*HEADER    ELECTRON TRANSPORT                      11-OCT-99   1QN0
*TITLE     SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS FERROCYTOCHROME
*TITLE    2 C3, NMR, 20 STRUCTURES
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: CYTOCHROME C3;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: TETRAHEME CYTOCHROME;
*COMPND   5 OTHER_DETAILS: CLASS III OF C-TYPE CYTOCHROMES, FULLY
*COMPND   6 REDUCED FORM
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS;
*SOURCE   3 CELLULAR_LOCATION: PERIPLASM
*KEYWDS    ELECTRON TRANSPORT, HEMEPROTEIN, CYTOCHROME C3, REDOX-BOHR
*KEYWDS   2 EFFECT, REDOX COOPERATIVITY, ENERGY TRANSDUCTION
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    A.C.MESSIAS,M.L.TEODORO,L.BRENNAN,J.LEGALL,H.SANTOS,
*AUTHOR   2 A.V.XAVIER,D.L.TURNER




#Lower limit volumes 
  1 VAL  
         HA      1 VAL  HB      428.97                
         HA      1 VAL  QG1     228.15                
         HA      1 VAL  QG2     490.75                
         QG1    37 HEMC QM8     238.27                
         QG1    37 HEMC HDM     163.88                
         QG1    37 HEMC QM1     398.05                
         QG1    46 TYRF HQD2    165.10                
         QG1    46 TYRF HQE2    169.18                
         QG2    37 HEMC HDM     284.35                
         QG2    46 TYRF HB3      21.38                
  2 ASP- 
         HA      2 ASP- HB2     855.82                
         HA      3 VAL  HA       77.45                
         HA      3 VAL  HB        2.04                
         HA      3 VAL  QG1      52.90                
         HA      3 VAL  QG2      14.37                
         HA     37 HEMC QM1       2.61                
         HB3     3 VAL  HN       51.25                
  3 VAL  
         HN      3 VAL  HA      282.70                
         HN      3 VAL  HB      735.55                
         HN      3 VAL  QG1     639.80                
         HN      3 VAL  QG2     335.25                
         HN     37 HEMC QM1      67.98                
         HA      3 VAL  HB      122.90                
         HA      3 VAL  QG1     450.42                
         HA      3 VAL  QG2     553.10                
         HA      4 FPR  HD2    1206.50                
         HA      4 FPR  HG2      43.75                
         HA      4 FPR  HG3      41.94                
         HA     37 HEMC HDM     218.65                
         HA     37 HEMC QM1     244.70                
         HB      3 VAL  QG1     687.30                
         HB      3 VAL  QG2     750.98                
         HB      4 FPR  HD2     129.25                
         HB     37 HEMC QM1     241.55                
         HB     37 HEMC QT2     353.90                
         QG1     3 VAL  QG2    1699.50                
         QG1     4 FPR  HD2     196.85                
         QG1     4 FPR  HD3       7.86                
         QG1     4 FPR  HA       22.87                
         QG1    26 HISH HB2     655.81                
         QG1    26 HISH HB3     557.24                
         QG1    37 HEMC QM1     157.10                
         QG1    37 HEMC QT2     190.34                
         QG2     4 FPR  HD2     448.40                
         QG2     4 FPR  HD3     226.21                
         QG2    26 HISH HB2     298.00                
         QG2    26 HISH HB3     504.88                
         QG2    26 HISH HD2     467.33                
         QG2    37 HEMC QM1     294.80                
         QG2    37 HEMC QT2     644.30                
  4 FPR  
         HD2     4 FPR  HD3    2139.59                
         HD2     4 FPR  HG2     469.93                
         HD2     4 FPR  HG3     377.55                
         HD2     4 FPR  HA        9.87                
         HD2     4 FPR  HB2     108.70                
         HD2     4 FPR  HB3      85.10                
         HD2    26 HISH HD2      17.90                
         HD2    26 HISH HE1      78.68                
         HD2    37 HEMC QM8      13.18                
         HD2    37 HEMC HDM      48.75                
         HD2    37 HEMC QM1      19.22                
         HD3     4 FPR  HG2     485.55                
         HD3     4 FPR  HG3     528.02                
         HD3     4 FPR  HB2      46.50                
         HD3    37 HEMC QM8     123.20                
         HD3    37 HEMC HDM     285.10                
         HG2     4 FPR  HA      158.31                
         HG2     4 FPR  HB2     493.70                
         HG2     4 FPR  HB3     562.70                
         HG2    26 HISH HD1      14.04                
         HG3     4 FPR  HA      194.35                
         HG3     4 FPR  HB2     136.08                
         HG3    37 HEMC HB72     34.04                
         HG3    37 HEMC QM8     402.45                
         HA      4 FPR  HB2     486.59                
         HA      4 FPR  HB3     941.90                
         HA      5 ALA  QB       75.85                
         HB2     5 ALA  HN      247.60                
         HB2    26 HISH HD1     218.30                
         HB3     5 ALA  HN      267.25                
  5 ALA  
         HN      5 ALA  HA      513.40                
         HN      5 ALA  QB     1555.00                
         HN      6 ASP- HN       44.26                
         HA      5 ALA  QB     1884.50                
         HA      6 ASP- HN     1248.15                
         QB      6 ASP- HN      557.55                
  6 ASP- 
         HN      6 ASP- HA      255.00                
         HN      6 ASP- HB3     661.90                
         HA      6 ASP- HB3     258.95                
         HA     25 ASN  HA      817.63                
         HA     25 ASN  HB2      10.13                
         HB2    25 ASN  HD22     34.45                
  7 GLY  
         HN      7 GLY  HA1     335.65                
         HN      7 GLY  HA2     574.40                
         HN      8 ALA  HN      302.05                
         HN     23 VAL  QG1     135.65                
         HA1     7 GLY  HA2    1660.40                
         HA1    23 VAL  QG1     625.45                
         HA2     8 ALA  HN       93.45                
  8 ALA  
         HN      8 ALA  QB      753.35                
         HN     23 VAL  QG1      89.65                
         HN     24 PHE  HN       35.85                
         HA      8 ALA  QB    91657.98                
         HA      9 LYS+ HN     1668.50                
         QB     23 VAL  QG1     101.21                
         QB     24 PHE  HN       75.80                
         QB     24 PHE  HB2     102.80                
         QB     24 PHE  HB3     268.62                
         QB     24 PHE  HD1      51.08                
  9 LYS+ 
         HN      9 LYS+ HA      123.80                
         HN      9 LYS+ HB2     560.80                
         HA      9 LYS+ HB2     663.88                
         HA      9 LYS+ HG3      78.10                
         HA      9 LYS+ HD3      65.76                
         HA     10 ILE  HN     1496.50                
         HA     21 THR  QG2      76.94                
         HA     22 VAL  HN       21.28                
         HA     23 VAL  QG1      14.31                
         HA     23 VAL  QG2      63.26                
         HA     24 PHE  HN       85.45                
         HB2    10 ILE  HN      127.80                
         HB3    10 ILE  HN       90.60                
         HE3    21 THR  QG2      66.75                
 10 ILE  
         HN     10 ILE  HA      209.55                
         HN     10 ILE  HB      565.50                
         HN     10 ILE  QG2     128.65                
         HN     10 ILE  HG12    115.00                
         HN     10 ILE  HG13    243.20                
         HN     10 ILE  QD1      52.85                
         HN     21 THR  QG2      43.54                
         HN     22 VAL  HN      129.35                
         HN     22 VAL  HB       48.32                
         HN     23 VAL  HA       72.45                
         HA     10 ILE  HB      195.15                
         HA     10 ILE  QG2     678.75                
         HA     10 ILE  HG13     77.24                
         HA     11 ASP- HN     1683.00                
         HA     11 ASP- HB2      65.90                
         HA     12 PHEF HQE1      1.11                
         HB     10 ILE  QG2     717.45                
         HB     10 ILE  HG13    289.99                
         HB     22 VAL  HB      653.81                
         HB     22 VAL  QG2     129.53                
         HB    109 HEMC QM5     129.55                
         HB    109 HEMC HB63     32.28                
         QG2    10 ILE  HG12    551.98                
         QG2    10 ILE  QD1     848.90                
         QG2    11 ASP- HN       97.85                
         QG2    11 ASP- HA       31.35                
         QG2    12 PHEF HN      147.05                
         QG2    12 PHEF HQD1    517.15                
         QG2    12 PHEF HQE1    427.75                
         QG2    12 PHEF HZ       22.08                
         QG2    22 VAL  QG2      37.30                
         QG2    68 TRP  HE1     203.50                
         QG2    68 TRP  HZ2    1124.81                
         QG2    68 TRP  HH2      86.30                
         QG2   109 HEMC HA62    176.76                
         QG2   109 HEMC HB63    169.29                
         HG12   10 ILE  HG13    757.20                
         HG12   22 VAL  HB       36.25                
         HG13   10 ILE  QD1     300.35                
         QD1    24 PHE  HD2      54.33                
         QD1    37 HEMC QM5       7.43                
         QD1    68 TRP  HZ2     151.22                
         QD1    68 TRP  HH2      44.81                
 11 ASP- 
         HN     11 ASP- HA      301.55                
         HN     11 ASP- HB3     430.85                
         HN     12 PHEF HN      131.95                
         HN     12 PHEF HD2       0.73                
         HA     11 ASP- HB2     617.62                
         HA     11 ASP- HB3     429.30                
         HA     12 PHEF HN     1025.50                
         HA     13 ILE  HN      175.00                
         HA     21 THR  HA      183.52                
         HA     21 THR  QG2      51.11                
         HB2    21 THR  QG2     733.85                
         HB3    21 THR  HA       47.84                
         HB3    21 THR  QG2     425.56                
 12 PHEF 
         HN     12 PHEF HA      340.85                
         HN     12 PHEF HB2     352.80                
         HN     12 PHEF HB3     180.70                
         HN     12 PHEF HD2      96.88                
         HN     12 PHEF HE2       4.27                
         HN     13 ILE  HB      122.80                
         HN     13 ILE  HG13    105.25                
         HA     12 PHEF HB2     352.69                
         HA     12 PHEF HB3     635.91                
         HA     12 PHEF HD2     574.75                
         HA     12 PHEF HE2      35.79                
         HA     13 ILE  HN       89.65                
         HA     50 THR  QG2       3.36                
         HA     58 LEU  QD2      20.57                
         HB2    12 PHEF HB3    2803.00                
         HB2    12 PHEF HD2     366.27                
         HB2    12 PHEF HE2      28.00                
         HB2    13 ILE  HN      144.90                
         HB2    50 THR  QG2     148.25                
         HB2    68 TRP  HD1     117.79                
         HB2    68 TRP  HE1     147.30                
         HB3    12 PHEF HD2     389.37                
         HB3    12 PHEF HE2       6.37                
         HB3    13 ILE  HN       59.10                
         HB3    58 LEU  QD1     169.45                
         HB3    58 LEU  QD2     209.38                
         HB3    68 TRP  HD1     105.20                
         HB3    68 TRP  HE1      43.05                
         HD2    12 PHEF HE2     612.25                
         HD2    12 PHEF HZ      139.29                
         HD2    58 LEU  QD2      25.76                
         HE2    12 PHEF HZ     1103.25                
         HQD1   13 ILE  HN       35.85                
         HQD1   50 THR  QG2     361.89                
         HQD1   68 TRP  HD1      13.00                
         HQD1   68 TRP  HE1     179.88                
         HQD1   68 TRP  HZ2     157.61                
         HQD1  109 HEMC HA62     38.99                
         HQE1   37 HEMC HB62     95.90                
         HQE1   50 THR  QG2     104.65                
         HQE1   68 TRP  HZ2      68.72                
 13 ILE  
         HN     13 ILE  HB      760.10                
         HN     13 ILE  QG2     120.80                
         HN     13 ILE  HG13    290.80                
         HN     68 TRP  HD1      18.58                
         HA     58 LEU  QD1      69.70                
         HB     13 ILE  HG13     88.36                
         HB     58 LEU  QD2      38.01                
         HB     68 TRP  HD1      56.82                
         HB    109 HEMC HGM      18.84                
         QG2    13 ILE  HG13    398.00                
         QG2    14 ALA  HN       11.79                
         QG2    68 TRP  HD1      60.55                
         QG2    69 TYRF HQD1     21.75                
         QG2   109 HEMC HB72    198.50                
         HG13   58 LEU  QD2     535.25                
         HG13   68 TRP  HD1     930.40                
         QD1    60 LYS+ HA       46.07                
         QD1    68 TRP  HE1     211.20                
         QD1    69 TYRF HN      102.40                
         QD1    69 TYRF HA      240.06                
         QD1    69 TYRF HB2     288.80                
         QD1    69 TYRF HQD1    419.95                
         QD1   109 HEMC HGM     204.51                
         QD1   109 HEMC HA72    100.91                
 14 ALA  
         HA     14 ALA  QB     2087.00                
         QB     19 ASN  HB2     218.50                
 15 GLY  
         HN     15 GLY  HA1     257.15                
         HN     15 GLY  HA2     166.85                
         HN     19 ASN  HA       68.15                
         HA2    20 LEU  HN       37.60                
 17 GLU- 
         HA     17 GLU- HB3     781.25                
         HA     17 GLU- HG2      41.54                
         HA     17 GLU- HG3     114.27                
         HA     18 LYS+ HN      103.10                
         HB3    17 GLU- HG2      48.47                
         HB3    18 LYS+ HN        4.12                
 18 LYS+ 
         HN     18 LYS+ HA      178.90                
         HN     18 LYS+ HB2      74.95                
         HN     18 LYS+ HB3      98.22                
         HA     18 LYS+ HB2     819.90                
         HA     18 LYS+ HB3     634.99                
         HA     18 LYS+ HD3      35.98                
         HA     19 ASN  HN       24.85                
 19 ASN  
         HN     19 ASN  HA      163.85                
         HA     19 ASN  HB2     288.37                
         HA     20 LEU  HN     1219.50                
         HA     20 LEU  QD2      29.66                
         HB2    19 ASN  HB3    3092.96                
         HB2    19 ASN  HD21    313.95                
         HB2    19 ASN  HD22     13.12                
         HB2    20 LEU  HN        9.82                
         HB3    19 ASN  HD21    179.65                
         HB3    19 ASN  HD22    164.60                
         HD21   19 ASN  HD22   1070.00                
         HD22   21 THR  QG2     193.95                
 20 LEU  
         HN     20 LEU  HA       82.34                
         HN     20 LEU  HB2     382.80                
         HN     20 LEU  HB3     171.45                
         HN     20 LEU  HG      570.10                
         HN     20 LEU  QD1     103.50                
         HN     20 LEU  QD2     111.95                
         HN    109 HEMC HB73     20.46                
         HA     20 LEU  HB2     336.73                
         HA     20 LEU  HB3     599.95                
         HA     20 LEU  QD1     179.03                
         HA     20 LEU  QD2    1550.03                
         HA     21 THR  HN      170.98                
         HB2    20 LEU  HB3    1919.00                
         HB2    20 LEU  QD1     858.10                
         HB3    20 LEU  HG      388.26                
         HB3    20 LEU  QD1     739.29                
         HB3    20 LEU  QD2     677.29                
         HB3    21 THR  HN        6.87                
         HB3    22 VAL  QG2     147.27                
         HB3   109 HEMC HB73      5.25                
         HB3   110 HISH HD1     307.15                
         HG     20 LEU  QD1    1357.50                
         HG     20 LEU  QD2    1172.96                
         QD1    20 LEU  QD2    1496.00                
         QD1    22 VAL  QG2      49.75                
         QD1   109 HEMC HB73    289.39                
         QD1   109 HEMC HDM      11.72                
         QD1   110 HISH HA        1.27                
         QD1   110 HISH HB2      51.65                
         QD1   110 HISH HD1     245.20                
         QD1   110 HISH HD2       3.62                
         QD1   110 HISH HE1     381.47                
         QD2    21 THR  HN       70.24                
         QD2   110 HISH HA        6.83                
         QD2   110 HISH HD1     205.55                
         QD2   110 HISH HE1      36.20                
 21 THR  
         HN     21 THR  HA       40.71                
         HA     21 THR  QG2     840.57                
         HA     22 VAL  QG2      35.09                
         HB     21 THR  QG2    1396.00                
         HB     22 VAL  HN       67.90                
         QG2    22 VAL  HN      286.80                
 22 VAL  
         HN     22 VAL  HB      430.05                
         HN     22 VAL  QG2     276.80                
         HN    109 HEMC QM5      12.37                
         HA     22 VAL  HB      137.10                
         HA     22 VAL  QG1     924.20                
         HA     22 VAL  QG2    1090.40                
         HB     22 VAL  QG1     552.05                
         HB     22 VAL  QG2    1060.00                
         HB    109 HEMC HBM      11.20                
         HB    109 HEMC QM5     664.60                
         QG1    22 VAL  QG2    1295.50                
         QG1    86 HEMC HDM     162.42                
         QG1   109 HEMC HT4A    126.23                
         QG1   109 HEMC HBM     221.72                
         QG1   110 HISH HN        1.94                
         QG2    23 VAL  HN      123.80                
         QG2    86 HEMC QM1      36.03                
         QG2   109 HEMC HA      176.22                
         QG2   109 HEMC HB2     127.45                
         QG2   109 HEMC HB3     275.65                
         QG2   109 HEMC HT4A      4.26                
         QG2   109 HEMC HBM     141.75                
         QG2   109 HEMC QM5     623.52                
         QG2   109 HEMC HA63     72.40                
         QG2   109 HEMC HB63     74.36                
         QG2   110 HISH HD1     383.45                
         QG2   110 HISH HE1     716.24                
 23 VAL  
         HN     23 VAL  HA      172.80                
         HN     23 VAL  HB     1012.00                
         HN     23 VAL  QG1     103.90                
         HA     23 VAL  HB      457.86                
         HA     23 VAL  QG1     700.25                
         HA     23 VAL  QG2     724.03                
         HB     23 VAL  QG1    1581.95                
         HB     23 VAL  QG2    1422.50                
         QG1    25 ASN  HD21     10.44                
         QG1    25 ASN  HD22    139.35                
 24 PHE  
         HN     24 PHE  HB2     175.15                
         HN     24 PHE  HB3     234.80                
         HA     24 PHE  HB2     508.30                
         HA     24 PHE  HB3     314.61                
         HA     24 PHE  HD2     243.90                
         HA     25 ASN  HN      576.35                
         HA     29 HISH HE1      12.22                
         HB2    24 PHE  HB3     978.28                
         HB2    24 PHE  HD2     185.36                
         HB2    86 HEMC QM1     241.25                
         HB3    24 PHE  HD2     346.42                
         HD1    86 HEMC HDM      27.55                
         HD2    86 HEMC QM1     202.78                
         HZ     37 HEMC HT4A      6.20                
 25 ASN  
         HN     25 ASN  HD21     14.61                
         HA     25 ASN  HB3     235.90                
         HA     25 ASN  HD21      8.11                
         HA     26 HISH HN      492.45                
         HB2    28 THR  HN       42.18                
         HB3    27 SER  HN       57.75                
         HB3    28 THR  HN       88.15                
         HD21   25 ASN  HD22   2823.00                
 26 HISH 
         HN     26 HISH HB2     433.10                
         HN     26 HISH HD1     303.40                
         HA     26 HISH HD1      44.50                
         HA     27 SER  HN       28.39                
         HA     28 THR  HN       17.88                
         HA     29 HISH HN       83.30                
         HA     29 HISH HD1     109.00                
         HB2    26 HISH HD1     167.90                
         HB3    26 HISH HD1      88.05                
         HB3    27 SER  HN      106.18                
         HD1    26 HISH HE1     320.85                
         HD2    37 HEMC HT2A     35.24                
         HD2    37 HEMC QT2      81.10                
         HE1    37 HEMC HGM       7.37                
 27 SER  
         HN     27 SER  HA      304.25                
         HN     27 SER  HB2     112.15                
         HN     27 SER  HB3     170.75                
         HN     28 THR  HN      260.90                
         HN     29 HISH HN       52.38                
         HA     28 THR  HN       45.95                
         HA     29 HISH HN        9.26                
         HA     30 LYS+ HN        9.50                
         HA     30 LYS+ HD2      17.92                
 28 THR  
         HN     28 THR  HA      376.15                
         HN     28 THR  HB      687.25                
         HN     28 THR  QG2      76.00                
         HN     29 HISH HN     1333.00                
         HN     29 HISH HD1      62.10                
         HN     30 LYS+ HN       15.63                
         HA     28 THR  HB      355.00                
         HA     28 THR  QG2     596.90                
         HA     29 HISH HN       98.40                
         HA     30 LYS+ HN       12.57                
         HB     28 THR  QG2     931.90                
         HB     29 HISH HN      298.80                
         HB     29 HISH HD1     443.10                
         HB     29 HISH HE1     103.29                
         QG2    29 HISH HN       50.55                
         QG2    29 HISH HD1      92.50                
         QG2    29 HISH HE1      90.85                
         QG2    86 HEMC QM5      11.23                
         QG2    86 HEMC HA62    151.22                
         QG2    86 HEMC HA63    370.76                
         QG2    86 HEMC HB62    116.49                
         QG2    86 HEMC HB63    102.10                
         QG2    86 HEMC HGM     530.15                
         QG2    86 HEMC HA73    146.35                
         QG2    86 HEMC HB72    677.40                
         QG2    86 HEMC HB73    534.75                
 29 HISH 
         HN     29 HISH HA      343.45                
         HN     29 HISH HB2     532.25                
         HN     29 HISH HB3     151.55                
         HN     29 HISH HD1     371.70                
         HN     30 LYS+ HN      696.70                
         HA     29 HISH HB2     413.77                
         HA     29 HISH HB3     722.33                
         HA     29 HISH HD2     182.28                
         HA     30 LYS+ HN      294.20                
         HA     31 ASP- HN      101.60                
         HA     32 VAL  HN       17.87                
         HA     32 VAL  HB      125.04                
         HB2    29 HISH HB3    1645.79                
         HB2    29 HISH HD1     341.50                
         HB3    29 HISH HD2     264.05                
         HB3    32 VAL  HN        1.22                
         HB3    37 HEMC QT4     241.46                
         HB3    37 HEMC QM3     232.13                
         HD1    29 HISH HD2      31.50                
         HD1    29 HISH HE1     698.45                
         HD2    32 VAL  HB       50.61                
         HD2    86 HEMC HT4A     15.92                
         HD2    86 HEMC HBM     105.35                
         HE1    86 HEMC HDM      16.56                
 30 LYS+ 
         HN     30 LYS+ HA      707.95                
         HN     30 LYS+ HB3     238.85                
         HN     30 LYS+ HG2     662.00                
         HN     30 LYS+ HD2     107.90                
         HN     30 LYS+ HD3      76.00                
         HN     31 ASP- HN      350.20                
         HA     30 LYS+ HG2    1127.00                
         HA     30 LYS+ HG3      22.25                
         HA     30 LYS+ HD2      43.95                
         HA     32 VAL  HN       47.65                
         HD3    31 ASP- HN      126.95                
         HD3    31 ASP- HA        6.40                
 31 ASP- 
         HN     31 ASP- HB3     882.90                
         HN     32 VAL  HN     1013.50                
         HA     31 ASP- HB2    1064.00                
         HA     32 VAL  HN      259.35                
         HA     32 VAL  QG2      26.42                
         HB2    31 ASP- HB3    3349.50                
 32 VAL  
         HN     32 VAL  HA      359.65                
         HN     32 VAL  QG1     121.20                
         HN     33 LYS+ HN       41.50                
         HN     37 HEMC QM3      77.20                
         HA     32 VAL  HB      329.10                
         HA     32 VAL  QG1     849.10                
         HA     32 VAL  QG2     864.21                
         HB     32 VAL  QG1     577.19                
         HB     32 VAL  QG2    1289.50                
         HB     37 HEMC QM3    1045.71                
         QG1    33 LYS+ HN      533.75                
         QG1    34 CYSH HA       11.64                
         QG1    36 ASP- HB2     356.50                
         QG1    37 HEMC QT4     442.32                
         QG1    86 HEMC HT4A     21.31                
         QG2    33 LYS+ HN       89.00                
         QG2    86 HEMC HT4A    490.70                
         QG2    86 HEMC QT4     678.10                
         QG2    86 HEMC HBM     270.10                
         QG2    86 HEMC QM5     109.52                
 33 LYS+ 
         HN     33 LYS+ HG3     423.20                
         HN     33 LYS+ HD3     237.37                
         HN     36 ASP- HN        1.16                
         HN     36 ASP- HB2      60.53                
         HN     36 ASP- HB3      93.50                
         HA     33 LYS+ HB3     388.64                
         HA     33 LYS+ HG3     351.28                
         HA     33 LYS+ HD3     479.14                
         HA     34 CYSH HA       50.60                
         HA     35 ASP- HN       28.20                
         HB3    33 LYS+ HE3      21.24                
         HB3    36 ASP- HN       64.63                
         HG3    35 ASP- HN       46.58                
         HD3    34 CYSH HN       85.93                
 34 CYSH 
         HN     34 CYSH HA      534.60                
         HN     34 CYSH HB2     349.95                
         HN     35 ASP- HN      382.30                
         HN     36 ASP- HN        3.38                
         HN     37 HEMC HT2A    183.75                
         HN     37 HEMC HAM      95.30                
         HA     34 CYSH HB2     447.69                
         HA     34 CYSH HB3     692.47                
         HA     35 ASP- HN       71.10                
         HA     37 HEMC HB2      13.54                
         HA     37 HEMC QM3     605.20                
         HA     37 HEMC HT2A    655.49                
         HA     37 HEMC QT2     108.35                
         HA     37 HEMC HAM    1077.19                
         HA     38 HISH HD2     152.25                
         HA     46 TYRF HQE1     36.50                
         HB2    34 CYSH HB3    2452.35                
         HB2    35 ASP- HN      431.55                
         HB2    37 HEMC HAM      53.14                
         HB2    38 HISH HD2      73.05                
         HB2    46 TYRF HQE1    356.37                
         HB3    37 HEMC HT2A    159.35                
         HB3    37 HEMC HAM      91.20                
         HB3    38 HISH HD2     384.34                
         HB3    46 TYRF HQD1      0.28                
         HB3    46 TYRF HQE1    712.95                
 35 ASP- 
         HN     35 ASP- HA      333.25                
         HN     35 ASP- HB2      86.75                
         HN     35 ASP- HB3     546.05                
         HN     36 ASP- HN      543.20                
         HN     37 HEMC HN       26.12                
         HA     35 ASP- HB2     850.55                
         HA     35 ASP- HB3    1041.01                
         HA     36 ASP- HN       97.90                
         HA     37 HEMC HN      316.05                
         HA     38 HISH HN      263.05                
         HA     38 HISH HA       70.07                
         HA     38 HISH HB2     238.59                
         HA     38 HISH HB3      72.81                
         HA     45 GLN  HE22    110.28                
         HB2    36 ASP- HN       41.79                
         HB2    39 HISH HA       53.14                
         HB3    39 HISH HA        2.97                
         HB3    45 GLN  HE22    128.10                
 36 ASP- 
         HN     36 ASP- HA      241.15                
         HN     36 ASP- HB2     560.55                
         HN     37 HEMC HN     1037.50                
         HN     38 HISH HN       89.15                
         HA     36 ASP- HB3     301.95                
         HA     37 HEMC HN      157.75                
         HB2    36 ASP- HB3    2532.96                
         HB2    37 HEMC HN      155.85                
         HB3    37 HEMC HN      355.45                
 37 HEMC 
         HN     37 HEMC HA      418.45                
         HN     37 HEMC HB2     510.85                
         HN     38 HISH HN     1045.00                
         HN     38 HISH HB2       0.99                
         HA     37 HEMC HB2     184.22                
         HA     37 HEMC HB3     163.17                
         HA     38 HISH HN      111.35                
         HA     80 LYS+ HE2     184.66                
         HA     80 LYS+ HE3     135.48                
         HB2    37 HEMC HT4A    112.10                
         HB2    37 HEMC HBM      60.77                
         HB2    38 HISH HN      432.75                
         HB2    54 HEMC QT2     173.35                
         HB3    37 HEMC HT4A    208.40                
         HB3    37 HEMC HBM      95.12                
         HB3    38 HISH HN       98.95                
         HB3    54 HEMC QT2     318.88                
         HT4A   54 HEMC QT2      14.11                
         HT4A   86 HEMC QT2      61.40                
         QT4    86 HEMC QM3     495.65                
         QT4    86 HEMC HT2A    126.25                
         QT4    86 HEMC HAM     154.52                
         QM3    38 HISH HD2      24.20                
         HBM    54 HEMC QT2     111.25                
         HBM    86 HEMC QT2     154.25                
         QM5    37 HEMC HA63      6.18                
         QM5    54 HEMC QT2     327.05                
         QM5    68 TRP  HZ3      15.25                
         QM5    68 TRP  HH2     182.95                
         HA63   37 HEMC HGM     260.52                
         HGM    37 HEMC HA72    475.97                
         HGM    37 HEMC HA73    515.50                
         HGM    37 HEMC HB72    160.75                
         HGM    37 HEMC HB73     33.61                
         QM8    46 TYRF HQD1    124.71                
         HDM    46 TYRF HQD1    195.35                
         QM1    46 TYRF HQD1     94.63                
         QM1    46 TYRF HQE1    426.80                
         HAM    38 HISH HD2       5.12                
 38 HISH 
         HN     38 HISH HA       83.49                
         HN     38 HISH HB2     594.15                
         HN     54 HEMC QT2      10.35                
         HA     38 HISH HB2     320.85                
         HA     38 HISH HB3     434.70                
         HA     38 HISH HD1     216.30                
         HA     39 HISH HD2      46.36                
         HA     54 HEMC QT2     229.51                
         HB2    38 HISH HD1      77.10                
         HB2    45 GLN  HE22      6.36                
         HB2    46 TYRF HQD1     35.21                
         HB2    46 TYRF HQE1    136.83                
         HB3    45 GLN  HG3     118.87                
         HD1    38 HISH HE1     402.55                
         HD1    46 TYRF HA      220.10                
         HD1    54 HEMC QT2     183.70                
         HD2    46 TYRF HQD1    135.97                
         HD2    46 TYRF HQE1    463.27                
         HE1    46 TYRF HQD1     16.34                
         HE1    54 HEMC QT2     145.10                
 39 HISH 
         HA     39 HISH HB2     849.25                
         HA     39 HISH HB3     784.55                
         HA     45 GLN  HE22      8.32                
         HB2    39 HISH HB3    1817.00                
         HB3    80 LYS+ HD2     147.76                
         HD2    54 HEMC HT2A     25.67                
         HD2    54 HEMC QT2       4.13                
         HD2    54 HEMC HAM      11.34                
         HE1    40 GLN  HG2      11.42                
         HE1    54 HEMC HGM      97.12                
 40 GLN  
         HN     40 GLN  HA      223.60                
         HN     40 GLN  HB3     189.85                
         HN     40 GLN  HG2      97.40                
         HN     40 GLN  HG3      67.85                
         HA     40 GLN  HB2     318.66                
         HA     40 GLN  HG2     200.94                
         HA     40 GLN  HG3     187.25                
         HA     41 FPR  HD3     458.98                
         HB2    40 GLN  HB3    1561.50                
         HB2    40 GLN  HG2     367.19                
         HB3    40 GLN  HG2     281.17                
         HB3    54 HEMC QT4     112.28                
         HG2    40 GLN  HG3    2151.08                
         HG2    40 GLN  HE21     50.80                
         HG2    40 GLN  HE22      3.64                
         HG2    54 HEMC QT4     280.52                
         HG3    40 GLN  HE21     22.25                
         HG3    54 HEMC HT4A     30.55                
         HE21   40 GLN  HE22   2998.50                
         HE21   54 HEMC QM5     200.15                
 41 FPR  
         HD3    41 FPR  HB3     228.15                
         HG3    54 HEMC QM3      58.03                
         HA     42 GLY  HN     1238.50                
         HB2    42 GLY  HN      130.20                
 42 GLY  
         HN     42 GLY  HA2     342.75                
 44 LYS+ 
         HN     44 LYS+ HA       49.20                
         HA     44 LYS+ HB3     692.40                
         HA     44 LYS+ HG2     148.63                
         HA     44 LYS+ HG3     199.70                
         HA     44 LYS+ HD3     116.03                
         HB2    44 LYS+ HB3    2499.89                
         HB3    44 LYS+ HG2     303.83                
         HB3    44 LYS+ HG3     790.58                
         HB3    44 LYS+ HD3     239.67                
 45 GLN  
         HN     45 GLN  HB2     452.45                
         HN     45 GLN  HB3     359.55                
         HN     45 GLN  HG2       6.53                
         HN     45 GLN  HG3      34.05                
         HN     46 TYRF HQD2      4.31                
         HA     45 GLN  HB3       8.50                
         HA     45 GLN  HG3     270.30                
         HB2    46 TYRF HQD2     55.14                
         HB3    45 GLN  HG3     102.70                
         HB3    46 TYRF HN      298.85                
         HB3    46 TYRF HE2       4.99                
         HB3    46 TYRF HQD2    273.70                
         HG2    45 GLN  HG3    1582.49                
         HG2    45 GLN  HE22    145.85                
         HG3    45 GLN  HE22    221.23                
         HG3    46 TYRF HN       21.03                
         HG3    46 TYRF HQD2     53.41                
         HG3    46 TYRF HQE2     26.58                
         HE22   46 TYRF HE2       8.09                
 46 TYRF 
         HN     46 TYRF HB2     179.60                
         HN     46 TYRF HQD2    377.95                
         HA     46 TYRF HB2      68.55                
         HA     46 TYRF HD2     301.67                
         HB2    46 TYRF HB3    1852.92                
         HB2    46 TYRF HD2     482.00                
         HB2    46 TYRF HE2      35.36                
         HB2    47 ALA  HN        8.48                
         HB3    46 TYRF HD2     536.00                
         HD2    46 TYRF HE2     550.00                
 47 ALA  
         QB     48 GLY  HN      475.85                
         QB     54 HEMC QM3     908.57                
 48 GLY  
         HN     51 THR  QG2      21.13                
         HA1    49 CYSH HN      495.35                
         HA2    49 CYSH HN      350.35                
 49 CYSH 
         HN     49 CYSH HA      234.00                
         HN     49 CYSH HB2     343.90                
         HN     49 CYSH HB3      81.70                
         HN     50 THR  HN      393.25                
         HN     51 THR  HN       10.62                
         HN     54 HEMC QM3       6.60                
         HN     54 HEMC HT2A     27.19                
         HA     50 THR  QG2      16.73                
         HA     54 HEMC QM3     377.65                
         HA     54 HEMC HT2A    541.66                
         HA     54 HEMC HAM     625.35                
         HA     55 HISH HD2     192.00                
         HA     68 TRP  HZ3      37.64                
         HB2    49 CYSH HB3    1476.39                
         HB2    50 THR  HN      136.65                
         HB2    50 THR  QG2     175.60                
         HB2    54 HEMC HT2A     47.12                
         HB2    55 HISH HD2      57.51                
         HB2    68 TRP  HE3      10.25                
         HB2    68 TRP  HZ3     342.36                
         HB2    68 TRP  HH2      20.76                
         HB3    50 THR  HN       59.05                
         HB3    50 THR  QG2      84.36                
         HB3    54 HEMC HT2A     60.98                
         HB3    54 HEMC HAM      64.00                
         HB3    55 HISH HD2     345.82                
         HB3    68 TRP  HE3      52.54                
 50 THR  
         HN     50 THR  HA      125.90                
         HN     50 THR  HB        6.45                
         HN     50 THR  QG2     440.80                
         HN     51 THR  HN      177.25                
         HA     50 THR  HB      473.44                
         HA     50 THR  QG2     796.96                
         HA     55 HISH HN      225.40                
         HB     50 THR  QG2    1245.05                
         HB     56 ASN  HA      466.29                
         HB     58 LEU  QD2      74.89                
         QG2    55 HISH HB2      42.65                
         QG2    55 HISH HD2      27.16                
         QG2    56 ASN  HA      122.23                
         QG2    58 LEU  QD1      10.21                
         QG2    58 LEU  QD2     425.56                
         QG2    68 TRP  HA       75.48                
         QG2    68 TRP  HB3     258.02                
         QG2    68 TRP  HD1      84.85                
         QG2    68 TRP  HE3     171.05                
         QG2    68 TRP  HE1       4.63                
         QG2    68 TRP  HZ3      24.68                
 51 THR  
         HN     51 THR  HA      393.25                
         HN     51 THR  HB      609.85                
         HN     51 THR  QG2     235.80                
         HN     54 HEMC HB2      71.35                
         HN     55 HISH HN      128.50                
         HN     56 ASN  HD21     29.24                
         HA     51 THR  QG2     983.12                
         HA     52 ASP- HN     1273.80                
         HA     52 ASP- HB3      44.55                
         HB     51 THR  QG2    1014.44                
         HB     52 ASP- HN      181.10                
         QG2    52 ASP- HB3     118.97                
         QG2    54 HEMC HB2     124.59                
         QG2    54 HEMC QM3     303.68                
 52 ASP- 
         HN     52 ASP- HA      184.40                
         HN     52 ASP- HB3     589.28                
         HA     52 ASP- HB3     577.74                
         HA     53 GLY  HN      845.10                
         HA     56 ASN  HB2     348.39                
         HA     56 ASN  HB3     313.79                
         HB3    53 GLY  HN       72.10                
 53 GLY  
         HN     53 GLY  HA1       6.15                
         HN     54 HEMC HN      290.55                
         HN     56 ASN  HD22     27.33                
         HA1    53 GLY  HA2    2073.18                
         HA1    54 HEMC HN      150.40                
 54 HEMC 
         HN     54 HEMC HB2     391.20                
         HN     54 HEMC HB3      10.62                
         HN     55 HISH HN       92.05                
         HN     56 ASN  HN       72.05                
         HN     56 ASN  HB3     278.20                
         HA     54 HEMC HB3     252.60                
         HA     54 HEMC HT4A    477.66                
         HA     54 HEMC HBM     750.95                
         HA     54 HEMC QM5       1.20                
         HA     66 ASN  HD22      0.58                
         HB2    54 HEMC HB3    2210.59                
         HB2    54 HEMC QM3      20.79                
         HB3    54 HEMC QM3      70.41                
         HB3    54 HEMC HBM      42.35                
         QM5    54 HEMC HA62    615.94                
         QM5    54 HEMC HA63    204.73                
         QM5    65 VAL  QG2     125.04                
         QM5    66 ASN  HD21     60.30                
         QM5    66 ASN  HD22      1.07                
         HA62   54 HEMC HA63   2436.00                
         HA62   54 HEMC HB63    118.05                
         HA62   54 HEMC HGM     568.45                
         HA62   65 VAL  QG1     132.13                
         HA62   65 VAL  QG2     160.26                
         HA63   54 HEMC HB63    368.76                
         HA63   65 VAL  QG1       8.24                
         HB62   79 ALA  QB      789.20                
         HB63   54 HEMC HGM     158.04                
         HB63   79 ALA  QB       32.15                
         HGM    54 HEMC HA73    475.17                
         HGM    54 HEMC HB73    231.62                
         HGM    55 HISH HE1      74.56                
         HGM    65 VAL  QG1      26.88                
         HGM    65 VAL  QG2     173.78                
         HGM    79 ALA  QB       86.68                
         HA72   54 HEMC HA73   1264.50                
         HA72   54 HEMC HB73    481.90                
         HA72   79 ALA  QB       26.15                
         HA72   80 LYS+ HN      115.85                
         HA72   80 LYS+ HG3       5.32                
         HA73   54 HEMC HB72    712.50                
         HA73   54 HEMC QM8      71.70                
         HA73   80 LYS+ HN      157.30                
         HA73   80 LYS+ HG2      18.43                
         HA73   80 LYS+ HG3     240.70                
         HB72   54 HEMC HB73   3079.50                
         HB72   71 VAL  QG1     386.45                
         HB73   65 VAL  QG2     348.42                
         HB73   71 VAL  QG1     348.30                
         HB73   71 VAL  QG2      38.65                
         QM8    71 VAL  HA      286.91                
         QM8    71 VAL  HB      681.78                
         QM8    71 VAL  QG1     259.40                
         QM8    71 VAL  QG2      83.55                
