4.824  12.563
  221   2HD   LYS  33          HD3       LYS  33   9.869   5.445  12.859
  222   1HE   LYS  33          2HE       LYS  33  10.195   4.068  14.656
  223   2HE   LYS  33          3HE       LYS  33   8.611   4.410  15.322
  224   1HZ   LYS  33          HZ1       LYS  33   9.406   2.243  13.573
  225   2HZ   LYS  33          HZ2       LYS  33   8.198   2.290  14.664
  226    H    ASP  34           HN       ASP  34   3.928   7.756  15.311
  227    HA   ASP  34           HA       ASP  34   3.626   4.859  15.397
  228   1HB   ASP  34          1HB       ASP  34   3.999   5.977  17.598
  229   2HB   ASP  34          2HB       ASP  34   2.615   7.013  17.313
  230    HD2  ASP  34           HD2      ASP  34   3.287   4.773  19.257
  231    H    ALA  35           HN       ALA  35   1.848   8.037  15.384
  232    HA   ALA  35           HA       ALA  35  -0.681   6.972  14.869
  233   1HB   ALA  35          1HB       ALA  35  -0.457   9.571  13.716
  234   2HB   ALA  35          2HB       ALA  35  -1.128   9.129  15.305
  235   3HB   ALA  35          3HB       ALA  35   0.596   9.540  15.151
  236    H    PHE  36           HN       PHE  36   2.162   7.365  12.870
  237    HA   PHE  36           HA       PHE  36   0.954   7.674  10.384
  238   1HB   PHE  36          1HB       PHE  36   3.517   6.455  11.514
  239   2HB   PHE  36          2HB       PHE  36   3.210   6.325   9.794
  240    HD1  PHE  36           HD1      PHE  36   3.650   8.761  12.548
  241    HD2  PHE  36           HD2      PHE  36   3.624   8.142   8.349
  242    HE1  PHE  36           HE1      PHE  36   4.605  11.056  12.204
  243    HE2  PHE  36           HE2      PHE  36   4.579  10.437   8.005
  244    HZ   PHE  36           HZ       PHE  36   5.058  11.867   9.937
  245    H    GLU  37           HN       GLU  37  -0.003   6.277   8.933
  246    HA   GLU  37           HA       GLU  37   0.022   3.466   9.711
  247   1HB   GLU  37          1HB       GLU  37  -2.211   5.145   9.790
  248   2HB   GLU  37          2HB       GLU  37  -2.392   4.334   8.247
  249   1HG   GLU  37          1HG       GLU  37  -3.249   2.572   9.398
  250   2HG   GLU  37          2HG       GLU  37  -1.620   2.254   9.961
  251    HE2  GLU  37           HE2      GLU  37  -2.245   3.561  13.148
  252    H    LYS  38           HN       LYS  38   0.027   1.927   7.963
  253    HA   LYS  38           HA       LYS  38   1.243   2.978   5.589
  254   1HB   LYS  38          1HB       LYS  38   1.850   0.827   6.875
  255   2HB   LYS  38          2HB       LYS  38   0.461   0.106   6.088
  256   1HG   LYS  38          1HG       LYS  38   1.417   0.221   3.957
  257   2HG   LYS  38          2HG       LYS  38   2.385   1.630   4.345
  258   1HD   LYS  38          HD2       LYS  38   4.076   0.054   4.380
  259   2HD   LYS  38          HD3       LYS  38   3.564  -0.099   6.048
  260   1HE   LYS  38          2HE       LYS  38   2.238  -2.064   5.569
  261   2HE   LYS  38          3HE       LYS  38   2.338  -1.802   3.839
  262   1HZ   LYS  38          HZ1       LYS  38   4.955  -1.957   4.660
  263   2HZ   LYS  38          HZ2       LYS  38   4.220  -3.112   5.541
  264    H    GLN  39           HN       GLN  39  -0.186   4.152   4.341
  265    HA   GLN  39           HA       GLN  39  -2.195   2.575   3.052
  266   1HB   GLN  39          1HB       GLN  39  -3.047   3.989   5.247
  267   2HB   GLN  39          2HB       GLN  39  -3.276   5.190   3.992
  268   1HG   GLN  39          1HG       GLN  39  -5.203   4.146   3.417
  269   2HG   GLN  39          2HG       GLN  39  -4.254   2.783   2.860
  270   1HE2  GLN  39          1HE2      GLN  39  -3.882   1.016   4.212
  271   2HE2  GLN  39          2HE2      GLN  39  -4.870   0.670   5.592