         QM8    80 LYS+ HG2     121.70                
         QM8    80 LYS+ HG3     171.95                
         QM8    80 LYS+ HD3      13.20                
         QM8    80 LYS+ HE3     224.64                
         QM8    82 THR  HA      430.55                
         QM8    82 THR  QG2     838.13                
         HDM    71 VAL  HB      534.28                
         HDM    71 VAL  QG1      90.74                
         HDM    71 VAL  QG2     154.58                
         HDM    80 LYS+ HE3      14.45                
         HDM    82 THR  QG2      25.40                
         HDM    86 HEMC QT2       9.04                
         QM1    68 TRP  HE3      12.68                
         QM1    68 TRP  HZ3     646.70                
         QM1    68 TRP  HH2     173.78                
         QM1    71 VAL  QG2     188.66                
         QM1    72 VAL  QG2       7.85                
         QM1    86 HEMC QT2      34.58                
         HAM    55 HISH HD2       8.76                
 55 HISH 
         HN     55 HISH HA      100.80                
         HN     56 ASN  HN      181.45                
         HA     55 HISH HB2     332.35                
         HA     55 HISH HB3     171.13                
         HA     55 HISH HD1     330.35                
         HA     57 ILE  HN       39.95                
         HB2    68 TRP  HE3     259.75                
         HB2    68 TRP  HZ3       9.40                
         HB2    71 VAL  QG2      70.88                
         HB3    68 TRP  HN       57.35                
         HB3    68 TRP  HA       96.74                
         HB3    68 TRP  HE3     132.13                
         HB3    71 VAL  QG2     171.29                
         HD1    55 HISH HE1     993.00                
         HD1    66 ASN  HA      838.45                
         HD1    71 VAL  QG1     454.70                
         HD1    71 VAL  QG2     112.90                
         HD2    68 TRP  HZ3      10.25                
         HD2    71 VAL  QG2      44.25                
         HE1    65 VAL  HA       37.08                
         HE1    71 VAL  QG1     562.49                
         HE1    71 VAL  QG2      29.70                
 56 ASN  
         HN     56 ASN  HB2     121.00                
         HN     57 ILE  HG12    132.55                
         HB2    56 ASN  HB3    2609.24                
         HB2    56 ASN  HD21    456.80                
         HB2    56 ASN  HD22    160.65                
         HB3    56 ASN  HD21    244.80                
         HB3    56 ASN  HD22     25.48                
         HD21   56 ASN  HD22   2190.50                
 57 ILE  
         HN     57 ILE  HB      625.30                
         HN     57 ILE  QD1      60.30                
         HN     68 TRP  HN       32.25                
         HA     57 ILE  QD1     405.66                
         HA     58 LEU  HN      919.10                
         HB     57 ILE  QD1     284.90                
         HB     68 TRP  HN       21.45                
         QG2    58 LEU  HN      341.40                
         QG2    59 ASP- HB3     128.34                
         QG2    62 ASP- HN       40.60                
         QG2    62 ASP- HA       31.42                
         QG2    62 ASP- HB3     496.92                
         QG2    67 SER  HA      220.95                
         HG12   57 ILE  QD1     998.20                
         HG12   66 ASN  HB3     340.45                
         HG13   66 ASN  HB3     259.80                
         QD1    66 ASN  HB2     328.00                
         QD1    66 ASN  HB3     302.22                
         QD1    67 SER  HA      119.47                
 58 LEU  
         HN     58 LEU  HB3      33.50                
         HN     58 LEU  HG      336.10                
         HN     58 LEU  QD1      49.10                
         HN     58 LEU  QD2     117.85                
         HA     58 LEU  HG      167.40                
         HA     58 LEU  QD1       8.99                
         HA     58 LEU  QD2     946.25                
         HA     59 ASP- HN      322.80                
         HG     58 LEU  QD2    1665.81                
         QD1    58 LEU  QD2    1162.14                
         QD2    68 TRP  HB2      45.05                
         QD2    68 TRP  HD1     239.24                
 59 ASP- 
         HN     59 ASP- HA      117.41                
         HN     59 ASP- HB3     351.95                
         HA     59 ASP- HB2     478.80                
         HA     59 ASP- HB3     404.79                
         HA     60 LYS+ HN      228.25                
 60 LYS+ 
         HN     60 LYS+ HA      188.35                
         HN     61 ALA  QB       15.25                
         HA     60 LYS+ HG3     725.06                
         HA     69 TYRF HB2     291.50                
         HA     69 TYRF HB3     409.20                
         HA     69 TYRF HD2     108.61                
         HB2    61 ALA  HN       72.25                
         HB3    69 TYRF HD2      21.61                
         HD3    61 ALA  HN       25.65                
 61 ALA  
         HN     61 ALA  HA      315.15                
         HN     62 ASP- HN      373.80                
         HA     61 ALA  QB     2274.00                
         HA     62 ASP- HN      169.20                
         QB     62 ASP- HN      181.15                
 62 ASP- 
         HN     62 ASP- HA      271.65                
         HN     62 ASP- HB2     584.50                
         HN     62 ASP- HB3     723.40                
         HA     62 ASP- HB2     421.90                
         HB2    62 ASP- HB3    2052.00                
         HB2    64 SER  HN       30.93                
         HB2    67 SER  HB3     158.69                
 63 LYS+ 
         HA     63 LYS+ HB3     362.53                
         HA     63 LYS+ HG3    1265.87                
         HA     63 LYS+ HD3     373.73                
         HA     64 SER  HN      220.50                
         HA     70 LYS+ HG3       4.24                
         HB3    63 LYS+ HD3     968.62                
         HB3    63 LYS+ HE3      60.88                
         HG3    63 LYS+ HD3     316.76                
         HG3    63 LYS+ HE3      87.25                
         HE3    67 SER  HG        2.05                
 64 SER  
         HN     64 SER  HA      155.00                
         HN     64 SER  HB3      74.20                
         HN     67 SER  HB2      16.14                
         HA     64 SER  HB2     643.65                
         HA     65 VAL  HA        7.04                
         HA     65 VAL  QG1      49.05                
         HB2    65 VAL  HN      276.35                
 65 VAL  
         HN     65 VAL  HB      628.00                
         HN     65 VAL  QG1     569.15                
         HN     65 VAL  QG2     273.85                
         HA     65 VAL  HB     1038.25                
         HA     65 VAL  QG1     444.23                
         HA     65 VAL  QG2     473.85                
         HA     66 ASN  HN      134.75                
         HA     70 LYS+ HD3      40.81                
         HA     70 LYS+ HE3     106.40                
         HA     71 VAL  QG1     120.12                
         HB     65 VAL  QG2     880.11                
         HB     70 LYS+ HE3      88.81                
         HB     71 VAL  QG1      45.94                
         QG1    66 ASN  HD22     16.85                
         QG2    71 VAL  QG1     131.86                
 66 ASN  
         HN     66 ASN  HD21     35.61                
         HN     66 ASN  HD22     53.55                
         HA     66 ASN  HB2     236.35                
         HA     66 ASN  HB3     650.19                
         HA     66 ASN  HD22     26.00                
         HA     71 VAL  QG1       1.08                
         HB2    66 ASN  HB3    1631.72                
         HB2    66 ASN  HD21     76.90                
         HB3    66 ASN  HD21    451.05                
         HB3    66 ASN  HD22    159.85                
         HD21   66 ASN  HD22   4318.50                
 67 SER  
         HA     68 TRP  HN      665.25                
         HB2    70 LYS+ HB2     130.60                
         HB2    70 LYS+ HB3     150.25                
         HB3    70 LYS+ HD3      16.10                
 68 TRP  
         HN     68 TRP  HA      209.55                
         HN     69 TYRF HN      240.15                
         HA     68 TRP  HB2     878.38                
         HA     68 TRP  HB3     404.09                
         HA     68 TRP  HE3    1040.87                
         HA     68 TRP  HZ3      64.18                
         HA     71 VAL  HN        7.21                
         HA     71 VAL  QG1      55.74                
         HA     71 VAL  QG2     864.91                
         HB2    68 TRP  HD1      37.20                
         HB2    68 TRP  HE3     139.10                
         HB2    69 TYRF HN       34.67                
         HB2    71 VAL  QG2      13.37                
         HB3    68 TRP  HE3      15.31                
         HB3    69 TYRF HN      123.65                
         HB3    71 VAL  QG2      14.03                
         HD1    68 TRP  HE1     661.20                
         HE3    68 TRP  HZ3     827.10                
         HE3    68 TRP  HH2      17.16                
         HE3    71 VAL  HB       16.49                
         HE3    71 VAL  QG2     713.10                
         HE3    72 VAL  QG2      36.72                
         HE1    68 TRP  HZ2     311.25                
         HE1   109 HEMC QM5      32.89                
         HE1   109 HEMC HA62    995.00                
         HZ3    68 TRP  HZ2      43.34                
         HZ3    68 TRP  HH2     788.70                
         HZ3    71 VAL  QG2     210.65                
         HZ3    72 VAL  QG2      73.54                
         HZ2    68 TRP  HH2     775.15                
         HZ2    72 VAL  QG2      49.35                
         HZ2    86 HEMC QT2      16.15                
         HZ2   109 HEMC QM5     230.48                
         HZ2   109 HEMC HA62    152.85                
         HH2    72 VAL  QG2     114.70                
         HH2    86 HEMC QT2      90.25                
 69 TYRF 
         HN     69 TYRF HA      112.05                
         HN     69 TYRF HB2      51.30                
         HN     69 TYRF HB3     361.55                
         HN     69 TYRF HD2      26.67                
         HA     69 TYRF HD2     274.15                
         HA     72 VAL  HN       39.97                
         HA     72 VAL  HB      157.80                
         HA     72 VAL  QG2     122.66                
         HA     73 HISH HN       50.90                
         HA     73 HISH HD1     438.00                
         HA     73 HISH HE1      63.31                
         HB2    69 TYRF HD2     288.95                
         HB2    70 LYS+ HN       13.02                
         HB3    69 TYRF HD2     369.95                
         HB3    73 HISH HD1      13.30                
         HD2    69 TYRF HE2     115.35                
         HD2    73 HISH HB2       4.91                
         HD2    73 HISH HD1      76.97                
         HQD1   73 HISH HE1     214.14                
         HQD1  109 HEMC HA72    272.68                
         HQD1  109 HEMC HA73     66.50                
         HQD1  109 HEMC QM8      22.61                
         HQD2   70 LYS+ HN       83.60                
         HQD2   70 LYS+ HA      234.05                
 70 LYS+ 
         HN     70 LYS+ HA      310.60                
         HN     70 LYS+ HB2     519.20                
         HN     70 LYS+ HD3      64.00                
         HN     71 VAL  QG1      28.76                
         HN     71 VAL  QG2      18.73                
         HA     70 LYS+ HB2     458.46                
         HA     70 LYS+ HB3      90.20                
         HA     70 LYS+ HG3     277.65                
         HA     70 LYS+ HD3     369.51                
         HA     71 VAL  HN      135.05                
         HA     72 VAL  HN      137.35                
         HA     73 HISH HN      112.60                
         HA     73 HISH HB2      69.86                
         HB2    71 VAL  HN      146.80                
         HB3    71 VAL  HN      301.25                
         HB3    71 VAL  QG1     152.41                
         HG3    70 LYS+ HE3      33.19                
         HG3    74 ASP- HB2     117.97                
         HD3    70 LYS+ HE3     216.17                
         HD3    71 VAL  HN       26.87                
         HD3    71 VAL  QG1      51.67                
         HD3    74 ASP- HB2     128.85                
         HE3    71 VAL  QG1      29.90                
 71 VAL  
         HN     71 VAL  HA      397.50                
         HN     71 VAL  HB       60.80                
         HN     71 VAL  QG1     707.70                
         HN     71 VAL  QG2     911.05                
         HN     72 VAL  HN      480.50                
         HN     72 VAL  QG2      13.52                
         HA     71 VAL  HB      930.84                
         HA     71 VAL  QG1     942.81                
         HA     71 VAL  QG2     299.62                
         HA     72 VAL  HN       73.45                
         HA     82 THR  QG2     347.88                
         HB     71 VAL  QG1     969.70                
         HB     71 VAL  QG2     927.85                
         HB     72 VAL  HN       41.80                
         QG1    71 VAL  QG2    1493.00                
         QG1    72 VAL  HN        4.50                
         QG1    82 THR  QG2     131.31                
         QG2    72 VAL  HN      313.85                
 72 VAL  
         HN     72 VAL  HA      234.25                
         HN     72 VAL  HB      988.00                
         HN     72 VAL  QG2     605.55                
         HN     73 HISH HN     1091.00                
         HN     73 HISH HD1     128.30                
         HN     74 ASP- HN       21.38                
         HA     72 VAL  HB      411.23                
         HA     72 VAL  QG1     596.25                
         HA     72 VAL  QG2     847.54                
         HA     73 HISH HN       93.20                
         HA     82 THR  HB      357.40                
         HA     83 CYSH HN      390.20                
         HB     72 VAL  QG1     845.87                
         HB     73 HISH HN      565.70                
         HB     73 HISH HD1     502.20                
         HB     73 HISH HE1      70.25                
         HB    109 HEMC QM5      34.82                
         QG1    72 VAL  QG2    1379.00                
         QG1    73 HISH HN      128.25                
         QG1    73 HISH HD1     163.05                
         QG1    73 HISH HD2      42.32                
         QG1    73 HISH HE1     310.55                
         QG1    83 CYSH HB3      57.68                
         QG1    84 ILE  HN        0.87                
         QG1    84 ILE  HG13     17.59                
         QG1    84 ILE  QD1      65.47                
         QG1    86 HEMC QM1      63.31                
         QG1   109 HEMC QT4      46.24                
         QG1   109 HEMC HBM     256.77                
         QG1   109 HEMC QM5     674.10                
         QG2    73 HISH HN      184.85                
         QG2    73 HISH HD1     122.45                
         QG2    73 HISH HE1      24.88                
         QG2    83 CYSH HB2      16.76                
         QG2    86 HEMC QT2     104.50                
         QG2   109 HEMC HBM       0.26                
         QG2   109 HEMC QM5     390.40                
 73 HISH 
         HN     73 HISH HA      339.90                
         HN     73 HISH HB2     639.10                
         HN     73 HISH HD1     650.00                
         HN     74 ASP- HN      570.55                
         HN     74 ASP- HB2       8.97                
         HA     73 HISH HB2     479.37                
         HA     73 HISH HB3     576.69                
         HA     73 HISH HD2     208.89                
         HA     74 ASP- HN      402.95                
         HB2    73 HISH HB3    2252.72                
         HB2    73 HISH HD1     342.50                
         HB2    73 HISH HD2     120.49                
         HB2    74 ASP- HN       83.70                
         HB3    73 HISH HD1     138.60                
         HB3    73 HISH HD2     392.89                
         HD1    73 HISH HD2       3.64                
         HD1    73 HISH HE1     642.35                
         HD2   109 HEMC QM3      23.26                
         HD2   109 HEMC HT2A     35.40                
         HD2   109 HEMC QT2     200.30                
         HD2   109 HEMC HAM      90.80                
         HE1   109 HEMC HGM      55.75                
 74 ASP- 
         HN     74 ASP- HB2     561.50                
         HN     75 ALA  HN       68.18                
         HN     82 THR  HB       40.45                
         HN     82 THR  QG2     237.80                
         HA     74 ASP- HB2    1228.57                
         HA     74 ASP- HB3     320.18                
         HA     75 ALA  HN     1350.50                
         HA     76 LYS+ HN       10.18                
         HB2    76 LYS+ HN       50.26                
         HB3    82 THR  QG2     125.05                
 75 ALA  
         HN     75 ALA  QB      910.45                
         HN     84 ILE  QG2       1.69                
         HA     75 ALA  QB     2774.86                
         HA     76 LYS+ HN      139.60                
         HA     84 ILE  HB      106.27                
         QB     76 LYS+ HN      131.42                
         QB     84 ILE  QG2     633.50                
         QB     85 SER  HA       41.47                
 76 LYS+ 
         HN     76 LYS+ HA      382.30                
         HN     76 LYS+ HB2     298.95                
         HN     76 LYS+ HB3     391.00                
         HN     77 GLY  HN       12.51                
         HA     76 LYS+ HB2     124.60                
         HA     76 LYS+ HB3     322.01                
         HA     77 GLY  HN      409.50                
 77 GLY  
         HN     77 GLY  HA2     229.45                
         HA2    78 GLY  HN      382.58                
         HA2    81 FPR  HA      106.42                
         HA2    82 THR  HN       21.00                
         HA2    82 THR  QG2      76.01                
 78 GLY  
         HN     78 GLY  HA1     136.67                
         HN     78 GLY  HA2      65.75                
         HN     80 LYS+ HN       48.15                
         HA1    78 GLY  HA2     475.61                
         HA1    79 ALA  HN       45.58                
         HA2    79 ALA  HN      135.41                
 79 ALA  
         HN     79 ALA  HA       55.41                
         HN     79 ALA  QB      358.65                
         HN     80 LYS+ HN      127.10                
         HA     79 ALA  QB     1865.00                
         HA     80 LYS+ HN       16.30                
         QB     80 LYS+ HN      288.15                
         QB     80 LYS+ HG2     144.85                
 80 LYS+ 
         HN     80 LYS+ HA      287.20                
         HN     80 LYS+ HB3      15.93                
         HN     80 LYS+ HG2     219.60                
         HN     80 LYS+ HG3     109.25                
         HA     80 LYS+ HB3     367.21                
         HA     80 LYS+ HG2      72.08                
         HA     80 LYS+ HG3      34.15                
         HA     80 LYS+ HD2       5.35                
         HB3    80 LYS+ HG2      24.40                
         HB3    80 LYS+ HG3      91.90                
         HB3    80 LYS+ HD2     155.73                
         HB3    80 LYS+ HD3     118.35                
         HB3    81 FPR  HD3     253.15                
         HG2    80 LYS+ HD2     180.38                
         HG2    80 LYS+ HD3     356.37                
         HG3    80 LYS+ HD2     425.89                
         HG3    80 LYS+ HD3     407.20                
         HG3    80 LYS+ HE2     144.35                
         HG3    80 LYS+ HE3     174.43                
         HD2    80 LYS+ HD3    1613.50                
         HD2    80 LYS+ HE2     316.44                
         HD2    80 LYS+ HE3     224.90                
         HD3    80 LYS+ HE2      84.19                
         HD3    80 LYS+ HE3     220.47                
 81 FPR  
         HD3    81 FPR  HG2     400.57                
         HD3    81 FPR  HA      815.86                
         HD3    81 FPR  HB3     129.35                
         HG2    82 THR  HN      157.75                
         HG2    86 HEMC HN       94.55                
         HG2    86 HEMC QT4     325.40                
         HG2    86 HEMC QM3     610.65                
         HG3    86 HEMC QT4     128.70                
         HB3    86 HEMC HN       75.18                
         HB3    86 HEMC HB2     105.95                
         HB3    86 HEMC QM3      15.46                
 82 THR  
         HA     82 THR  HB      867.10                
         HA     82 THR  QG2     817.35                
         HA     82 THR  HG1      16.43                
         HA     83 CYSH HN      533.00                
         HB     82 THR  QG2     909.55                
         HB     82 THR  HG1     426.30                
         HB     83 CYSH HN      891.80                
         HB     84 ILE  HN      108.00                
         QG2    82 THR  HG1     787.45                
         QG2    83 CYSH HN       65.85                
         QG2    84 ILE  HN        5.53                
         HG1    84 ILE  HN       27.98                
         HG1    84 ILE  QG2       3.19                
 83 CYSH 
         HN     83 CYSH HA      155.65                
         HN     83 CYSH HB2     272.90                
         HN     83 CYSH HB3      64.40                
         HN     84 ILE  HN      364.30                
         HN     84 ILE  HA       14.23                
         HA     83 CYSH HB2     374.80                
         HA     83 CYSH HB3     620.40                
         HA     84 ILE  HN       45.99                
         HA     86 HEMC QM3     235.80                
         HA     86 HEMC HT2A    412.31                
         HA     86 HEMC HAM     684.10                
         HB2    83 CYSH HB3    1884.50                
         HB2   109 HEMC HT4A     28.34                
         HB2   109 HEMC QT4     492.92                
         HB3    86 HEMC QM1     138.02                
         HB3    86 HEMC HT2A     54.33                
         HB3    86 HEMC HAM      20.47                
         HB3   109 HEMC QT4     614.30                
 84 ILE  
         HN     84 ILE  HA      319.20                
         HN     84 ILE  HB     1054.00                
         HN     84 ILE  QG2      21.25                
         HN     84 ILE  HG12     51.92                
         HN     84 ILE  QD1      94.25                
         HA     84 ILE  QG2     270.95                
         HA     84 ILE  HG12    251.47                
         HA     84 ILE  HG13    223.00                
         HA     84 ILE  QD1     360.97                
         HA     87 HISH HN      147.60                
         HA     87 HISH HD1       0.46                
         HB     84 ILE  QG2     618.75                
         HB     85 SER  HN      314.75                
         QG2    85 SER  HA      209.90                
         QG2    88 LYS+ HG2     141.43                
         QG2    88 LYS+ HE3      53.13                
         QG2   102 THR  HB      112.60                
         HG13  102 THR  HA       29.39                
         QD1   102 THR  HA      115.25                
         QD1   102 THR  HB      122.88                
         QD1   109 HEMC QM3    1098.93                
         QD1   109 HEMC HT2A    162.15                
         QD1   109 HEMC HAM     364.70                
 85 SER  
         HA     86 HEMC HN       15.85                
         HA     88 LYS+ HB2     436.59                
         HA     88 LYS+ HB3      28.58                
         HB2    85 SER  HB3    2413.50                
 86 HEMC 
         HN     87 HISH HN      582.10                
         HA     86 HEMC HB3     380.80                
         HA     86 HEMC QT4      15.60                
         HA     87 HISH HN      130.90                
         HA     89 ASP- HN      210.70                
         HA     89 ASP- HB3     147.33                
         HB2    86 HEMC HB3    1597.50                
         HB2    86 HEMC HT4A     68.69                
         HB2    86 HEMC QT4     695.05                
         HB2    86 HEMC QM3     736.96                
         HB3    86 HEMC QM3     523.80                
         HB3    87 HISH HN      442.95                
         HB3    87 HISH HD2     217.33                
         HT4A   90 LYS+ HE3      42.53                
         HBM    87 HISH HD2     123.65                
         HBM    90 LYS+ HB3       3.69                
         HBM    90 LYS+ HG3      98.30                
         HBM    90 LYS+ HE3      96.57                
         QM5    86 HEMC HA62    517.25                
         QM5    86 HEMC HA63     59.80                
         QM5    86 HEMC HB62     81.27                
         QM5    90 LYS+ HG2     131.09                
         QM5    90 LYS+ HG3     115.50                
         QM5    90 LYS+ HD2      77.70                
         QM5    90 LYS+ HD3      97.85                
         HA62   86 HEMC HB62    751.45                
         HA62  101 LEU  QD1      15.74                
         HA63   86 HEMC HB62    107.89                
         HB62   86 HEMC HGM      99.35                
         HB62  101 LEU  QD1     130.07                
         HB62  101 LEU  QD2      78.89                
         HB63  101 LEU  QD1     303.30                
         HB63  101 LEU  QD2     367.62                
         HGM    86 HEMC HA73   1174.28                
         HGM    86 HEMC HB72    470.15                
         HGM    86 HEMC HB73    375.85                
         HGM   101 LEU  QD2     411.65                
         HGM   108 ALA  QB       44.15                
         HA72   86 HEMC HB73    799.85                
         HA72  108 ALA  QB      923.80                
         HA73   86 HEMC HB72    999.35                
         HA73   86 HEMC HB73    669.20                
         HA73   86 HEMC QM8     186.10                
         HA73  101 LEU  QD2     423.75                
         HA73  108 ALA  QB      564.70                
         HB72   86 HEMC HB73   1755.07                
         HB72  101 LEU  QD2      86.20                
         QM8   101 LEU  QD2      22.90                
         QM8   109 HEMC HA      236.15                
         HDM    87 HISH HE1     114.44                
         HDM   109 HEMC HT4A     15.99                
         HDM   109 HEMC QT4      80.95                
         QM1   109 HEMC HT4A    544.53                
         QM1   109 HEMC QT4     218.79                
         QM1   109 HEMC HBM     382.07                
         QM1   109 HEMC QM5     344.31                
 87 HISH 
         HN     87 HISH HA      466.90                
         HN     87 HISH HB2     917.35                
         HN     87 HISH HB3     263.00                
         HN     87 HISH HD2     492.35                
         HN    101 LEU  QD1      39.22                
         HN    102 THR  QG2      55.20                
         HA     87 HISH HB2     302.60                
         HA     87 HISH HB3     318.93                
         HA     87 HISH HD1      61.55                
         HA     90 LYS+ HB3     368.64                
         HA    101 LEU  HB2      69.75                
         HB2    87 HISH HD1     328.65                
         HB3    87 HISH HD1     454.40                
         HB3   102 THR  QG2     753.20                
         HD1    87 HISH HE1     949.80                
         HD1   101 LEU  HA      361.90                
         HD1   101 LEU  HB2     244.30                
         HD1   101 LEU  QD2     131.65                
         HD1   102 THR  HA        0.14                
         HD1   109 HEMC QT4    1118.35                
         HD1   109 HEMC QM3     133.65                
         HD2    87 HISH HE1      66.51                
         HD2    90 LYS+ HE3      10.03                
         HD2   101 LEU  QD1      32.11                
         HE1   101 LEU  QD2     202.46                
         HE1   109 HEMC HT4A      2.18                
         HE1   109 HEMC QT4     916.80                
 88 LYS+ 
         HN     88 LYS+ HB2     973.00                
         HN     89 ASP- HN      614.85                
         HN     90 LYS+ HN       20.47                
         HN    102 THR  QG2     343.05                
         HA     88 LYS+ HB2     611.29                
         HA     88 LYS+ HG2      50.05                
         HA     88 LYS+ HG3     418.10                
         HA     89 ASP- HN      151.90                
         HA     91 ALA  QB      354.50                
         HA    102 THR  QG2     968.00                
         HB2    89 ASP- HN      301.60                
         HB3    89 ASP- HN      378.95                
         HG2    88 LYS+ HE3      10.93                
         HG3   102 THR  QG2     128.65                
 89 ASP- 
         HN     89 ASP- HA      702.55                
         HN     89 ASP- HB2     543.25                
         HN     89 ASP- HB3     891.05                
         HN     90 LYS+ HN      651.15                
         HN     91 ALA  HN       60.27                
         HA     89 ASP- HB2    1124.27                
         HA     90 LYS+ HN       41.79                
         HA     92 GLY  HN       77.05                
         HB2    90 LYS+ HN      230.20                
         HB3    90 LYS+ HN      258.30                
 90 LYS+ 
         HN     90 LYS+ HA      429.50                
         HN     90 LYS+ HG2     390.40                
         HN     90 LYS+ HD3      71.40                
         HN     91 ALA  HN      671.90                
         HN     91 ALA  QB        8.30                
         HB3   101 LEU  QD1     532.95                
         HG2    90 LYS+ HE3       8.70                
         HG2   101 LEU  QD1      76.11                
         HG3   101 LEU  QD1     604.90                
         HD2    90 LYS+ HE3     115.32                
         HD3    90 LYS+ HE3     117.93                
 91 ALA  
         HN     91 ALA  HA      551.75                
         HN     91 ALA  QB     1141.50                
         HN    101 LEU  QD1     128.00                
         HA     91 ALA  QB      789.39                
         HA     92 GLY  HN       39.19                
         HA     97 LEU  HG        2.74                
         HA     97 LEU  QD1     472.10                
         QB     97 LEU  HN        7.01                
         QB     98 LYS+ HN      357.60                
         QB     98 LYS+ HA     1259.00                
         QB     98 LYS+ HE3      21.81                
 92 GLY  
         HN     92 GLY  HA2     899.50                
         HA2    93 ASP- HN       84.15                
         HA2    93 ASP- HA        1.57                
         HA2    94 ASP- HN       14.30                
 93 ASP- 
         HN     94 ASP- HN       74.70                
         HA     93 ASP- HB2     385.20                
         HA     93 ASP- HB3     525.16                
         HA     98 LYS+ HE3      14.67                
         HB2    93 ASP- HB3    3335.00                
         HB2    94 ASP- HN       42.50                
 94 ASP- 
         HN     94 ASP- HA      302.50                
         HN     94 ASP- HB2     900.25                
         HN     94 ASP- HB3     691.80                
         HN     97 LEU  HN       13.16                
         HA     94 ASP- HB3     413.45                
         HA     95 LYS+ HN      575.85                
         HA     96 GLU- HN        0.97                
         HB2    94 ASP- HB3    1189.56                
         HB2    97 LEU  HN       80.60                
         HB3    95 LYS+ HN       80.15                
         HB3    97 LEU  HB3     231.72                
         HB3    97 LEU  QD1     143.05                
 95 LYS+ 
         HN     95 LYS+ HB2     176.80                
         HN     95 LYS+ HG3     110.05                
         HA     95 LYS+ HB2     370.98                
         HA     95 LYS+ HB3     569.15                
         HA     95 LYS+ HG2     332.25                
         HA     95 LYS+ HG3     223.95                
         HA     96 GLU- HN       62.20                
         HA     97 LEU  HN       79.60                
         HA     98 LYS+ HB2     414.57                
         HA     99 LYS+ HN       14.26                
         HB2    96 GLU- HN      173.25                
         HB3    96 GLU- HN      175.60                
 96 GLU- 
         HN     96 GLU- HB2     567.50                
         HN     96 GLU- HB3     244.20                
         HN     96 GLU- HG2      76.31                
         HN     96 GLU- HG3      23.55                
         HN     97 LEU  HN      817.20                
         HA     96 GLU- HB2     820.00                
         HA     96 GLU- HG2      59.54                
         HA     96 GLU- HG3     237.30                
         HA     99 LYS+ HN       47.85                
         HB2    97 LEU  HN      299.40                
 97 LEU  
         HN     97 LEU  HA      372.60                
         HN     97 LEU  HB3     358.25                
         HN     97 LEU  QD1      37.15                
         HN     97 LEU  QD2      62.90                
         HN     98 LYS+ HN      383.85                
         HA     97 LEU  HB3     619.15                
         HA     97 LEU  QD1     650.50                
         HA     97 LEU  QD2     970.61                
         HA     99 LYS+ HN      107.85                
         HA    101 LEU  QD1      50.95                
         HA    101 LEU  QD2      48.50                
         HB2    97 LEU  QD2     874.22                
         HG     97 LEU  QD1     363.85                
         HG     97 LEU  QD2    1828.65                
         HG    101 LEU  QD1     116.20                
         QD1   100 LYS+ HN        3.35                
         QD1   101 LEU  QD1     504.00                
         QD2   101 LEU  QD1     359.29                
 98 LYS+ 
         HN     98 LYS+ HA      472.50                
         HN     98 LYS+ HB2     725.80                
         HN     98 LYS+ HB3     780.55                
         HN     99 LYS+ HN      535.45                
         HA     98 LYS+ HB2     762.32                
         HA     98 LYS+ HB3     450.88                
         HA     98 LYS+ HG3     274.02                
         HA     98 LYS+ HD3      82.85                
         HA     99 LYS+ HN       64.40                
         HA    101 LEU  QD1      14.08                
         HA    102 THR  HN       45.50                
         HA    102 THR  QG2     219.39                
         HB2    99 LYS+ HN       46.25                
         HB3    99 LYS+ HN      271.75                
 99 LYS+ 
         HN     99 LYS+ HB3     909.50                
         HN     99 LYS+ HG2     115.60                
         HN     99 LYS+ HD3      29.02                
         HA     99 LYS+ HG2     203.05                
         HA     99 LYS+ HD3     186.57                
         HA    100 LYS+ HN      169.40                
         HB3    99 LYS+ HE3      10.43                
         HB3   100 LYS+ HN      618.50                
         HG3   100 LYS+ HN       72.50                
100 LYS+ 
         HN    100 LYS+ HG2     973.40                
         HN    100 LYS+ HG3     341.25                
         HN    101 LEU  HN      249.90                
         HA    100 LYS+ HD3      58.03                
         HA    108 ALA  HN      609.70                
         HB3   101 LEU  HN       89.40                
         HB3   108 ALA  HN       15.59                
         HG2   101 LEU  HN      389.65                
         HG2   101 LEU  HA        7.91                
         HG3   100 LYS+ HE3      72.31                
         HG3   101 LEU  HN       79.04                
         HG3   101 LEU  QD2     343.95                
         HG3   108 ALA  HN      131.00                
         HD3   108 ALA  HN       12.60                
101 LEU  
         HN    101 LEU  HA      340.20                
         HN    101 LEU  QD2     181.55                
         HN    102 THR  HN      374.10                
         HN    102 THR  HG1      24.04                
         HN    103 GLY  HN       59.20                
         HA    101 LEU  HB2      58.17                
         HA    101 LEU  QD2    1602.51                
         HA    102 THR  HN      140.50                
         HA    102 THR  QG2      38.70                
         HB2   101 LEU  QD2     456.45                
         HB2   102 THR  HN        9.95                
         HB2   102 THR  QG2     201.27                
         QD2   108 ALA  QB      392.62                
102 THR  
         HN    102 THR  HA      226.45                
         HN    102 THR  HB       20.51                
         HN    102 THR  QG2     252.80                
         HN    109 HEMC QM3      28.42                
         HA    102 THR  HB     1503.51                
         HA    102 THR  QG2     919.17                
         HA    103 GLY  HN       78.50                
         HA    109 HEMC QM3    1370.00                
         HA    109 HEMC HAM       8.45                
         HB    102 THR  QG2    1756.63                
         QG2   102 THR  HG1     187.90                
         QG2   103 GLY  HN       31.55                
103 GLY  
         HN    103 GLY  HA1     435.10                
         HN    104 CYSH HN        5.57                
         HN    107 SER  HB3      60.42                
         HA1   103 GLY  HA2    2217.63                
         HA2   105 LYS+ HN       52.40                
         HA2   107 SER  HB2     320.66                
         HA2   107 SER  HB3     169.02                
         HA2   109 HEMC HAM       6.11                
104 CYSH 
         HN    104 CYSH HB3      92.60                
         HN    109 HEMC HT2A     92.55                
         HN    109 HEMC HAM      52.27                
         HA    104 CYSH HB2     477.65                
         HA    104 CYSH HB3     709.81                
         HA    105 LYS+ HN       43.45                
         HA    109 HEMC HT2A    969.90                
         HA    109 HEMC QT2     167.99                
         HA    109 HEMC HAM     626.55                
         HA    110 HISH HB2       3.96                
         HA    110 HISH HD2     249.63                
         HB2   104 CYSH HB3    2365.86                
         HB2   105 LYS+ HN      159.70                
         HB2   109 HEMC HT2A     51.15                
         HB3   105 LYS+ HN       67.30                
         HB3   109 HEMC HAM       7.97                
         HB3   110 HISH HD2       9.28                
105 LYS+ 
         HN    105 LYS+ HA      185.85                
         HN    105 LYS+ HD3     132.20                
         HA    105 LYS+ HG2     165.72                
         HA    105 LYS+ HG3     124.65                
         HA    106 GLY  HN     1147.00                
         HB3   106 GLY  HN      109.05                
         HG3   105 LYS+ HE3      67.47                
         HD3   105 LYS+ HE3     106.71                
         HD3   106 GLY  HN      104.70                
         HD3   106 GLY  HA2      76.00                
106 GLY  
         HN    106 GLY  HA2     553.95                
         HN    107 SER  HN      880.90                
         HN    111 FPR  HA       91.45                
         HN    112 SER  HN       51.10                
         HN    112 SER  HB3      13.23                
         HA1   106 GLY  HA2    1346.08                
         HA1   107 SER  HN      214.55                
         HA1   107 SER  HA       89.77                
         HA1   112 SER  HN       67.70                
         HA2   107 SER  HA       30.28                
107 SER  
         HN    107 SER  HA      209.95                
         HN    107 SER  HB2     125.75                
         HN    107 SER  HB3      45.50                
         HN    107 SER  HG      149.60                
         HN    109 HEMC HN       10.88                
         HN    110 HISH HN      122.70                
         HA    107 SER  HB2     950.71                
         HA    107 SER  HB3     779.50                
         HA    108 ALA  HN      533.70                
         HA    109 HEMC HN       12.00                
         HB2   107 SER  HB3    2077.00                
         HB2   109 HEMC QM3      57.85                
         HB3   108 ALA  HN      219.45                
         HB3   109 HEMC HN       49.40                
         HB3   109 HEMC QM3      39.05                
         HB3   110 HISH HN       20.52                
         HG    108 ALA  HN      100.41                
         HG    109 HEMC HN      136.30                
         HG    109 HEMC QM3     361.95                
         HG    110 HISH HN      489.10                
108 ALA  
         HN    108 ALA  QB      934.60                
         HN    109 HEMC HN      559.15                
         HN    110 HISH HN        2.07                
         HA    108 ALA  QB     1619.00                
         QB    109 HEMC HN      308.95                
109 HEMC 
         HN    109 HEMC HA      387.25                
         HN    109 HEMC HB2     552.85                
         HN    109 HEMC HB3     173.50                
         HN    109 HEMC QM3      46.43                
         HN    110 HISH HN      849.35                
         HA    109 HEMC HB2     165.61                
         HA    109 HEMC HB3     424.50                
         HA    110 HISH HN       37.26                
         HB2   109 HEMC HT4A    134.80                
         HB2   109 HEMC HBM      60.82                
         HB3   109 HEMC HT4A    310.20                
         HB3   109 HEMC HBM     119.25                
         HB3   110 HISH HN      203.65                
         QM3   110 HISH HN       36.10                
         QM5   109 HEMC HA62    177.60                
         HA62  109 HEMC HA63     44.21                
         HA62  109 HEMC HB63    117.47                
         HA62  109 HEMC HGM     307.75                
         HA63  109 HEMC HB63    248.85                
         HA63  109 HEMC HGM     707.30                
         HB63  109 HEMC HGM      92.63                
         HGM   109 HEMC HA72    229.75                
         HGM   109 HEMC HA73    128.77                
         HGM   109 HEMC HB72    135.64                
         HGM   109 HEMC HB73    113.52                
         HGM   110 HISH HE1       8.36                
         HA72  109 HEMC HA73    698.88                
         HA72  109 HEMC HB72    207.55                
         HA73  109 HEMC HB73    305.68                
         HB72  109 HEMC HB73   3658.00                
         HT2A  110 HISH HD2      62.90                
         HAM   110 HISH HD2      98.80                
110 HISH 
         HN    110 HISH HA      174.65                
         HN    110 HISH HB3     133.65                
         HN    110 HISH HD2       2.35                
         HN    111 FPR  HD3      65.15                
         HA    111 FPR  HD3     876.75                
         HB2   111 FPR  HD2      37.68                
         HB3   110 HISH HD1     158.25                
         HD1   111 FPR  HD2      54.40                
111 FPR  
         HD2   111 FPR  HD3     413.00                
         HD2   111 FPR  HG3     517.25                
         HD2   111 FPR  HA      114.09                
         HD2   111 FPR  HB3     111.95                
         HD2   112 SER  HN       82.65                
         HD3   111 FPR  HG3      39.12                
         HD3   111 FPR  HA       42.64                
         HD3   111 FPR  HB3      58.35                
         HD3   112 SER  HN       26.10                
         HG3   111 FPR  HA      268.92                
         HG3   111 FPR  HB3     671.67                
         HA    111 FPR  HB3     523.00                
         HA    112 SER  HN      777.70                
         HB3   112 SER  HN       38.45                
112 SER  
         HN    112 SER  HA      376.10                
         HN    112 SER  HB3     206.62                
         HA    112 SER  HB3     347.20                
#Upper limit volumes
  1 VAL  
         HA      1 VAL  HB      666.08                
         HA      1 VAL  QG1     252.12                
         HA      1 VAL  QG2     561.92                
         HA      2 ASP- HN      233.40                
         HB      1 VAL  QG1    1412.02                
         HB      1 VAL  QG2    1473.75                
         HB      2 ASP- HN      203.10                
         HB     37 HEMC HDM     100.79                
         HB     37 HEMC QM1     340.70                
         HB     46 TYRF HD1     115.48                
         HB     46 TYRF HD2     115.48                
         HB     46 TYRF HE1      86.28                
         HB     46 TYRF HE2      86.28                
         QG1     2 ASP- HN      265.35                
         QG1     2 ASP- HA      139.42                
         QG1    37 HEMC QM8     378.80                
         QG1    37 HEMC HDM     319.10                
         QG1    37 HEMC QM1     600.95                
         QG1    46 TYRF HQD2    307.27                
         QG1    46 TYRF HQE2    329.18                
         QG2     2 ASP- HN      265.35                
         QG2     4 FPR  HD2     112.02                
         QG2    37 HEMC QM8     906.59                
         QG2    37 HEMC HDM     338.71                
         QG2    37 HEMC QM1     696.63                
         QG2    46 TYRF HB3     304.15                
         QG2    46 TYRF HQD2    238.66                
         QG2    46 TYRF HQE2    877.00                
  2 ASP- 
         HN      2 ASP- HB3     107.39                
         HA      2 ASP- HB2     870.80                
         HA      2 ASP- HB3    1794.95                
         HA      3 VAL  HN     2817.50                
         HA      3 VAL  HA      111.18                
         HA      3 VAL  HB      111.13                
         HA      3 VAL  QG1     136.47                
         HA      3 VAL  QG2     128.59                
         HA     37 HEMC QM1     158.14                
         HB2     3 VAL  HN      987.90                
         HB3     3 VAL  HN      211.25                
  3 VAL  
         HN      3 VAL  HA      442.70                
         HN      3 VAL  HB     1005.45                
         HN      3 VAL  QG1     848.20                
         HN      3 VAL  QG2     500.75                
         HN      4 FPR  HD2     103.87                
         HN      4 FPR  HD3     119.57                
         HN     37 HEMC QM1     290.42                
         HN     37 HEMC QT2     106.18                
         HA      3 VAL  HB     3617.60                
         HA      3 VAL  QG1     496.25                
         HA      3 VAL  QG2     597.52                
         HA      4 FPR  HD2    1257.72                
         HA      4 FPR  HD3    2642.00                
         HA      4 FPR  HG2     199.02                
         HA      4 FPR  HG3     263.69                
         HA      4 FPR  HB2     104.23                
         HA     37 HEMC HDM     322.37                
         HA     37 HEMC QM1     381.77                
         HA     37 HEMC QT2     104.07                
         HB      3 VAL  QG1    1063.00                
         HB      3 VAL  QG2    1135.65                
         HB      4 FPR  HD2     274.98                
         HB      4 FPR  HD3     186.32                
         HB     37 HEMC HDM     110.44                
         HB     37 HEMC QM1     379.44                
         HB     37 HEMC QT2     513.90                
         QG1     3 VAL  QG2    2220.50                
         QG1     4 FPR  HD2     292.67                
         QG1     4 FPR  HD3     155.51                
         QG1     4 FPR  HA      113.67                
         QG1     5 ALA  HA      116.38                
         QG1    26 HISH HN      111.81                
         QG1    26 HISH HB2    1708.15                
         QG1    26 HISH HB3     557.24                
         QG1    26 HISH HD1     111.34                
         QG1    26 HISH HD2     987.75                
         QG1    37 HEMC HDM     124.13                
         QG1    37 HEMC QM1     317.10                
         QG1    37 HEMC HT2A    131.77                
         QG1    37 HEMC QT2     614.67                
         QG1    37 HEMC HAM     121.35                
         QG2     4 FPR  HD2     569.12                
         QG2     4 FPR  HD3     315.70                
         QG2     4 FPR  HA      103.29                
         QG2     4 FPR  HB2     136.33                
         QG2     5 ALA  HA       94.95                
         QG2    26 HISH HN       96.98                
         QG2    26 HISH HA      139.55                
         QG2    26 HISH HB2     458.00                
         QG2    26 HISH HB3     953.85                
         QG2    26 HISH HD1     133.68                
         QG2    26 HISH HD2     570.30                
         QG2    27 SER  HA      113.26                
         QG2    30 LYS+ HA       97.26                
         QG2    37 HEMC HDM     143.00                
         QG2    37 HEMC QM1     454.80                
         QG2    37 HEMC HT2A    125.43                
         QG2    37 HEMC QT2     782.60                
         QG2    37 HEMC HAM      84.81                
  4 FPR  
         HD2     4 FPR  HD3    2663.00                
         HD2     4 FPR  HG2     612.30                
         HD2     4 FPR  HG3     412.80                
         HD2     4 FPR  HA      127.65                
         HD2     4 FPR  HB2     244.30                
         HD2     4 FPR  HB3     200.81                
         HD2    26 HISH HD1     126.35                
         HD2    26 HISH HD2     148.77                
         HD2    26 HISH HE1     225.10                
         HD2    37 HEMC QM8     151.08                
         HD2    37 HEMC HDM     196.69                
         HD2    37 HEMC QM1     135.55                
         HD2    37 HEMC QT2      99.99                
         HD3     4 FPR  HG2     637.24                
         HD3     4 FPR  HG3     600.80                
         HD3     4 FPR  HB2     104.50                
         HD3    37 HEMC QM8     298.20                
         HD3    37 HEMC HDM     302.51                
         HD3    37 HEMC QM1      95.97                
         HG2     4 FPR  HG3    1865.37                
         HG2     4 FPR  HA      377.13                
         HG2     4 FPR  HB2     590.97                
         HG2     4 FPR  HB3     754.70                
         HG2    26 HISH HD1     174.04                
         HG2    26 HISH HE1     473.70                
         HG2    37 HEMC HGM      94.39                
         HG2    37 HEMC HDM     107.42                
         HG3     4 FPR  HA      354.35                
         HG3     4 FPR  HB2     258.10                
         HG3     4 FPR  HB3    3600.00                
         HG3    26 HISH HE1    3600.00                
         HG3    37 HEMC HGM     103.66                
         HG3    37 HEMC HA73    116.72                
         HG3    37 HEMC HB72    139.29                
         HG3    37 HEMC QM8     488.89                
         HG3    37 HEMC HDM     122.31                
         HA      4 FPR  HB2     623.35                
         HA      4 FPR  HB3     989.00                
         HA      5 ALA  HN     2259.50                
         HA      5 ALA  QB      224.23                
         HB2     4 FPR  HB3    2364.64                
         HB2     5 ALA  HN      407.60                
         HB2     5 ALA  HA       92.92                
         HB2     8 ALA  QB      361.81                
         HB2    26 HISH HD1     462.10                
         HB2    26 HISH HE1    2364.64                
         HB3     5 ALA  HN      427.25                
         HB3    26 HISH HD1     155.86                
  5 ALA  
         HN      5 ALA  HA      742.00                
         HN      5 ALA  QB     1745.00                
         HN      6 ASP- HN      204.26                
         HA      5 ALA  QB     2514.64                
         HA      6 ASP- HN     2141.85                
         QB      6 ASP- HN     1010.85                
  6 ASP- 
         HN      6 ASP- HA      508.80                
         HN      6 ASP- HB2     817.65                
         HN      6 ASP- HB3     945.90                
         HN     25 ASN  HD22     90.69                
         HA      6 ASP- HB2     732.25                
         HA      6 ASP- HB3     425.01                
         HA      7 GLY  HN     1062.00                
         HA      8 ALA  HN      627.20                
         HA     25 ASN  HA     1283.68                
         HA     25 ASN  HB2     170.13                
         HB2     7 GLY  HN      817.65                
         HB2     7 GLY  HA1     663.00                
         HB2    25 ASN  HB2      93.88                
         HB2    25 ASN  HD21    141.67                
         HB2    25 ASN  HD22    195.15                
         HB3     7 GLY  HN     1643.50                
         HB3    25 ASN  HD22    119.04                
  7 GLY  
         HN      7 GLY  HA1     634.75                
         HN      7 GLY  HA2     818.20                
         HN      8 ALA  HN      462.05                
         HN     23 VAL  QG1     295.65                
         HN     25 ASN  HD22     98.44                
         HA1     7 GLY  HA2    4085.50                
         HA1     8 ALA  HN      484.80                
         HA1    23 VAL  QG1     785.45                
         HA2     8 ALA  HN      253.45                
         HA2    23 VAL  QG1    1401.50                
  8 ALA  
         HN      8 ALA  HA      700.90                
         HN      8 ALA  QB      913.35                
         HN      9 LYS+ HN      131.15                
         HN     23 VAL  QG1     249.65                
         HN     24 PHE  HN      195.85                
         HN     24 PHE  HB3     121.18                
         HA      8 ALA  QB    91657.98                
         HA      9 LYS+ HN     2431.50                
         HA      9 LYS+ HG2     104.07                
         HA      9 LYS+ HG3     104.07                
         QB      9 LYS+ HN      500.90                
         QB     23 VAL  QG1     396.14                
         QB     24 PHE  HN      257.20                
         QB     24 PHE  HB2     548.41                
         QB     24 PHE  HB3     467.42                
         QB     24 PHE  HD1     211.08                
         QB     26 HISH HD1     124.46                
         QB     37 HEMC HB62    105.15                
  9 LYS+ 
         HN      9 LYS+ HA      283.80                
         HN      9 LYS+ HB2     747.40                
         HN      9 LYS+ HB3     679.60                
         HN      9 LYS+ HG2     213.10                
         HN      9 LYS+ HG3     213.10                
         HN      9 LYS+ HD2     163.15                
         HN      9 LYS+ HD3     163.15                
         HN     10 ILE  HN      142.01                
         HN     10 ILE  HA      113.29                
         HN     10 ILE  QD1     679.60                
         HN     21 THR  QG2      98.75                
         HN     23 VAL  QG1     107.85                
         HA      9 LYS+ HB2     957.89                
         HA      9 LYS+ HB3    1433.95                
         HA      9 LYS+ HG2     348.30                
         HA      9 LYS+ HG3     348.30                
         HA      9 LYS+ HD2     369.60                
         HA      9 LYS+ HD3     369.60                
         HA     10 ILE  HN     1703.50                
         HA     21 THR  QG2     236.94                
         HA     22 VAL  HN      181.29                
         HA     23 VAL  HA     3246.00                
         HA     23 VAL  QG1     144.48                
         HA     23 VAL  QG2     223.26                
         HA     24 PHE  HN      245.45                
         HB2    10 ILE  HN      380.20                
         HB3    10 ILE  HN      250.60                
         HG2     9 LYS+ HE2     524.65                
         HG2     9 LYS+ HE3     524.65                
         HG2    10 ILE  HN      129.55                
         HG3     9 LYS+ HE2     524.65                
         HG3     9 LYS+ HE3     524.65                
         HG3    10 ILE  HN      129.55                
         HE2    21 THR  QG2     293.50                
         HE2    23 VAL  QG2     529.21                
         HE2    58 LEU  QD1     195.60                
         HE3    21 THR  QG2     293.50                
         HE3    23 VAL  QG2     529.21                
         HE3    58 LEU  QD1     195.60                
 10 ILE  
         HN     10 ILE  HA      369.55                
         HN     10 ILE  HB      822.50                
         HN     10 ILE  QG2     288.65                
         HN     10 ILE  HG12    275.00                
         HN     10 ILE  HG13    403.20                
         HN     10 ILE  QD1     212.85                
         HN     11 ASP- HN      146.66                
         HN     21 THR  HA      115.24                
         HN     21 THR  HB      107.46                
         HN     21 THR  QG2     203.54                
         HN     22 VAL  HN      289.35                
         HN     22 VAL  HB      208.32                
         HN     22 VAL  QG2     104.51                
         HN     23 VAL  HA      232.45                
         HN     23 VAL  QG2     116.42                
         HN     24 PHE  HN      129.97                
         HA     10 ILE  HB      357.38                
         HA     10 ILE  QG2    1049.05                
         HA     10 ILE  HG12   1429.00                
         HA     10 ILE  HG13    354.30                
         HA     10 ILE  QD1    4869.00                
         HA     11 ASP- HN     1963.00                
         HA     11 ASP- HA       97.83                
         HA     11 ASP- HB2     109.53                
         HA     12 PHEF HN      110.67                
         HA     12 PHEF HQD1    109.48                
         HA     12 PHEF HQE1    113.20                
         HA     12 PHEF HZ      182.50                
         HA     68 TRP  HZ2     102.01                
         HB     10 ILE  QG2     918.75                
         HB     10 ILE  HG13    795.58                
         HB     10 ILE  QD1     833.84                
         HB     12 PHEF HQE1    104.09                
         HB     22 VAL  HN      932.85                
         HB     22 VAL  HB      940.47                
         HB     22 VAL  QG2     265.60                
         HB     24 PHE  HE1     372.30                
         HB    109 HEMC QM5     342.25                
         HB    109 HEMC HB62    209.55                
         HB    109 HEMC HB63    209.55                
         QG2    10 ILE  HG12    754.30                
         QG2    10 ILE  QD1    4433.50                
         QG2    11 ASP- HN      556.85                
         QG2    11 ASP- HA      191.33                
         QG2    12 PHEF HN      349.95                
         QG2    12 PHEF HQD1    644.80                
         QG2    12 PHEF HQE1    530.33                
         QG2    12 PHEF HZ      170.67                
         QG2    22 VAL  HN      112.43                
         QG2    22 VAL  QG2     188.44                
         QG2    50 THR  QG2     117.17                
         QG2    68 TRP  HD1     116.51                
         QG2    68 TRP  HE1     363.50                
         QG2    68 TRP  HZ3      81.39                
         QG2    68 TRP  HZ2    1423.50                
         QG2    68 TRP  HH2     234.78                
         QG2    72 VAL  QG1      99.82                
         QG2    72 VAL  QG2     141.50                
         QG2   109 HEMC HBM      95.71                
         QG2   109 HEMC QM5    1374.21                
         QG2   109 HEMC HA62    517.09                
         QG2   109 HEMC HB62    353.39                
         QG2   109 HEMC HB63    353.39                
         QG2   109 HEMC HGM     120.85                
         HG12   10 ILE  HG13    917.20                
         HG12   11 ASP- HN      144.71                
         HG12   12 PHEF HD1      89.48                
         HG12   12 PHEF HD2      89.48                
         HG12   12 PHEF HQE1    100.78                
         HG12   22 VAL  HB      348.75                
         HG12   22 VAL  QG2      91.90                
         HG12   24 PHE  HD1      93.75                
         HG12   24 PHE  HD2      97.85                
         HG12   37 HEMC HB62    134.10                
         HG12   68 TRP  HZ2     106.87                
         HG12   68 TRP  HH2      93.43                
         HG13   10 ILE  QD1     357.97                
         HG13   12 PHEF HQE1     90.75                
         HG13   23 VAL  HA       96.36                
         HG13   24 PHE  HD1      98.41                
         HG13   24 PHE  HD2      89.15                
         HG13   37 HEMC HB63    260.72                
         QD1    12 PHEF HQD1    136.73                
         QD1    12 PHEF HQE1    141.01                
         QD1    24 PHE  HN      144.10                
         QD1    24 PHE  HD2     214.33                
         QD1    37 HEMC QM5     262.28                
         QD1    37 HEMC HB63    145.55                
         QD1    68 TRP  HE1      98.35                
         QD1    68 TRP  HZ2    1920.00                
         QD1    68 TRP  HH2      96.05                
         QD1    72 VAL  QG1     191.90                
         QD1    86 HEMC QT2     833.84                
         QD1   109 HEMC HGM      92.64                
 11 ASP- 
         HN     11 ASP- HA      461.55                
         HN     11 ASP- HB2     987.90                
         HN     11 ASP- HB3     598.75                
         HN     12 PHEF HN      291.95                
         HN     12 PHEF HA     2817.50                
         HN     12 PHEF HD1     161.46                
         HN     12 PHEF HD2     161.46                
         HN     12 PHEF HE1     136.00                
         HN     12 PHEF HE2     136.00                
         HN     13 ILE  HN      100.38                
         HN     21 THR  QG2      97.86                
         HA     11 ASP- HB2     777.62                
         HA     11 ASP- HB3     593.35                
         HA     12 PHEF HN     1185.50                
         HA     12 PHEF HE1      84.62                
         HA     12 PHEF HE2      84.62                
         HA     12 PHEF HQD1    104.76                
         HA     13 ILE  HN      335.00                
         HA     21 THR  HA      396.93                
         HA     21 THR  QG2     174.85                
         HA     68 TRP  HZ2      87.84                
         HA    109 HEMC QM5     122.26                
         HA    109 HEMC HA63    131.78                
         HA    109 HEMC HB62    147.54                
         HA    109 HEMC HB63    147.54                
         HA    109 HEMC HGM      90.26                
         HB2    21 THR  QG2    2963.18                
         HB3    12 PHEF HN      101.57                
         HB3    21 THR  HA      278.56                
         HB3    21 THR  QG2     435.70                
 12 PHEF 
         HN     12 PHEF HA      500.85                
         HN     12 PHEF HB2     512.80                
         HN     12 PHEF HB3     340.70                
         HN     12 PHEF HD1     630.84                
         HN     12 PHEF HD2     630.84                
         HN     12 PHEF HE1     168.54                
         HN     12 PHEF HE2     168.54                
         HN     13 ILE  HN     1505.00                
         HN     13 ILE  HB      282.80                
         HN     13 ILE  QG2      82.60                
         HN     13 ILE  HG13    265.25                
         HN    109 HEMC HB62    162.21                
         HN    109 HEMC HB63    162.21                
         HA     12 PHEF HB2     423.90                
         HA     12 PHEF HB3     748.60                
         HA     12 PHEF HD1    1225.09                
         HA     12 PHEF HD2    1225.09                
         HA     12 PHEF HE1     222.55                
         HA     12 PHEF HE2     222.55                
         HA     12 PHEF HZ       87.46                
         HA     13 ILE  HN      249.65                
         HA     50 THR  QG2     155.73                
         HA     58 LEU  QD2     147.60                
         HA     68 TRP  HD1     109.63                
         HB2    12 PHEF HB3    3047.00                
         HB2    12 PHEF HD1     878.90                
         HB2    12 PHEF HD2     878.90                
         HB2    12 PHEF HE1     176.12                
         HB2    12 PHEF HE2     176.12                
         HB2    13 ILE  HN      304.90                
         HB2    50 THR  QG2     211.57                
         HB2    58 LEU  QD1     108.43                
         HB2    68 TRP  HD1     277.79                
         HB2    68 TRP  HE1     307.30                
         HB3    12 PHEF HD1     876.37                
         HB3    12 PHEF HD2     876.37                
         HB3    12 PHEF HE1     137.60                
         HB3    12 PHEF HE2     137.60                
         HB3    13 ILE  HN      219.10                
         HB3    50 THR  QG2     731.75                
         HB3    58 LEU  QD1     214.54                
         HB3    58 LEU  QD2     528.75                
         HB3    68 TRP  HD1     301.19                
         HB3    68 TRP  HE1     203.05                
         HD1    12 PHEF HE1    2279.77                
         HD1    12 PHEF HE2    2279.77                
         HD1    12 PHEF HZ      423.60                
         HD1    13 ILE  HB      149.96                
         HD1    13 ILE  HG13    124.00                
         HD1    50 THR  HA       92.37                
         HD1    58 LEU  HG       89.48                
         HD1    58 LEU  QD1     113.37                
         HD1    58 LEU  QD2     191.15                
         HD1   109 HEMC HB62    131.71                
         HD1   109 HEMC HB63    131.71                
         HD2    12 PHEF HE1    2279.77                
         HD2    12 PHEF HE2    2279.77                
         HD2    12 PHEF HZ      423.60                
         HD2    13 ILE  HB      149.96                
         HD2    13 ILE  HG13    124.00                
         HD2    50 THR  HA       92.37                
         HD2    58 LEU  HG       89.48                
         HD2    58 LEU  QD1     113.37                
         HD2    58 LEU  QD2     191.15                
         HD2   109 HEMC HB62    131.71                
         HD2   109 HEMC HB63    131.71                
         HE1    12 PHEF HZ     2306.28                
         HE1    37 HEMC HA62    101.26                
         HE1    37 HEMC HA63    101.26                
         HE1    49 CYSH HB2     123.13                
         HE1    50 THR  HN      256.67                
         HE1    58 LEU  QD1      84.90                
         HE1    58 LEU  QD2      92.91                
         HE2    12 PHEF HZ     2306.28                
         HE2    37 HEMC HA62    101.26                
         HE2    37 HEMC HA63    101.26                
         HE2    49 CYSH HB2     123.13                
         HE2    50 THR  HN      256.67                
         HE2    58 LEU  QD1      84.90                
         HE2    58 LEU  QD2      92.91                
         HQD1   13 ILE  HN      195.85                
         HQD1   13 ILE  QD1     137.45                
         HQD1   50 THR  QG2     513.05                
         HQD1   58 LEU  QD1     154.72                
         HQD1   68 TRP  HD1     225.32                
         HQD1   68 TRP  HE1     681.53                
         HQD1   68 TRP  HZ3     106.55                
         HQD1   68 TRP  HZ2     826.95                
         HQD1   72 VAL  QG2      91.35                
         HQD1  109 HEMC QM5     117.44                
         HQD1  109 HEMC HA62    192.74                
         HQE1   37 HEMC HB62    166.50                
         HQE1   37 HEMC HB63    156.57                
         HQE1   50 THR  QG2     245.65                
         HQE1   68 TRP  HE1     123.85                
         HQE1   68 TRP  HZ3     107.37                
         HQE1   68 TRP  HZ2     190.35                
         HQE1  109 HEMC HA62     96.02                
         HZ     37 HEMC HB62    159.34                
         HZ     37 HEMC HB63    130.28                
         HZ     49 CYSH HN       87.67                
         HZ     50 THR  QG2      89.04                
 13 ILE  
         HN     13 ILE  HA      331.35                
         HN     13 ILE  HB      920.10                
         HN     13 ILE  QG2     280.80                
         HN     13 ILE  HG12    419.80                
         HN     13 ILE  HG13    450.80                
         HN     13 ILE  QD1     419.80                
         HN     14 ALA  HN       83.27                
         HN     58 LEU  QD2     139.23                
         HN     68 TRP  HD1     178.58                
         HN     68 TRP  HE1    1505.00                
         HN    109 HEMC HA62    430.50                
         HN    109 HEMC HB62     91.28                
         HN    109 HEMC HB63     91.28                
         HA     13 ILE  QG2    1367.72                
         HA     13 ILE  HG13    810.81                
         HA     13 ILE  QD1    1920.00                
         HA     14 ALA  HN     1042.35                
         HA     14 ALA  HA      127.39                
         HA     58 LEU  QD1     424.00                
         HB     13 ILE  QG2    1172.96                
         HB     13 ILE  HG12   1870.00                
         HB     13 ILE  HG13    505.08                
         HB     13 ILE  QD1    1870.00                
         HB     14 ALA  HN       84.34                
         HB     15 GLY  HN       83.68                
         HB     58 LEU  QD2     165.69                
         HB     68 TRP  HD1     172.27                
         HB     68 TRP  HE1     131.65                
         HB    109 HEMC HGM     141.04                
         QG2    13 ILE  HG13    436.15                
         QG2    14 ALA  HN      171.79                
         QG2    14 ALA  HA      154.70                
         QG2    58 LEU  HA     1551.59                
         QG2    60 LYS+ HE3     640.90                
         QG2    68 TRP  HD1     220.20                
         QG2    68 TRP  HE1      82.60                
         QG2    69 TYRF HQD1    160.43                
         QG2   109 HEMC HGM     139.29                
         QG2   109 HEMC HB72    231.53                
         HG12   58 LEU  QD2     519.50                
         HG12   68 TRP  HD1    1430.50                
         HG12   98 LYS+ HA      187.13                
         HG13   13 ILE  QD1    3418.50                
         HG13   58 LEU  QD2     645.63                
         HG13   68 TRP  HD1    1090.40                
         HG13   68 TRP  HE1     145.34                
         HG13   69 TYRF HQD1    100.38                
         HG13  109 HEMC HGM      88.75                
         QD1    50 THR  QG2     106.99                
         QD1    58 LEU  QD2     519.50                
         QD1    60 LYS+ HA      206.07                
         QD1    68 TRP  HD1    1430.50                
         QD1    68 TRP  HE1     371.20                
         QD1    69 TYRF HN      262.40                
         QD1    69 TYRF HA      400.06                
         QD1    69 TYRF HB2     504.16                
         QD1    69 TYRF HB3    3449.09                
         QD1    69 TYRF HE1     175.93                
         QD1    69 TYRF HE2     175.93                
         QD1    69 TYRF HQD1    542.51                
         QD1    72 VAL  QG2     106.31                
         QD1    73 HISH HE1     115.50                
         QD1    98 LYS+ HA      187.13                
         QD1   109 HEMC HA62   1920.00                
         QD1   109 HEMC HGM     306.75                
         QD1   109 HEMC HA72    283.48                
         QD1   109 HEMC HA73    149.59                
 14 ALA  
         HN     14 ALA  QB     1037.60                
         HN     58 LEU  HB2      84.37                
         HN     58 LEU  HB3      84.37                
         HN     58 LEU  QD1     298.05                
         HA     14 ALA  QB     2105.64                
         HA     15 GLY  HN     1346.00                
         HA     19 ASN  HA      128.79                
         HA     19 ASN  HB2     100.35                
         HA     19 ASN  HB3     959.95                
         HA     19 ASN  HD21     89.10                
         HA     19 ASN  HD22     89.46                
         QB     15 GLY  HN      595.52                
         QB     19 ASN  HA       90.35                
         QB     19 ASN  HB2     440.10                
         QB     20 LEU  HN       89.00                
 15 GLY  
         HN     15 GLY  HA1     445.65                
         HN     15 GLY  HA2     428.95                
         HN     19 ASN  HA      444.45                
         HN     19 ASN  HB2     134.93                
         HN     20 LEU  HN       95.58                
         HA1    18 LYS+ HB2      98.66                
         HA1    19 ASN  HD22    129.54                
         HA1    20 LEU  HN      119.33                
         HA2    16 GLY  HN      333.00                
         HA2    19 ASN  HA     2100.00                
         HA2    20 LEU  HN      197.60                
 16 GLY  
         HN     16 GLY  HA1     600.90                
         HN     18 LYS+ HE2      84.29                
         HN     18 LYS+ HE3      84.29                
         HN     19 ASN  HA     2359.00                
         HA1    17 GLU- HN       83.52                
 17 GLU- 
         HA     17 GLU- HB2    2037.50                
         HA     17 GLU- HB3    2037.50                
         HA     17 GLU- HG2     226.25                
         HA     17 GLU- HG3     435.52                
         HA     18 LYS+ HN      263.10                
         HB2    17 GLU- HG2     530.85                
         HB2    18 LYS+ HN      264.75                
         HB3    17 GLU- HG2     530.85                
         HB3    18 LYS+ HN      264.75                
         HG2    18 LYS+ HN      105.90                
         HG3    18 LYS+ HN       83.25                
 18 LYS+ 
         HN     18 LYS+ HA      418.70                
         HN     18 LYS+ HB2     464.85                
         HN     18 LYS+ HB3     433.38                
         HN     18 LYS+ HD2     119.97                
         HN     18 LYS+ HD3     119.97                
         HA     18 LYS+ HB2    1023.46                
         HA     18 LYS+ HB3    1920.00                
         HA     18 LYS+ HG2     620.31                
         HA     18 LYS+ HG3     620.31                
         HA     18 LYS+ HD2     312.84                
         HA     18 LYS+ HD3     312.84                
         HA     19 ASN  HN      314.55                
         HA     19 ASN  HD21    138.14                
         HB2    18 LYS+ HE2      81.52                
         HB2    18 LYS+ HE3      81.52                
         HB2    20 LEU  QD2     134.28                
         HB3    19 ASN  HD21     86.55                
         HB3    20 LEU  QD1     105.49                
         HB3    20 LEU  QD2     497.84                
         HE2    19 ASN  HD22    110.16                
         HE2    20 LEU  QD1      88.00                
         HE2    20 LEU  QD2      91.57                
         HE3    19 ASN  HD22    110.16                
         HE3    20 LEU  QD1      88.00                
         HE3    20 LEU  QD2      91.57                
 19 ASN  
         HN     19 ASN  HA      433.55                
         HN     19 ASN  HB2     179.55                
         HN     19 ASN  HB3     113.49                
         HN     19 ASN  HD22     84.17                
         HA     19 ASN  HB2     399.05                
         HA     19 ASN  HB3    2429.16                
         HA     19 ASN  HD22   2359.00                
         HA     20 LEU  HN     1670.50                
         HA     20 LEU  QD2     189.66                
         HB2    19 ASN  HB3    4693.17                
         HB2    19 ASN  HD21    473.95                
         HB2    19 ASN  HD22    197.68                
         HB2    20 LEU  HN      169.82                
         HB3    19 ASN  HD21    359.95                
         HB3    19 ASN  HD22    324.60                
         HB3    20 LEU  HN      116.50                
         HD21   19 ASN  HD22   1300.00                
         HD21   20 LEU  HN       93.88                
         HD21   21 THR  QG2      90.37                
         HD22   20 LEU  HN       87.82                
         HD22   21 THR  HA       80.63                
         HD22   21 THR  QG2     588.45                
 20 LEU  
         HN     20 LEU  HA      407.46                
         HN     20 LEU  HB2     674.80                
         HN     20 LEU  HB3     331.45                
         HN     20 LEU  HG      873.90                
         HN     20 LEU  QD1     278.30                
         HN     20 LEU  QD2     271.95                
         HN     21 THR  HN       89.31                
         HN    109 HEMC HB72    145.21                
         HN    109 HEMC HB73    185.93                
         HA     20 LEU  HB2     538.46                
         HA     20 LEU  HB3     711.27                
         HA     20 LEU  QD1     248.45                
         HA     20 LEU  QD2    1681.15                
         HA     21 THR  HN      727.22                
         HA     21 THR  HA      112.25                
         HA    110 HISH HD1    1042.35                
         HB2    20 LEU  HB3    2079.00                
         HB2    20 LEU  QD1    1018.10                
         HB2    20 LEU  QD2    5323.50                
         HB2    22 VAL  QG2      82.00                
         HB2   109 HEMC HGM     109.74                
         HB2   110 HISH HD1     298.05                
         HB3    20 LEU  HG      521.85                
         HB3    20 LEU  QD1     757.25                
         HB3    20 LEU  QD2     767.80                
         HB3    21 THR  HN      180.73                
         HB3    21 THR  HA       89.67                
         HB3    22 VAL  HA       93.33                
         HB3    22 VAL  QG2     205.15                
         HB3   109 HEMC HGM      90.14                
         HB3   109 HEMC HB73    165.25                
         HB3   110 HISH HD1     467.15                
         HB3   110 HISH HE1     361.81                
         HG     20 LEU  QD1    1476.93                
         HG     20 LEU  QD2    1192.95                
         HG    109 HEMC HGM     122.44                
         HG    109 HEMC HB72    551.75                
         HG    109 HEMC QM8     551.75                
         QD1    20 LEU  QD2    1536.37                
         QD1    21 THR  HN      116.25                
         QD1    22 VAL  QG2     204.37                
         QD1    69 TYRF HQD1     87.61                
         QD1    73 HISH HE1      97.38                
         QD1   104 CYSH HA       86.92                
         QD1   109 HEMC HA63    110.02                
         QD1   109 HEMC HGM     128.42                
         QD1   109 HEMC HA73     90.19                
         QD1   109 HEMC HB72    834.50                
         QD1   109 HEMC HB73    449.39                
         QD1   109 HEMC QM8     834.50                
         QD1   109 HEMC HDM     151.67                
         QD1   110 HISH HA      128.15                
         QD1   110 HISH HB2     207.73                
         QD1   110 HISH HD1     405.20                
         QD1   110 HISH HD2     156.16                
         QD1   110 HISH HE1     550.90                
         QD2    21 THR  HN      331.35                
         QD2    21 THR  HA       98.95                
         QD2   104 CYSH HB3      91.39                
         QD2   105 LYS+ HE2     120.32                
         QD2   105 LYS+ HE3     120.32                
         QD2   109 HEMC HGM      82.79                
         QD2   109 HEMC QM8     119.72                
         QD2   110 HISH HA      166.83                
         QD2   110 HISH HD1     365.55                
         QD2   110 HISH HE1     158.03                
         QD2   112 SER  HN      210.00                
 21 THR  
         HN     21 THR  HB     1334.90                
         HN     21 THR  QG2     418.80                
         HN     22 VAL  HN      105.78                
         HA     21 THR  HB      593.00                
         HA     21 THR  QG2     995.45                
         HA     22 VAL  HN      981.55                
         HA     22 VAL  HA      141.22                
         HA     22 VAL  HB      551.51                
         HA     22 VAL  QG2     187.40                
         HA    109 HEMC QM5     593.00                
         HA    109 HEMC HA63    126.46                
         HA    109 HEMC HGM      94.45                
         HB     21 THR  QG2    1966.54                
         HB     22 VAL  HN      227.90                
         QG2    22 VAL  HN      446.80                
         QG2    22 VAL  QG2     117.98                
         QG2    23 VAL  HA      128.91                
 22 VAL  
         HN     22 VAL  HA     2184.00                
         HN     22 VAL  HB      590.05                
         HN     22 VAL  QG1     646.72                
         HN     22 VAL  QG2     436.80                
         HN    109 HEMC QM5     172.37                
         HA     22 VAL  HB      812.75                
         HA     22 VAL  QG1     924.20                
         HA     22 VAL  QG2    1155.30                
         HA     23 VAL  HN     2359.00                
         HA     23 VAL  HA      127.24                
         HA     23 VAL  QG2     135.36                
         HA    109 HEMC HBM     102.22                
         HB     22 VAL  QG1     712.05                
         HB     22 VAL  QG2    1227.80                
         HB     23 VAL  HN      123.78                
         HB     68 TRP  HZ2     113.40                
         HB     86 HEMC HDM      92.70                
         HB    109 HEMC HBM     158.52                
         HB    109 HEMC QM5     675.86                
         HB    109 HEMC HGM      89.87                
         QG1    22 VAL  QG2    1333.09                
         QG1    23 VAL  HN      789.65                
         QG1    23 VAL  HA      292.80                
         QG1    24 PHE  HA      292.80                
         QG1    72 VAL  QG1     191.90                
         QG1    86 HEMC QM8    6000.00                
         QG1    86 HEMC HDM     242.40                
         QG1    86 HEMC QM1    1433.95                
         QG1   109 HEMC HA      637.15                
         QG1   109 HEMC HT4A    248.45                
         QG1   109 HEMC HBM     256.95                
         QG1   109 HEMC QM5    6000.00                
         QG1   110 HISH HN      161.95                
         QG2    23 VAL  HN      283.80                
         QG2    23 VAL  HA       91.94                
         QG2    68 TRP  HZ2      94.66                
         QG2    72 VAL  QG1      96.07                
         QG2    86 HEMC HDM      91.59                
         QG2    86 HEMC QM1     166.98                
         QG2   109 HEMC HN      123.47                
         QG2   109 HEMC HA      235.30                
         QG2   109 HEMC HB2     180.27                
         QG2   109 HEMC HB3     435.65                
         QG2   109 HEMC HT4A    162.89                
         QG2   109 HEMC HBM     259.40                
         QG2   109 HEMC QM5     783.52                
         QG2   109 HEMC HA63    207.73                
         QG2   109 HEMC HB62    308.73                
         QG2   109 HEMC HB63    308.73                
         QG2   109 HEMC HGM     124.74                
         QG2   110 HISH HN      101.30                
         QG2   110 HISH HD1     543.45                
         QG2   110 HISH HD2     117.15                
         QG2   110 HISH HE1     876.24                
         QG2   111 FPR  HD2     126.47                
         QG2   111 FPR  HD3     122.05                
 23 VAL  
         HN     23 VAL  HA      453.60                
         HN     23 VAL  HB     1172.00                
         HN     23 VAL  QG1     263.90                
         HN     23 VAL  QG2    1222.00                
         HN     24 PHE  HN      117.27                
         HA     23 VAL  HB      592.95                
         HA     23 VAL  QG1     789.93                
         HA     23 VAL  QG2     916.30                
         HA     24 PHE  HN     2265.00                
         HB     23 VAL  QG1    1828.58                
         HB     23 VAL  QG2    1589.50                
         HB     24 PHE  HN      142.90                
         QG1    24 PHE  HN      947.50                
         QG1    25 ASN  HD21    195.16                
         QG1    25 ASN  HD22    358.45                
         QG2    24 PHE  HN      187.50                
         QG2    24 PHE  HD2     108.39                
 24 PHE  
         HN     24 PHE  HA     2265.00                
         HN     24 PHE  HB2     378.45                
         HN     24 PHE  HB3     414.20                
         HN     24 PHE  HD1      84.73                
         HN     24 PHE  HD2     110.04                
         HA     24 PHE  HB2     553.94                
         HA     24 PHE  HB3     338.50                
         HA     24 PHE  HD2     435.45                
         HA     25 ASN  HN     1065.05                
         HA     29 HISH HE1     175.25                
         HA     86 HEMC HDM     147.33                
         HA     86 HEMC QM1    3246.00                
         HB2    24 PHE  HB3    1089.50                
         HB2    24 PHE  HD2     224.85                
         HB2    25 ASN  HN      154.12                
         HB2    86 HEMC QM8    1272.50                
         HB2    86 HEMC HDM     103.06                
         HB2    86 HEMC QM1     963.74                
         HB3    24 PHE  HD2     506.42                
         HD1    24 PHE  HD2     560.17                
         HD1    25 ASN  HA      104.29                
         HD1    29 HISH HD1     150.03                
         HD1    86 HEMC HDM     187.55                
         HD2    25 ASN  HN      149.69                
         HD2    25 ASN  HA       82.54                
         HD2    26 HISH HD1     116.97                
         HD2    29 HISH HE1     144.40                
         HD2    37 HEMC QM5     135.07                
         HD2    37 HEMC HB62    100.34                
         HD2    37 HEMC HB63    100.34                
         HD2    86 HEMC QM1     362.78                
         HE2    29 HISH HD1      97.97                
         HE2    37 HEMC HBM      97.39                
         HZ     29 HISH HD1     210.00                
         HZ     37 HEMC HT2A     96.01                
         HZ    109 HEMC QM5      95.30                
 25 ASN  
         HN     25 ASN  HB2     152.91                
         HN     25 ASN  HB3     385.10                
         HN     25 ASN  HD21    178.99                
         HN     25 ASN  HD22    143.92                
         HN     29 HISH HD1     105.81                
         HN     29 HISH HE1     124.11                
         HA     25 ASN  HB2    2434.50                
         HA     25 ASN  HB3     947.70                
         HA     25 ASN  HD21    194.89                
         HA     26 HISH HN      652.45                
         HA     26 HISH HD1     103.44                
         HA     28 THR  HN      117.41                
         HB2    25 ASN  HD21    895.85                
         HB2    25 ASN  HD22    319.20                
         HB2    26 HISH HN      104.26                
         HB2    27 SER  HN      895.85                
         HB2    28 THR  HN      202.18                
         HB2    28 THR  QG2     143.42                
         HB3    25 ASN  HD21    321.80                
         HB3    25 ASN  HD22    152.33                
         HB3    26 HISH HN      101.07                
         HB3    27 SER  HN      321.80                
         HB3    28 THR  HN      248.15                
         HB3    28 THR  HB       85.96                
         HB3    28 THR  QG2     123.73                
         HD21   25 ASN  HD22   3265.00                
         HD21   28 THR  QG2     114.00                
         HD21   29 HISH HD1      87.72                
         HD22   27 SER  HB2      99.94                
         HD22   27 SER  HB3      83.11                
         HD22   86 HEMC HB72    141.24                
 26 HISH 
         HN     26 HISH HA      734.00                
         HN     26 HISH HB2    1038.10                
         HN     26 HISH HB3     624.00                
         HN     26 HISH HD1     463.40                
         HN     26 HISH HE1     116.38                
         HN     27 SER  HN      772.05                
         HA     26 HISH HD1     204.50                
         HA     27 SER  HN      219.40                
         HA     28 THR  HN      177.88                
         HA     29 HISH HN      243.30                
         HA     29 HISH HB2     152.72                
         HA     29 HISH HD1     269.00                
         HB2    26 HISH HD1     434.50                
         HB2    27 SER  HN      183.30                
         HB3    26 HISH HD1     248.05                
         HB3    27 SER  HN      437.82                
         HD1    26 HISH HD2     122.93                
         HD1    26 HISH HE1     602.35                
         HD1    27 SER  HN      107.67                
         HD2    37 HEMC QM3     215.02                
         HD2    37 HEMC HDM      94.69                
         HD2    37 HEMC HT2A    169.34                
         HD2    37 HEMC QT2     217.24                
         HD2    37 HEMC HAM     277.14                
         HE1    37 HEMC HBM      98.44                
         HE1    37 HEMC QM5     115.24                
         HE1    37 HEMC HGM     165.51                
 27 SER  
         HN     27 SER  HA      464.25                
         HN     27 SER  HB2     272.15                
         HN     27 SER  HB3     363.65                
         HN     28 THR  HN      420.90                
         HN     29 HISH HN      354.22                
         HA     28 THR  HN      205.95                
         HA     29 HISH HN      169.26                
         HA     30 LYS+ HN      268.50                
         HA     30 LYS+ HA      100.94                
         HA     30 LYS+ HG3     136.54                
         HA     30 LYS+ HD2     114.53                
         HB2    28 THR  HN       90.98                
         HB3    28 THR  HN      118.21                
         HB3    30 LYS+ HD2      87.17                
 28 THR  
         HN     28 THR  HA      542.05                
         HN     28 THR  HB      847.25                
         HN     28 THR  QG2     236.00                
         HN     29 HISH HN     2167.00                
         HN     29 HISH HB2     110.85                
         HN     29 HISH HB3     105.86                
         HN     29 HISH HD1     222.10                
         HN     29 HISH HE1     111.54                
         HN     30 LYS+ HN      206.16                
         HA     28 THR  HB      468.17                
         HA     28 THR  QG2     786.25                
         HA     29 HISH HN      299.40                
         HA     30 LYS+ HN      220.83                
         HB     28 THR  QG2    1006.38                
         HB     29 HISH HN      459.60                
         HB     29 HISH HD1     603.10                
         HB     29 HISH HE1     263.29                
         HB     30 LYS+ HN      192.15                
         HB     86 HEMC HGM     106.48                
         QG2    29 HISH HN      210.55                
         QG2    29 HISH HD1     252.50                
         QG2    29 HISH HD2     113.88                
         QG2    29 HISH HE1     164.49                
         QG2    30 LYS+ HN      102.56                
         QG2    86 HEMC HBM      87.79                
         QG2    86 HEMC QM5     116.54                
         QG2    86 HEMC HA62    311.22                
         QG2    86 HEMC HA63    530.76                
         QG2    86 HEMC HB62    260.85                
         QG2    86 HEMC HB63    212.75                
         QG2    86 HEMC HGM     634.81                
         QG2    86 HEMC HA73    264.90                
         QG2    86 HEMC HB72    825.44                
         QG2    86 HEMC HB73    659.63                
         QG2    86 HEMC QM8     129.93                
         QG2    86 HEMC HDM      83.99                
 29 HISH 
         HN     29 HISH HA      503.45                
         HN     29 HISH HB2     692.25                
         HN     29 HISH HB3     311.55                
         HN     29 HISH HD1     531.70                
         HN     29 HISH HD2     475.35                
         HN     29 HISH HE1     124.52                
         HN     30 LYS+ HN      915.10                
         HN     30 LYS+ HA      151.63                
         HN     30 LYS+ HG2     122.68                
         HN     32 VAL  QG2     109.43                
         HN     86 HEMC HB72     97.25                
         HA     29 HISH HB2     555.00                
         HA     29 HISH HB3     805.15                
         HA     29 HISH HD1     134.08                
         HA     29 HISH HD2     412.35                
         HA     30 LYS+ HN      481.00                
         HA     31 ASP- HN      261.60                
         HA     32 VAL  HN      177.87                
         HA     32 VAL  HB      615.12                
         HA     32 VAL  QG2     475.75                
         HA     86 HEMC HBM      93.09                
         HB2    29 HISH HB3    2162.92                
         HB2    29 HISH HD1     519.70                
         HB2    29 HISH HD2     141.12                
         HB2    30 LYS+ HN      135.73                
         HB2    32 VAL  HB     1448.80                
         HB2    32 VAL  QG1     146.85                
         HB2    32 VAL  QG2     177.07                
         HB2    37 HEMC QM3    1375.29                
         HB2    37 HEMC HBM      93.83                
         HB3    29 HISH HD1    1265.00                
         HB3    29 HISH HD2     297.00                
         HB3    30 LYS+ HN      101.68                
         HB3    32 VAL  HN      161.22                
         HB3    32 VAL  QG2    1657.50                
         HB3    37 HEMC QT4     432.48                
         HB3    37 HEMC QM3     265.25                
         HD1    29 HISH HD2     224.10                
         HD1    29 HISH HE1     947.15                
         HD1    37 HEMC QT4     177.83                
         HD2    32 VAL  HB      210.61                
         HD2    37 HEMC HT4A    100.99                
         HD2    37 HEMC QM3      81.57                
         HD2    86 HEMC HT4A    173.52                
         HD2    86 HEMC HBM     240.68                
         HD2    86 HEMC HAM      91.77                
         HE1    37 HEMC QT4    1626.05                
         HE1    86 HEMC HDM     131.08                
 30 LYS+ 
         HN     30 LYS+ HA      964.65                
         HN     30 LYS+ HB2     637.70                
         HN     30 LYS+ HB3     637.70                
         HN     30 LYS+ HG2     947.80                
         HN     30 LYS+ HG3    1560.00                
         HN     30 LYS+ HD2     267.90                
         HN     30 LYS+ HD3     936.00                
         HN     31 ASP- HN      557.80                
         HN     31 ASP- HB3      94.50                
         HN     32 VAL  HN      155.74                
         HN     32 VAL  QG2    1560.00                
         HA     30 LYS+ HB2    2017.00                
         HA     30 LYS+ HB3    2017.00                
         HA     30 LYS+ HG2    1287.00                
         HA     30 LYS+ HG3     306.75                
         HA     30 LYS+ HD2     203.95                
         HA     30 LYS+ HD3     135.69                
         HA     31 ASP- HN      969.80                
         HA     31 ASP- HA      127.25                
         HA     32 VAL  HN     1768.35                
         HA     37 HEMC HT2A     85.51                
         HB2    31 ASP- HN     1085.25                
         HB3    31 ASP- HN     1085.25                
         HG2    31 ASP- HN      719.45                
         HG3    31 ASP- HN      588.95                
         HD3    31 ASP- HN      510.45                
         HD3    31 ASP- HA      138.07                
 31 ASP- 
         HN     31 ASP- HA     1346.00                
         HN     31 ASP- HB2     660.65                
         HN     31 ASP- HB3    1042.90                
         HN     32 VAL  HN     1192.50                
         HN     32 VAL  QG2     588.95                
         HA     31 ASP- HB2    1162.18                
         HA     31 ASP- HB3     959.95                
         HA     32 VAL  HN      592.25                
         HA     32 VAL  HA      123.71                
         HA     32 VAL  QG2     126.27                
         HB2    31 ASP- HB3    3546.50                
         HB2    32 VAL  HN      160.30                
         HB3    32 VAL  HN     1643.00                
 32 VAL  
         HN     32 VAL  HA      526.95                
         HN     32 VAL  HB     1643.00                
         HN     32 VAL  QG1     281.20                
         HN     32 VAL  QG2     990.35                
         HN     33 LYS+ HN      201.50                
         HN     37 HEMC QM3     237.20                
         HA     32 VAL  HB      340.76                
         HA     32 VAL  QG1     933.01                
         HA     32 VAL  QG2    1087.40                
         HA     33 LYS+ HN     2923.50                
         HA     86 HEMC HT4A    108.50                
         HA     86 HEMC HBM      88.29                
         HB     32 VAL  QG1     598.10                
         HB     32 VAL  QG2    1450.15                
         HB     33 LYS+ HN      976.05                
         HB     34 CYSH HA       90.48                
         HB     37 HEMC QM3    1254.69                
         HB     37 HEMC HAM     120.38                
         QG1    33 LYS+ HN      693.75                
         QG1    34 CYSH HA      138.56                
         QG1    36 ASP- HN      230.90                
         QG1    36 ASP- HB2     630.48                
         QG1    37 HEMC HN      687.00                
         QG1    37 HEMC QT4     496.15                
         QG1    37 HEMC QM3    1238.19                
         QG1    86 HEMC HT4A    158.61                
         QG1    86 HEMC HBM     112.43                
         QG2    33 LYS+ HN      249.00                
         QG2    37 HEMC QM3     551.75                
         QG2    86 HEMC HT4A    586.01                
         QG2    86 HEMC QT4     715.54                
         QG2    86 HEMC HBM     381.23                
         QG2    86 HEMC QM5     477.21                
 33 LYS+ 
         HN     33 LYS+ HA     2288.00                
         HN     33 LYS+ HB2    6708.00                
         HN     33 LYS+ HB3    6708.00                
         HN     33 LYS+ HG2    1059.00                
         HN     33 LYS+ HG3    1059.00                
         HN     33 LYS+ HD2     634.75                
         HN     33 LYS+ HD3     634.75                
         HN     36 ASP- HN      161.16                
         HN     36 ASP- HB2     271.87                
         HN     36 ASP- HB3     253.50                
         HA     33 LYS+ HB2     889.50                
         HA     33 LYS+ HB3     889.50                
         HA     33 LYS+ HG2     878.10                
         HA     33 LYS+ HG3     878.10                
         HA     33 LYS+ HD2     859.55                
         HA     33 LYS+ HD3     859.55                
         HA     34 CYSH HN     2123.00                
         HA     34 CYSH HA      134.92                
         HA     35 ASP- HN      188.20                
         HA     37 HEMC QM3     513.14                
         HA     37 HEMC HT2A    147.97                
         HA     37 HEMC HAM      94.69                
         HB2    33 LYS+ HE2     494.85                
         HB2    33 LYS+ HE3     494.85                
         HB2    34 CYSH HN     1311.75                
         HB2    35 ASP- HN      283.65                
         HB2    36 ASP- HN      289.25                
         HB3    33 LYS+ HE2     494.85                
         HB3    33 LYS+ HE3     494.85                
         HB3    34 CYSH HN     1311.75                
         HB3    35 ASP- HN      283.65                
         HB3    36 ASP- HN      289.25                
         HG2    34 CYSH HN      719.45                
         HG2    35 ASP- HN      259.25                
         HG2    36 ASP- HN      246.30                
         HG3    34 CYSH HN      719.45                
         HG3    35 ASP- HN      259.25                
         HG3    36 ASP- HN      246.30                
         HD2    34 CYSH HN      331.85                
         HD3    34 CYSH HN      331.85                
         HE2    35 ASP- HN      430.75                
         HE3    35 ASP- HN      430.75                
 34 CYSH 
         HN     34 CYSH HA      694.60                
         HN     34 CYSH HB2     509.95                
         HN     34 CYSH HB3     660.65                
         HN     35 ASP- HN      636.30                
         HN     36 ASP- HN      163.38                
         HN     37 HEMC QM3     157.45                
         HN     37 HEMC HT2A    387.45                
         HN     37 HEMC QT2     399.00                
         HN     37 HEMC HAM     255.30                
         HN     46 TYRF HQE1    114.40                
         HA     34 CYSH HB2     607.69                
         HA     34 CYSH HB3    1004.50                
         HA     35 ASP- HN      231.10                
         HA     35 ASP- HA       93.61                
         HA     36 ASP- HN      157.84                
         HA     37 HEMC HN      123.40                
         HA     37 HEMC HB2     166.23                
         HA     37 HEMC QM3     753.50                
         HA     37 HEMC QM1     115.97                
         HA     37 HEMC HT2A    851.59                
         HA     37 HEMC QT2     241.54                
         HA     37 HEMC HAM    1399.00                
         HA     38 HISH HN      141.15                
         HA     38 HISH HD2     267.30                
         HA     46 TYRF HQE1    135.31                
         HB2    34 CYSH HB3    2773.50                
         HB2    35 ASP- HN      620.45                
         HB2    35 ASP- HA      102.50                
         HB2    37 HEMC HT2A    350.55                
         HB2    37 HEMC QT2      95.62                
         HB2    37 HEMC HAM     200.05                
         HB2    38 HISH HD2     244.91                
         HB2    46 TYRF HQD1    101.02                
         HB2    46 TYRF HQE1    486.25                
         HB3    35 ASP- HN      430.75                
         HB3    35 ASP- HA      173.34                
         HB3    37 HEMC HDM     118.51                
         HB3    37 HEMC HT2A    189.20                
         HB3    37 HEMC HAM     233.75                
         HB3    38 HISH HN       96.30                
         HB3    38 HISH HB2     208.49                
         HB3    38 HISH HD2     510.35                
         HB3    46 TYRF HQD1    160.28                
         HB3    46 TYRF HQE1    872.95                
 35 ASP- 
         HN     35 ASP- HA      526.55                
         HN     35 ASP- HB2     662.45                
         HN     35 ASP- HB3     706.05                
         HN     36 ASP- HN      703.20                
         HN     37 HEMC HN      186.12                
         HN     38 HISH HN       89.38                
         HN     38 HISH HD2      84.40                
         HA     35 ASP- HB2    1010.55                
         HA     35 ASP- HB3    1402.22                
         HA     36 ASP- HN      257.90                
         HA     37 HEMC HN      505.75                
         HA     38 HISH HN      423.05                
         HA     38 HISH HA      243.37                
         HA     38 HISH HB2     307.75                
         HA     38 HISH HB3     248.40                
         HA     45 GLN  HG3      87.79                
         HA     45 GLN  HE21    380.55                
         HA     45 GLN  HE22    380.55                
         HA     46 TYRF HE1      87.54                
         HA     46 TYRF HE2      87.54                
         HB2    36 ASP- HN      245.42                
         HB2    39 HISH HA      170.74                
         HB2    45 GLN  HE21    593.35                
         HB2    45 GLN  HE22    593.35                
         HB3    36 ASP- HN      352.70                
         HB3    39 HISH HA      130.03                
         HB3    45 GLN  HE21    416.20                
         HB3    45 GLN  HE22    416.20                
 36 ASP- 
         HN     36 ASP- HA      821.25                
         HN     36 ASP- HB2     794.85                
         HN     36 ASP- HB3    1983.50                
         HN     37 HEMC HN     1197.50                
         HN     37 HEMC QM3     138.51                
         HN     38 HISH HN      291.05                
         HA     36 ASP- HB2    1102.52                
         HA     36 ASP- HB3     623.02                
         HA     37 HEMC HN      317.75                
         HA     80 LYS+ HD2      98.74                
         HB2    36 ASP- HB3    3039.50                
         HB2    37 HEMC HN      315.85                
         HB3    37 HEMC HN      515.45                
 37 HEMC 
         HN     37 HEMC HA      712.55                
         HN     37 HEMC HB2     699.15                
         HN     37 HEMC HB3     687.00                
         HN     37 HEMC QM3    3593.50                
         HN     38 HISH HN     1433.00                
         HN     38 HISH HB2     160.99                
         HN     38 HISH HD2     139.02                
         HN     54 HEMC QT2     127.44                
         HA     37 HEMC HB2     344.22                
         HA     37 HEMC HB3     651.64                
         HA     37 HEMC HT4A    119.25                
         HA     37 HEMC HBM      96.23                
         HA     38 HISH HN      271.35                
         HA     54 HEMC HT2A    217.25                
         HA     54 HEMC QT2     119.27                
         HA     80 LYS+ HD2     139.57                
         HA     80 LYS+ HE2     344.66                
         HA     80 LYS+ HE3     295.48                
         HB2    37 HEMC HT4A    257.39                
         HB2    37 HEMC QM3     215.02                
         HB2    37 HEMC HBM     182.93                
         HB2    37 HEMC HAM     277.14                
         HB2    38 HISH HN      592.75                
         HB2    54 HEMC QT2     333.35                
         HB3    37 HEMC HT4A    365.00                
         HB3    37 HEMC QM3    1238.19                
         HB3    37 HEMC HBM     255.12                
         HB3    37 HEMC HAM     139.41                
         HB3    38 HISH HN      258.95                
         HB3    54 HEMC HT2A    115.17                
         HB3    54 HEMC QT2     399.00                
         HT4A   54 HEMC QT2     162.46                
         HT4A   86 HEMC QM3     128.90                
         HT4A   86 HEMC HT2A    112.71                
         HT4A   86 HEMC QT2     202.49                
         HT4A   86 HEMC HAM     105.74                
         QT4    86 HEMC HT4A    103.73                
         QT4    86 HEMC QM3     581.25                
         QT4    86 HEMC HT2A    247.60                
         QT4    86 HEMC HAM     312.45                
         QM3    38 HISH HN      131.35                
         QM3    38 HISH HD2     217.59                
         HBM    38 HISH HD2      84.05                
         HBM    38 HISH HE1      95.78                
         HBM    54 HEMC QM1     803.20                
         HBM    54 HEMC QT2     248.47                
         HBM    68 TRP  HH2      85.90                
         HBM    86 HEMC QM3     101.22                
         HBM    86 HEMC HT2A     98.84                
         HBM    86 HEMC QT2     235.70                
         HBM    86 HEMC HAM      91.92                
         QM5    37 HEMC HA62    277.05                
         QM5    37 HEMC HA63    277.05                
         QM5    38 HISH HE1     524.65                
         QM5    54 HEMC QM1     422.83                
         QM5    54 HEMC HT2A    135.59                
         QM5    54 HEMC QT2     398.10                
         QM5    68 TRP  HZ3     146.40                
         QM5    68 TRP  HZ2     151.28                
         QM5    68 TRP  HH2     337.95                
         QM5    72 VAL  QG2      90.18                
         HA62   37 HEMC HB62   1451.98                
         HA62   37 HEMC HB63   1451.98                
         HA62   37 HEMC HGM     938.15                
         HA63   37 HEMC HB62   1451.98                
         HA63   37 HEMC HB63   1451.98                
         HA63   37 HEMC HGM     938.15                
         HB62   37 HEMC HGM     191.90                
         HB63   37 HEMC HGM     191.90                
         HB63   49 CYSH HN      149.06                
         HGM    37 HEMC HA72    808.75                
         HGM    37 HEMC HA73    675.50                
         HGM    37 HEMC HB72    193.81                
         HGM    37 HEMC HB73    193.61                
         HGM    38 HISH HE1     148.84                
         HGM    54 HEMC QT2      93.20                
         HA72   37 HEMC HB73    721.95                
         HA72   37 HEMC QM8     811.61                
         HA73   37 HEMC HB73    396.55                
         HA73   37 HEMC QM8     436.59                
         HA73   37 HEMC HDM      85.16                
         QM8    46 TYRF HB3     785.70                
         QM8    46 TYRF HE1     287.65                
         QM8    46 TYRF HE2     287.65                
         QM8    46 TYRF HQD1    278.15                
         HDM    38 HISH HD2     102.97                
         HDM    46 TYRF HB2     118.12                
         HDM    46 TYRF HB3     102.91                
         HDM    46 TYRF HQD1    335.46                
         HDM    46 TYRF HQE1   3008.00                
         QM1    38 HISH HD2     107.75                
         QM1    46 TYRF HQD1    224.80                
         QM1    46 TYRF HQE1    776.40                
         HT2A   38 HISH HD2     123.11                
         HT2A   46 TYRF HQE1    116.71                
         QT2    38 HISH HD2     109.90                
         QT2    46 TYRF HE1      88.63                
         QT2    46 TYRF HE2      88.63                
         HAM    38 HISH HD2     140.64                
         HAM    46 TYRF HQE1     87.79                
 38 HISH 
         HN     38 HISH HA      294.90                
         HN     38 HISH HB2     754.15                
         HN     38 HISH HB3     684.85                
         HN     38 HISH HD1      99.54                
         HN     38 HISH HD2     684.85                
         HN     46 TYRF HQE1    140.27                
         HN     54 HEMC QT2     170.35                
         HA     38 HISH HB2     343.66                
         HA     38 HISH HB3     667.49                
         HA     38 HISH HD1     376.30                
         HA     39 HISH HD2     229.40                
         HA     45 GLN  HG3     111.14                
         HA     46 TYRF HD1     103.42                
         HA     46 TYRF HD2     103.42                
         HA     54 HEMC QT2     389.51                
         HA     54 HEMC HAM     133.47                
         HB2    38 HISH HD1     237.10                
         HB2    45 GLN  HE21    192.27                
         HB2    45 GLN  HE22    192.27                
         HB2    46 TYRF HA      103.22                
         HB2    46 TYRF HQD1    194.07                
         HB2    46 TYRF HQE1    281.75                
         HB3    38 HISH HD1     340.70                
         HB3    45 GLN  HG3     279.59                
         HB3    45 GLN  HE21    115.90                
         HB3    45 GLN  HE22    115.90                
         HB3    46 TYRF HA      323.48                
         HD1    38 HISH HD2     340.70                
         HD1    38 HISH HE1     685.65                
         HD1    46 TYRF HA      384.90                
         HD1    46 TYRF HB2      95.01                
         HD1    46 TYRF HQD1    133.68                
         HD1    54 HEMC HT2A    138.32                
         HD1    54 HEMC QT2     343.70                
         HD1    54 HEMC HAM     105.59                
         HD2    38 HISH HE1     464.49                
         HD2    46 TYRF HQD1    295.97                
         HD2    46 TYRF HQE1    502.35                
         HE1    46 TYRF HQD1    122.83                
         HE1    46 TYRF HQE1    237.85                
         HE1    54 HEMC HT2A     88.73                
         HE1    54 HEMC QT2     541.75                
 39 HISH 
         HA     39 HISH HB2     932.10                
         HA     39 HISH HB3    1123.18                
         HA     40 GLN  HN      376.05                
         HA     45 GLN  HE21    260.14                
         HA     45 GLN  HE22    260.14                
         HA     80 LYS+ HD2     111.31                
         HA     80 LYS+ HD3     108.02                
         HB2    39 HISH HB3    2111.05                
         HB3    80 LYS+ HD2     217.25                
         HB3    80 LYS+ HD3     165.69                
         HD2    40 GLN  HG2     109.17                
         HD2    54 HEMC HGM      89.13                
         HD2    54 HEMC HDM     122.02                
         HD2    54 HEMC HT2A    185.67                
         HD2    54 HEMC QT2     252.38                
         HD2    54 HEMC HAM     160.11                
         HD2    80 LYS+ HD2     690.53                
         HD2    80 LYS+ HD3     171.06                
         HE1    40 GLN  HG2     136.79                
         HE1    54 HEMC HBM      95.87                
         HE1    54 HEMC HGM     196.00                
         HE1    54 HEMC HDM      88.83                
         HE1    80 LYS+ HD2     145.86                
         HE1    80 LYS+ HD3     158.03                
 40 GLN  
         HN     40 GLN  HA      383.60                
         HN     40 GLN  HB2    1248.00                
         HN     40 GLN  HB3     349.85                
         HN     40 GLN  HG2     257.40                
         HN     40 GLN  HG3     227.85                
         HN     40 GLN  HE22    390.60                
         HN     45 GLN  HA      141.54                
         HN     54 HEMC QM3     130.05                
         HA     40 GLN  HB2     478.66                
         HA     40 GLN  HB3    1059.71                
         HA     40 GLN  HG2     327.85                
         HA     40 GLN  HG3     347.25                
         HA     41 FPR  HD2    1118.25                
         HA     41 FPR  HD3    1118.25                
         HB2    40 GLN  HB3    1646.74                
         HB2    40 GLN  HG2     403.30                
         HB2    54 HEMC QT4     706.55                
         HB2    54 HEMC QM3     175.78                
         HB2    54 HEMC HBM      90.75                
         HB3    40 GLN  HG2     441.17                
         HB3    41 FPR  HD2     327.60                
         HB3    41 FPR  HD3     327.60                
         HB3    44 LYS+ HB3      90.47                
         HB3    54 HEMC QT4     423.72                
         HG2    40 GLN  HG3    2347.00                
         HG2    40 GLN  HE21    210.80                
         HG2    40 GLN  HE22    163.64                
         HG2    41 FPR  HD2     114.03                
         HG2    41 FPR  HD3     114.03                
         HG2    47 ALA  HN       88.54                
         HG2    54 HEMC HT4A    131.70                
         HG2    54 HEMC QT4     299.70                
         HG2    54 HEMC QM3     133.33                
         HG2    54 HEMC HBM      94.10                
         HG2    54 HEMC QM5     106.03                
         HG2    54 HEMC HAM      81.03                
         HG3    40 GLN  HE21    182.24                
         HG3    54 HEMC HT4A    171.16                
         HG3    54 HEMC QT4     660.36                
         HG3    54 HEMC HBM     195.20                
         HE21   40 GLN  HE22   3731.50                
         HE21   54 HEMC HT4A     87.75                
         HE21   54 HEMC QT4     180.45                
         HE21   54 HEMC HBM     127.40                
         HE21   54 HEMC QM5     360.15                
         HE22   54 HEMC HT4A    106.64                
         HE22   54 HEMC QT4     245.55                
 41 FPR  
         HD2    41 FPR  HA      313.45                
         HD2    41 FPR  HB3     616.30                
         HD3    41 FPR  HA      313.45                
         HD3    41 FPR  HB3     616.30                
         HG2    41 FPR  HA      101.22                
         HG2    44 LYS+ HN       85.43                
         HG2    54 HEMC QM3      96.99                
         HG3    41 FPR  HA      101.22                
         HG3    44 LYS+ HN       85.43                
         HG3    54 HEMC QM3      96.99                
         HA     41 FPR  HB2     900.00                
         HA     41 FPR  HB3    6000.00                
         HA     42 GLY  HN     1777.50                
         HA     45 GLN  HG3     152.86                
         HA     45 GLN  HE21    136.74                
         HA     45 GLN  HE22    136.74                
         HA     47 ALA  HN       88.57                
         HB2    42 GLY  HN      378.00                
         HB3    42 GLY  HN     1429.50                
 42 GLY  
         HN     42 GLY  HA1     435.40                
         HN     42 GLY  HA2     943.05                
         HN     45 GLN  HN       95.12                
         HA1    42 GLY  HA2    4673.50                
         HA2    44 LYS+ HG2     105.49                
         HA2    47 ALA  QB      154.24                
 44 LYS+ 
         HN     44 LYS+ HA      387.60                
         HN     44 LYS+ HB3     734.70                
         HN     44 LYS+ HG3     930.00                
         HN     44 LYS+ HD2     155.40                
         HN     44 LYS+ HD3     155.40                
         HN     45 GLN  HN      466.20                
         HA     44 LYS+ HB2    3322.50                
         HA     44 LYS+ HB3     869.28                
         HA     44 LYS+ HG2     476.65                
         HA     44 LYS+ HG3     581.25                
         HA     44 LYS+ HD2     441.46                
         HA     44 LYS+ HD3     441.46                
         HA     45 GLN  HN      805.80                
         HA     46 TYRF HN      229.65                
         HB2    44 LYS+ HB3    3075.50                
         HB2    45 GLN  HN     1292.50                
         HB3    44 LYS+ HG2     455.25                
         HB3    44 LYS+ HG3     868.00                
         HB3    44 LYS+ HD2     624.75                
         HB3    44 LYS+ HD3     624.75                
         HB3    45 GLN  HN      263.95                
         HG2    45 GLN  HN      118.75                
         HG2    47 ALA  HN      118.75                
         HG3    44 LYS+ HE2     343.50                
         HG3    44 LYS+ HE3     343.50                
         HG3    45 GLN  HN       94.68                
 45 GLN  
         HN     45 GLN  HA      936.40                
         HN     45 GLN  HB2     998.55                
         HN     45 GLN  HB3     698.05                
         HN     45 GLN  HG2     166.52                
         HN     45 GLN  HG3     194.05                
         HN     46 TYRF HN     1004.30                
         HN     46 TYRF HQD2    164.30                
         HA     45 GLN  HB2     879.72                
         HA     45 GLN  HB3     411.95                
         HA     45 GLN  HG2     906.59                
         HA     45 GLN  HG3     430.30                
         HA     45 GLN  HE21    105.98                
         HA     45 GLN  HE22    105.98                
         HA     46 TYRF HN      738.45                
         HB2    45 GLN  HG3     563.11                
         HB2    45 GLN  HE21    206.90                
         HB2    45 GLN  HE22    206.90                
         HB2    46 TYRF HQD2    149.87                
         HB3    45 GLN  HG3     978.00                
         HB3    46 TYRF HN      629.75                
         HB3    46 TYRF HE1     169.64                
         HB3    46 TYRF HE2     169.64                
         HB3    46 TYRF HQD2    350.45                
         HG2    45 GLN  HG3    1797.00                
         HG2    45 GLN  HE21    486.90                
         HG2    45 GLN  HE22    486.90                
         HG2    46 TYRF HD1     238.66                
         HG2    46 TYRF HD2     238.66                
         HG2    46 TYRF HE1     656.11                
         HG2    46 TYRF HE2     656.11                
         HG3    45 GLN  HE21    658.15                
         HG3    45 GLN  HE22    658.15                
         HG3    46 TYRF HN      181.03                
         HG3    46 TYRF HQD2    208.75                
         HG3    46 TYRF HQE2    172.93                
         HE21   46 TYRF HE1     192.35                
         HE21   46 TYRF HE2     192.35                
         HE22   46 TYRF HE1     192.35                
         HE22   46 TYRF HE2     192.35                
 46 TYRF 
         HN     46 TYRF HA      738.45                
         HN     46 TYRF HB2     339.60                
         HN     46 TYRF HB3    1399.00                
         HN     46 TYRF HQD2    537.95                
         HN     46 TYRF HQE2    236.90                
         HN     47 ALA  HN     1004.30                
         HA     46 TYRF HB2     445.65                
         HA     46 TYRF HB3     785.70                
         HA     46 TYRF HD1     763.35                
         HA     46 TYRF HD2     763.35                
         HA     46 TYRF HE1     287.65                
         HA     46 TYRF HE2     287.65                
         HA     47 ALA  HN      936.40                
         HB2    46 TYRF HB3    2763.50                
         HB2    46 TYRF HD1     936.96                
         HB2    46 TYRF HD2     936.96                
         HB2    46 TYRF HE1     175.26                
         HB2    46 TYRF HE2     175.26                
         HB2    47 ALA  HN      168.48                
         HB3    46 TYRF HD1    1088.32                
         HB3    46 TYRF HD2    1088.32                
         HB3    46 TYRF HE1     143.96                
         HB3    46 TYRF HE2     143.96                
         HB3    47 ALA  HN      263.95                
         HD1    46 TYRF HE1    2363.09                
         HD1    46 TYRF HE2    2363.09                
         HD2    46 TYRF HE1    2363.09                
         HD2    46 TYRF HE2    2363.09                
 47 ALA  
         HN     47 ALA  HA      805.80                
         HN     47 ALA  QB     1292.50                
         HN     48 GLY  HN      875.55                
         HN     54 HEMC QM3     936.40                
         HA     47 ALA  QB     3197.92                
         HA     48 GLY  HN     1608.50                
         QB     48 GLY  HN      713.95                
         QB     51 THR  HN      140.96                
         QB     51 THR  HA      900.00                
         QB     51 THR  HB      390.00                
         QB     54 HEMC QM3    1177.59                
         QB     54 HEMC HT2A    116.50                
         QB     54 HEMC HAM      99.55                
 48 GLY  
         HN     48 GLY  HA1    1608.50                
         HN     48 GLY  HA2     975.35                
         HN     51 THR  QG2     181.13                
         HA1    48 GLY  HA2    4789.00                
         HA1    49 CYSH HN     1403.05                
         HA2    49 CYSH HN      519.85                
 49 CYSH 
         HN     49 CYSH HA      468.80                
         HN     49 CYSH HB2     503.90                
         HN     49 CYSH HB3     241.70                
         HN     50 THR  HN      566.95                
         HN     50 THR  QG2     123.32                
         HN     51 THR  HN      170.62                
         HN     54 HEMC QM3     166.60                
         HN     54 HEMC HT2A    187.20                
         HN     54 HEMC QT2     129.71                
         HN     54 HEMC HAM     138.93                
         HN     55 HISH HD2      86.92                
         HN     68 TRP  HH2      83.89                
         HA     49 CYSH HB3    3168.16                
         HA     50 THR  HN      627.20                
         HA     50 THR  QG2     131.78                
         HA     51 THR  HN      160.36                
         HA     54 HEMC QM3     487.59                
         HA     54 HEMC HT2A    618.05                
         HA     54 HEMC QT2     121.59                
         HA     54 HEMC HAM     785.35                
         HA     55 HISH HD2     288.39                
         HA     68 TRP  HE3      97.07                
         HA     68 TRP  HZ3     169.35                
         HA     68 TRP  HH2     123.06                
         HB2    49 CYSH HB3    2317.00                
         HB2    50 THR  HN      296.65                
         HB2    50 THR  QG2     327.83                
         HB2    54 HEMC HT2A    163.75                
         HB2    54 HEMC HAM      93.15                
         HB2    55 HISH HD2     208.89                
         HB2    68 TRP  HE3     142.88                
         HB2    68 TRP  HZ3     432.70                
         HB2    68 TRP  HH2     164.82                
         HB2    71 VAL  QG2     112.55                
         HB2    90 LYS+ HE2     180.15                
         HB2    90 LYS+ HE3     180.15                
         HB3    50 THR  HN      219.05                
         HB3    50 THR  QG2     210.85                
         HB3    54 HEMC HT2A    166.61                
         HB3    54 HEMC HAM     193.50                
         HB3    55 HISH HD2     522.85                
         HB3    68 TRP  HE3     182.54                
         HB3    68 TRP  HZ3     556.13                
         HB3    68 TRP  HH2     155.19                
         HB3    71 VAL  QG2     128.42                
 50 THR  
         HN     50 THR  HA      285.90                
         HN     50 THR  HB      182.15                
         HN     50 THR  QG2     845.00                
         HN     51 THR  HN      337.25                
         HA     50 THR  HB     1660.33                
         HA     50 THR  QG2     819.80                
         HA     51 THR  HN      405.10                
         HA     55 HISH HN      385.40                
         HA     55 HISH HD2     377.09                
         HA     56 ASN  HA      457.90                
         HA     68 TRP  HE3     116.58                
         HB     50 THR  QG2    1278.99                
         HB     56 ASN  HA      480.80                
         HB     58 LEU  QD1      81.28                
         HB     58 LEU  QD2     399.25                
         HB     68 TRP  HD1      95.76                
         QG2    51 THR  HN      170.13                
         QG2    55 HISH HN      105.29                
         QG2    55 HISH HB2     191.40                
         QG2    55 HISH HB3     137.70                
         QG2    55 HISH HD2     187.16                
         QG2    56 ASN  HA      165.71                
         QG2    58 LEU  QD1     143.18                
         QG2    58 LEU  QD2     586.45                
         QG2    68 TRP  HN      108.65                
         QG2    68 TRP  HA      168.08                
         QG2    68 TRP  HB2     731.75                
         QG2    68 TRP  HB3     314.25                
         QG2    68 TRP  HD1     199.34                
         QG2    68 TRP  HE3     303.65                
         QG2    68 TRP  HE1     164.63                
         QG2    68 TRP  HZ3     164.52                
         QG2    68 TRP  HZ2      96.75                
         QG2    68 TRP  HH2     118.80                
 51 THR  
         HN     51 THR  HA      575.55                
         HN     51 THR  HB      873.35                
         HN     51 THR  QG2     395.80                
         HN     52 ASP- HN      135.29                
         HN     54 HEMC HB2     231.35                
         HN     54 HEMC QM3     405.10                
         HN     55 HISH HN      288.50                
         HN     55 HISH HB2     139.21                
         HN     56 ASN  HD21    205.97                
         HA     51 THR  HB     1026.20                
         HA     51 THR  QG2    1069.25                
         HA     52 ASP- HN     2154.20                
         HA     52 ASP- HB2     101.75                
         HA     52 ASP- HB3     101.75                
         HA     56 ASN  HA     1026.20                
         HB     51 THR  QG2    1174.44                
         HB     52 ASP- HN      353.10                
         HB     54 HEMC HN      654.65                
         HB     54 HEMC HB2     622.40                
         HB     54 HEMC QM3     457.90                
         QG2    52 ASP- HN      660.40                
         QG2    52 ASP- HA     1259.50                
         QG2    52 ASP- HB2     226.39                
         QG2    52 ASP- HB3     226.39                
         QG2    54 HEMC HN      298.05                
         QG2    54 HEMC HB2     138.89                
         QG2    54 HEMC QM3     395.90                
 52 ASP- 
         HN     52 ASP- HA      344.40                
         HN     52 ASP- HB2    2165.45                
         HN     52 ASP- HB3    2165.45                
         HN     53 GLY  HN      129.35                
         HA     52 ASP- HB2    1843.89                
         HA     52 ASP- HB3    1843.89                
         HA     53 GLY  HN     1390.90                
         HA     54 HEMC HN      654.65                
         HA     56 ASN  HB2     395.70                
         HA     56 ASN  HB3     473.79                
         HA     56 ASN  HD21    897.40                
         HA     56 ASN  HD22    584.10                
         HB2    53 GLY  HN      374.00                
         HB3    53 GLY  HN      374.00                
 53 GLY  
         HN     53 GLY  HA1     872.05                
         HN     53 GLY  HA2     679.35                
         HN     54 HEMC HN      600.85                
         HN     56 ASN  HB2     118.35                
         HN     56 ASN  HB3     143.87                
         HN     56 ASN  HD21    113.41                
         HN     56 ASN  HD22    194.67                
         HA1    53 GLY  HA2    4673.50                
         HA1    54 HEMC HN      387.60                
         HA2    54 HEMC HN      435.40                
         HA2    56 ASN  HD21    105.64                
 54 HEMC 
         HN     54 HEMC HA      654.65                
         HN     54 HEMC HB2     551.20                
         HN     54 HEMC HB3     170.62                
         HN     54 HEMC HT4A    134.51                
         HN     55 HISH HN      252.05                
         HN     56 ASN  HN      232.05                
         HN     56 ASN  HB2     126.51                
         HN     56 ASN  HB3     578.80                
         HN     56 ASN  HD21     89.31                
         HA     54 HEMC HB2     622.40                
         HA     54 HEMC HB3    2426.99                
         HA     54 HEMC HT4A   1060.09                
         HA     54 HEMC HBM     765.89                
         HA     54 HEMC QM5     215.26                
         HA     55 HISH HN      584.10                
         HA     66 ASN  HD21    100.94                
         HA     66 ASN  HD22    160.58                
         HB2    54 HEMC HB3    2210.59                
         HB2    54 HEMC QM3     180.79                
         HB2    54 HEMC HBM     142.51                
         HB2    55 HISH HN     1265.00                
         HB2    55 HISH HD2      90.52                
         HB2    56 ASN  HN      253.80                
         HB3    54 HEMC HT4A    237.85                
         HB3    54 HEMC QM3     218.36                
         HB3    54 HEMC HBM     191.75                
         HB3    54 HEMC HAM     134.36                
         HB3    55 HISH HN     1514.50                
         HB3    55 HISH HD2     464.49                
         QM3    55 HISH HD2     377.09                
         HBM    54 HEMC HA62    102.01                
         HBM    55 HISH HE1     195.20                
         QM5    54 HEMC HA62    933.55                
         QM5    54 HEMC HA63    365.99                
         QM5    55 HISH HE1     114.61                
         QM5    65 VAL  QG2     244.14                
         QM5    66 ASN  HD21    220.30                
         QM5    66 ASN  HD22    161.07                
         HA62   54 HEMC HA63   2764.00                
         HA62   54 HEMC HB63    554.57                
         HA62   54 HEMC HGM     696.79                
         HA62   65 VAL  QG1     194.05                
         HA62   65 VAL  QG2     264.60                
         HA63   54 HEMC HB62    553.35                
         HA63   54 HEMC HB63    392.85                
         HA63   54 HEMC HGM    2140.00                
         HA63   55 HISH HE1     133.75                
         HA63   65 VAL  QG1     232.72                
         HA63   65 VAL  QG2     656.76                
         HB62   54 HEMC HGM     448.54                
         HB62   65 VAL  QG2     136.71                
         HB62   79 ALA  QB     1026.40                
         HB63   54 HEMC HGM     322.85                
         HB63   65 VAL  QG2     124.88                
         HB63   79 ALA  QB      336.45                
         HGM    54 HEMC HA72   2140.00                
         HGM    54 HEMC HA73    605.85                
         HGM    54 HEMC HB72    448.54                
         HGM    54 HEMC HB73    686.30                
         HGM    55 HISH HE1     596.10                
         HGM    65 VAL  HA       86.81                
         HGM    65 VAL  HB       99.71                
         HGM    65 VAL  QG1     162.59                
         HGM    65 VAL  QG2     281.10                
         HGM    71 VAL  QG1     119.04                
         HGM    78 GLY  HA2      86.46                
         HGM    79 ALA  QB      237.30                
         HGM    80 LYS+ HN      111.06                
         HGM    80 LYS+ HG2     118.95                
         HGM    80 LYS+ HG3     107.26                
         HGM    80 LYS+ HD3      89.81                
         HA72   54 HEMC HA73   1560.24                
         HA72   54 HEMC HB72    553.35                
         HA72   54 HEMC HB73    641.90                
         HA72   54 HEMC QM8     728.25                
         HA72   65 VAL  QG2     656.76                
         HA72   71 VAL  QG1     119.93                
         HA72   79 ALA  HN      119.56                
         HA72   79 ALA  QB     3197.92                
         HA72   80 LYS+ HN      275.85                
         HA72   80 LYS+ HG3     255.95                
         HA73   54 HEMC HB72   2377.50                
         HA73   54 HEMC HB73   2180.75                
         HA73   54 HEMC QM8     945.20                
         HA73   79 ALA  HN      122.33                
         HA73   80 LYS+ HN      317.30                
         HA73   80 LYS+ HG2     178.43                
         HA73   80 LYS+ HG3     286.85                
         HA73   80 LYS+ HD3     126.56                
         HB72   54 HEMC HB73   3818.50                
         HB72   71 VAL  HN      134.80                
         HB72   71 VAL  QG1     467.79                
         HB72   71 VAL  QG2     122.87                
         HB73   65 VAL  QG2     487.05                
         HB73   71 VAL  QG1     508.30                
         HB73   71 VAL  QG2     268.06                
         QM8    71 VAL  HA      468.83                
         QM8    71 VAL  HB      841.78                
         QM8    71 VAL  QG1     424.74                
         QM8    71 VAL  QG2     241.00                
         QM8    80 LYS+ HG2     332.50                
         QM8    80 LYS+ HG3     369.03                
         QM8    80 LYS+ HD2      99.29                
         QM8    80 LYS+ HD3     130.40                
         QM8    80 LYS+ HE3     272.50                
         QM8    82 THR  HN      111.62                
         QM8    82 THR  HA      504.50                
         QM8    82 THR  HB      811.61                
         QM8    82 THR  QG2     945.00                
         HDM    55 HISH HD2     112.76                
         HDM    55 HISH HE1     100.49                
         HDM    68 TRP  HE3      90.26                
         HDM    68 TRP  HZ3     126.29                
         HDM    68 TRP  HH2      86.13                
         HDM    71 VAL  HN       97.56                
         HDM    71 VAL  HA      586.30                
         HDM    71 VAL  HB      540.00                
         HDM    71 VAL  QG1     217.55                
         HDM    71 VAL  QG2     281.10                
         HDM    72 VAL  QG2      94.34                
         HDM    80 LYS+ HG3     102.12                
         HDM    80 LYS+ HD2      86.77                
         HDM    80 LYS+ HD3      95.33                
         HDM    80 LYS+ HE2     115.02                
         HDM    80 LYS+ HE3     174.45                
         HDM    82 THR  HA       90.88                
         HDM    82 THR  QG2     185.06                
         HDM    86 HEMC QT2     145.50                
         QM1    68 TRP  HE3     165.65                
         QM1    68 TRP  HZ3     809.55                
         QM1    68 TRP  HZ2     113.76                
         QM1    68 TRP  HH2     250.70                
         QM1    71 VAL  QG1      90.33                
         QM1    71 VAL  QG2     265.50                
         QM1    72 VAL  QG2     163.51                
         QM1    82 THR  HA      112.71                
         QM1    86 HEMC QT2     635.00                
         QM1    86 HEMC HAM      87.80                
         HT2A   55 HISH HD2     149.63                
         HT2A   68 TRP  HZ3      96.25                
         QT2    68 TRP  HZ3     320.00                
         QT2    68 TRP  HH2     113.66                
         QT2    86 HEMC QT2     155.46                
         HAM    55 HISH HD2     141.41                
         HAM    68 TRP  HZ3      88.69                
 55 HISH 
         HN     55 HISH HA      260.80                
         HN     55 HISH HB2    1514.50                
         HN     55 HISH HB3     150.16                
         HN     55 HISH HD2     684.85                
         HN     56 ASN  HN      341.45                
         HA     55 HISH HB2     393.46                
         HA     55 HISH HB3     587.74                
         HA     55 HISH HD1     512.45                
         HA     55 HISH HE1      98.00                
         HA     56 ASN  HN      762.80                
         HA     57 ILE  HN      199.95                
         HA     66 ASN  HD21    715.15                
         HA     66 ASN  HD22    577.14                
         HA     68 TRP  HE3     125.60                
         HA     71 VAL  QG2      97.71                
         HB2    55 HISH HD1    1616.50                
         HB2    55 HISH HD2     464.49                
         HB2    56 ASN  HN      307.40                
         HB2    68 TRP  HE3     337.35                
         HB2    68 TRP  HZ3     130.01                
         HB2    71 VAL  QG2     195.10                
         HB3    55 HISH HD1     408.85                
         HB3    56 ASN  HN      234.65                
         HB3    68 TRP  HN      217.35                
         HB3    68 TRP  HA      356.80                
         HB3    68 TRP  HE3     378.86                
         HB3    68 TRP  HZ3      97.33                
         HB3    71 VAL  HN       97.85                
         HB3    71 VAL  QG2     230.20                
         HD1    55 HISH HD2     134.68                
         HD1    55 HISH HE1    1153.00                
         HD1    65 VAL  HA      552.75                
         HD1    65 VAL  QG2     394.80                
         HD1    66 ASN  HN      875.55                
         HD1    66 ASN  HA      998.45                
         HD1    66 ASN  HB3     154.58                
         HD1    66 ASN  HD21    123.89                
         HD1    66 ASN  HD22    146.27                
         HD1    71 VAL  QG1     614.70                
         HD1    71 VAL  QG2     272.90                
         HD2    68 TRP  HE3     118.60                
         HD2    68 TRP  HZ3     148.60                
         HD2    68 TRP  HH2      86.18                
         HD2    71 VAL  QG1      83.83                
         HD2    71 VAL  QG2     168.54                
         HE1    65 VAL  HA      108.76                
         HE1    66 ASN  HA       99.85                
         HE1    71 VAL  QG1     641.45                
         HE1    71 VAL  QG2     170.19                
 56 ASN  
         HN     56 ASN  HA     1176.00                
         HN     56 ASN  HB2     281.00                
         HN     56 ASN  HB3    1716.00                
         HN     56 ASN  HD21    115.03                
         HN     57 ILE  HN      732.75                
         HN     57 ILE  HB      693.30                
         HN     57 ILE  HG12    295.05                
         HN     57 ILE  QD1     241.35                
         HA     56 ASN  HB2    1206.50                
         HA     56 ASN  HB3    1191.20                
         HA     56 ASN  HD21   1257.42                
         HA     56 ASN  HD22    705.65                
         HA     57 ILE  HN      805.05                
         HA     57 ILE  HG12   1500.00                
         HA     58 LEU  HG      416.35                
         HA     58 LEU  QD1    1500.00                
         HA     58 LEU  QD2     237.45                
         HB2    56 ASN  HB3    2789.00                
         HB2    56 ASN  HD21    642.00                
         HB2    56 ASN  HD22    352.95                
         HB2    57 ILE  HN      369.49                
         HB2    57 ILE  HA     1206.50                
         HB3    56 ASN  HD21    404.80                
         HB3    56 ASN  HD22    185.48                
         HB3    57 ILE  HN      134.21                
         HD21   56 ASN  HD22   2407.50                
         HD21   57 ILE  QD1     105.48                
         HD22   57 ILE  HG12    100.82                
         HD22   57 ILE  QD1     115.32                
 57 ILE  
         HN     57 ILE  HA      805.05                
         HN     57 ILE  HB      860.70                
         HN     57 ILE  QG2     694.00                
         HN     57 ILE  HG13    694.00                
         HN     57 ILE  QD1     220.30                
         HN     58 LEU  HN      152.70                
         HN     66 ASN  HB3     351.90                
         HN     67 SER  HN      732.75                
         HN     67 SER  HG      118.58                
         HN     68 TRP  HN      192.25                
         HN     68 TRP  HB2     147.30                
         HA     57 ILE  QG2    1441.00                
         HA     57 ILE  HG12   1500.00                
         HA     57 ILE  HG13   1441.00                
         HA     57 ILE  QD1     497.40                
         HA     58 LEU  HN     1426.90                
         HA     58 LEU  HG      203.10                
         HA     58 LEU  QD2     237.45                
         HB     57 ILE  QD1     444.90                
         HB     66 ASN  HN      693.30                
         HB     67 SER  HG       80.60                
         HB     68 TRP  HN      304.35                
         QG2    57 ILE  QD1    3018.00                
         QG2    58 LEU  HN      659.80                
         QG2    59 ASP- HN     1497.00                
         QG2    59 ASP- HB2     965.10                
         QG2    59 ASP- HB3     261.53                
         QG2    62 ASP- HN      200.60                
         QG2    62 ASP- HA      213.39                
         QG2    62 ASP- HB2     965.10                
         QG2    62 ASP- HB3     506.70                
         QG2    67 SER  HA      391.86                
         QG2    68 TRP  HN      134.57                
         HG12   57 ILE  QD1    1027.25                
         HG12   66 ASN  HB3     411.32                
         HG13   57 ILE  QD1    3212.00                
         HG13   66 ASN  HB3     361.92                
         HG13   67 SER  HA      551.86                
         QD1    62 ASP- HB3     158.98                
         QD1    64 SER  HN      139.24                
         QD1    66 ASN  HN      241.35                
         QD1    66 ASN  HA      105.83                
         QD1    66 ASN  HB2     460.93                
         QD1    66 ASN  HB3     462.22                
         QD1    66 ASN  HD21    138.83                
         QD1    67 SER  HA      177.05                
         QD1    67 SER  HG      115.12                
 58 LEU  
         HN     58 LEU  HA      304.65                
         HN     58 LEU  HB2     548.70                
         HN     58 LEU  HB3     548.70                
         HN     58 LEU  HG      521.90                
         HN     58 LEU  QD1     209.10                
         HN     58 LEU  QD2     313.55                
         HN     59 ASP- HN     1029.90                
         HA     58 LEU  HB2     869.81                
         HA     58 LEU  HB3     869.81                
         HA     58 LEU  HG      397.85                
         HA     58 LEU  QD1     424.00                
         HA     58 LEU  QD2     957.91                
         HA     59 ASP- HN      966.00                
         HA     68 TRP  HB2    3246.00                
         HA     68 TRP  HD1     427.00                
         HB2    58 LEU  QD2    1089.00                
         HB2    59 ASP- HN      491.90                
         HB2    68 TRP  HD1     136.89                
         HB3    58 LEU  QD2    1089.00                
         HB3    59 ASP- HN      491.90                
         HB3    68 TRP  HD1     136.89                
         HG     58 LEU  QD2    1835.61                
         HG     68 TRP  HD1     122.54                
         QD1    58 LEU  QD2    1267.45                
         QD1    68 TRP  HD1     123.67                
         QD2    59 ASP- HN      108.04                
         QD2    68 TRP  HN      141.04                
         QD2    68 TRP  HB2     456.17                
         QD2    68 TRP  HD1     385.75                
         QD2    68 TRP  HE1     147.32                
 59 ASP- 
         HN     59 ASP- HA      465.79                
         HN     59 ASP- HB2     582.05                
         HN     59 ASP- HB3     511.95                
         HN     60 LYS+ HN      103.89                
         HN     62 ASP- HN      107.28                
         HN     62 ASP- HB2     582.05                
         HA     59 ASP- HB2     650.23                
         HA     59 ASP- HB3     564.79                
         HA     60 LYS+ HN      420.35                
         HA     61 ALA  HN      100.40                
         HA     62 ASP- HN      124.92                
         HB3    60 LYS+ HN       81.75                
         HB3    62 ASP- HN      200.25                
         HB3    62 ASP- HA       89.55                
         HB3    67 SER  HG       81.98                
 60 LYS+ 
         HN     60 LYS+ HA      348.35                
         HN     60 LYS+ HB2     802.20                
         HN     60 LYS+ HB3     780.00                
         HN     60 LYS+ HG2     936.00                
         HN     60 LYS+ HG3     600.15                
         HN     60 LYS+ HD2    1222.00                
         HN     60 LYS+ HD3    1222.00                
         HN     61 ALA  HN      162.68                
         HN     61 ALA  QB      285.75                
         HN     62 ASP- HN       96.04                
         HA     60 LYS+ HB2     757.48                
         HA     60 LYS+ HB3    1059.71                
         HA     60 LYS+ HG3    1193.50                
         HA     60 LYS+ HD2     426.04                
         HA     60 LYS+ HD3     426.04                
         HA     61 ALA  HN      570.45                
         HA     62 ASP- HN      145.57                
         HA     69 TYRF HN      138.97                
         HA     69 TYRF HB2     351.58                
         HA     69 TYRF HB3     712.88                
         HA     69 TYRF HD1     264.70                
         HA     69 TYRF HD2     264.70                
         HB2    61 ALA  HN      232.25                
         HB2    69 TYRF HD1     143.24                
         HB2    69 TYRF HD2     143.24                
         HB3    60 LYS+ HE2     353.58                
         HB3    60 LYS+ HE3      99.76                
         HB3    61 ALA  HN      109.38                
         HB3    69 TYRF HD1     203.22                
         HB3    69 TYRF HD2     203.22                
         HG2    60 LYS+ HE2      80.15                
         HG2   109 HEMC HA72    104.89                
         HG3    60 LYS+ HE2     847.85                
         HG3    69 TYRF HD1     247.87                
         HG3    69 TYRF HD2     247.87                
         HD2    60 LYS+ HE2     700.20                
         HD2    60 LYS+ HE3     529.21                
         HD2    61 ALA  HN      211.30                
         HD3    60 LYS+ HE2     700.20                
         HD3    60 LYS+ HE3     529.21                
         HD3    61 ALA  HN      211.30                
         HE2    69 TYRF HD1      87.71                
         HE2    69 TYRF HD2      87.71                
         HE3    61 ALA  HN      103.32                
         HE3   109 HEMC HA72    104.39                
         HE3   109 HEMC HDM      93.14                
 61 ALA  
         HN     61 ALA  HA      761.45                
         HN     61 ALA  QB     1616.50                
         HN     62 ASP- HN      551.60                
         HN     67 SER  HG      108.76                
         HN     69 TYRF HD1      87.10                
         HN     69 TYRF HD2      87.10                
         HA     61 ALA  QB     2450.00                
         HA     62 ASP- HN      404.00                
         HA     63 LYS+ HN       85.44                
         QB     62 ASP- HN      374.45                
         QB     62 ASP- HA      114.21                
 62 ASP- 
         HN     62 ASP- HA      518.75                
         HN     62 ASP- HB2     925.70                
         HN     62 ASP- HB3     883.40                
         HN     63 LYS+ HN       96.04                
         HN     69 TYRF HB2     104.35                
         HA     62 ASP- HB2     422.91                
         HA     62 ASP- HB3     902.82                
         HA     63 LYS+ HN      333.00                
         HA     67 SER  HG      117.86                
         HB2    62 ASP- HB3    6396.00                
         HB2    64 SER  HN      291.67                
         HB2    67 SER  HB3     318.69                
         HB3    64 SER  HN       87.17                
         HB3    67 SER  HB2      82.03                
         HB3    67 SER  HG      108.65                
 63 LYS+ 
         HN     63 LYS+ HA      333.00                
         HN     63 LYS+ HB2     802.20                
         HN     63 LYS+ HB3     802.20                
         HN     63 LYS+ HG2     936.00                
         HN     63 LYS+ HG3     600.15                
         HN     67 SER  HB2      89.65                
         HA     63 LYS+ HB2    1215.03                
         HA     63 LYS+ HB3    1215.03                
         HA     63 LYS+ HG2     458.45                
         HA     63 LYS+ HG3    1445.50                
         HA     63 LYS+ HD2     811.70                
         HA     63 LYS+ HD3     811.70                
         HA     64 SER  HN      677.30                
         HA     70 LYS+ HG2     142.91                
         HA     70 LYS+ HG3     142.91                
         HB2    63 LYS+ HD2    4925.50                
         HB2    63 LYS+ HD3    4925.50                
         HB2    63 LYS+ HE2     970.50                
         HB2    63 LYS+ HE3     970.50                
         HB2    64 SER  HN      500.90                
         HB3    63 LYS+ HD2    4925.50                
         HB3    63 LYS+ HD3    4925.50                
         HB3    63 LYS+ HE2     970.50                
         HB3    63 LYS+ HE3     970.50                
         HB3    64 SER  HN      500.90                
         HG2    70 LYS+ HE2     131.61                
         HG2    70 LYS+ HE3     131.61                
         HG3    63 LYS+ HD2     793.52                
         HG3    63 LYS+ HD3     793.52                
         HG3    63 LYS+ HE2      96.10                
         HG3    63 LYS+ HE3     237.54                
         HG3    64 SER  HN      213.10                
         HE2    67 SER  HG      164.10                
         HE3    67 SER  HG      164.10                
 64 SER  
         HN     64 SER  HA      382.80                
         HN     64 SER  HB2     336.92                
         HN     64 SER  HB3     243.20                
         HN     65 VAL  HN      130.96                
         HN     66 ASN  HB3     136.38                
         HN     67 SER  HN      101.54                
         HN     67 SER  HB2     206.66                
         HN     67 SER  HB3     336.62                
         HN     67 SER  HG      111.74                
         HA     64 SER  HB2    4789.00                
         HA     64 SER  HB3    4789.00                
         HA     65 VAL  HN     1608.50                
         HA     65 VAL  HA      151.60                
         HA     65 VAL  HB      107.61                
         HA     65 VAL  QG1     219.31                
         HA     67 SER  HN      131.44                
         HB2    65 VAL  HN      464.45                
         HB2    65 VAL  QG2     516.80                
         HB3    65 VAL  HN      975.35                
 65 VAL  
         HN     65 VAL  HA      552.75                
         HN     65 VAL  HB     1098.60                
         HN     65 VAL  QG1    1120.85                
         HN     65 VAL  QG2     606.15                
         HN     66 ASN  HN      875.55                
         HN     66 ASN  HB3     116.01                
         HA     65 VAL  HB     1207.00                
         HA     65 VAL  QG1     702.54                
         HA     65 VAL  QG2     611.01                
         HA     66 ASN  HN      294.75                
         HA     70 LYS+ HD2     410.96                
         HA     70 LYS+ HD3     410.96                
         HA     70 LYS+ HE2     334.11                
         HA     70 LYS+ HE3     334.11                
         HA     71 VAL  QG1     280.05                
         HB     65 VAL  QG1    1412.02                
         HB     65 VAL  QG2    1040.11                
         HB     66 ASN  HN      150.70                
         HB     70 LYS+ HE2     195.09                
         HB     70 LYS+ HE3     195.09                
         HB     71 VAL  QG1     157.24                
         QG1    66 ASN  HN     1497.00                
         QG1    66 ASN  HD21    132.25                
         QG1    66 ASN  HD22    176.85                
         QG1    71 VAL  QG1     132.21                
         QG2    66 ASN  HN      234.70                
         QG2    66 ASN  HA      465.54                
         QG2    66 ASN  HB3     104.26                
         QG2    66 ASN  HD21    145.93                
         QG2    66 ASN  HD22    506.70                
         QG2    71 VAL  QG1     247.00                
 66 ASN  
         HN     66 ASN  HA      762.80                
         HN     66 ASN  HB2     491.90                
         HN     66 ASN  HB3    2558.40                
         HN     66 ASN  HD21    201.99                
         HN     66 ASN  HD22    213.55                
         HA     66 ASN  HB2     396.35                
         HA     66 ASN  HB3     859.40                
         HA     66 ASN  HD21    715.15                
         HA     66 ASN  HD22    477.20                
         HA     71 VAL  HN      205.41                
         HA     71 VAL  QG1     124.65                
         HB2    66 ASN  HB3    2020.00                
         HB2    66 ASN  HD21    236.90                
         HB2    66 ASN  HD22    139.98                
         HB3    66 ASN  HD21    634.75                
         HB3    66 ASN  HD22    319.85                
         HB3    67 SER  HN     2558.40                
         HD21   66 ASN  HD22   4535.50                
 67 SER  
         HN     67 SER  HA      433.15                
         HN     67 SER  HB2     688.65                
         HN     67 SER  HB3    1176.00                
         HN     68 TRP  HN      196.70                
         HN     70 LYS+ HB3     763.10                
         HA     67 SER  HG       86.39                
         HA     68 TRP  HN      825.25                
         HA     69 TYRF HN      128.30                
         HA     70 LYS+ HN      433.15                
         HB2    68 TRP  HN     2259.50                
         HB2    69 TYRF HB3      82.03                
         HB2    70 LYS+ HN      688.65                
         HB2    70 LYS+ HB2     264.48                
         HB2    70 LYS+ HB3     310.25                
         HB3    68 TRP  HN      104.49                
         HB3    69 TYRF HB3    1191.20                
         HB3    70 LYS+ HN     1176.00                
         HB3    70 LYS+ HB2     390.00                
         HB3    70 LYS+ HD2     205.65                
         HB3    70 LYS+ HD3     205.65                
         HG     69 TYRF HN      110.51                
         HG     70 LYS+ HA      145.57                
 68 TRP  
         HN     68 TRP  HA      398.65                
         HN     68 TRP  HB2     792.00                
         HN     68 TRP  HB3     930.10                
         HN     68 TRP  HD1     108.78                
         HN     68 TRP  HE3     135.64                
         HN     69 TYRF HN      450.25                
         HN     70 LYS+ HN      196.70                
         HA     68 TRP  HB2     905.15                
         HA     68 TRP  HB3     483.75                
         HA     68 TRP  HD1      93.26                
         HA     68 TRP  HE3    1071.50                
         HA     68 TRP  HZ3     128.68                
         HA     68 TRP  HH2      92.52                
         HA     69 TYRF HN      577.35                
         HA     71 VAL  HN      167.21                
         HA     71 VAL  QG1     109.99                
         HA     71 VAL  QG2     924.65                
         HA     72 VAL  QG2     126.26                
         HB2    68 TRP  HD1     301.19                
         HB2    68 TRP  HE3     299.10                
         HB2    69 TYRF HN      194.67                
         HB2    71 VAL  QG2     156.89                
         HB3    68 TRP  HD1    1227.10                
         HB3    68 TRP  HE3     175.31                
         HB3    69 TYRF HN      283.65                
         HB3    71 VAL  QG2     174.03                
         HD1    68 TRP  HE3      97.00                
         HD1    68 TRP  HE1     821.20                
         HD1    68 TRP  HZ2     108.85                
         HD1    69 TYRF HN       95.46                
         HD1    69 TYRF HA      109.47                
         HD1    69 TYRF HB2     100.08                
         HD1    69 TYRF HQD1    101.54                
         HD1    71 VAL  QG2      93.61                
         HD1    72 VAL  QG1      83.42                
         HD1    72 VAL  QG2     101.05                
         HD1   109 HEMC QM5      90.29                
         HD1   109 HEMC HA62    427.00                
         HD1   109 HEMC HA63    517.05                
         HD1   109 HEMC HGM      90.05                
         HE3    68 TRP  HZ3     830.81                
         HE3    68 TRP  HZ2      91.98                
         HE3    68 TRP  HH2     168.32                
         HE3    71 VAL  HN      132.96                
         HE3    71 VAL  HA       81.31                
         HE3    71 VAL  HB      215.35                
         HE3    71 VAL  QG1     157.09                
         HE3    71 VAL  QG2     758.91                
         HE3    72 VAL  QG2     196.40                
         HE1    68 TRP  HZ2     471.25                
         HE1    68 TRP  HH2     116.81                
         HE1    72 VAL  QG2     123.47                
         HE1   109 HEMC QM5     192.89                
         HE1   109 HEMC HA62   1177.00                
         HE1   109 HEMC HA63    158.68                
         HE1   109 HEMC HB62    162.21                
         HE1   109 HEMC HB63    162.21                
         HE1   109 HEMC HGM     140.73                
         HZ3    68 TRP  HZ2     155.76                
         HZ3    68 TRP  HH2     850.71                
         HZ3    71 VAL  QG1     103.59                
         HZ3    71 VAL  QG2     339.84                
         HZ3    72 VAL  QG2     189.45                
         HZ2    68 TRP  HH2     925.42                
         HZ2    71 VAL  QG2      87.16                
         HZ2    72 VAL  HB      115.51                
         HZ2    72 VAL  QG1      95.59                
         HZ2    72 VAL  QG2     208.49                
         HZ2    86 HEMC QM1      83.84                
         HZ2    86 HEMC QT2     102.25                
         HZ2   109 HEMC HBM      82.33                
         HZ2   109 HEMC QM5     390.48                
         HZ2   109 HEMC HA62    415.20                
         HZ2   109 HEMC HB62    105.23                
         HZ2   109 HEMC HB63    105.23                
         HZ2   109 HEMC HGM      93.98                
         HH2    71 VAL  QG2     126.28                
         HH2    72 VAL  HA      105.22                
         HH2    72 VAL  QG1      93.41                
         HH2    72 VAL  QG2     259.88                
         HH2    86 HEMC QM1      83.80                
         HH2    86 HEMC QT2     213.20                
         HH2   109 HEMC QM5     136.17                
 69 TYRF 
         HN     69 TYRF HA      683.35                
         HN     69 TYRF HB2     744.10                
         HN     69 TYRF HB3     606.65                
         HN     69 TYRF HD1     213.35                
         HN     69 TYRF HD2     213.35                
         HN     70 LYS+ HN     1029.90                
         HN     71 VAL  HN      128.82                
         HN     73 HISH HD1      87.67                
         HA     69 TYRF HD1     578.37                
         HA     69 TYRF HD2     578.37                
         HA     70 LYS+ HN      253.80                
         HA     72 VAL  HN      199.96                
         HA     72 VAL  HB      299.00                
         HA     72 VAL  QG1     140.26                
         HA     72 VAL  QG2     219.50                
         HA     73 HISH HN      210.90                
         HA     73 HISH HD1     598.00                
         HA     73 HISH HE1     207.55                
         HA    109 HEMC HGM      89.28                
         HB2    69 TYRF HD1     842.10                
         HB2    69 TYRF HD2     842.10                
         HB2    70 LYS+ HN      173.02                
         HB3    69 TYRF HD1     787.25                
         HB3    69 TYRF HD2     787.25                
         HB3    70 LYS+ HN     1716.00                
         HB3    73 HISH HD1     173.30                
         HB3    73 HISH HE1     109.93                
         HD1    69 TYRF HE1     395.10                
         HD1    69 TYRF HE2     395.10                
         HD1    72 VAL  HB      116.16                
         HD1    72 VAL  QG1      97.71                
         HD1    72 VAL  QG2     119.90                
         HD1    73 HISH HB2     137.26                
         HD1    73 HISH HD1     329.45                
         HD1   109 HEMC HDM     114.43                
         HD2    69 TYRF HE1     395.10                
         HD2    69 TYRF HE2     395.10                
         HD2    72 VAL  HB      116.16                
         HD2    72 VAL  QG1      97.71                
         HD2    72 VAL  QG2     119.90                
         HD2    73 HISH HB2     137.26                
         HD2    73 HISH HD1     329.45                
         HD2   109 HEMC HDM     114.43                
         HE1   109 HEMC HDM      86.02                
         HE2   109 HEMC HDM      86.02                
         HQD1   73 HISH HE1     353.20                
         HQD1  109 HEMC HA62    104.54                
         HQD1  109 HEMC HGM     126.82                
         HQD1  109 HEMC HA72    460.99                
         HQD1  109 HEMC HA73    208.92                
         HQD1  109 HEMC QM8     179.68                
         HQD2   70 LYS+ HN      243.60                
         HQD2   70 LYS+ HA      357.64                
         HQD2   70 LYS+ HB2     134.21                
         HQD2   73 HISH HB3     235.95                
         HQD2   74 ASP- HN      100.79                
 70 LYS+ 
         HN     70 LYS+ HA      523.80                
         HN     70 LYS+ HB2     690.00                
         HN     70 LYS+ HB3     763.10                
         HN     70 LYS+ HG2     112.71                
         HN     70 LYS+ HG3     112.71                
         HN     70 LYS+ HD2     288.00                
         HN     70 LYS+ HD3     288.00                
         HN     71 VAL  QG1     188.76                
         HN     71 VAL  QG2     178.73                
         HN     72 VAL  HN      153.71                
         HN     73 HISH HN       97.60                
         HA     70 LYS+ HB2     485.55                
         HA     70 LYS+ HB3     250.20                
         HA     70 LYS+ HG2     607.95                
         HA     70 LYS+ HG3     607.95                
         HA     70 LYS+ HD2     524.70                
         HA     70 LYS+ HD3     524.70                
         HA     71 VAL  HN      295.05                
         HA     72 VAL  HN      419.05                
         HA     72 VAL  HB      104.31                
         HA     72 VAL  QG2      98.91                
         HA     73 HISH HN      284.60                
         HA     73 HISH HB2     218.65                
         HA     73 HISH HD1     107.58                
         HA     73 HISH HE1     102.17                
         HA     74 ASP- HN      792.00                
         HB2    71 VAL  HN      349.60                
         HB2    71 VAL  QG1     128.09                
         HB3    71 VAL  HN      461.25                
         HB3    71 VAL  QG1     279.10                
         HB3    71 VAL  QG2     112.10                
         HG2    70 LYS+ HE2     275.95                
         HG2    70 LYS+ HE3     275.95                
         HG2    71 VAL  HN      131.40                
         HG2    71 VAL  QG1      93.66                
         HG2    74 ASP- HN      131.26                
         HG2    74 ASP- HB2     335.50                
         HG3    70 LYS+ HE2     275.95                
         HG3    70 LYS+ HE3     275.95                
         HG3    71 VAL  HN      131.40                
         HG3    71 VAL  QG1      93.66                
         HG3    74 ASP- HN      131.26                
         HG3    74 ASP- HB2     335.50                
         HD2    70 LYS+ HE2     619.15                
         HD2    70 LYS+ HE3     619.15                
         HD2    71 VAL  HN      236.06                
         HD2    71 VAL  QG1     237.10                
         HD2    74 ASP- HB2     384.65                
         HD3    70 LYS+ HE2     619.15                
         HD3    70 LYS+ HE3     619.15                
         HD3    71 VAL  HN      236.06                
         HD3    71 VAL  QG1     237.10                
         HD3    74 ASP- HB2     384.65                
         HE2    71 VAL  QG1     203.90                
         HE3    71 VAL  QG1     203.90                
 71 VAL  
         HN     71 VAL  HA      557.50                
         HN     71 VAL  HB      220.80                
         HN     71 VAL  QG1     867.70                
         HN     71 VAL  QG2    1078.95                
         HN     72 VAL  HN      745.70                
         HN     72 VAL  HB      152.01                
         HN     72 VAL  QG2     173.52                
         HN     73 HISH HN      158.78                
         HN     74 ASP- HN      148.54                
         HA     71 VAL  HB     1028.00                
         HA     71 VAL  QG1    1047.10                
         HA     71 VAL  QG2     414.30                
         HA     72 VAL  HN      233.45                
         HA     72 VAL  HB      109.10                
         HA     72 VAL  QG2      89.19                
         HA     73 HISH HN      112.04                
         HA     82 THR  HA      171.46                
         HA     82 THR  QG2     695.75                
         HB     71 VAL  QG1    1198.30                
         HB     71 VAL  QG2     933.10                
         HB     72 VAL  HN      201.80                
         HB     72 VAL  QG2     116.71                
         HB     82 THR  HA      159.62                
         QG1    71 VAL  QG2    1512.57                
         QG1    72 VAL  HN      164.49                
         QG1    82 THR  HA       95.18                
         QG1    82 THR  HB      141.80                
         QG1    82 THR  QG2     170.26                
         QG2    72 VAL  HN      473.85                
         QG2    72 VAL  HA      139.73                
         QG2    72 VAL  QG1      98.82                
         QG2    73 HISH HN      105.57                
         QG2    74 ASP- HN      124.46                
         QG2    82 THR  HA      103.15                
         QG2    82 THR  HB       86.43                
         QG2    82 THR  QG2     133.56                
 72 VAL  
         HN     72 VAL  HA      394.25                
         HN     72 VAL  HB     1148.00                
         HN     72 VAL  QG1     473.15                
         HN     72 VAL  QG2    1110.85                
         HN     73 HISH HN     1401.00                
         HN     73 HISH HA      134.55                
         HN     73 HISH HB2     128.86                
         HN     73 HISH HD1     288.30                
         HN     73 HISH HE1     121.88                
         HN     74 ASP- HN      181.38                
         HA     72 VAL  HB      552.60                
         HA     72 VAL  QG1     630.10                
         HA     72 VAL  QG2    1001.75                
         HA     73 HISH HN      253.20                
         HA     73 HISH HA      325.75                
         HA     73 HISH HE1      91.34                
         HA     82 THR  HA      137.99                
         HA     82 THR  HB      517.40                
         HA     83 CYSH HN      550.20                
         HA     83 CYSH HB2     325.75                
         HA     84 ILE  HN      132.18                
         HA     86 HEMC HT2A     86.71                
         HA    109 HEMC HBM      86.76                
         HB     72 VAL  QG1     911.40                
         HB     73 HISH HN      737.90                
         HB     73 HISH HA      128.54                
         HB     73 HISH HB2     100.48                
         HB     73 HISH HD1     802.00                
         HB     73 HISH HD2      97.14                
         HB     73 HISH HE1     196.73                
         HB     74 ASP- HN      108.10                
         HB     86 HEMC QT2      98.10                
         HB    109 HEMC HBM      94.70                
         HB    109 HEMC QM5     505.90                
         QG1    72 VAL  QG2    1506.62                
         QG1    73 HISH HN      288.25                
         QG1    73 HISH HA      620.95                
         QG1    73 HISH HB2     101.56                
         QG1    73 HISH HB3     102.06                
         QG1    73 HISH HD1     323.05                
         QG1    73 HISH HD2     201.95                
         QG1    73 HISH HE1     376.10                
         QG1    74 ASP- HN      106.97                
         QG1    82 THR  HA       84.91                
         QG1    83 CYSH HN      133.46                
         QG1    83 CYSH HA      116.21                
         QG1    83 CYSH HB2     620.95                
         QG1    83 CYSH HB3     195.20                
         QG1    84 ILE  HN      160.87                
         QG1    84 ILE  HA      101.10                
         QG1    84 ILE  HB       98.67                
         QG1    84 ILE  HG12     88.66                
         QG1    84 ILE  HG13    117.64                
         QG1    84 ILE  QD1     201.70                
         QG1    86 HEMC HDM      95.23                
         QG1    86 HEMC QM1     223.31                
         QG1    86 HEMC HT2A    103.71                
         QG1    86 HEMC QT2     117.55                
         QG1   109 HEMC HT4A    458.05                
         QG1   109 HEMC QT4     185.19                
         QG1   109 HEMC QM3     107.94                
         QG1   109 HEMC HBM     407.70                
         QG1   109 HEMC QM5     924.30                
         QG1   109 HEMC HA62    102.46                
         QG1   109 HEMC HGM     103.77                
         QG1   109 HEMC HAM      94.64                
         QG2    73 HISH HN      494.55                
         QG2    73 HISH HB2     121.66                
         QG2    73 HISH HD1     365.75                
         QG2    73 HISH HD2     105.50                
         QG2    73 HISH HE1     183.81                
         QG2    82 THR  HA       90.95                
         QG2    82 THR  QG2      96.60                
         QG2    83 CYSH HN      148.36                
         QG2    83 CYSH HB2     168.45                
         QG2    86 HEMC QM1     139.70                
         QG2    86 HEMC QT2     263.20                
         QG2   109 HEMC HBM     128.55                
         QG2   109 HEMC QM5     550.40                
         QG2   109 HEMC HA62    135.60                
         QG2   109 HEMC HGM      92.43                
 73 HISH 
         HN     73 HISH HA      499.90                
         HN     73 HISH HB2     799.10                
         HN     73 HISH HB3     475.35                
         HN     73 HISH HD1     877.00                
         HN     73 HISH HD2     109.49                
         HN     73 HISH HE1     152.60                
         HN     74 ASP- HN      740.25                
         HN     74 ASP- HA      133.68                
         HN     74 ASP- HB2     168.98                
         HN     82 THR  QG2      94.53                
         HN     84 ILE  QD1     111.04                
         HA     73 HISH HB2     557.45                
         HA     73 HISH HB3     813.70                
         HA     73 HISH HD1     145.61                
         HA     73 HISH HD2     342.80                
         HA     73 HISH HE1      95.20                
         HA     74 ASP- HN     1137.25                
         HA     84 ILE  HN      836.95                
         HA     84 ILE  HB      439.93                
         HA     84 ILE  QG2    1410.00                
         HA     84 ILE  HG12    334.27                
         HA     84 ILE  HG13   1163.40                
         HA     84 ILE  QD1    1410.00                
         HB2    73 HISH HB3    2392.00                
         HB2    73 HISH HD1     502.50                
         HB2    73 HISH HD2     329.47                
         HB2    74 ASP- HN      243.70                
         HB2    74 ASP- HA      141.68                
         HB3    73 HISH HD1     303.20                
         HB3    73 HISH HD2     978.00                
         HB3    74 ASP- HN      220.65                
         HB3    74 ASP- HA      855.00                
         HD1    73 HISH HD2     163.64                
         HD1    73 HISH HE1    1035.85                
         HD1    74 ASP- HN      117.94                
         HD1    84 ILE  QD1      93.75                
         HD2    84 ILE  HG13    159.01                
         HD2   109 HEMC QM3     175.97                
         HD2   109 HEMC HBM      90.91                
         HD2   109 HEMC HDM      91.12                
         HD2   109 HEMC QM1     134.81                
         HD2   109 HEMC HT2A    174.09                
         HD2   109 HEMC QT2     403.11                
         HD2   109 HEMC HAM     198.17                
         HE1   109 HEMC QM5      90.38                
         HE1   109 HEMC HA62    121.51                
         HE1   109 HEMC HGM     210.06                
         HE1   109 HEMC HA72    138.61                
         HE1   109 HEMC QM8      96.92                
         HE1   109 HEMC HDM      89.68                
 74 ASP- 
         HN     74 ASP- HA     2259.50                
         HN     74 ASP- HB2    1661.95                
         HN     74 ASP- HB3     930.10                
         HN     75 ALA  HN      260.21                
         HN     76 LYS+ HN      133.03                
         HN     82 THR  HB      200.45                
         HN     82 THR  QG2     397.80                
         HN     82 THR  HG1     138.60                
         HA     74 ASP- HB2    1788.80                
         HA     74 ASP- HB3    1103.25                
         HA     75 ALA  HN     2211.50                
         HA     75 ALA  QB      875.00                
         HA     76 LYS+ HN      252.22                
         HA     82 THR  QG2     155.20                
         HA     84 ILE  QG2     100.33                
         HB2    75 ALA  HN      561.65                
         HB2    76 LYS+ HN      210.26                
         HB2    82 THR  HA       97.93                
         HB2    82 THR  QG2    1420.55                
         HB2    82 THR  HG1     901.10                
         HB3    75 ALA  HN      255.35                
         HB3    76 LYS+ HN      156.58                
         HB3    82 THR  QG2     933.30                
 75 ALA  
         HN     75 ALA  HA      318.10                
         HN     75 ALA  QB     1787.55                
         HN     76 LYS+ HB3     463.80                
         HN     84 ILE  QG2     161.70                
         HA     75 ALA  QB     2774.86                
         HA     76 LYS+ HN      299.60                
         HA     76 LYS+ HA     4673.50                
         HA     82 THR  HG1     624.00                
         HA     84 ILE  HB      234.10                
         HA     84 ILE  QG2    1066.31                
         HA     85 SER  HN     1872.00                
         QB     76 LYS+ HN      486.38                
         QB     84 ILE  QG2     678.25                
         QB     85 SER  HN      115.10                
         QB     85 SER  HA      171.57                
         QB     88 LYS+ HE2     385.60                
         QB     88 LYS+ HE3     385.60                
 76 LYS+ 
         HN     76 LYS+ HA      641.90                
         HN     76 LYS+ HB2     636.25                
         HN     76 LYS+ HB3     744.40                
         HN     76 LYS+ HG2     298.05                
         HN     76 LYS+ HG3     298.05                
         HN     76 LYS+ HD2      96.88                
         HN     76 LYS+ HD3      96.88                
         HN     77 GLY  HN      172.51                
         HN     77 GLY  HA1      98.62                
         HN     77 GLY  HA2      98.62                
         HN     82 THR  QG2      90.20                
         HN     84 ILE  QG2      93.86                
         HA     76 LYS+ HB2     366.05                
         HA     76 LYS+ HB3     447.00                
         HA     76 LYS+ HG2     458.40                
         HA     76 LYS+ HG3     458.40                
         HA     76 LYS+ HD2     101.42                
         HA     76 LYS+ HD3     101.42                
         HA     77 GLY  HN     1032.70                
         HB2    77 GLY  HN      283.65                
         HB3    77 GLY  HN      187.90                
 77 GLY  
         HN     77 GLY  HA1     896.30                
         HN     77 GLY  HA2     896.30                
         HN     82 THR  HN      139.75                
         HN     82 THR  QG2     135.60                
         HN     82 THR  HG1     233.00                
         HA1    78 GLY  HN     1145.85                
         HA1    81 FPR  HA      117.78                
         HA1    82 THR  HN      202.01                
         HA1    82 THR  HA      122.67                
         HA1    82 THR  QG2     155.29                
         HA1    82 THR  HG1     157.93                
         HA2    78 GLY  HN     1145.85                
         HA2    81 FPR  HA      117.78                
         HA2    82 THR  HN      202.01                
         HA2    82 THR  HA      122.67                
         HA2    82 THR  QG2     155.29                
         HA2    82 THR  HG1     157.93                
 78 GLY  
         HN     78 GLY  HA1     471.13                
         HN     78 GLY  HA2     501.80                
         HN     79 ALA  QB       91.35                
         HN     80 LYS+ HN      208.15                
         HN     81 FPR  HA       98.52                
         HA1    78 GLY  HA2    1666.82                
         HA1    79 ALA  HN      295.62                
         HA1    80 LYS+ HN      299.75                
         HA2    79 ALA  HN      464.19                
         HA2    80 LYS+ HN     1042.55                
 79 ALA  
         HN     79 ALA  HA      348.39                
         HN     79 ALA  QB      904.35                
         HN     80 LYS+ HN      416.90                
         HA     79 ALA  QB     2885.00                
         HA     80 LYS+ HN     1046.10                
         QB     80 LYS+ HN      448.15                
         QB     80 LYS+ HG2     163.13                
         QB     80 LYS+ HD3     165.69                
 80 LYS+ 
         HN     80 LYS+ HA      447.20                
         HN     80 LYS+ HB2     335.55                
         HN     80 LYS+ HB3     335.55                
         HN     80 LYS+ HG2     379.60                
         HN     80 LYS+ HG3     269.25                
         HN     81 FPR  HD2     139.58                
         HN     81 FPR  HD3     139.58                
         HA     80 LYS+ HB2     894.42                
         HA     80 LYS+ HB3     894.42                
         HA     80 LYS+ HG2     149.08                
         HA     80 LYS+ HG3     115.32                
         HA     80 LYS+ HD2     103.89                
         HA     80 LYS+ HD3      94.39                
         HA     80 LYS+ HE2     106.47                
         HA     81 FPR  HG2    1075.25                
         HA     81 FPR  HG3     455.72                
         HB2    80 LYS+ HG2     581.15                
         HB2    80 LYS+ HG3     464.49                
         HB2    80 LYS+ HD2     517.95                
         HB2    80 LYS+ HD3     245.20                
         HB2    80 LYS+ HE3     115.68                
         HB2    81 FPR  HD2    1128.30                
         HB2    81 FPR  HD3    1128.30                
         HB3    80 LYS+ HG2     581.15                
         HB3    80 LYS+ HG3     464.49                
         HB3    80 LYS+ HD2     517.95                
         HB3    80 LYS+ HD3     245.20                
         HB3    80 LYS+ HE3     115.68                
         HB3    81 FPR  HD2    1128.30                
         HB3    81 FPR  HD3    1128.30                
         HG2    80 LYS+ HD2     232.35                
         HG2    80 LYS+ HD3     402.50                
         HG2    80 LYS+ HE3     126.05                
         HG2    81 FPR  HD2      96.77                
         HG2    81 FPR  HD3      96.77                
         HG3    80 LYS+ HD2     532.35                
         HG3    80 LYS+ HD3     451.59                
         HG3    80 LYS+ HE2     216.89                
         HG3    80 LYS+ HE3     286.05                
         HG3    81 FPR  HD2     127.26                
         HG3    81 FPR  HD3     127.26                
         HD2    80 LYS+ HD3    1985.00                
         HD2    80 LYS+ HE2     392.95                
         HD2    80 LYS+ HE3     384.90                
         HD2    81 FPR  HD2     148.25                
         HD2    81 FPR  HD3     148.25                
         HD3    80 LYS+ HE2     244.19                
         HD3    80 LYS+ HE3     237.30                
         HD3    81 FPR  HD2     156.23                
         HD3    81 FPR  HD3     156.23                
 81 FPR  
         HD2    81 FPR  HG2     825.85                
         HD2    81 FPR  HG3    1367.00                
         HD2    81 FPR  HA     1510.00                
         HD2    81 FPR  HB2     489.59                
         HD2    81 FPR  HB3     489.59                
         HD2    86 HEMC QT4     194.60                
         HD3    81 FPR  HG2     825.85                
         HD3    81 FPR  HG3    1367.00                
         HD3    81 FPR  HA     1510.00                
         HD3    81 FPR  HB2     489.59                
         HD3    81 FPR  HB3     489.59                
         HD3    86 HEMC QT4     194.60                
         HG2    81 FPR  HA     1075.25                
         HG2    82 THR  HN      328.85                
         HG2    82 THR  HA       97.31                
         HG2    86 HEMC HN      254.55                
         HG2    86 HEMC HB2    2642.00                
         HG2    86 HEMC QT4     437.60                
         HG2    86 HEMC QM3     743.81                
         HG2    86 HEMC HAM      98.39                
         HG2    87 HISH HN      109.52                
         HG3    81 FPR  HA      455.72                
         HG3    86 HEMC QT4     260.00                
         HG3    86 HEMC QM3    1207.00                
         HA     81 FPR  HB2    1009.80                
         HA     81 FPR  HB3    1214.58                
         HA     82 THR  HN     2288.00                
         HA     82 THR  HA      113.96                
         HA     82 THR  QG2     148.11                
         HA     86 HEMC QM3     106.22                
         HB2    82 THR  HN      976.05                
         HB2    86 HEMC HN      372.45                
         HB2    86 HEMC HB2     280.02                
         HB2    86 HEMC QT4     107.74                
         HB2    86 HEMC QM3     196.50                
         HB3    82 THR  HN      976.05                
         HB3    86 HEMC HN      372.45                
         HB3    86 HEMC HB2     280.02                
         HB3    86 HEMC QT4     107.74                
         HB3    86 HEMC QM3     196.50                
 82 THR  
         HN     82 THR  HA      331.30                
         HN     82 THR  HB     2923.50                
         HN     82 THR  QG2    3345.00                
         HN     82 THR  HG1    1168.75                
         HN     83 CYSH HN      198.49                
         HN     84 ILE  HN      833.70                
         HN     85 SER  HB2    1092.00                
         HN     85 SER  HB3    2496.00                
         HN     86 HEMC HN      713.90                
         HA     82 THR  HB     1197.30                
         HA     82 THR  QG2     855.06                
         HA     82 THR  HG1     176.43                
         HA     83 CYSH HN      801.00                
         HA     83 CYSH HA      110.92                
         HA     83 CYSH HB2     104.00                
         HA     84 ILE  HN      131.54                
         HA     85 SER  HN      331.30                
         HA     86 HEMC QM3     171.46                
         HA     86 HEMC HT2A     88.84                
         HB     82 THR  QG2    1138.22                
         HB     82 THR  HG1     586.30                
         HB     83 CYSH HN     1051.80                
         HB     84 ILE  HN      285.40                
         HB     84 ILE  HB      156.33                
         HB     84 ILE  QG2     127.87                
         QG2    82 THR  HG1    1044.75                
         QG2    83 CYSH HN      225.85                
         QG2    84 ILE  HN      165.52                
         QG2    85 SER  HN     3345.00                
         HG1    83 CYSH HN      156.65                
         HG1    84 ILE  HN      187.98                
         HG1    84 ILE  HB      472.70                
         HG1    84 ILE  QG2     163.20                
         HG1    85 SER  HN     1168.75                
         HG1    85 SER  HA      199.40                
         HG1    85 SER  HB2     144.77                
         HG1    85 SER  HB3     748.80                
         HG1    86 HEMC HN      108.18                
 83 CYSH 
         HN     83 CYSH HA      315.65                
         HN     83 CYSH HB2     436.70                
         HN     83 CYSH HB3     230.20                
         HN     84 ILE  HN      532.90                
         HN     84 ILE  HA      174.23                
         HN     84 ILE  HB      130.35                
         HN     85 SER  HN      198.49                
         HN     86 HEMC QM3     141.77                
         HN     86 HEMC HT2A    157.98                
         HN     86 HEMC HAM     141.96                
         HN    109 HEMC QT4     123.04                
         HA     83 CYSH HB2     484.78                
         HA     83 CYSH HB3     780.40                
         HA     84 ILE  HN      216.81                
         HA     86 HEMC QM3     395.80                
         HA     86 HEMC HT2A    532.85                
         HA     86 HEMC QT2    1136.36                
         HA     86 HEMC HAM     708.86                
         HA     87 HISH HN      124.38                
         HB2    83 CYSH HB3    3295.50                
         HB2    84 ILE  HN      836.95                
         HB2    84 ILE  HB      439.93                
         HB2    84 ILE  HG12    334.27                
         HB2    84 ILE  HG13   1163.40                
         HB2    84 ILE  QD1    1410.00                
         HB2    86 HEMC HT2A    556.13                
         HB2    86 HEMC HAM     112.33                
         HB2   109 HEMC HT4A    115.97                
         HB2   109 HEMC QT4     997.80                
         HB3    84 ILE  HN      593.35                
         HB3    86 HEMC QM1     321.89                
         HB3    86 HEMC HT2A    176.65                
         HB3    86 HEMC HAM     176.57                
         HB3   109 HEMC HT4A    138.11                
         HB3   109 HEMC QT4     745.65                
         HB3   109 HEMC HBM     108.73                
 84 ILE  
         HN     84 ILE  HA      479.20                
         HN     84 ILE  HB     1214.00                
         HN     84 ILE  QG2     895.05                
         HN     84 ILE  HG12    220.88                
         HN     84 ILE  HG13    428.45                
         HN     84 ILE  QD1     822.05                
         HN     85 SER  HN      833.70                
         HN     85 SER  HB3      96.71                
         HN     86 HEMC HN      134.04                
         HN    109 HEMC QT4     428.45                
         HA     84 ILE  HB      965.10                
         HA     84 ILE  QG2    1842.05                
         HA     84 ILE  HG12    459.40                
         HA     84 ILE  HG13    418.84                
         HA     84 ILE  QD1    1621.86                
         HA     85 SER  HN      976.05                
         HA     87 HISH HN      307.60                
         HA     87 HISH HB3    1420.55                
         HA     87 HISH HD1     160.46                
         HA     88 LYS+ HN      976.05                
         HA    102 THR  HA      107.25                
         HA    102 THR  QG2     522.50                
         HA    109 HEMC QT4     522.50                
         HB     84 ILE  QG2    1269.89                
         HB     85 SER  HN      547.85                
         HB    102 THR  HA       88.73                
         QG2    85 SER  HN      548.40                
         QG2    85 SER  HA      336.18                
         QG2    85 SER  HB3    1066.31                
         QG2    86 HEMC HN      109.50                
         QG2    87 HISH HN      130.67                
         QG2    88 LYS+ HN      548.40                
         QG2    88 LYS+ HG2     301.43                
         QG2    88 LYS+ HE2     217.79                
         QG2    88 LYS+ HE3     217.79                
         QG2   102 THR  HA     1038.10                
         QG2   102 THR  HB      653.85                
         HG12  102 THR  HA      380.02                
         HG12  109 HEMC QM3     208.49                
         HG12  109 HEMC HAM     231.88                
         HG13  102 THR  HA      106.40                
         QD1    85 SER  HN       83.31                
         QD1    87 HISH HD1     112.51                
         QD1   102 THR  HA      908.10                
         QD1   102 THR  HB      564.32                
         QD1   104 CYSH HA      131.64                
         QD1   109 HEMC HT4A    100.79                
         QD1   109 HEMC QM3    1170.05                
         QD1   109 HEMC HBM     109.67                
         QD1   109 HEMC HT2A    315.98                
         QD1   109 HEMC QT2     706.55                
         QD1   109 HEMC HAM     524.70                
 85 SER  
         HN     85 SER  HA      797.05                
         HN     85 SER  HB2    1092.00                
         HN     85 SER  HB3    2496.00                
         HN     86 HEMC HN      713.90                
         HN     86 HEMC HB3     126.77                
         HN     87 HISH HN      907.30                
         HA     86 HEMC HN      175.85                
         HA     87 HISH HN      131.55                
         HA     88 LYS+ HN      797.05                
         HA     88 LYS+ HB2     466.70                
         HA     88 LYS+ HB3     238.20                
         HA     89 ASP- HN      149.22                
         HA    102 THR  QG2     399.25                
         HB2    85 SER  HB3    2647.72                
         HB2    86 HEMC HN      233.80                
         HB3    86 HEMC HN      798.55                
 86 HEMC 
         HN     86 HEMC HA      801.85                
         HN     86 HEMC HB2     798.55                
         HN     86 HEMC HB3     839.10                
         HN     86 HEMC QT4     839.10                
         HN     86 HEMC QM3     233.80                
         HN     86 HEMC HAM      87.04                
         HN     87 HISH HN      787.50                
         HN     87 HISH HB2     377.50                
         HN     87 HISH HD2     119.81                
         HN     88 LYS+ HN      713.90                
         HN     89 ASP- HN      123.97                
         HA     86 HEMC HB2    1549.50                
         HA     86 HEMC HB3     824.27                
         HA     86 HEMC QT4     392.35                
         HA     86 HEMC HBM      93.05                
         HA     87 HISH HN      299.30                
         HA     87 HISH HD2     124.93                
         HA     89 ASP- HN      472.30                
         HA     89 ASP- HB2     487.95                
         HA     89 ASP- HB3     318.87                
         HA     90 LYS+ HN       91.46                
         HB2    86 HEMC HB3    1790.50                
         HB2    86 HEMC HT4A    295.00                
         HB2    86 HEMC QT4    1098.35                
         HB2    86 HEMC QM3     942.65                
         HB2    87 HISH HN      546.00                
         HB2    87 HISH HD2     106.85                
         HB3    86 HEMC QM3     683.80                
         HB3    86 HEMC HAM     103.30                
         HB3    87 HISH HN      655.85                
         HB3    87 HISH HD2     377.33                
         HB3    88 LYS+ HN      126.77                
         HT4A   90 LYS+ HG2     105.85                
         HT4A   90 LYS+ HG3     522.75                
         HT4A   90 LYS+ HE2     245.06                
         HT4A   90 LYS+ HE3     245.06                
         QM3    87 HISH HD2     128.78                
         HBM    86 HEMC HA63     82.15                
         HBM    87 HISH HA      134.94                
         HBM    87 HISH HD2     240.14                
         HBM    90 LYS+ HA      100.07                
         HBM    90 LYS+ HB2     106.77                
         HBM    90 LYS+ HB3     106.77                
         HBM    90 LYS+ HG2     138.48                
         HBM    90 LYS+ HG3     198.11                
         HBM    90 LYS+ HD2      89.01                
         HBM    90 LYS+ HE2     249.93                
         HBM    90 LYS+ HE3     249.93                
         HBM   101 LEU  QD1     117.55                
         QM5    86 HEMC HA62    677.25                
         QM5    86 HEMC HA63    281.90                
         QM5    86 HEMC HB62    241.27                
         QM5    87 HISH HD2     123.01                
         QM5    90 LYS+ HN      143.00                
         QM5    90 LYS+ HB2     101.62                
         QM5    90 LYS+ HB3     101.62                
         QM5    90 LYS+ HG2     277.80                
         QM5    90 LYS+ HG3     593.80                
         QM5    90 LYS+ HD2     314.10                
         QM5    90 LYS+ HD3     183.07                
         QM5   101 LEU  QD1     159.98                
         QM5   101 LEU  QD2      85.13                
         HA62   86 HEMC HB62    781.85                
         HA62   86 HEMC HB63    554.57                
         HA62   86 HEMC HGM     586.30                
         HA62  101 LEU  QD1     175.74                
         HA62  101 LEU  QD2     280.40                
         HA63   86 HEMC HB62    635.00                
         HA63   86 HEMC HB63    422.83                
         HA63   86 HEMC HGM    1409.00                
         HB62   86 HEMC HGM     239.92                
         HB62   86 HEMC HA73    199.63                
         HB62  101 LEU  QD1     289.70                
         HB62  101 LEU  QD2     185.21                
         HB63   86 HEMC HGM    1640.50                
         HB63  101 LEU  QD1     463.30                
         HB63  101 LEU  QD2     483.60                
         HGM    86 HEMC HA72   1409.00                
         HGM    86 HEMC HA73   1448.00                
         HGM    86 HEMC HB72    658.88                
         HGM    86 HEMC HB73    500.19                
         HGM    87 HISH HE1     101.05                
         HGM   100 LYS+ HG3      90.12                
         HGM   100 LYS+ HD2      92.52                
         HGM   100 LYS+ HD3      92.52                
         HGM   101 LEU  HG      107.71                
         HGM   101 LEU  QD1     152.16                
         HGM   101 LEU  QD2     608.35                
         HGM   108 ALA  QB      198.32                
         HA72   86 HEMC HB72   4085.50                
         HA72   86 HEMC HB73    931.06                
         HA72   86 HEMC HDM     140.51                
         HA72  108 ALA  QB     1234.56                
         HA73   86 HEMC HB72   1345.95                
         HA73   86 HEMC HB73    829.20                
         HA73   86 HEMC QM8     798.30                
         HA73   86 HEMC HDM      87.00                
         HA73  101 LEU  QD2     557.27                
         HA73  108 ALA  QB     1665.30                
         HB72   86 HEMC HB73   2158.50                
         HB72  101 LEU  QD2     185.43                
         HB73   86 HEMC QM8     313.90                
         HB73  101 LEU  QD2     157.62                
         QM8   101 LEU  QD2     148.02                
         QM8   108 ALA  HN      111.24                
         QM8   108 ALA  QB     6000.00                
         QM8   109 HEMC HN      153.56                
         QM8   109 HEMC HA      358.67                
         QM8   109 HEMC QT4     214.33                
         QM8   110 HISH HN      129.77                
         HDM    87 HISH HE1     248.25                
         HDM   101 LEU  QD2      87.79                
         HDM   109 HEMC HA       91.07                
         HDM   109 HEMC HB3      88.09                
         HDM   109 HEMC HT4A    172.15                
         HDM   109 HEMC QT4     228.83                
         HDM   109 HEMC QM3     100.87                
         HDM   109 HEMC HBM     115.26                
         QM1   109 HEMC HT4A    743.33                
         QM1   109 HEMC QT4     378.79                
         QM1   109 HEMC HBM     501.20                
         QM1   109 HEMC QM5     757.24                
         HT2A  109 HEMC QT4     104.89                
         QT2   109 HEMC HT4A    126.33                
         QT2   109 HEMC HBM     119.29                
         HAM    87 HISH HD2      96.48                
         HAM   109 HEMC QT4      99.19                
 87 HISH 
         HN     87 HISH HA      626.90                
         HN     87 HISH HB2    1077.35                
         HN     87 HISH HB3     423.00                
         HN     87 HISH HD1     148.45                
         HN     87 HISH HD2     652.35                
         HN     88 LYS+ HN      907.30                
         HN     89 ASP- HN      146.04                
         HN     90 LYS+ HN      112.57                
         HN    101 LEU  QD1     199.22                
         HN    102 THR  QG2     215.20                
         HA     87 HISH HB2     536.00                
         HA     87 HISH HB3    1009.79                
         HA     87 HISH HD1     221.55                
         HA     87 HISH HD2    1448.80                
         HA     87 HISH HE1    1297.95                
         HA     88 LYS+ HN      976.05                
         HA     89 ASP- HN      147.29                
         HA     90 LYS+ HN      561.65                
         HA     90 LYS+ HB2     926.90                
         HA     90 LYS+ HB3     926.90                
         HA     90 LYS+ HG2    4222.50                
         HA     90 LYS+ HG3     148.86                
         HA     91 ALA  HN      149.26                
         HA    101 LEU  HB2     229.75                
         HA    101 LEU  HB3     581.35                
         HA    101 LEU  QD1     581.35                
         HA    101 LEU  QD2     117.86                
         HB2    87 HISH HD1     537.15                
         HB2    87 HISH HD2     660.36                
         HB2    88 LYS+ HN     6708.00                
         HB2   102 THR  HA      114.21                
         HB2   102 THR  QG2    1089.00                
         HB3    87 HISH HD1     706.00                
         HB3    87 HISH HD2     118.67                
         HB3    88 LYS+ HN     3345.00                
         HB3    89 ASP- HN      174.45                
         HB3   101 LEU  HB3    1386.31                
         HB3   101 LEU  QD1    1386.31                
         HB3   101 LEU  QD2     220.76                
         HB3   102 THR  HA      112.55                
         HB3   102 THR  QG2     977.32                
         HD1    87 HISH HD2     947.50                
         HD1    87 HISH HE1    1162.20                
         HD1   101 LEU  HN      104.57                
         HD1   101 LEU  HA      521.90                
         HD1   101 LEU  HB2     404.30                
         HD1   101 LEU  HB3    1560.00                
         HD1   101 LEU  QD1    1560.00                
         HD1   101 LEU  QD2     291.65                
         HD1   102 THR  HN       89.37                
         HD1   102 THR  HA      160.14                
         HD1   109 HEMC QT4    1603.65                
         HD1   109 HEMC QM3     400.55                
         HD2    87 HISH HE1     111.69                
         HD2    88 LYS+ HN      142.33                
         HD2    90 LYS+ HN       92.54                
         HD2    90 LYS+ HE2     184.28                
         HD2    90 LYS+ HE3     184.28                
         HD2   101 LEU  QD1     158.38                
         HD2   101 LEU  QD2     121.58                
         HE1   101 LEU  QD2    2249.42                
         HE1   109 HEMC HT4A    162.18                
         HE1   109 HEMC QT4    1157.05                
 88 LYS+ 
         HN     88 LYS+ HA     3744.00                
         HN     88 LYS+ HB2    1133.00                
         HN     88 LYS+ HB3    6708.00                
         HN     88 LYS+ HG2    3345.00                
         HN     88 LYS+ HG3     113.51                
         HN     88 LYS+ HE2     104.93                
         HN     88 LYS+ HE3     104.93                
         HN     89 ASP- HN      774.85                
         HN     90 LYS+ HN      180.47                
         HN     91 ALA  HN      145.85                
         HN     91 ALA  QB      117.56                
         HN    101 LEU  HB3     119.60                
         HN    102 THR  QG2     527.75                
         HA     88 LYS+ HB2     843.50                
         HA     88 LYS+ HB3     777.58                
         HA     88 LYS+ HG2     676.20                
         HA     88 LYS+ HG3     582.30                
         HA     88 LYS+ HD2     763.18                
         HA     88 LYS+ HD3     763.18                
         HA     89 ASP- HN      311.90                
         HA     90 LYS+ HN      318.10                
         HA     91 ALA  HN      570.45                
         HA     91 ALA  QB      514.50                
         HA     92 GLY  HN      131.18                
         HA    102 THR  QG2    1016.90                
         HB2    89 ASP- HN      461.60                
         HB3    89 ASP- HN      538.95                
         HG2    88 LYS+ HE2     305.55                
         HG2    88 LYS+ HE3     305.55                
         HG2   102 THR  HG1      81.77                
         HG3    88 LYS+ HE2    1110.85                
         HG3    88 LYS+ HE3    1110.85                
         HG3    89 ASP- HN      132.03                
         HG3   101 LEU  HB3    2400.42                
         HG3   102 THR  QG2     451.07                
         HE2   102 THR  HA       99.11                
         HE3   102 THR  HA       99.11                
 89 ASP- 
         HN     89 ASP- HA      903.25                
         HN     89 ASP- HB2     725.35                
         HN     89 ASP- HB3    1106.95                
         HN     90 LYS+ HN      856.45                
         HN     90 LYS+ HB2     143.54                
         HN     90 LYS+ HB3     143.54                
         HN     91 ALA  HN      228.93                
         HN    102 THR  QG2     132.94                
         HA     89 ASP- HB2    1351.42                
         HA     89 ASP- HB3    1165.50                
         HA     90 LYS+ HN      201.79                
         HA     91 ALA  HN     1062.00                
         HA     92 GLY  HN      237.05                
         HB2    90 LYS+ HN      390.20                
         HB3    90 LYS+ HN      418.30                
 90 LYS+ 
         HN     90 LYS+ HA      589.50                
         HN     90 LYS+ HB2    1429.50                
         HN     90 LYS+ HB3    1429.50                
         HN     90 LYS+ HG2     550.40                
         HN     90 LYS+ HG3     463.80                
         HN     90 LYS+ HD2     131.74                
         HN     90 LYS+ HD3     231.40                
         HN     90 LYS+ HE2     318.10                
         HN     90 LYS+ HE3     318.10                
         HN     91 ALA  HN      831.90                
         HN     91 ALA  QB      168.30                
         HN     92 GLY  HN      153.76                
         HN    101 LEU  QD1     137.85                
         HA     90 LYS+ HB2    2922.00                
         HA     90 LYS+ HB3    2922.00                
         HA     90 LYS+ HD3    2434.50                
         HA     91 ALA  HN      923.85                
         HA    101 LEU  QD1     109.46                
         HB2    91 ALA  HN     6240.00                
         HB2    91 ALA  HA      109.86                
         HB2   101 LEU  QD1    1588.10                
         HB3    91 ALA  HN     6240.00                
         HB3    91 ALA  HA      109.86                
         HB3   101 LEU  QD1    1588.10                
         HG2    90 LYS+ HE2     292.20                
         HG2    90 LYS+ HE3     292.20                
         HG2   101 LEU  QD1    1404.77                
         HG3    90 LYS+ HE2     777.58                
         HG3    90 LYS+ HE3     777.58                
         HG3   101 LEU  QD1    1404.77                
         HD2    90 LYS+ HE2     390.65                
         HD2    90 LYS+ HE3     390.65                
         HD2   101 LEU  QD1     670.75                
         HD3    90 LYS+ HE2     472.35                
         HD3    90 LYS+ HE3     472.35                
         HD3   101 LEU  QD1     670.75                
         HE2   101 LEU  QD1     134.88                
         HE3   101 LEU  QD1     134.88                
 91 ALA  
         HN     91 ALA  HA      919.05                
         HN     91 ALA  QB     1448.50                
         HN     92 GLY  HN     1059.50                
         HN     97 LEU  QD1     139.21                
         HN    101 LEU  QD1     624.00                
         HA     91 ALA  QB     2938.17                
         HA     92 GLY  HN      221.81                
         HA     97 LEU  HN      156.24                
         HA     97 LEU  HB2     348.15                
         HA     97 LEU  HB3    1259.50                
         HA     97 LEU  QD1     509.45                
         HA     97 LEU  QD2     512.27                
         HA     98 LYS+ HN      142.18                
         HA     98 LYS+ HA      220.24                
         HA    101 LEU  QD1    1419.50                
         QB     92 GLY  HN      936.00                
         QB     94 ASP- HN      111.00                
         QB     97 LEU  HN      167.01                
         QB     97 LEU  HA      191.07                
         QB     98 LYS+ HN      568.40                
         QB     98 LYS+ HA     1355.81                
         QB     98 LYS+ HE2     147.19                
         QB     98 LYS+ HE3     147.19                
         QB    101 LEU  HN      645.70                
 92 GLY  
         HN     92 GLY  HA1    2717.00                
         HN     92 GLY  HA2    2717.00                
         HN     94 ASP- HN       96.07                
         HA1    93 ASP- HN      744.90                
         HA1    93 ASP- HA      163.13                
         HA1    94 ASP- HN      188.60                
         HA2    93 ASP- HN      744.90                
         HA2    93 ASP- HA      163.13                
         HA2    94 ASP- HN      188.60                
 93 ASP- 
         HN     93 ASP- HB2     163.80                
         HN     93 ASP- HB3     146.34                
         HN     94 ASP- HN      464.10                
         HA     93 ASP- HB2     683.08                
         HA     93 ASP- HB3     680.55                
         HA     94 ASP- HN      122.81                
         HA     98 LYS+ HE2     189.34                
         HA     98 LYS+ HE3     189.34                
         HB2    93 ASP- HB3    3345.00                
         HB2    94 ASP- HN      202.50                
         HB3    94 ASP- HN       85.90                
 94 ASP- 
         HN     94 ASP- HA      541.90                
         HN     94 ASP- HB2    1183.75                
         HN     94 ASP- HB3     851.80                
         HN     95 LYS+ HN      212.11                
         HN     97 LEU  HN      173.16                
         HN     98 LYS+ HN      256.50                
         HA     94 ASP- HB2     513.14                
         HA     94 ASP- HB3    2429.16                
         HA     95 LYS+ HN      747.95                
         HA     96 GLU- HN      160.98                
         HA     97 LEU  HN     2123.00                
         HA     97 LEU  QD1     139.48                
         HB2    94 ASP- HB3    3150.50                
         HB2    95 LYS+ HN      239.75                
         HB2    97 LEU  HN      240.60                
         HB2    97 LEU  HB2     879.72                
         HB2    97 LEU  HB3     221.90                
         HB2    98 LYS+ HN      239.75                
         HB3    95 LYS+ HN      256.85                
         HB3    97 LEU  HB2    1669.75                
         HB3    97 LEU  HB3     458.88                
         HB3    97 LEU  QD1     216.63                
 95 LYS+ 
         HN     95 LYS+ HA     1099.20                
         HN     95 LYS+ HB2     686.60                
         HN     95 LYS+ HB3     789.65                
         HN     95 LYS+ HG3     486.35                
         HN     96 GLU- HN      483.25                
         HA     95 LYS+ HB2     530.98                
         HA     95 LYS+ HB3     614.31                
         HA     95 LYS+ HG2     731.77                
         HA     95 LYS+ HG3     366.53                
         HA     95 LYS+ HD2     127.69                
         HA     95 LYS+ HD3     181.24                
         HA     96 GLU- HN      222.20                
         HA     97 LEU  HN      239.60                
         HA     98 LYS+ HN     1099.20                
         HA     98 LYS+ HB2     429.25                
         HA     98 LYS+ HB3    1108.56                
         HA     98 LYS+ HD2     679.55                
         HA     98 LYS+ HD3     679.55                
         HA     99 LYS+ HN      174.26                
         HB2    96 GLU- HN      333.25                
         HB3    96 GLU- HN      425.20                
         HG2    96 GLU- HN      168.30                
         HG3    96 GLU- HN      136.33                
 96 GLU- 
         HN     96 GLU- HA      923.85                
         HN     96 GLU- HB2    1399.00                
         HN     96 GLU- HB3     696.20                
         HN     96 GLU- HG2     285.69                
         HN     96 GLU- HG3    2288.95                
         HN     97 LEU  HN      977.20                
         HN     98 LYS+ HN      480.10                
         HA     96 GLU- HB2    1241.00                
         HA     96 GLU- HG2     124.14                
         HA     96 GLU- HG3     357.75                
         HA     97 LEU  HN      969.80                
         HA     98 LYS+ HN      700.57                
         HA     99 LYS+ HN      383.55                
         HA     99 LYS+ HB2    1612.50                
         HA     99 LYS+ HB3    1612.50                
         HA    100 LYS+ HN      102.55                
         HA    100 LYS+ HG2    1460.70                
         HB2    97 LEU  HN      459.40                
         HB2    98 LYS+ HN       94.88                
         HB3    97 LEU  HN      513.30                
         HG2    97 LEU  HN       99.45                
         HG3    97 LEU  HN      133.95                
 97 LEU  
         HN     97 LEU  HA      554.20                
         HN     97 LEU  HB2    1085.25                
         HN     97 LEU  HB3     518.25                
         HN     97 LEU  HG      235.20                
         HN     97 LEU  QD1     197.15                
         HN     97 LEU  QD2     222.90                
         HN     98 LYS+ HN      962.95                
         HN     98 LYS+ HA      134.87                
         HN     98 LYS+ HB2     719.45                
         HN     98 LYS+ HB3    1311.75                
         HN     99 LYS+ HN      143.58                
         HN    101 LEU  QD1      98.89                
         HA     97 LEU  HB2    4869.00                
         HA     97 LEU  HB3     733.11                
         HA     97 LEU  HG     1429.00                
         HA     97 LEU  QD1     699.61                
         HA     97 LEU  QD2    1017.50                
         HA     98 LYS+ HN      600.90                
         HA     98 LYS+ HA      172.20                
         HA     99 LYS+ HN      330.55                
         HA    100 LYS+ HN      957.75                
         HA    100 LYS+ HG2    1615.00                
         HA    100 LYS+ HG3    4050.00                
         HA    100 LYS+ HE2     201.74                
         HA    100 LYS+ HE3     201.74                
         HA    101 LEU  HN      782.00                
         HA    101 LEU  HB2     191.07                
         HA    101 LEU  QD1     197.03                
         HA    101 LEU  QD2     204.20                
         HB2    97 LEU  QD1    3600.00                
         HB2    97 LEU  QD2    1071.72                
         HB2    98 LYS+ HN      789.10                
         HB3    98 LYS+ HN      936.00                
         HG     97 LEU  QD1    1331.55                
         HG     97 LEU  QD2    1828.65                
         HG     98 LYS+ HN      307.85                
         HG    101 LEU  QD1     276.20                
         QD1    98 LYS+ HN      780.00                
         QD1   100 LYS+ HN      163.35                
         QD1   101 LEU  QD1     988.75                
         QD1   101 LEU  QD2    1865.37                
         QD2    98 LYS+ HN     1222.00                
         QD2   100 LYS+ HN      120.08                
         QD2   101 LEU  QD1     467.95                
         QD2   101 LEU  QD2     146.82                
 98 LYS+ 
         HN     98 LYS+ HA     1018.50                
         HN     98 LYS+ HB2     940.20                
         HN     98 LYS+ HB3    1088.45                
         HN     98 LYS+ HG2     600.15                
         HN     98 LYS+ HG3     600.15                
         HN     98 LYS+ HD2     802.20                
         HN     98 LYS+ HD3     802.20                
         HN     98 LYS+ HE2     114.17                
         HN     98 LYS+ HE3     114.17                
         HN     99 LYS+ HN      763.95                
         HN     99 LYS+ HB2     631.60                
         HN     99 LYS+ HB3     631.60                
         HN    100 LYS+ HN      222.12                
         HN    101 LEU  HN      162.68                
         HN    101 LEU  QD1      86.14                
         HA     98 LYS+ HB2     973.25                
         HA     98 LYS+ HB3     744.36                
         HA     98 LYS+ HG2     768.00                
         HA     98 LYS+ HG3     768.00                
         HA     98 LYS+ HD2     291.10                
         HA     98 LYS+ HD3     291.10                
         HA     99 LYS+ HN      224.40                
         HA    101 LEU  HN      203.85                
         HA    101 LEU  QD1     174.08                
         HA    102 THR  HN      205.50                
         HA    102 THR  QG2     350.30                
         HA    102 THR  HG1     164.25                
         HB2    99 LYS+ HN      656.90                
         HB3    99 LYS+ HN      431.75                
         HG2    98 LYS+ HE2     385.60                
         HG2    98 LYS+ HE3     385.60                
         HG3    98 LYS+ HE2     385.60                
         HG3    98 LYS+ HE3     385.60                
 99 LYS+ 
         HN     99 LYS+ HA      897.40                
         HN     99 LYS+ HB2    2075.00                
         HN     99 LYS+ HB3    2075.00                
         HN     99 LYS+ HG2     275.60                
         HN     99 LYS+ HG3     151.21                
         HN     99 LYS+ HD2     645.10                
         HN     99 LYS+ HD3     645.10                
         HN     99 LYS+ HE2    1983.50                
         HN     99 LYS+ HE3    1983.50                
         HN    100 LYS+ HB2     120.21                
         HN    100 LYS+ HB3     120.21                
         HN    100 LYS+ HG2     103.94                
         HN    101 LEU  HN      122.66                
         HA     99 LYS+ HB2    2016.24                
         HA     99 LYS+ HB3    2016.24                
         HA     99 LYS+ HG2     280.82                
         HA     99 LYS+ HG3    1259.50                
         HA     99 LYS+ HD2     512.95                
         HA     99 LYS+ HD3     512.95                
         HA    100 LYS+ HN      329.40                
         HA    103 GLY  HN      452.35                
         HB2    99 LYS+ HE2     151.11                
         HB2    99 LYS+ HE3     151.11                
         HB2   100 LYS+ HN     1397.00                
         HB2   103 GLY  HN      352.70                
         HB2   103 GLY  HA2     186.45                
         HB3    99 LYS+ HE2     151.11                
         HB3    99 LYS+ HE3     151.11                
         HB3   100 LYS+ HN     1397.00                
         HB3   103 GLY  HN      352.70                
         HB3   103 GLY  HA2     186.45                
         HG2   101 LEU  QD1      94.54                
         HG3   100 LYS+ HN      232.50                
100 LYS+ 
         HN    100 LYS+ HA      957.75                
         HN    100 LYS+ HB2    1631.50                
         HN    100 LYS+ HB3    1631.50                
         HN    100 LYS+ HG2    1304.60                
         HN    100 LYS+ HG3     549.35                
         HN    100 LYS+ HD2     272.78                
         HN    100 LYS+ HD3     272.78                
         HN    101 LEU  HN     1166.35                
         HN    101 LEU  HB2     165.30                
         HN    101 LEU  HB3     210.00                
         HN    101 LEU  HG      272.77                
         HN    101 LEU  QD1     210.00                
         HN    101 LEU  QD2     141.43                
         HN    108 ALA  HN      115.25                
         HA    100 LYS+ HB2    4869.00                
         HA    100 LYS+ HB3    4869.00                
         HA    100 LYS+ HG2    1624.35                
         HA    100 LYS+ HG3    1429.00                
         HA    100 LYS+ HD2     276.05                
         HA    100 LYS+ HD3     276.05                
         HA    100 LYS+ HE2     201.74                
         HA    100 LYS+ HE3     201.74                
         HA    101 LEU  HN      782.00                
         HA    102 THR  HN      463.40                
         HA    107 SER  HA     1281.95                
         HA    108 ALA  HN      886.50                
         HB2   100 LYS+ HE2    2005.55                
         HB2   100 LYS+ HE3    2005.55                
         HB2   101 LEU  HN      356.80                
         HB2   101 LEU  HA      109.86                
         HB2   101 LEU  QD2     473.70                
         HB2   108 ALA  HN      207.03                
         HB3   100 LYS+ HE2    2005.55                
         HB3   100 LYS+ HE3    2005.55                
         HB3   101 LEU  HN      356.80                
         HB3   101 LEU  HA      109.86                
         HB3   101 LEU  QD2     473.70                
         HB3   108 ALA  HN      207.03                
         HG2   100 LYS+ HE2     340.70                
         HG2   100 LYS+ HE3     340.70                
         HG2   101 LEU  HN     1084.75                
         HG2   101 LEU  HA      221.70                
         HG2   101 LEU  QD1     760.86                
         HG2   101 LEU  QD2     108.04                
         HG2   108 ALA  HN      147.71                
         HG3   100 LYS+ HE2     673.87                
         HG3   100 LYS+ HE3     673.87                
         HG3   101 LEU  HN      320.76                
         HG3   101 LEU  HA      512.95                
         HG3   101 LEU  QD2     503.95                
         HG3   108 ALA  HN      291.00                
         HD2   100 LYS+ HE2     475.75                
         HD2   100 LYS+ HE3     475.75                
         HD2   101 LEU  HN     1616.50                
         HD2   101 LEU  QD2    1938.94                
         HD2   108 ALA  HN      207.60                
         HD3   100 LYS+ HE2     475.75                
         HD3   100 LYS+ HE3     475.75                
         HD3   101 LEU  HN     1616.50                
         HD3   101 LEU  QD2    1938.94                
         HD3   108 ALA  HN      207.60                
         HE2   101 LEU  QD1     415.31                
         HE2   101 LEU  QD2     156.27                
         HE3   101 LEU  QD1     415.31                
         HE3   101 LEU  QD2     156.27                
101 LEU  
         HN    101 LEU  HA      558.80                
         HN    101 LEU  HB2     645.70                
         HN    101 LEU  HB3    1716.00                
         HN    101 LEU  HG     1616.50                
         HN    101 LEU  QD1    1716.00                
         HN    101 LEU  QD2     341.55                
         HN    102 THR  HN     1042.15                
         HN    102 THR  QG2     148.76                
         HN    102 THR  HG1     184.04                
         HN    103 GLY  HN      219.20                
         HA    101 LEU  HB2    3669.39                
         HA    101 LEU  HB3    1419.50                
         HA    101 LEU  HG     2426.99                
         HA    101 LEU  QD1    1419.50                
         HA    101 LEU  QD2    1783.50                
         HA    102 THR  HN      364.30                
         HA    102 THR  HA      121.93                
         HA    102 THR  QG2     124.47                
         HA    103 GLY  HN      452.35                
         HA    108 ALA  HN      157.76                
         HA    108 ALA  QB     1856.24                
         HA    109 HEMC HN       88.42                
         HA    109 HEMC QM3     420.74                
         HB2   101 LEU  HB3    3568.98                
         HB2   101 LEU  QD1    5091.00                
         HB2   101 LEU  QD2     458.75                
         HB2   102 THR  HN      269.85                
         HB2   102 THR  HA      107.87                
         HB2   102 THR  QG2     843.80                
         HB3   101 LEU  HG     1527.41                
         HB3   101 LEU  QD2    1808.56                
         HB3   102 THR  HN      210.00                
         HB3   102 THR  HA      100.70                
         HB3   102 THR  QG2     450.00                
         HG    101 LEU  QD1    2934.50                
         HG    101 LEU  QD2    1985.50                
         HG    102 THR  HN      135.15                
         QD1   101 LEU  QD2    1994.00                
         QD1   102 THR  HN      210.00                
         QD1   102 THR  HA       96.57                
         QD1   102 THR  QG2     380.01                
         QD2   102 THR  HN      113.68                
         QD2   102 THR  HA       89.34                
         QD2   102 THR  QG2     118.54                
         QD2   108 ALA  HN      123.15                
         QD2   108 ALA  QB      659.80                
102 THR  
         HN    102 THR  HA      386.45                
         HN    102 THR  HB      180.51                
         HN    102 THR  QG2     450.60                
         HN    103 GLY  HA1     801.85                
         HN    103 GLY  HA2     463.40                
         HN    109 HEMC QM3     188.42                
         HA    102 THR  HB     1663.51                
         HA    102 THR  QG2    1024.95                
         HA    103 GLY  HN      238.50                
         HA    103 GLY  HA2     100.75                
         HA    109 HEMC QM3    1650.59                
         HA    109 HEMC HT2A    102.15                
         HA    109 HEMC QT2     116.91                
         HA    109 HEMC HAM     163.01                
         HB    102 THR  QG2    1872.50                
         HB    103 GLY  HN       86.19                
         HB    109 HEMC QM3     416.45                
         HB    109 HEMC HAM     107.24                
         QG2   103 GLY  HN      191.55                
         HG1   103 GLY  HN       87.56                
103 GLY  
         HN    103 GLY  HA1     623.30                
         HN    103 GLY  HA2    1042.55                
         HN    104 CYSH HN      165.57                
         HN    105 LYS+ HN      117.18                
         HN    107 SER  HB2     299.75                
         HN    107 SER  HB3     225.98                
         HN    108 ALA  HN      124.16                
         HN    109 HEMC QM3    1983.50                
         HA1   103 GLY  HA2    2971.00                
         HA1   104 CYSH HN     2808.00                
         HA1   104 CYSH HA      128.79                
         HA1   105 LYS+ HN      105.67                
         HA1   107 SER  HB2    2100.00                
         HA1   109 HEMC HT2A    111.90                
         HA2   104 CYSH HN      577.40                
         HA2   104 CYSH HA       94.46                
         HA2   105 LYS+ HN      212.40                
         HA2   107 SER  HB2    1201.99                
         HA2   107 SER  HB3     860.40                
         HA2   109 HEMC HT2A     90.55                
         HA2   109 HEMC HAM     123.36                
104 CYSH 
         HN    104 CYSH HA      981.55                
         HN    104 CYSH HB2     932.85                
         HN    104 CYSH HB3     289.00                
         HN    105 LYS+ HN      758.25                
         HN    109 HEMC HT2A    254.85                
         HN    109 HEMC HAM     246.53                
         HA    104 CYSH HB2     645.15                
         HA    104 CYSH HB3     818.15                
         HA    105 LYS+ HN      203.45                
         HA    107 SER  HG      131.49                
         HA    109 HEMC HDM      85.03                
         HA    109 HEMC HT2A   1147.03                
         HA    109 HEMC QT2     357.05                
         HA    109 HEMC HAM     724.60                
         HA    110 HISH HB2     129.90                
         HA    110 HISH HD2     376.85                
         HB2   104 CYSH HB3    2469.50                
         HB2   105 LYS+ HN      319.70                
         HB2   109 HEMC HDM      99.72                
         HB2   109 HEMC HT2A    193.44                
         HB3   105 LYS+ HN      227.30                
         HB3   109 HEMC HT2A    351.55                
         HB3   109 HEMC HAM     159.93                
         HB3   110 HISH HD2     205.46                
105 LYS+ 
         HN    105 LYS+ HA      355.75                
         HN    105 LYS+ HB2     754.45                
         HN    105 LYS+ HB3     754.45                
         HN    105 LYS+ HG2     624.00                
         HN    105 LYS+ HG3     936.00                
         HN    105 LYS+ HD2     754.45                
         HN    105 LYS+ HD3     754.45                
         HN    106 GLY  HN      136.90                
         HN    109 HEMC HT2A    137.40                
         HN    110 HISH HD2      98.65                
         HA    105 LYS+ HB2    1439.50                
         HA    105 LYS+ HB3    1439.50                
         HA    105 LYS+ HG2     210.65                
         HA    105 LYS+ HG3     265.78                
         HA    105 LYS+ HD2    1439.50                
         HA    105 LYS+ HD3    1439.50                
         HA    106 GLY  HN     1307.00                
         HA    107 SER  HN      700.90                
         HA    110 HISH HN       96.62                
         HA    110 HISH HB2    1947.00                
         HA    110 HISH HD2     100.43                
         HB2   106 GLY  HN      378.10                
         HB3   106 GLY  HN      378.10                
         HG2   106 GLY  HN      522.00                
         HG3   106 GLY  HN      522.00                
         HD2   105 LYS+ HE2     613.30                
         HD2   105 LYS+ HE3     613.30                
         HD2   106 GLY  HN      448.00                
         HD2   106 GLY  HA2     312.00                
         HD2   112 SER  HB2      97.07                
         HD2   112 SER  HB3      97.07                
         HD3   105 LYS+ HE2     613.30                
         HD3   105 LYS+ HE3     613.30                
         HD3   106 GLY  HN      448.00                
         HD3   106 GLY  HA2     312.00                
         HD3   112 SER  HB2      97.07                
         HD3   112 SER  HB3      97.07                
         HE2   106 GLY  HA2     120.35                
         HE3   106 GLY  HA2     120.35                
106 GLY  
         HN    106 GLY  HA1    1334.90                
         HN    106 GLY  HA2     811.45                
         HN    107 SER  HN     1067.10                
         HN    110 HISH HN      121.39                
         HN    110 HISH HB3     990.35                
         HN    111 FPR  HA      289.75                
         HN    112 SER  HN      211.10                
         HN    112 SER  HB2     186.45                
         HN    112 SER  HB3     186.45                
         HA1   106 GLY  HA2    4278.23                
         HA1   107 SER  HN      376.85                
         HA1   107 SER  HA      509.30                
         HA1   112 SER  HN      227.70                
         HA2   107 SER  HN      484.80                
         HA2   107 SER  HA      247.43                
107 SER  
         HN    107 SER  HA      422.05                
         HN    107 SER  HB2     285.75                
         HN    107 SER  HB3     832.70                
         HN    107 SER  HG      309.60                
         HN    108 ALA  HN      130.74                
         HN    109 HEMC HN      170.88                
         HN    110 HISH HN      282.70                
         HN    111 FPR  HA      679.35                
         HN    112 SER  HN      112.96                
         HA    107 SER  HB2     980.70                
         HA    107 SER  HB3     810.54                
         HA    107 SER  HG     7996.00                
         HA    108 ALA  HN      850.30                
         HA    108 ALA  QB      292.80                
         HA    109 HEMC HN      172.00                
         HA    110 HISH HN       90.65                
         HB2   107 SER  HB3    2122.95                
         HB2   108 ALA  HN     1411.00                
         HB2   109 HEMC HN     1435.20                
         HB2   109 HEMC QM3     168.43                
         HB2   110 HISH HN      246.40                
         HB3   107 SER  HG     1192.75                
         HB3   108 ALA  HN      379.45                
         HB3   109 HEMC HN      209.40                
         HB3   109 HEMC QM3     189.30                
         HB3   109 HEMC HAM      99.58                
         HB3   110 HISH HN      180.52                
         HG    108 ALA  HN      389.18                
         HG    109 HEMC HN      296.30                
         HG    109 HEMC QM3     757.45                
         HG    109 HEMC HAM     101.81                
         HG    110 HISH HN      649.10                
108 ALA  
         HN    108 ALA  HA     1463.00                
         HN    108 ALA  QB     1225.40                
         HN    109 HEMC HN      719.15                
         HN    109 HEMC HB2     106.17                
         HN    109 HEMC QM3     107.62                
         HN    110 HISH HN      162.07                
         HA    108 ALA  QB     2015.00                
         HA    109 HEMC HN     1435.20                
         HA    110 HISH HN      246.40                
         HA    111 FPR  HB2     902.82                
         HA    111 FPR  HB3     902.82                
         QB    109 HEMC HN      518.85                
         QB    109 HEMC HA      637.15                
109 HEMC 
         HN    109 HEMC HA      547.25                
         HN    109 HEMC HB2     712.85                
         HN    109 HEMC HB3     333.50                
         HN    109 HEMC HT4A    136.20                
         HN    109 HEMC QM3     206.43                
         HN    110 HISH HN     1009.35                
         HN    111 FPR  HD3     119.01                
         HA    109 HEMC HB2     409.79                
         HA    109 HEMC HB3     502.91                
         HA    109 HEMC HT4A    116.43                
         HA    109 HEMC QM3     416.45                
         HA    109 HEMC HBM     125.09                
         HA    110 HISH HN      197.26                
         HB2   109 HEMC HT4A    287.09                
         HB2   109 HEMC HBM     175.64                
         HB2   110 HISH HN     1173.25                
         HB2   110 HISH HA      477.40                
         HB2   110 HISH HD1     353.15                
         HB3   109 HEMC HT4A    368.45                
         HB3   109 HEMC QT4     711.04                
         HB3   109 HEMC HBM     265.08                
         HB3   110 HISH HN      363.65                
         HB3   110 HISH HD1      98.56                
         HB3   110 HISH HD2    1541.35                
         QM3   110 HISH HN      196.10                
         HBM   110 HISH HE1      90.64                
         QM5   109 HEMC HA62    418.32                
         HA62  109 HEMC HA63    372.64                
         HA62  109 HEMC HB62    501.07                
         HA62  109 HEMC HB63    501.07                
         HA62  109 HEMC HGM     519.65                
         HA63  109 HEMC HB62    595.59                
         HA63  109 HEMC HB63    595.59                
         HA63  109 HEMC HGM     867.30                
         HB62  109 HEMC HGM     309.55                
         HB63  109 HEMC HGM     309.55                
         HGM   109 HEMC HA72    929.25                
         HGM   109 HEMC HA73    266.40                
         HGM   109 HEMC HB72    253.45                
         HGM   109 HEMC HB73    286.85                
         HGM   110 HISH HE1     147.93                
         HA72  109 HEMC HA73    962.71                
         HA72  109 HEMC HB72    797.54                
         HA72  109 HEMC HB73    239.23                
         HA73  109 HEMC HB72   4085.50                
         HA73  109 HEMC HB73    567.13                
         HA73  109 HEMC QM8    1289.91                
         HB72  109 HEMC HB73   4258.00                
         HDM   110 HISH HD2      96.38                
         HT2A  110 HISH HD2     185.62                
         HAM   110 HISH HD2     240.03                
110 HISH 
         HN    110 HISH HA      388.55                
         HN    110 HISH HB2    1173.25                
         HN    110 HISH HB3     293.65                
         HN    110 HISH HD1     135.58                
         HN    110 HISH HD2     162.35                
         HN    111 FPR  HD2     128.44                
         HN    111 FPR  HD3     225.15                
         HN    111 FPR  HG2     124.74                
         HN    111 FPR  HG3     124.74                
         HN    111 FPR  HA      103.84                
         HA    110 HISH HB2     477.40                
         HA    110 HISH HB3     814.10                
         HA    110 HISH HD1    1042.35                
         HA    110 HISH HD2     207.90                
         HA    111 FPR  HD2    3246.00                
         HA    111 FPR  HD3    1111.25                
         HA    111 FPR  HG2     869.81                
         HA    111 FPR  HG3     869.81                
         HB2   110 HISH HD1     353.15                
         HB2   111 FPR  HD2     240.24                
         HB3   110 HISH HD1     318.25                
         HD1   110 HISH HD2     115.71                
         HD1   110 HISH HE1    1037.60                
         HD1   111 FPR  HD2     214.40                
         HD1   111 FPR  HD3     158.96                
111 FPR  
         HD2   111 FPR  HD3     716.20                
         HD2   111 FPR  HG2     666.35                
         HD2   111 FPR  HG3     666.35                
         HD2   111 FPR  HA      257.95                
         HD2   111 FPR  HB2     255.17                
         HD2   111 FPR  HB3     255.17                
         HD2   112 SER  HN      242.65                
         HD3   111 FPR  HG2     474.73                
         HD3   111 FPR  HG3     575.22                
         HD3   111 FPR  HA      162.61                
         HD3   111 FPR  HB2     187.08                
         HD3   111 FPR  HB3     187.08                
         HD3   112 SER  HN      186.10                
         HG2   111 FPR  HA      694.22                
         HG2   111 FPR  HB2    3136.72                
         HG2   111 FPR  HB3    3136.72                
         HG2   112 SER  HN     1631.50                
         HG3   111 FPR  HA      694.22                
         HG3   111 FPR  HB2    3136.72                
         HG3   111 FPR  HB3    3136.72                
         HG3   112 SER  HN     1631.50                
         HA    111 FPR  HB2    1262.00                
         HA    111 FPR  HB3    1262.00                
         HA    112 SER  HN      937.70                
         HB2   112 SER  HN      236.90                
         HB3   112 SER  HN      236.90                
112 SER  
         HN    112 SER  HA      536.10                
         HN    112 SER  HB2     576.55                
         HN    112 SER  HB3     576.55                
         HA    112 SER  HB2     347.20                
         HA    112 SER  HB3     356.52                
#Fixed upper limits
 34 CYSH
         QCA    37 HEMC CAB     0.10  1.00E+01
         QCB    37 HEMC CBB     0.10  1.00E+01
         QC3    37 HEMC C3B     0.10  1.00E+01
 37 HEMC
         QC1C   37 HEMC C1C     0.10  1.00E+01
         QC2C   37 HEMC C2C     0.10  1.00E+01
         NA     26 HISH NE2     2.80  1.00E+01
         NB     26 HISH NE2     2.80  1.00E+01
         NC     26 HISH NE2     2.80  1.00E+01
         ND     26 HISH NE2     2.80  1.00E+01
         NA     38 HISH NE2     2.80  1.00E+01
         NB     38 HISH NE2     2.80  1.00E+01
         NC     38 HISH NE2     2.80  1.00E+01
         ND     38 HISH NE2     2.80  1.00E+01
         QNC    37 HEMC NC      0.10  1.00E+01
         NA     38 HISH QFE     2.10  1.00E+01
         NB     38 HISH QFE     2.10  1.00E+01
         NC     38 HISH QFE     2.10  1.00E+01
         ND     38 HISH QFE     2.10  1.00E+01
 26 HISH
         QFE    38 HISH QFE     0.10  1.00E+01
 49 CYSH
         QCA    54 HEMC CAB     0.10  1.00E+01
         QCB    54 HEMC CBB     0.10  1.00E+01
         QC3    54 HEMC C3B     0.10  1.00E+01
 54 HEMC
         QC1C   54 HEMC C1C     0.10  1.00E+01
         QC2C   54 HEMC C2C     0.10  1.00E+01
         NA     39 HISH NE2     2.80  1.00E+01
         NB     39 HISH NE2     2.80  1.00E+01
         NC     39 HISH NE2     2.80  1.00E+01
         ND     39 HISH NE2     2.80  1.00E+01
         NA     55 HISH NE2     2.80  1.00E+01
         NB     55 HISH NE2     2.80  1.00E+01
         NC     55 HISH NE2     2.80  1.00E+01
         ND     55 HISH NE2     2.80  1.00E+01
         QNC    54 HEMC NC      0.10  1.00E+01
         NA     55 HISH QFE     2.10  1.00E+01
         NB     55 HISH QFE     2.10  1.00E+01
         NC     55 HISH QFE     2.10  1.00E+01
         ND     55 HISH QFE     2.10  1.00E+01
 39 HISH
         QFE    55 HISH QFE     0.10  1.00E+01
 83 CYSH
         QCA    86 HEMC CAB     0.10  1.00E+01
         QCB    86 HEMC CBB     0.10  1.00E+01
         QC3    86 HEMC C3B     0.10  1.00E+01
 86 HEMC
         QC1C   86 HEMC C1C     0.10  1.00E+01
         QC2C   86 HEMC C2C     0.10  1.00E+01
         NA     29 HISH NE2     2.80  1.00E+01
         NB     29 HISH NE2     2.80  1.00E+01
         NC     29 HISH NE2     2.80  1.00E+01
         ND     29 HISH NE2     2.80  1.00E+01
         NA     87 HISH NE2     2.80  1.00E+01
         NB     87 HISH NE2     2.80  1.00E+01
         NC     87 HISH NE2     2.80  1.00E+01
         ND     87 HISH NE2     2.80  1.00E+01
         QNC    86 HEMC NC      0.10  1.00E+01
         NA     87 HISH QFE     2.10  1.00E+01
         NB     87 HISH QFE     2.10  1.00E+01
         NC     87 HISH QFE     2.10  1.00E+01
         ND     87 HISH QFE     2.10  1.00E+01
 29 HISH
         QFE    87 HISH QFE     0.10  1.00E+01
104 CYSH
         QCA   109 HEMC CAB     0.10  1.00E+01
         QCB   109 HEMC CBB     0.10  1.00E+01
         QC3   109 HEMC C3B     0.10  1.00E+01
109 HEMC
         QC1C  109 HEMC C1C     0.10  1.00E+01
         QC2C  109 HEMC C2C     0.10  1.00E+01
         NA     73 HISH NE2     2.80  1.00E+01
         NB     73 HISH NE2     2.80  1.00E+01
         NC     73 HISH NE2     2.80  1.00E+01
         ND     73 HISH NE2     2.80  1.00E+01
         NA    110 HISH NE2     2.80  1.00E+01
         NB    110 HISH NE2     2.80  1.00E+01
         NC    110 HISH NE2     2.80  1.00E+01
         ND    110 HISH NE2     2.80  1.00E+01
         QNC   109 HEMC NC      0.10  1.00E+01
         NA    110 HISH QFE     2.10  1.00E+01
         NB    110 HISH QFE     2.10  1.00E+01
         NC    110 HISH QFE     2.10  1.00E+01
         ND    110 HISH QFE     2.10  1.00E+01
 73 HISH
         QFE   110 HISH QFE     0.10  1.00E+01
  4 FPR 
         CG      4 FPR  QCG     0.10  1.00E+01
         CD      4 FPR  QCD     0.10  1.00E+01
 41 FPR 
         CG     41 FPR  QCG     0.10  1.00E+01
         CD     41 FPR  QCD     0.10  1.00E+01
111 FPR 
         CG    111 FPR  QCG     0.10  1.00E+01
         CD    111 FPR  QCD     0.10  1.00E+01
 81 FPR  
         CG     81 FPR  QCG     0.10  1.00E+01
         CD     81 FPR  QCD     0.10  1.00E+01
#PHI torsion angle restraints
   3 VAL   PHI    -155.0   -55.0
   5 ALA   PHI      35.0   315.0
   8 ALA   PHI      45.0   305.0
  10 ILE   PHI    -165.0   -75.0
  11 ASP-  PHI    -175.0   -75.0
  12 PHEF  PHI    -175.0   -65.0
  13 ILE   PHI    -155.0   -75.0
  18 LYS+  PHI    -165.0   -75.0
  20 LEU   PHI    -165.0   -75.0
  21 THR   PHI      45.0   285.0
  26 HISH  PHI      35.0   285.0
  27 SER   PHI     175.0   305.0
  28 THR   PHI    -155.0   -75.0
  29 HISH  PHI    -165.0   -75.0
  30 LYS+  PHI      35.0   305.0
  31 ASP-  PHI    -145.0   -65.0
  32 VAL   PHI    -165.0   -75.0
  33 LYS+  PHI      35.0   315.0
  35 ASP-  PHI    -105.0   -55.0
  36 ASP-  PHI    -165.0   -65.0
  37 HEMC  PHI    -165.0   -75.0
  40 GLN   PHI    -165.0   -75.0
  44 LYS+  PHI    -155.0   -85.0
  46 TYRF  PHI    -155.0   -85.0
  47 ALA   PHI      35.0   305.0
  51 THR   PHI     -95.0   -55.0
  52 ASP-  PHI     165.0   315.0
  54 HEMC  PHI      35.0   285.0
  55 HISH  PHI    -165.0   -75.0
  56 ASN   PHI      35.0   295.0
  57 ILE   PHI    -165.0    45.0
  59 ASP-  PHI    -175.0   -65.0
  61 ALA   PHI      35.0   295.0
  62 ASP-  PHI    -125.0   -65.0
  64 SER   PHI    -175.0   -65.0
  65 VAL   PHI     -95.0   -55.0
  67 SER   PHI     175.0   305.0
  70 LYS+  PHI    -175.0   -55.0
  71 VAL   PHI    -175.0   -65.0
  72 VAL   PHI    -105.0   -65.0
  73 HISH  PHI    -155.0   -85.0
  74 ASP-  PHI      35.0   305.0
  75 ALA   PHI     175.0   305.0
  76 LYS+  PHI    -175.0    55.0
  80 LYS+  PHI     175.0   305.0
  82 THR   PHI    -165.0   -75.0
  84 ILE   PHI    -135.0   -65.0
  85 SER   PHI      35.0   305.0
  86 HEMC  PHI      85.0   305.0
  87 HISH  PHI     -95.0   -45.0
  88 LYS+  PHI     165.0   315.0
  89 ASP-  PHI     -75.0   -45.0
  90 LYS+  PHI      85.0   305.0
  91 ALA   PHI      35.0   315.0
  94 ASP-  PHI     -95.0   -55.0
  96 GLU-  PHI      55.0   295.0
  97 LEU   PHI    -175.0   -65.0
  98 LYS+  PHI     -85.0   -45.0
  99 LYS+  PHI      35.0   305.0
 101 LEU   PHI    -165.0   -75.0
 102 THR   PHI    -155.0   -85.0
 105 LYS+  PHI    -175.0   -65.0
 107 SER   PHI    -165.0   -75.0
 108 ALA   PHI      35.0   305.0
 109 HEMC  PHI    -165.0   -55.0
 110 HISH  PHI    -155.0   -85.0
 112 SER   PHI    -175.0   -65.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H1       VAL   1   8.717   9.367  17.528
    2    H2   VAL   1           H2       VAL   1   8.717   7.711  17.528
    3    H3   VAL   1           H3       VAL   1   9.946   8.539  18.266
    4    HA   VAL   1           HA       VAL   1  11.085   8.782  16.477
    5    HB   VAL   1           HB       VAL   1  10.626   6.484  16.235
    6   1HG1  VAL   1          1HG1      VAL   1   7.895   7.395  15.387
    7   2HG1  VAL   1          2HG1      VAL   1   8.519   5.840  14.787
    8   3HG1  VAL   1          3HG1      VAL   1   8.367   6.123  16.538
    9   1HG2  VAL   1          1HG2      VAL   1  11.518   7.802  14.209
   10   2HG2  VAL   1          2HG2      VAL   1  10.927   6.147  13.930
   11   3HG2  VAL   1          3HG2      VAL   1   9.908   7.541  13.498
   12    H    ASP   2           H        ASP   2   7.883   9.923  16.562
   13    HA   ASP   2           HA       ASP   2   6.808  11.471  15.492
   14   1HB   ASP   2          1HB       ASP   2   9.628  12.163  15.103
   15   2HB   ASP   2          2HB       ASP   2   8.672  12.713  13.741
   16    H    VAL   3           H        VAL   3   5.385  10.875  13.851
   17    HA   VAL   3           HA       VAL   3   6.005   9.083  11.849
   18    HB   VAL   3           HB       VAL   3   3.764  10.048  12.850
   19   1HG1  VAL   3          1HG1      VAL   3   4.099  11.669  10.303
   20   2HG1  VAL   3          2HG1      VAL   3   2.592  11.508  11.237
   21   3HG1  VAL   3          3HG1      VAL   3   4.007  12.309  11.962
   22   1HG2  VAL   3          1HG2      VAL   3   3.967   8.060  11.418
   23   2HG2  VAL   3          2HG2      VAL   3   2.543   9.034  10.980
   24   3HG2  VAL   3          3HG2      VAL   3   4.010   9.101   9.974
   25    HA   PRO   4           HA       PRO   4   8.810  11.247   9.232
   26   1HB   PRO   4          1HB       PRO   4   7.399   9.455   7.227
   27   2HB   PRO   4          2HB       PRO   4   9.147   9.749   7.503
   28   1HG   PRO   4          1HG       PRO   4   8.163   7.464   8.623
   29   2HG   PRO   4          2HG       PRO   4   9.385   8.557   9.351
   30   1HD   PRO   4          1HD       PRO   4   6.412   8.250   9.939
   31   2HD   PRO   4          2HD       PRO   4   7.762   8.558  11.073
   32    H    ALA   5           H        ALA   5   8.639  12.648   7.207
   33    HA   ALA   5           HA       ALA   5   6.072  13.987   7.256
   34   1HB   ALA   5          1HB       ALA   5   7.862  15.496   7.364
   35   2HB   ALA   5          3HB       ALA   5   8.837  14.578   6.191
   36   3HB   ALA   5          2HB       ALA   5   7.436  15.526   5.636
   37    H    ASP   6           H        ASP   6   4.825  14.418   5.315
   38    HA   ASP   6           HA       ASP   6   4.424  12.194   3.785
   39   1HB   ASP   6          1HB       ASP   6   2.801  13.465   2.679
   40   2HB   ASP   6          2HB       ASP   6   2.997  14.382   4.160
   41    H    GLY   7           H        GLY   7   4.264  13.256   1.057
   42   1HA   GLY   7          2HA       GLY   7   6.736  14.342   0.192
   43   2HA   GLY   7          1HA       GLY   7   5.489  13.610  -0.799
   44    H    ALA   8           H        ALA   8   5.538  11.044   0.833
   45    HA   ALA   8           HA       ALA   8   8.215  10.050   0.334
   46   1HB   ALA   8          1HB       ALA   8   5.757   9.146   1.798
   47   2HB   ALA   8          2HB       ALA   8   7.453   9.189   2.336
   48   3HB   ALA   8          3HB       ALA   8   6.900   7.905   1.233
   49    H    LYS   9           H        LYS   9   8.787   8.648  -1.317
   50    HA   LYS   9           HA       LYS   9   6.622   7.995  -3.193
   51   1HB   LYS   9          1HB       LYS   9   9.485   8.809  -3.760
   52   2HB   LYS   9          2HB       LYS   9   8.414   8.118  -4.962
   53   1HG   LYS   9          1HG       LYS   9   6.962   9.987  -4.947
   54   2HG   LYS   9          2HG       LYS   9   7.465  10.497  -3.348
   55   1HD   LYS   9          1HD       LYS   9   9.810  10.917  -4.411
   56   2HD   LYS   9          2HD       LYS   9   9.003  10.768  -5.960
   57   1HE   LYS   9          2HE       LYS   9   9.015  13.120  -5.430
   58   2HE   LYS   9          1HE       LYS   9   7.366  12.575  -5.194
   59   1HZ   LYS   9          1HZ       LYS   9   8.490  12.155  -2.796
   60   2HZ   LYS   9          2HZ       LYS   9   9.233  13.528  -3.272
   61   3HZ   LYS   9          3HZ       LYS   9   7.603  13.467  -3.196
   62    H    ILE  10           H        ILE  10   6.517   5.887  -3.980
   63    HA   ILE  10           HA       ILE  10   8.434   4.048  -2.725
   64    HB   ILE  10           HB       ILE  10   5.555   3.532  -3.474
   65   1HG1  ILE  10          1HG1      ILE  10   6.545   3.651  -0.646
   66   2HG1  ILE  10          2HG1      ILE  10   6.179   5.148  -1.479
   67   1HG2  ILE  10          1HG2      ILE  10   7.138   1.580  -3.566
   68   2HG2  ILE  10          2HG2      ILE  10   7.422   1.816  -1.824
   69   3HG2  ILE  10          3HG2      ILE  10   5.791   1.414  -2.414
   70   1HD1  ILE  10          1HD1      ILE  10   3.948   3.794  -2.162
   71   2HD1  ILE  10          2HD1      ILE  10   4.334   2.927  -0.656
   72   3HD1  ILE  10          3HD1      ILE  10   4.075   4.688  -0.628
   73    H    ASP  11           H        ASP  11   9.581   2.673  -4.030
   74    HA   ASP  11           HA       ASP  11   8.640   2.086  -6.634
   75   1HB   ASP  11          1HB       ASP  11   9.578   4.130  -7.359
   76   2HB   ASP  11          2HB       ASP  11  10.880   4.065  -6.188
   77    H    PHE  12           H        PHE  12   8.919  -0.091  -5.732
   78    HA   PHE  12           HA       PHE  12  11.727  -0.822  -5.287
   79   1HB   PHE  12          1HB       PHE  12   9.101  -2.126  -4.351
   80   2HB   PHE  12          2HB       PHE  12  10.705  -2.655  -3.885
   81    HD1  PHE  12           HD1      PHE  12  11.947   0.046  -3.378
   82    HD2  PHE  12           HD2      PHE  12   8.182  -1.564  -2.267
   83    HE1  PHE  12           HE1      PHE  12  11.877   1.582  -1.394
   84    HE2  PHE  12           HE2      PHE  12   8.111  -0.028  -0.282
   85    HZ   PHE  12           HZ       PHE  12   9.960   1.526   0.130
   86    H    ILE  13           H        ILE  13   8.748  -1.382  -7.099
   87    HA   ILE  13           HA       ILE  13   9.926  -3.769  -8.308
   88    HB   ILE  13           HB       ILE  13   7.124  -2.647  -8.384
   89   1HG1  ILE  13          1HG1      ILE  13   8.069  -5.219  -7.107
   90   2HG1  ILE  13          2HG1      ILE  13   8.008  -3.705  -6.227
   91   1HG2  ILE  13          1HG2      ILE  13   8.450  -4.829  -9.926
   92   2HG2  ILE  13          2HG2      ILE  13   6.787  -5.098  -9.350
   93   3HG2  ILE  13          3HG2      ILE  13   7.152  -3.708 -10.401
   94   1HD1  ILE  13          1HD1      ILE  13   5.594  -4.755  -7.754
   95   2HD1  ILE  13          2HD1      ILE  13   5.926  -5.223  -6.070
   96   3HD1  ILE  13          3HD1      ILE  13   5.633  -3.516  -6.478
   97    H    ALA  14           H        ALA  14  11.451  -3.030  -9.762
   98    HA   ALA  14           HA       ALA  14  10.951  -0.733 -11.370
   99   1HB   ALA  14          1HB       ALA  14  13.099  -2.791 -11.021
  100   2HB   ALA  14          2HB       ALA  14  13.208  -1.014 -11.019
  101   3HB   ALA  14          3HB       ALA  14  13.059  -1.895 -12.559
  102    H    GLY  15           H        GLY  15  11.397  -1.091 -13.909
  103   1HA   GLY  15          2HA       GLY  15   9.308  -1.819 -15.252
  104   2HA   GLY  15          1HA       GLY  15   9.881  -3.427 -14.852
  105    H    GLY  16           H        GLY  16   9.802  -3.135 -17.458
  106   1HA   GLY  16          2HA       GLY  16  10.929  -2.839 -19.405
  107   2HA   GLY  16          1HA       GLY  16  12.200  -3.658 -18.519
  108    H    GLU  17           H        GLU  17  10.747  -0.329 -18.773
  109    HA   GLU  17           HA       GLU  17  13.356   0.762 -18.232
  110   1HB   GLU  17          1HB       GLU  17  12.887   0.337 -20.826
  111   2HB   GLU  17          2HB       GLU  17  11.949   1.810 -20.687
  112   1HG   GLU  17          1HG       GLU  17  14.274   2.324 -21.357
  113   2HG   GLU  17          2HG       GLU  17  13.919   3.019 -19.788
  114    H    LYS  18           H        LYS  18  10.608   0.612 -16.974
  115    HA   LYS  18           HA       LYS  18  10.295   3.494 -16.630
  116   1HB   LYS  18          1HB       LYS  18   8.428   1.820 -18.009
  117   2HB   LYS  18          2HB       LYS  18   7.704   2.296 -16.486
  118   1HG   LYS  18          1HG       LYS  18   8.245   4.690 -16.975
  119   2HG   LYS  18          2HG       LYS  18   8.974   4.217 -18.496
  120   1HD   LYS  18          1HD       LYS  18   6.880   3.529 -19.429
  121   2HD   LYS  18          2HD       LYS  18   6.105   3.444 -17.859
  122   1HE   LYS  18          1HE       LYS  18   6.326   5.942 -17.634
  123   2HE   LYS  18          2HE       LYS  18   7.056   6.009 -19.226
  124   1HZ   LYS  18          1HZ       LYS  18   4.462   4.723 -18.883
  125   2HZ   LYS  18          2HZ       LYS  18   4.554   6.351 -18.985
  126   3HZ   LYS  18          3HZ       LYS  18   5.091   5.423 -20.217
  127    H    ASN  19           H        ASN  19   8.166   3.353 -14.762
  128    HA   ASN  19           HA       ASN  19   8.469   1.382 -12.874
  129   1HB   ASN  19          1HB       ASN  19   9.707   2.770 -11.092
  130   2HB   ASN  19          2HB       ASN  19  10.712   2.137 -12.380
  131   2HD2  ASN  19          2HD2      ASN  19  11.894   4.043 -11.209
  132   1HD2  ASN  19          1HD2      ASN  19  11.819   5.573 -12.019
  133    H    LEU  20           H        LEU  20   6.544   1.601 -11.709
  134    HA   LEU  20           HA       LEU  20   5.153   4.128 -11.890
  135   1HB   LEU  20          1HB       LEU  20   4.378   1.401 -10.854
  136   2HB   LEU  20          2HB       LEU  20   3.325   2.801 -10.785
  137    HG   LEU  20           HG       LEU  20   4.373   1.411 -13.261
  138   1HD1  LEU  20          1HD1      LEU  20   1.907   1.277 -11.702
  139   2HD1  LEU  20          2HD1      LEU  20   1.621   1.618 -13.426
  140   3HD1  LEU  20          3HD1      LEU  20   2.545   0.175 -12.946
  141   1HD2  LEU  20          1HD2      LEU  20   3.436   4.167 -12.914
  142   2HD2  LEU  20          2HD2      LEU  20   4.314   3.408 -14.263
  143   3HD2  LEU  20          3HD2      LEU  20   2.544   3.257 -14.156
  144    H    THR  21           H        THR  21   6.059   5.642 -10.533
  145    HA   THR  21           HA       THR  21   6.732   4.832  -7.820
  146    HB   THR  21           HB       THR  21   6.943   7.643  -8.936
  147    HG1  THR  21           HG1      THR  21   8.991   6.748  -9.911
  148   1HG2  THR  21          1HG2      THR  21   7.847   6.538  -6.595
  149   2HG2  THR  21          2HG2      THR  21   9.215   6.152  -7.666
  150   3HG2  THR  21          3HG2      THR  21   8.710   7.844  -7.443
  151    H    VAL  22           H        VAL  22   5.165   4.690  -6.345
  152    HA   VAL  22           HA       VAL  22   2.875   6.475  -6.643
  153    HB   VAL  22           HB       VAL  22   3.379   3.978  -5.020
  154   1HG1  VAL  22          1HG1      VAL  22   1.214   6.027  -4.834
  155   2HG1  VAL  22          2HG1      VAL  22   0.747   4.313  -4.714
  156   3HG1  VAL  22          3HG1      VAL  22   1.930   4.996  -3.573
  157   1HG2  VAL  22          1HG2      VAL  22   2.209   4.550  -7.648
  158   2HG2  VAL  22          2HG2      VAL  22   2.779   3.013  -6.955
  159   3HG2  VAL  22          3HG2      VAL  22   1.137   3.596  -6.595
  160    H    VAL  23           H        VAL  23   2.326   8.027  -5.108
  161    HA   VAL  23           HA       VAL  23   4.446   8.577  -3.172
  162    HB   VAL  23           HB       VAL  23   2.214  10.295  -4.274
  163   1HG1  VAL  23          1HG1      VAL  23   3.487  10.617  -1.852
  164   2HG1  VAL  23          2HG1      VAL  23   4.473  11.622  -2.940
  165   3HG1  VAL  23          3HG1      VAL  23   2.723  11.915  -2.801
  166   1HG2  VAL  23          1HG2      VAL  23   4.836   9.616  -5.287
  167   2HG2  VAL  23          2HG2      VAL  23   3.555  10.602  -6.030
  168   3HG2  VAL  23          3HG2      VAL  23   4.738  11.358  -4.936
  169    H    PHE  24           H        PHE  24   4.021   8.787  -0.951
  170    HA   PHE  24           HA       PHE  24   1.277   8.198  -0.132
  171   1HB   PHE  24          1HB       PHE  24   2.782   6.123  -0.172
  172   2HB   PHE  24          2HB       PHE  24   3.889   6.944   0.910
  173    HD1  PHE  24           HD1      PHE  24   0.240   6.137   0.757
  174    HD2  PHE  24           HD2      PHE  24   3.743   6.397   3.137
  175    HE1  PHE  24           HE1      PHE  24  -1.036   5.256   2.731
  176    HE2  PHE  24           HE2      PHE  24   2.468   5.517   5.111
  177    HZ   PHE  24           HZ       PHE  24   0.093   4.957   4.885
  178    H    ASN  25           H        ASN  25   0.767   8.898   2.067
  179    HA   ASN  25           HA       ASN  25   2.788  10.643   3.206
  180   1HB   ASN  25          1HB       ASN  25   1.266  12.116   1.926
  181   2HB   ASN  25          2HB       ASN  25  -0.138  11.367   2.659
  182   2HD2  ASN  25          2HD2      ASN  25  -0.457  13.747   3.067
  183   1HD2  ASN  25          1HD2      ASN  25   0.109  14.389   4.573
  184    H    HIS  26           H        HIS  26   2.717  10.649   5.529
  185    HA   HIS  26           HA       HIS  26   1.036   8.596   6.659
  186   1HB   HIS  26          1HB       HIS  26   3.500  10.065   7.457
  187   2HB   HIS  26          2HB       HIS  26   2.463   9.506   8.754
  188    HD1  HIS  26           HD1      HIS  26   4.504   8.187   5.831
  189    HD2  HIS  26           HD2      HIS  26   2.555   6.770   9.265
  190    HE1  HIS  26           HE1      HIS  26   5.202   5.747   6.094
  191    H    SER  27           H        SER  27   1.118  12.065   6.283
  192    HA   SER  27           HA       SER  27  -0.470  12.567   8.590
  193   1HB   SER  27          1HB       SER  27  -0.482  14.655   6.511
  194   2HB   SER  27          2HB       SER  27   0.031  14.751   8.184
  195    HG   SER  27           HG       SER  27   1.548  14.360   5.878
  196    H    THR  28           H        THR  28  -1.175  10.889   5.885
  197    HA   THR  28           HA       THR  28  -3.783  12.156   5.427
  198    HB   THR  28           HB       THR  28  -2.140  10.092   3.868
  199    HG1  THR  28           HG1      THR  28  -2.137  12.032   2.422
  200   1HG2  THR  28          1HG2      THR  28  -4.914  10.352   3.770
  201   2HG2  THR  28          2HG2      THR  28  -4.381  11.535   2.552
  202   3HG2  THR  28          3HG2      THR  28  -3.899   9.828   2.405
  203    H    HIS  29           H        HIS  29  -2.188   9.114   6.464
  204    HA   HIS  29           HA       HIS  29  -4.841   8.055   7.052
  205   1HB   HIS  29          2HB       HIS  29  -2.152   6.656   7.036
  206   2HB   HIS  29          1HB       HIS  29  -3.710   5.894   7.287
  207    HD1  HIS  29           HD1      HIS  29  -1.639   7.573   4.587
  208    HD2  HIS  29           HD2      HIS  29  -5.157   5.321   4.967
  209    HE1  HIS  29           HE1      HIS  29  -2.347   6.947   2.217
  210    H    LYS  30           H        LYS  30  -3.372  10.261   8.552
  211    HA   LYS  30           HA       LYS  30  -2.301   9.289  10.912
  212   1HB   LYS  30          2HB       LYS  30  -2.622  11.510  11.768
  213   2HB   LYS  30          1HB       LYS  30  -2.142  11.620  10.087
  214   1HG   LYS  30          1HG       LYS  30  -4.760  11.639   9.626
  215   2HG   LYS  30          2HG       LYS  30  -4.869  12.111  11.310
  216   1HD   LYS  30          1HD       LYS  30  -2.792  13.714  10.175
  217   2HD   LYS  30          2HD       LYS  30  -4.099  13.720   9.007
  218   1HE   LYS  30          1HE       LYS  30  -5.557  14.095  11.282
  219   2HE   LYS  30          2HE       LYS  30  -4.044  14.807  11.805
  220   1HZ   LYS  30          1HZ       LYS  30  -5.227  15.524   9.228
  221   2HZ   LYS  30          2HZ       LYS  30  -5.683  16.275  10.605
  222   3HZ   LYS  30          3HZ       LYS  30  -4.129  16.355  10.107
  223    H    ASP  31           H        ASP  31  -5.552   9.172   9.693
  224    HA   ASP  31           HA       ASP  31  -6.685   8.976  12.319
  225   1HB   ASP  31          2HB       ASP  31  -8.785   8.977  11.233
  226   2HB   ASP  31          1HB       ASP  31  -7.798   9.987  10.195
  227    H    VAL  32           H        VAL  32  -4.778   6.996  10.492
  228    HA   VAL  32           HA       VAL  32  -6.288   4.574  11.200
  229    HB   VAL  32           HB       VAL  32  -4.270   5.042   8.995
  230   1HG1  VAL  32          1HG1      VAL  32  -5.572   2.559  10.071
  231   2HG1  VAL  32          2HG1      VAL  32  -5.223   2.679   8.330
  232   3HG1  VAL  32          3HG1      VAL  32  -3.902   2.821   9.515
  233   1HG2  VAL  32          1HG2      VAL  32  -7.205   5.210   9.126
  234   2HG2  VAL  32          2HG2      VAL  32  -6.068   5.865   7.924
  235   3HG2  VAL  32          3HG2      VAL  32  -6.597   4.168   7.817
  236    H    LYS  33           H        LYS  33  -5.377   3.208  12.671
  237    HA   LYS  33           HA       LYS  33  -3.268   4.007  14.233
  238   1HB   LYS  33          1HB       LYS  33  -4.331   1.213  13.725
  239   2HB   LYS  33          2HB       LYS  33  -3.259   1.651  15.040
  240   1HG   LYS  33          1HG       LYS  33  -4.993   2.438  16.272
  241   2HG   LYS  33          2HG       LYS  33  -5.479   3.521  14.983
  242   1HD   LYS  33          1HD       LYS  33  -6.876   1.848  13.955
  243   2HD   LYS  33          2HD       LYS  33  -6.157   0.555  14.894
  244   1HE   LYS  33          2HE       LYS  33  -8.297   1.019  15.907
  245   2HE   LYS  33          1HE       LYS  33  -7.087   1.666  16.997
  246   1HZ   LYS  33          1HZ       LYS  33  -7.434   3.815  15.762
  247   2HZ   LYS  33          2HZ       LYS  33  -8.778   3.143  15.123
  248   3HZ   LYS  33          3HZ       LYS  33  -8.651   3.335  16.739
  249    H    CYS  34           H        CYS  34  -1.080   3.040  14.495
  250    HA   CYS  34           HA       CYS  34   0.248   3.083  11.991
  251   1HB   CYS  34          2HB       CYS  34   1.462   2.280  14.632
  252   2HB   CYS  34          1HB       CYS  34   2.265   2.956  13.229
  253    H    ASP  35           H        ASP  35  -0.596   0.618  14.497
  254    HA   ASP  35           HA       ASP  35   0.792  -1.468  13.309
  255   1HB   ASP  35          1HB       ASP  35  -0.776  -2.919  14.671
  256   2HB   ASP  35          2HB       ASP  35   0.033  -1.669  15.595
  257    H    ASP  36           H        ASP  36  -1.927   0.320  12.263
  258    HA   ASP  36           HA       ASP  36  -3.562  -1.668  11.244
  259   1HB   ASP  36          1HB       ASP  36  -3.870   0.949  11.490
  260   2HB   ASP  36          2HB       ASP  36  -3.167   1.018   9.887
  261    H    CYS  37           H        CYS  37  -0.413  -0.495  10.333
  262    HA   CYS  37           HA       CYS  37  -0.626  -1.956   7.809
  263   1HB   CYS  37          1HB       CYS  37   0.733   0.727   8.215
  264   2HB   CYS  37          2HB       CYS  37   0.956  -0.283   6.801
  265    H    HIS  38           H        HIS  38   1.512  -0.459  10.335
  266    HA   HIS  38           HA       HIS  38   3.668  -2.208   9.684
  267   1HB   HIS  38          1HB       HIS  38   3.255  -0.333  12.030
  268   2HB   HIS  38          2HB       HIS  38   4.753  -1.160  11.649
  269    HD1  HIS  38           HD1      HIS  38   5.756  -0.542   9.131
  270    HD2  HIS  38           HD2      HIS  38   3.010   2.125  10.846
  271    HE1  HIS  38           HE1      HIS  38   6.029   1.666   7.882
  272    H    HIS  39           H        HIS  39   2.620  -4.306   9.852
  273    HA   HIS  39           HA       HIS  39   1.784  -5.030  12.539
  274   1HB   HIS  39          1HB       HIS  39   0.677  -6.851  11.592
  275   2HB   HIS  39          2HB       HIS  39   0.430  -5.551  10.442
  276    HD1  HIS  39           HD1      HIS  39   1.492  -9.009  10.624
  277    HD2  HIS  39           HD2      HIS  39   2.405  -5.730   8.173
  278    HE1  HIS  39           HE1      HIS  39   2.545  -9.970   8.508
  279    H    GLN  40           H        GLN  40   4.492  -4.404  12.415
  280    HA   GLN  40           HA       GLN  40   5.752  -7.025  12.272
  281   1HB   GLN  40          1HB       GLN  40   6.781  -4.204  11.935
  282   2HB   GLN  40          2HB       GLN  40   7.893  -5.460  12.442
  283   1HG   GLN  40          1HG       GLN  40   7.588  -4.998   9.873
  284   2HG   GLN  40          2HG       GLN  40   7.688  -6.657  10.427
  285   2HE2  GLN  40          2HE2      GLN  40   5.878  -7.960  10.483
  286   1HE2  GLN  40          1HE2      GLN  40   4.405  -7.583   9.653
  287    HA   PRO  41           HA       PRO  41   6.179  -7.425  16.601
  288   1HB   PRO  41          1HB       PRO  41   8.858  -8.282  16.701
  289   2HB   PRO  41          2HB       PRO  41   7.445  -9.314  16.309
  290   1HG   PRO  41          1HG       PRO  41   9.380  -8.114  14.303
  291   2HG   PRO  41          2HG       PRO  41   8.583  -9.712  14.474
  292   1HD   PRO  41          1HD       PRO  41   7.624  -7.706  12.828
  293   2HD   PRO  41          2HD       PRO  41   6.538  -8.856  13.664
  294    H    GLY  42           H        GLY  42   7.104  -6.310  18.472
  295   1HA   GLY  42          2HA       GLY  42   8.191  -4.654  19.547
  296   2HA   GLY  42          1HA       GLY  42   7.716  -3.672  18.176
  297    H    ASP  43           H        ASP  43   9.925  -2.694  19.090
  298    HA   ASP  43           HA       ASP  43  12.087  -2.411  18.921
  299   1HB   ASP  43          1HB       ASP  43  11.960  -5.194  18.770
  300   2HB   ASP  43          2HB       ASP  43  12.784  -4.785  17.279
  301    H    LYS  44           H        LYS  44  10.922  -4.307  16.024
  302    HA   LYS  44           HA       LYS  44  11.891  -2.099  14.344
  303   1HB   LYS  44          1HB       LYS  44  12.875  -4.610  14.292
  304   2HB   LYS  44          2HB       LYS  44  11.539  -4.814  13.177
  305   1HG   LYS  44          2HG       LYS  44  13.317  -4.111  11.776
  306   2HG   LYS  44          1HG       LYS  44  12.389  -2.644  12.017
  307   1HD   LYS  44          1HD       LYS  44  14.529  -3.173  14.045
  308   2HD   LYS  44          2HD       LYS  44  15.091  -2.812  12.424
  309   1HE   LYS  44          1HE       LYS  44  13.193  -0.858  12.688
  310   2HE   LYS  44          2HE       LYS  44  13.642  -1.052  14.371
  311   1HZ   LYS  44          1HZ       LYS  44  15.547  -0.585  12.182
  312   2HZ   LYS  44          2HZ       LYS  44  15.017   0.556  13.223
  313   3HZ   LYS  44          3HZ       LYS  44  15.920  -0.690  13.768
  314    H    GLN  45           H        GLN  45   9.300  -2.323  15.779
  315    HA   GLN  45           HA       GLN  45   7.235  -3.296  14.450
  316   1HB   GLN  45          1HB       GLN  45   7.374  -1.699  16.529
  317   2HB   GLN  45          2HB       GLN  45   7.138  -0.408  15.368
  318   1HG   GLN  45          2HG       GLN  45   4.909  -0.809  15.433
  319   2HG   GLN  45          1HG       GLN  45   5.199  -2.368  14.687
  320   2HE2  GLN  45          2HE2      GLN  45   3.218  -2.792  15.989
  321   1HE2  GLN  45          1HE2      GLN  45   3.406  -3.386  17.605
  322    H    TYR  46           H        TYR  46   9.166  -0.476  13.541
  323    HA   TYR  46           HA       TYR  46   7.570  -0.191  11.044
  324   1HB   TYR  46          1HB       TYR  46   9.592   1.761  12.164
  325   2HB   TYR  46          2HB       TYR  46   8.342   2.054  10.942
  326    HD1  TYR  46           HD1      TYR  46   5.916   2.055  11.637
  327    HD2  TYR  46           HD2      TYR  46   9.138   2.016  14.477
  328    HE1  TYR  46           HE1      TYR  46   4.361   2.822  13.411
  329    HE2  TYR  46           HE2      TYR  46   7.584   2.783  16.251
  330    HH   TYR  46           HH       TYR  46   5.102   2.775  16.736
  331    H    ALA  47           H        ALA  47   8.599  -1.966   9.881
  332    HA   ALA  47           HA       ALA  47  11.365  -1.294   9.154
  333   1HB   ALA  47          1HB       ALA  47  10.675  -3.457  10.696
  334   2HB   ALA  47          3HB       ALA  47  10.594  -4.154   9.061
  335   3HB   ALA  47          2HB       ALA  47  12.099  -3.392   9.630
  336    H    GLY  48           H        GLY  48  11.942  -2.484   6.992
  337   1HA   GLY  48          2HA       GLY  48  11.552  -2.671   4.788
  338   2HA   GLY  48          1HA       GLY  48  10.223  -1.549   5.000
  339    H    CYS  49           H        CYS  49   8.711  -2.560   3.638
  340    HA   CYS  49           HA       CYS  49   7.412  -4.825   4.796
  341   1HB   CYS  49          1HB       CYS  49   6.773  -3.513   2.154
  342   2HB   CYS  49          2HB       CYS  49   5.719  -4.496   3.153
  343    H    THR  50           H        THR  50   9.696  -4.075   2.178
  344    HA   THR  50           HA       THR  50   9.415  -6.748   1.047
  345    HB   THR  50           HB       THR  50  10.830  -5.815  -0.737
  346    HG1  THR  50           HG1      THR  50  10.878  -3.378   0.855
  347   1HG2  THR  50          1HG2      THR  50   8.447  -4.344   0.221
  348   2HG2  THR  50          2HG2      THR  50   9.577  -3.304  -0.679
  349   3HG2  THR  50          3HG2      THR  50   8.912  -4.767  -1.444
  350    H    THR  51           H        THR  51  10.501  -6.102   3.850
  351    HA   THR  51           HA       THR  51  13.283  -6.624   3.746
  352    HB   THR  51           HB       THR  51  11.283  -7.084   6.018
  353    HG1  THR  51           HG1      THR  51  12.841  -4.755   5.143
  354   1HG2  THR  51          1HG2      THR  51  13.720  -7.805   6.369
  355   2HG2  THR  51          2HG2      THR  51  14.185  -6.115   6.060
  356   3HG2  THR  51          3HG2      THR  51  13.166  -6.515   7.463
  357    H    ASP  52           H        ASP  52  14.416  -8.550   4.466
  358    HA   ASP  52           HA       ASP  52  13.684 -10.743   3.036
  359   1HB   ASP  52          1HB       ASP  52  15.814  -9.979   4.695
  360   2HB   ASP  52          2HB       ASP  52  15.175 -11.393   5.508
  361    H    GLY  53           H        GLY  53  12.901 -12.914   3.785
  362   1HA   GLY  53          2HA       GLY  53  11.993 -13.480   6.355
  363   2HA   GLY  53          1HA       GLY  53  11.470 -14.259   4.874
  364    H    CYS  54           H        CYS  54  10.679 -11.348   3.906
  365    HA   CYS  54           HA       CYS  54   8.075 -11.435   5.232
  366   1HB   CYS  54          1HB       CYS  54   9.459  -8.841   4.500
  367   2HB   CYS  54          2HB       CYS  54   7.961  -9.044   5.385
  368    H    HIS  55           H        HIS  55   7.818  -8.821   3.351
  369    HA   HIS  55           HA       HIS  55   6.894 -10.383   1.098
  370   1HB   HIS  55          1HB       HIS  55   6.577  -7.408   1.518
  371   2HB   HIS  55          2HB       HIS  55   5.634  -8.460   0.481
  372    HD1  HIS  55           HD1      HIS  55   4.052 -10.262   1.777
  373    HD2  HIS  55           HD2      HIS  55   5.597  -7.116   4.082
  374    HE1  HIS  55           HE1      HIS  55   2.642 -10.173   3.902
  375    H    ASN  56           H        ASN  56   9.625 -10.552   1.205
  376    HA   ASN  56           HA       ASN  56  10.714  -8.428  -0.376
  377   1HB   ASN  56          1HB       ASN  56  12.081  -9.518   1.406
  378   2HB   ASN  56          2HB       ASN  56  11.915 -11.070   0.609
  379   2HD2  ASN  56          2HD2      ASN  56  14.327  -9.689   1.257
  380   1HD2  ASN  56          1HD2      ASN  56  15.192  -9.372  -0.209
  381    H    ILE  57           H        ILE  57   8.945  -9.085  -2.110
  382    HA   ILE  57           HA       ILE  57  10.196 -11.024  -3.909
  383    HB   ILE  57           HB       ILE  57   7.229 -10.867  -3.374
  384   1HG1  ILE  57          1HG1      ILE  57   8.762 -11.833  -1.516
  385   2HG1  ILE  57          2HG1      ILE  57   7.346 -12.735  -2.019
  386   1HG2  ILE  57          1HG2      ILE  57   8.939 -12.435  -5.279
  387   2HG2  ILE  57          2HG2      ILE  57   7.417 -13.125  -4.666
  388   3HG2  ILE  57          3HG2      ILE  57   7.400 -11.586  -5.561
  389   1HD1  ILE  57          1HD1      ILE  57   9.900 -13.274  -3.510
  390   2HD1  ILE  57          2HD1      ILE  57   9.774 -13.884  -1.842
  391   3HD1  ILE  57          3HD1      ILE  57   8.587 -14.391  -3.068
  392    H    LEU  58           H        LEU  58  10.911  -9.800  -5.573
  393    HA   LEU  58           HA       LEU  58   9.279  -7.498  -6.337
  394   1HB   LEU  58          1HB       LEU  58  12.119  -8.213  -7.078
  395   2HB   LEU  58          2HB       LEU  58  11.272  -6.745  -7.526
  396    HG   LEU  58           HG       LEU  58  12.073  -7.592  -4.730
  397   1HD1  LEU  58          1HD1      LEU  58  13.243  -5.798  -6.780
  398   2HD1  LEU  58          2HD1      LEU  58  13.234  -5.193  -5.107
  399   3HD1  LEU  58          3HD1      LEU  58  14.023  -6.742  -5.488
  400   1HD2  LEU  58          1HD2      LEU  58   9.994  -5.770  -5.602
  401   2HD2  LEU  58          2HD2      LEU  58  10.410  -6.333  -3.966
  402   3HD2  LEU  58          3HD2      LEU  58  11.247  -4.924  -4.662
  403    H    ASP  59           H        ASP  59   7.623  -8.955  -7.273
  404    HA   ASP  59           HA       ASP  59   8.183  -9.306 -10.025
  405   1HB   ASP  59          1HB       ASP  59   8.866 -11.493  -8.569
  406   2HB   ASP  59          2HB       ASP  59   7.151 -11.817  -8.725
  407    H    LYS  60           H        LYS  60   6.253  -8.646 -10.989
  408    HA   LYS  60           HA       LYS  60   3.870  -8.606  -9.347
  409   1HB   LYS  60          1HB       LYS  60   4.035  -7.588 -12.171
  410   2HB   LYS  60          2HB       LYS  60   3.034  -7.028 -10.847
  411   1HG   LYS  60          1HG       LYS  60   4.599  -5.434 -10.450
  412   2HG   LYS  60          2HG       LYS  60   5.653  -6.708  -9.869
  413   1HD   LYS  60          2HD       LYS  60   6.938  -5.629 -11.554
  414   2HD   LYS  60          1HD       LYS  60   6.336  -7.072 -12.344
  415   1HE   LYS  60          1HE       LYS  60   4.337  -5.032 -12.688
  416   2HE   LYS  60          2HE       LYS  60   5.885  -4.301 -13.064
  417   1HZ   LYS  60          1HZ       LYS  60   5.407  -6.937 -14.140
  418   2HZ   LYS  60          2HZ       LYS  60   4.544  -5.715 -14.795
  419   3HZ   LYS  60          3HZ       LYS  60   6.176  -5.662 -14.811
  420    H    ALA  61           H        ALA  61   4.602 -11.223  -9.751
  421    HA   ALA  61           HA       ALA  61   2.316 -12.327 -10.834
  422   1HB   ALA  61          1HB       ALA  61   3.816 -13.448 -12.821
  423   2HB   ALA  61          3HB       ALA  61   4.486 -11.800 -12.794
  424   3HB   ALA  61          2HB       ALA  61   2.743 -12.047 -13.054
  425    H    ASP  62           H        ASP  62   3.336 -12.807  -8.472
  426    HA   ASP  62           HA       ASP  62   4.922 -15.231  -8.811
  427   1HB   ASP  62          1HB       ASP  62   5.904 -13.252  -7.475
  428   2HB   ASP  62          2HB       ASP  62   4.658 -13.552  -6.279
  429    H    LYS  63           H        LYS  63   4.506 -16.666  -6.590
  430    HA   LYS  63           HA       LYS  63   1.643 -16.576  -5.986
  431   1HB   LYS  63          1HB       LYS  63   2.575 -18.339  -7.809
  432   2HB   LYS  63          2HB       LYS  63   2.865 -19.262  -6.348
  433   1HG   LYS  63          1HG       LYS  63   0.638 -19.625  -5.996
  434   2HG   LYS  63          2HG       LYS  63   0.225 -17.951  -6.310
  435   1HD   LYS  63          1HD       LYS  63  -0.023 -18.295  -8.629
  436   2HD   LYS  63          2HD       LYS  63   1.030 -19.696  -8.643
  437   1HE   LYS  63          1HE       LYS  63  -0.723 -20.968  -7.322
  438   2HE   LYS  63          2HE       LYS  63  -1.782 -19.578  -7.452
  439   1HZ   LYS  63          1HZ       LYS  63  -0.928 -20.056  -9.990
  440   2HZ   LYS  63          2HZ       LYS  63  -1.208 -21.546  -9.381
  441   3HZ   LYS  63          3HZ       LYS  63  -2.396 -20.426  -9.376
  442    H    SER  64           H        SER  64   2.249 -15.564  -3.984
  443    HA   SER  64           HA       SER  64   2.664 -17.398  -1.953
  444   1HB   SER  64          1HB       SER  64   5.094 -16.667  -3.148
  445   2HB   SER  64          2HB       SER  64   5.003 -15.617  -1.748
  446    HG   SER  64           HG       SER  64   5.866 -18.054  -1.683
  447    H    VAL  65           H        VAL  65   2.719 -16.266   0.230
  448    HA   VAL  65           HA       VAL  65   1.160 -13.856   0.046
  449    HB   VAL  65           HB       VAL  65   0.479 -15.550   1.582
  450   1HG1  VAL  65          1HG1      VAL  65   3.334 -15.432   2.542
  451   2HG1  VAL  65          2HG1      VAL  65   2.036 -16.012   3.613
  452   3HG1  VAL  65          3HG1      VAL  65   2.357 -16.844   2.073
  453   1HG2  VAL  65          1HG2      VAL  65   0.795 -12.907   2.260
  454   2HG2  VAL  65          2HG2      VAL  65  -0.122 -14.108   3.202
  455   3HG2  VAL  65          3HG2      VAL  65   1.565 -13.737   3.634
  456    H    ASN  66           H        ASN  66   4.359 -14.383  -0.367
  457    HA   ASN  66           HA       ASN  66   5.212 -12.245   1.381
  458   1HB   ASN  66          2HB       ASN  66   6.858 -13.954  -0.558
  459   2HB   ASN  66          1HB       ASN  66   7.505 -12.892   0.676
  460   2HD2  ASN  66          2HD2      ASN  66   6.541 -13.301   2.929
  461   1HD2  ASN  66          1HD2      ASN  66   6.487 -14.949   3.459
  462    H    SER  67           H        SER  67   3.531 -12.252  -1.338
  463    HA   SER  67           HA       SER  67   5.250 -10.863  -3.118
  464   1HB   SER  67          1HB       SER  67   2.934 -10.432  -4.285
  465   2HB   SER  67          2HB       SER  67   3.592 -12.056  -4.254
  466    HG   SER  67           HG       SER  67   1.347 -12.029  -3.628
  467    H    TRP  68           H        TRP  68   5.460  -8.631  -3.403
  468    HA   TRP  68           HA       TRP  68   4.136  -6.997  -1.382
  469   1HB   TRP  68          1HB       TRP  68   6.415  -6.621  -1.315
  470   2HB   TRP  68          2HB       TRP  68   6.603  -6.723  -3.054
  471    HD1  TRP  68           HD1      TRP  68   6.863  -4.402  -4.228
  472    HE1  TRP  68           HE1      TRP  68   6.377  -1.860  -3.712
  473    HE3  TRP  68           HE3      TRP  68   4.516  -5.210   0.210
  474    HZ2  TRP  68           HZ2      TRP  68   5.094  -0.503  -1.554
  475    HZ3  TRP  68           HZ3      TRP  68   3.677  -3.222   1.458
  476    HH2  TRP  68           HH2      TRP  68   3.934  -0.932   0.644
  477    H    TYR  69           H        TYR  69   3.089  -8.245  -4.019
  478    HA   TYR  69           HA       TYR  69   2.014  -5.708  -5.159
  479   1HB   TYR  69          1HB       TYR  69   3.459  -6.653  -6.799
  480   2HB   TYR  69          2HB       TYR  69   2.853  -8.290  -6.497
  481    HD1  TYR  69           HD1      TYR  69   0.530  -8.906  -7.219
  482    HD2  TYR  69           HD2      TYR  69   2.375  -5.190  -8.333
  483    HE1  TYR  69           HE1      TYR  69  -1.134  -8.625  -9.036
  484    HE2  TYR  69           HE2      TYR  69   0.711  -4.909 -10.151
  485    HH   TYR  69           HH       TYR  69  -2.118  -6.868 -10.456
  486    H    LYS  70           H        LYS  70   1.293  -8.390  -3.252
  487    HA   LYS  70           HA       LYS  70  -1.418  -8.552  -4.361
  488   1HB   LYS  70          1HB       LYS  70   0.024 -10.649  -4.168
  489   2HB   LYS  70          2HB       LYS  70  -0.130 -10.492  -2.430
  490   1HG   LYS  70          1HG       LYS  70  -2.753 -10.232  -3.100
  491   2HG   LYS  70          2HG       LYS  70  -2.223 -11.189  -4.470
  492   1HD   LYS  70          1HD       LYS  70  -1.420 -12.031  -1.671
  493   2HD   LYS  70          2HD       LYS  70  -3.038 -12.386  -2.243
  494   1HE   LYS  70          1HE       LYS  70  -0.400 -13.307  -3.463
  495   2HE   LYS  70          2HE       LYS  70  -1.659 -14.309  -2.767
  496   1HZ   LYS  70          1HZ       LYS  70  -3.068 -13.158  -4.602
  497   2HZ   LYS  70          2HZ       LYS  70  -1.620 -12.955  -5.329
  498   3HZ   LYS  70          3HZ       LYS  70  -2.143 -14.456  -4.956
  499    H    VAL  71           H        VAL  71   0.568  -7.959  -1.431
  500    HA   VAL  71           HA       VAL  71  -1.662  -7.621   0.279
  501    HB   VAL  71           HB       VAL  71   0.007  -6.682   1.816
  502   1HG1  VAL  71          1HG1      VAL  71  -0.274  -9.106   1.686
  503   2HG1  VAL  71          2HG1      VAL  71   0.918  -9.192   0.367
  504   3HG1  VAL  71          3HG1      VAL  71   1.429  -8.692   1.997
  505   1HG2  VAL  71          1HG2      VAL  71   1.360  -5.917  -0.493
  506   2HG2  VAL  71          2HG2      VAL  71   1.969  -5.815   1.176
  507   3HG2  VAL  71          3HG2      VAL  71   2.356  -7.233   0.171
  508    H    VAL  72           H        VAL  72  -0.665  -5.867  -2.399
  509    HA   VAL  72           HA       VAL  72  -1.529  -3.324  -1.223
  510    HB   VAL  72           HB       VAL  72   0.019  -3.983  -3.735
  511   1HG1  VAL  72          1HG1      VAL  72  -1.665  -1.916  -3.640
  512   2HG1  VAL  72          2HG1      VAL  72  -0.299  -1.171  -2.775
  513   3HG1  VAL  72          3HG1      VAL  72  -0.071  -1.802  -4.424
  514   1HG2  VAL  72          1HG2      VAL  72   1.289  -4.200  -1.626
  515   2HG2  VAL  72          2HG2      VAL  72   1.880  -2.856  -2.633
  516   3HG2  VAL  72          3HG2      VAL  72   0.864  -2.522  -1.210
  517    H    HIS  73           H        HIS  73  -1.993  -5.566  -4.026
  518    HA   HIS  73           HA       HIS  73  -4.506  -4.172  -4.554
  519   1HB   HIS  73          1HB       HIS  73  -3.041  -6.136  -6.333
  520   2HB   HIS  73          2HB       HIS  73  -4.422  -5.146  -6.764
  521    HD1  HIS  73           HD1      HIS  73  -0.705  -4.915  -6.077
  522    HD2  HIS  73           HD2      HIS  73  -3.836  -2.496  -7.473
  523    HE1  HIS  73           HE1      HIS  73   0.384  -2.807  -7.016
  524    H    ASP  74           H        ASP  74  -4.121  -5.969  -2.258
  525    HA   ASP  74           HA       ASP  74  -5.300  -8.442  -3.033
  526   1HB   ASP  74          1HB       ASP  74  -4.007  -7.296  -0.690
  527   2HB   ASP  74          2HB       ASP  74  -5.523  -8.030  -0.205
  528    H    ALA  75           H        ALA  75  -7.459  -8.176  -3.746
  529    HA   ALA  75           HA       ALA  75  -9.185  -6.263  -2.514
  530   1HB   ALA  75          1HB       ALA  75 -10.367  -8.400  -4.183
  531   2HB   ALA  75          3HB       ALA  75  -9.038  -7.509  -4.963
  532   3HB   ALA  75          2HB       ALA  75 -10.462  -6.631  -4.354
  533    H    LYS  76           H        LYS  76  -8.376  -9.688  -2.107
  534    HA   LYS  76           HA       LYS  76 -10.740 -10.317  -0.649
  535   1HB   LYS  76          1HB       LYS  76  -9.214 -11.894  -1.985
  536   2HB   LYS  76          2HB       LYS  76  -8.133 -11.843  -0.608
  537   1HG   LYS  76          1HG       LYS  76 -10.315 -12.407   0.792
  538   2HG   LYS  76          2HG       LYS  76 -10.957 -12.933  -0.751
  539   1HD   LYS  76          1HD       LYS  76  -9.201 -14.580  -1.031
  540   2HD   LYS  76          2HD       LYS  76  -8.267 -13.912   0.293
  541   1HE   LYS  76          1HE       LYS  76 -10.518 -14.451   1.679
  542   2HE   LYS  76          2HE       LYS  76 -10.753 -15.616   0.391
  543   1HZ   LYS  76          1HZ       LYS  76  -8.103 -15.588   1.453
  544   2HZ   LYS  76          2HZ       LYS  76  -9.239 -16.021   2.543
  545   3HZ   LYS  76          3HZ       LYS  76  -9.089 -16.853   1.146
  546    H    GLY  77           H        GLY  77 -10.920 -10.705   1.641
  547   1HA   GLY  77          2HA       GLY  77 -10.704 -10.008   3.772
  548   2HA   GLY  77          1HA       GLY  77  -9.668  -8.709   3.214
  549    H    GLY  78           H        GLY  78  -9.421 -10.524   5.610
  550   1HA   GLY  78          2HA       GLY  78  -6.659 -11.386   5.085
  551   2HA   GLY  78          1HA       GLY  78  -7.799 -12.529   5.766
  552    H    ALA  79           H        ALA  79  -5.604 -12.005   7.290
  553    HA   ALA  79           HA       ALA  79  -6.581 -11.299   9.722
  554   1HB   ALA  79          1HB       ALA  79  -4.093 -10.813  10.230
  555   2HB   ALA  79          3HB       ALA  79  -4.503 -12.427   9.601
  556   3HB   ALA  79          2HB       ALA  79  -3.802 -11.202   8.517
  557    H    LYS  80           H        LYS  80  -5.681  -9.213   7.031
  558    HA   LYS  80           HA       LYS  80  -6.733  -6.959   8.444
  559   1HB   LYS  80          1HB       LYS  80  -4.474  -5.694   7.782
  560   2HB   LYS  80          2HB       LYS  80  -4.733  -6.414   9.358
  561   1HG   LYS  80          1HG       LYS  80  -3.609  -8.518   8.566
  562   2HG   LYS  80          2HG       LYS  80  -3.325  -7.769   7.008
  563   1HD   LYS  80          2HD       LYS  80  -2.212  -6.839   9.695
  564   2HD   LYS  80          1HD       LYS  80  -1.303  -7.576   8.391
  565   1HE   LYS  80          1HE       LYS  80  -1.950  -5.621   6.905
  566   2HE   LYS  80          2HE       LYS  80  -2.720  -4.871   8.289
  567   1HZ   LYS  80          1HZ       LYS  80   0.036  -5.749   8.552
  568   2HZ   LYS  80          2HZ       LYS  80  -0.267  -4.376   7.721
  569   3HZ   LYS  80          3HZ       LYS  80  -0.728  -4.504   9.283
  570    HA   PRO  81           HA       PRO  81  -7.749  -5.831   4.342
  571   1HB   PRO  81          1HB       PRO  81  -8.006  -3.112   4.573
  572   2HB   PRO  81          2HB       PRO  81  -9.104  -4.260   5.407
  573   1HG   PRO  81          2HG       PRO  81  -6.855  -2.843   6.295
  574   2HG   PRO  81          1HG       PRO  81  -8.325  -3.008   7.310
  575   1HD   PRO  81          1HD       PRO  81  -6.055  -4.477   7.774
  576   2HD   PRO  81          2HD       PRO  81  -7.682  -5.184   8.009
  577    H    THR  82           H        THR  82  -7.077  -3.916   2.603
  578    HA   THR  82           HA       THR  82  -4.163  -3.585   2.797
  579    HB   THR  82           HB       THR  82  -4.097  -4.241   0.342
  580    HG1  THR  82           HG1      THR  82  -6.777  -5.201   1.033
  581   1HG2  THR  82          1HG2      THR  82  -4.459  -6.003   2.596
  582   2HG2  THR  82          2HG2      THR  82  -5.406  -6.663   1.240
  583   3HG2  THR  82          3HG2      THR  82  -3.661  -6.368   1.047
  584    H    CYS  83           H        CYS  83  -3.842  -2.322   0.284
  585    HA   CYS  83           HA       CYS  83  -4.808   0.256   1.025
  586   1HB   CYS  83          1HB       CYS  83  -3.408  -0.379  -1.558
  587   2HB   CYS  83          2HB       CYS  83  -3.404   1.114  -0.641
  588    H    ILE  84           H        ILE  84  -6.237  -2.385  -0.428
  589    HA   ILE  84           HA       ILE  84  -7.839  -0.697  -2.222
  590    HB   ILE  84           HB       ILE  84  -6.906  -3.533  -2.394
  591   1HG1  ILE  84          1HG1      ILE  84  -5.653  -1.779  -3.556
  592   2HG1  ILE  84          2HG1      ILE  84  -6.383  -2.906  -4.682
  593   1HG2  ILE  84          1HG2      ILE  84  -9.483  -2.439  -3.523
  594   2HG2  ILE  84          2HG2      ILE  84  -8.618  -3.806  -4.267
  595   3HG2  ILE  84          3HG2      ILE  84  -9.213  -3.933  -2.594
  596   1HD1  ILE  84          1HD1      ILE  84  -8.391  -1.018  -4.437
  597   2HD1  ILE  84          2HD1      ILE  84  -6.925  -0.019  -4.283
  598   3HD1  ILE  84          3HD1      ILE  84  -7.164  -1.032  -5.727
  599    H    SER  85           H        SER  85  -7.865  -3.334   0.241
  600    HA   SER  85           HA       SER  85 -10.553  -3.716   0.364
  601   1HB   SER  85          2HB       SER  85  -8.974  -3.658   2.930
  602   2HB   SER  85          1HB       SER  85 -10.145  -4.839   2.380
  603    HG   SER  85           HG       SER  85  -8.622  -5.918   1.271
  604    H    CYS  86           H        CYS  86  -8.573  -1.520   2.499
  605    HA   CYS  86           HA       CYS  86 -10.771  -0.346   3.724
  606   1HB   CYS  86          1HB       CYS  86  -8.348  -0.298   4.489
  607   2HB   CYS  86          2HB       CYS  86  -8.071   0.967   3.308
  608    H    HIS  87           H        HIS  87  -8.589   0.907   1.084
  609    HA   HIS  87           HA       HIS  87  -9.884   3.203   0.512
  610   1HB   HIS  87          1HB       HIS  87  -8.329   1.247  -1.143
  611   2HB   HIS  87          2HB       HIS  87  -9.123   2.586  -1.948
  612    HD1  HIS  87           HD1      HIS  87  -7.015   3.902  -2.546
  613    HD2  HIS  87           HD2      HIS  87  -7.321   3.037   1.547
  614    HE1  HIS  87           HE1      HIS  87  -5.186   5.255  -1.391
  615    H    LYS  88           H        LYS  88 -10.808  -0.136  -0.411
  616    HA   LYS  88           HA       LYS  88 -12.795   0.556  -2.241
  617   1HB   LYS  88          1HB       LYS  88 -12.059  -1.853  -0.645
  618   2HB   LYS  88          2HB       LYS  88 -13.679  -1.803  -1.310
  619   1HG   LYS  88          1HG       LYS  88 -11.198  -1.236  -2.990
  620   2HG   LYS  88          2HG       LYS  88 -11.867  -2.845  -2.812
  621   1HD   LYS  88          1HD       LYS  88 -14.084  -1.182  -3.456
  622   2HD   LYS  88          2HD       LYS  88 -12.787  -0.647  -4.506
  623   1HE   LYS  88          1HE       LYS  88 -12.565  -2.764  -5.544
  624   2HE   LYS  88          2HE       LYS  88 -13.292  -3.617  -4.197
  625   1HZ   LYS  88          1HZ       LYS  88 -15.045  -1.711  -5.366
  626   2HZ   LYS  88          2HZ       LYS  88 -14.571  -2.855  -6.431
  627   3HZ   LYS  88          3HZ       LYS  88 -15.299  -3.290  -5.035
  628    H    ASP  89           H        ASP  89 -12.903  -0.005   1.332
  629    HA   ASP  89           HA       ASP  89 -15.601   0.246   1.628
  630   1HB   ASP  89          1HB       ASP  89 -13.578  -0.220   3.321
  631   2HB   ASP  89          2HB       ASP  89 -13.727   1.495   3.646
  632    H    LYS  90           H        LYS  90 -12.978   2.713   1.419
  633    HA   LYS  90           HA       LYS  90 -14.537   4.927   2.142
  634   1HB   LYS  90          1HB       LYS  90 -11.870   4.413   0.979
  635   2HB   LYS  90          2HB       LYS  90 -12.575   5.954   0.532
  636   1HG   LYS  90          1HG       LYS  90 -12.189   4.905   3.374
  637   2HG   LYS  90          2HG       LYS  90 -11.275   6.192   2.614
  638   1HD   LYS  90          1HD       LYS  90 -13.797   7.173   2.249
  639   2HD   LYS  90          2HD       LYS  90 -14.070   6.230   3.701
  640   1HE   LYS  90          1HE       LYS  90 -12.176   7.406   4.830
  641   2HE   LYS  90          2HE       LYS  90 -11.879   8.337   3.376
  642   1HZ   LYS  90          1HZ       LYS  90 -14.492   8.730   3.811
  643   2HZ   LYS  90          2HZ       LYS  90 -13.913   8.670   5.337
  644   3HZ   LYS  90          3HZ       LYS  90 -13.306   9.752   4.276
  645    H    ALA  91           H        ALA  91 -13.824   3.345  -1.020
  646    HA   ALA  91           HA       ALA  91 -15.581   5.254  -2.336
  647   1HB   ALA  91          1HB       ALA  91 -14.327   2.963  -3.788
  648   2HB   ALA  91          3HB       ALA  91 -14.484   4.671  -4.264
  649   3HB   ALA  91          2HB       ALA  91 -13.226   4.183  -3.104
  650    H    GLY  92           H        GLY  92 -16.450   3.141  -0.283
  651   1HA   GLY  92          2HA       GLY  92 -17.899   1.370  -0.135
  652   2HA   GLY  92          1HA       GLY  92 -17.972   1.255  -1.882
  653    H    ASP  93           H        ASP  93 -18.950   3.441  -2.942
  654    HA   ASP  93           HA       ASP  93 -21.559   3.464  -2.513
  655   1HB   ASP  93          1HB       ASP  93 -21.833   5.718  -1.212
  656   2HB   ASP  93          2HB       ASP  93 -21.570   4.248  -0.294
  657    H    ASP  94           H        ASP  94 -18.936   6.003  -2.468
  658    HA   ASP  94           HA       ASP  94 -20.240   7.488  -4.500
  659   1HB   ASP  94          1HB       ASP  94 -18.889   8.636  -2.812
  660   2HB   ASP  94          2HB       ASP  94 -17.482   7.671  -3.210
  661    H    LYS  95           H        LYS  95 -19.983   7.137  -6.716
  662    HA   LYS  95           HA       LYS  95 -18.268   5.056  -7.606
  663   1HB   LYS  95          1HB       LYS  95 -20.107   7.019  -8.983
  664   2HB   LYS  95          2HB       LYS  95 -19.101   5.906  -9.888
  665   1HG   LYS  95          1HG       LYS  95 -20.104   3.986  -8.605
  666   2HG   LYS  95          2HG       LYS  95 -21.139   5.115  -7.753
  667   1HD   LYS  95          1HD       LYS  95 -22.553   4.417  -9.489
  668   2HD   LYS  95          2HD       LYS  95 -21.884   5.889 -10.164
  669   1HE   LYS  95          1HE       LYS  95 -20.158   3.571 -10.723
  670   2HE   LYS  95          2HE       LYS  95 -21.786   3.315 -11.320
  671   1HZ   LYS  95          1HZ       LYS  95 -21.531   5.652 -12.250
  672   2HZ   LYS  95          2HZ       LYS  95 -19.927   5.455 -12.014
  673   3HZ   LYS  95          3HZ       LYS  95 -20.736   4.442 -13.006
  674    H    GLU  96           H        GLU  96 -18.165   8.637  -7.543
  675    HA   GLU  96           HA       GLU  96 -15.966   8.845  -9.249
  676   1HB   GLU  96          1HB       GLU  96 -17.525  10.716  -8.706
  677   2HB   GLU  96          2HB       GLU  96 -16.918  10.747  -7.062
  678   1HG   GLU  96          1HG       GLU  96 -15.656  12.444  -8.120
  679   2HG   GLU  96          2HG       GLU  96 -14.558  11.078  -8.131
  680    H    LEU  97           H        LEU  97 -16.336   7.979  -5.860
  681    HA   LEU  97           HA       LEU  97 -13.627   8.606  -5.165
  682   1HB   LEU  97          1HB       LEU  97 -15.772   8.528  -3.694
  683   2HB   LEU  97          2HB       LEU  97 -15.451   6.807  -3.605
  684    HG   LEU  97           HG       LEU  97 -14.472   7.675  -1.677
  685   1HD1  LEU  97          1HD1      LEU  97 -12.976   6.176  -3.019
  686   2HD1  LEU  97          2HD1      LEU  97 -12.141   7.634  -3.607
  687   3HD1  LEU  97          3HD1      LEU  97 -12.133   7.242  -1.871
  688   1HD2  LEU  97          1HD2      LEU  97 -14.659  10.056  -2.326
  689   2HD2  LEU  97          2HD2      LEU  97 -13.114   9.668  -1.532
  690   3HD2  LEU  97          3HD2      LEU  97 -13.177   9.884  -3.298
  691    H    LYS  98           H        LYS  98 -15.326   6.022  -6.767
  692    HA   LYS  98           HA       LYS  98 -13.296   4.068  -6.117
  693   1HB   LYS  98          1HB       LYS  98 -15.771   3.559  -6.320
  694   2HB   LYS  98          2HB       LYS  98 -15.615   3.814  -8.047
  695   1HG   LYS  98          1HG       LYS  98 -14.752   1.736  -8.328
  696   2HG   LYS  98          2HG       LYS  98 -13.466   2.073  -7.185
  697   1HD   LYS  98          2HD       LYS  98 -14.628   0.223  -6.234
  698   2HD   LYS  98          1HD       LYS  98 -15.188   1.605  -5.313
  699   1HE   LYS  98          2HE       LYS  98 -17.185   0.424  -5.845
  700   2HE   LYS  98          1HE       LYS  98 -17.157   1.744  -6.997
  701   1HZ   LYS  98          1HZ       LYS  98 -15.749  -0.495  -7.975
  702   2HZ   LYS  98          2HZ       LYS  98 -17.281  -0.901  -7.584
  703   3HZ   LYS  98          3HZ       LYS  98 -17.003   0.308  -8.646
  704    H    LYS  99           H        LYS  99 -12.702   6.685  -7.568
  705    HA   LYS  99           HA       LYS  99 -11.221   5.417  -9.725
  706   1HB   LYS  99          1HB       LYS  99 -13.410   7.396 -10.087
  707   2HB   LYS  99          2HB       LYS  99 -11.951   7.676 -11.015
  708   1HG   LYS  99          1HG       LYS  99 -12.063   5.249 -11.790
  709   2HG   LYS  99          2HG       LYS  99 -13.615   5.116 -10.986
  710   1HD   LYS  99          1HD       LYS  99 -14.298   7.220 -12.395
  711   2HD   LYS  99          2HD       LYS  99 -12.883   6.863 -13.364
  712   1HE   LYS  99          1HE       LYS  99 -14.833   5.782 -14.380
  713   2HE   LYS  99          2HE       LYS  99 -13.755   4.543 -13.769
  714   1HZ   LYS  99          1HZ       LYS  99 -15.840   5.534 -12.009
  715   2HZ   LYS  99          2HZ       LYS  99 -16.264   4.511 -13.210
  716   3HZ   LYS  99          3HZ       LYS  99 -15.172   4.046 -12.088
  717    H    LYS 100           H        LYS 100 -10.192   6.038  -7.254
  718    HA   LYS 100           HA       LYS 100  -8.192   7.898  -7.960
  719   1HB   LYS 100          1HB       LYS 100  -8.820   9.373  -5.841
  720   2HB   LYS 100          2HB       LYS 100  -9.403   9.751  -7.449
  721   1HG   LYS 100          1HG       LYS 100 -11.470   8.298  -6.898
  722   2HG   LYS 100          2HG       LYS 100 -10.908   8.288  -5.239
  723   1HD   LYS 100          1HD       LYS 100 -11.309  10.885  -6.779
  724   2HD   LYS 100          2HD       LYS 100 -12.618  10.123  -5.899
  725   1HE   LYS 100          1HE       LYS 100 -11.260  10.211  -3.797
  726   2HE   LYS 100          2HE       LYS 100  -9.947  10.968  -4.676
  727   1HZ   LYS 100          1HZ       LYS 100 -12.625  12.142  -4.681
  728   2HZ   LYS 100          2HZ       LYS 100 -11.570  12.452  -3.474
  729   3HZ   LYS 100          3HZ       LYS 100 -11.198  12.867  -5.009
  730    H    LEU 101           H        LEU 101  -9.986   6.228  -5.307
  731    HA   LEU 101           HA       LEU 101  -7.470   5.784  -3.928
  732   1HB   LEU 101          1HB       LEU 101 -10.311   5.069  -3.189
  733   2HB   LEU 101          2HB       LEU 101  -8.903   4.825  -2.175
  734    HG   LEU 101           HG       LEU 101 -10.292   7.378  -2.918
  735   1HD1  LEU 101          1HD1      LEU 101 -10.737   6.022  -0.802
  736   2HD1  LEU 101          2HD1      LEU 101  -9.128   6.553  -0.259
  737   3HD1  LEU 101          3HD1      LEU 101 -10.393   7.757  -0.603
  738   1HD2  LEU 101          1HD2      LEU 101  -7.366   7.078  -2.273
  739   2HD2  LEU 101          2HD2      LEU 101  -8.153   8.060  -3.531
  740   3HD2  LEU 101          3HD2      LEU 101  -8.266   8.546  -1.823
  741    H    THR 102           H        THR 102  -9.879   4.124  -5.951
  742    HA   THR 102           HA       THR 102  -8.173   1.726  -5.810
  743    HB   THR 102           HB       THR 102 -10.184   0.376  -5.886
  744    HG1  THR 102           HG1      THR 102 -11.559   1.487  -7.280
  745   1HG2  THR 102          1HG2      THR 102  -9.782   1.592  -3.635
  746   2HG2  THR 102          2HG2      THR 102 -11.014   2.761  -4.166
  747   3HG2  THR 102          3HG2      THR 102 -11.451   1.051  -3.935
  748    H    GLY 103           H        GLY 103  -8.925   4.355  -7.641
  749   1HA   GLY 103          2HA       GLY 103  -8.692   4.823  -9.826
  750   2HA   GLY 103          1HA       GLY 103  -9.656   3.392 -10.137
  751    H    CYS 104           H        CYS 104  -8.707   1.799 -11.330
  752    HA   CYS 104           HA       CYS 104  -6.144   0.855 -10.854
  753   1HB   CYS 104          1HB       CYS 104  -8.225   0.463 -12.924
  754   2HB   CYS 104          2HB       CYS 104  -6.589   0.057 -13.402
  755    H    LYS 105           H        LYS 105  -7.490   3.144 -13.324
  756    HA   LYS 105           HA       LYS 105  -4.735   4.049 -13.785
  757   1HB   LYS 105          1HB       LYS 105  -5.303   2.835 -15.738
  758   2HB   LYS 105          2HB       LYS 105  -6.924   3.495 -15.790
  759   1HG   LYS 105          1HG       LYS 105  -5.599   5.831 -15.935
  760   2HG   LYS 105          2HG       LYS 105  -4.314   4.807 -16.544
  761   1HD   LYS 105          1HD       LYS 105  -7.074   4.429 -17.700
  762   2HD   LYS 105          2HD       LYS 105  -6.182   5.861 -18.174
  763   1HE   LYS 105          1HE       LYS 105  -4.278   4.465 -18.935
  764   2HE   LYS 105          2HE       LYS 105  -5.089   3.014 -18.380
  765   1HZ   LYS 105          1HZ       LYS 105  -6.875   3.520 -19.936
  766   2HZ   LYS 105          2HZ       LYS 105  -6.056   4.822 -20.485
  767   3HZ   LYS 105          3HZ       LYS 105  -5.447   3.322 -20.701
  768    H    GLY 106           H        GLY 106  -4.392   6.223 -13.564
  769   1HA   GLY 106          2HA       GLY 106  -6.515   8.125 -13.870
  770   2HA   GLY 106          1HA       GLY 106  -4.863   8.431 -13.372
  771    H    SER 107           H        SER 107  -4.607   6.757 -11.102
  772    HA   SER 107           HA       SER 107  -6.685   7.858  -9.375
  773   1HB   SER 107          1HB       SER 107  -6.056   5.951  -7.810
  774   2HB   SER 107          2HB       SER 107  -6.842   5.467  -9.299
  775    HG   SER 107           HG       SER 107  -4.922   4.179  -8.730
  776    H    ALA 108           H        ALA 108  -5.690   7.875  -6.918
  777    HA   ALA 108           HA       ALA 108  -3.586   9.784  -7.046
  778   1HB   ALA 108          1HB       ALA 108  -4.244  10.265  -4.918
  779   2HB   ALA 108          3HB       ALA 108  -5.660   9.275  -5.346
  780   3HB   ALA 108          2HB       ALA 108  -4.309   8.552  -4.440
  781    H    CYS 109           H        CYS 109  -3.618   6.424  -7.313
  782    HA   CYS 109           HA       CYS 109  -1.064   6.157  -5.923
  783   1HB   CYS 109          1HB       CYS 109  -3.034   4.070  -6.905
  784   2HB   CYS 109          2HB       CYS 109  -1.449   3.685  -6.266
  785    H    HIS 110           H        HIS 110  -2.802   5.571  -9.049
  786    HA   HIS 110           HA       HIS 110  -0.169   5.500 -10.335
  787   1HB   HIS 110          1HB       HIS 110  -2.732   4.121 -11.185
  788   2HB   HIS 110          2HB       HIS 110  -1.240   4.132 -12.104
  789    HD1  HIS 110           HD1      HIS 110   0.906   3.374 -10.177
  790    HD2  HIS 110           HD2      HIS 110  -2.930   1.688  -9.987
  791    HE1  HIS 110           HE1      HIS 110   1.157   1.164  -8.925
  792    HA   PRO 111           HA       PRO 111  -2.215   9.212 -11.965
  793   1HB   PRO 111          1HB       PRO 111  -0.282  11.010 -11.355
  794   2HB   PRO 111          2HB       PRO 111  -1.369  10.353 -10.089
  795   1HG   PRO 111          1HG       PRO 111   1.153   9.590 -11.113
  796   2HG   PRO 111          2HG       PRO 111   1.189   9.601  -9.320
  797   1HD   PRO 111          1HD       PRO 111   1.050   7.257 -10.610
  798   2HD   PRO 111          2HD       PRO 111  -0.060   7.535  -9.234
  799    H    SER 112           H        SER 112  -1.654   7.673 -13.955
  800    HA   SER 112           HA       SER 112  -0.177   9.225 -15.717
  801   1HB   SER 112          1HB       SER 112   1.453   7.486 -14.176
  802   2HB   SER 112          2HB       SER 112   1.305   6.709 -15.739
  803    HG   SER 112           HG       SER 112   2.623   8.169 -16.569

  No H/Q in entry =         803
  Start of MODEL    2
    1    H1   VAL   1           H1       VAL   1   8.206   8.345  17.453
    2    H2   VAL   1           H2       VAL   1   9.389   7.454  18.194
    3    H3   VAL   1           H3       VAL   1   9.450   9.109  18.234
    4    HA   VAL   1           HA       VAL   1  11.000   8.532  16.703
    5    HB   VAL   1           HB       VAL   1  10.547   6.250  16.415
    6   1HG1  VAL   1          1HG1      VAL   1   7.797   7.169  15.894
    7   2HG1  VAL   1          2HG1      VAL   1   8.336   5.842  14.837
    8   3HG1  VAL   1          3HG1      VAL   1   8.387   5.647  16.605
    9   1HG2  VAL   1          1HG2      VAL   1  11.420   7.576  14.392
   10   2HG2  VAL   1          2HG2      VAL   1  10.807   5.931  14.097
   11   3HG2  VAL   1          3HG2      VAL   1   9.798   7.342  13.698
   12    H    ASP   2           H        ASP   2   7.799   9.695  16.724
   13    HA   ASP   2           HA       ASP   2   6.769  11.271  15.652
   14   1HB   ASP   2          1HB       ASP   2   9.612  11.920  15.279
   15   2HB   ASP   2          2HB       ASP   2   8.649  12.523  13.945
   16    H    VAL   3           H        VAL   3   5.378  10.833  13.933
   17    HA   VAL   3           HA       VAL   3   5.943   8.983  11.967
   18    HB   VAL   3           HB       VAL   3   3.744  10.144  12.876
   19   1HG1  VAL   3          1HG1      VAL   3   4.295  11.649  10.295
   20   2HG1  VAL   3          2HG1      VAL   3   2.746  11.631  11.172
   21   3HG1  VAL   3          3HG1      VAL   3   4.189  12.349  11.929
   22   1HG2  VAL   3          1HG2      VAL   3   3.874   8.098  11.500
   23   2HG2  VAL   3          2HG2      VAL   3   2.516   9.144  11.017
   24   3HG2  VAL   3          3HG2      VAL   3   4.000   9.101  10.035
   25    HA   PRO   4           HA       PRO   4   8.997  10.899   9.440
   26   1HB   PRO   4          2HB       PRO   4   7.494   9.232   7.392
   27   2HB   PRO   4          1HB       PRO   4   9.253   9.387   7.706
   28   1HG   PRO   4          1HG       PRO   4   8.064   7.188   8.808
   29   2HG   PRO   4          2HG       PRO   4   9.346   8.176   9.580
   30   1HD   PRO   4          2HD       PRO   4   6.340   8.114  10.067
   31   2HD   PRO   4          1HD       PRO   4   7.672   8.316  11.245
   32    H    ALA   5           H        ALA   5   9.011  12.308   7.412
   33    HA   ALA   5           HA       ALA   5   6.732  14.019   7.478
   34   1HB   ALA   5          1HB       ALA   5   8.120  15.499   6.424
   35   2HB   ALA   5          3HB       ALA   5   8.768  14.267   5.315
   36   3HB   ALA   5          2HB       ALA   5   9.376  14.370   6.985
   37    H    ASP   6           H        ASP   6   5.282  14.491   5.715
   38    HA   ASP   6           HA       ASP   6   4.453  12.178   4.393
   39   1HB   ASP   6          1HB       ASP   6   2.652  13.486   3.635
   40   2HB   ASP   6          2HB       ASP   6   3.128  14.328   5.096
   41    H    GLY   7           H        GLY   7   3.853  12.681   1.785
   42   1HA   GLY   7          2HA       GLY   7   5.815  14.099   0.305
   43   2HA   GLY   7          1HA       GLY   7   4.630  12.964  -0.311
   44    H    ALA   8           H        ALA   8   5.282  10.590   1.074
   45    HA   ALA   8           HA       ALA   8   8.115  10.161   0.513
   46   1HB   ALA   8          1HB       ALA   8   5.986   8.634   2.046
   47   2HB   ALA   8          3HB       ALA   8   7.461   9.404   2.678
   48   3HB   ALA   8          2HB       ALA   8   7.581   7.939   1.674
   49    H    LYS   9           H        LYS   9   8.665   9.449  -1.480
   50    HA   LYS   9           HA       LYS   9   6.628   8.343  -3.179
   51   1HB   LYS   9          1HB       LYS   9   7.959   8.999  -4.863
   52   2HB   LYS   9          2HB       LYS   9   8.799   9.918  -3.631
   53   1HG   LYS   9          1HG       LYS   9  10.091   7.569  -3.287
   54   2HG   LYS   9          2HG       LYS   9   9.600   7.332  -4.953
   55   1HD   LYS   9          1HD       LYS   9  10.546   9.952  -4.998
   56   2HD   LYS   9          2HD       LYS   9  11.613   9.201  -3.828
   57   1HE   LYS   9          2HE       LYS   9  11.122   8.313  -6.704
   58   2HE   LYS   9          1HE       LYS   9  12.615   8.932  -6.029
   59   1HZ   LYS   9          1HZ       LYS   9  11.351   6.485  -5.027
   60   2HZ   LYS   9          2HZ       LYS   9  12.441   6.473  -6.243
   61   3HZ   LYS   9          3HZ       LYS   9  12.876   7.003  -4.761
   62    H    ILE  10           H        ILE  10   6.443   6.216  -3.899
   63    HA   ILE  10           HA       ILE  10   8.226   4.320  -2.533
   64    HB   ILE  10           HB       ILE  10   5.305   3.937  -3.194
   65   1HG1  ILE  10          1HG1      ILE  10   6.410   4.245  -0.410
   66   2HG1  ILE  10          2HG1      ILE  10   5.976   5.658  -1.352
   67   1HG2  ILE  10          1HG2      ILE  10   7.454   2.167  -2.178
   68   2HG2  ILE  10          2HG2      ILE  10   5.883   2.060  -1.349
   69   3HG2  ILE  10          3HG2      ILE  10   5.984   1.786  -3.105
   70   1HD1  ILE  10          1HD1      ILE  10   4.025   3.350  -1.116
   71   2HD1  ILE  10          2HD1      ILE  10   4.158   4.556   0.186
   72   3HD1  ILE  10          3HD1      ILE  10   3.691   5.066  -1.454
   73    H    ASP  11           H        ASP  11   9.338   2.930  -3.822
   74    HA   ASP  11           HA       ASP  11   8.268   2.151  -6.320
   75   1HB   ASP  11          1HB       ASP  11   9.127   4.183  -7.205
   76   2HB   ASP  11          2HB       ASP  11  10.531   4.158  -6.157
   77    H    PHE  12           H        PHE  12   8.673  -0.010  -5.606
   78    HA   PHE  12           HA       PHE  12  11.485  -0.623  -5.022
   79   1HB   PHE  12          1HB       PHE  12   8.835  -1.962  -4.207
   80   2HB   PHE  12          2HB       PHE  12  10.412  -2.593  -3.778
   81    HD1  PHE  12           HD1      PHE  12  11.876  -0.197  -2.961
   82    HD2  PHE  12           HD2      PHE  12   7.840  -1.286  -2.229
   83    HE1  PHE  12           HE1      PHE  12  11.873   1.210  -0.882
   84    HE2  PHE  12           HE2      PHE  12   7.838   0.120  -0.150
   85    HZ   PHE  12           HZ       PHE  12   9.855   1.352   0.499
   86    H    ILE  13           H        ILE  13   8.606  -1.305  -6.966
   87    HA   ILE  13           HA       ILE  13   9.892  -3.645  -8.128
   88    HB   ILE  13           HB       ILE  13   7.131  -2.461  -8.398
   89   1HG1  ILE  13          1HG1      ILE  13   8.008  -5.102  -7.200
   90   2HG1  ILE  13          2HG1      ILE  13   7.748  -3.647  -6.259
   91   1HG2  ILE  13          1HG2      ILE  13   8.542  -4.129 -10.244
   92   2HG2  ILE  13          2HG2      ILE  13   7.242  -5.080  -9.486
   93   3HG2  ILE  13          3HG2      ILE  13   6.861  -3.549 -10.309
   94   1HD1  ILE  13          1HD1      ILE  13   5.396  -3.566  -7.416
   95   2HD1  ILE  13          2HD1      ILE  13   5.719  -5.268  -7.824
   96   3HD1  ILE  13          3HD1      ILE  13   5.665  -4.756  -6.120
   97    H    ALA  14           H        ALA  14  11.545  -2.982  -9.457
   98    HA   ALA  14           HA       ALA  14  11.350  -0.630 -11.024
   99   1HB   ALA  14          1HB       ALA  14  13.518  -1.327 -10.365
  100   2HB   ALA  14          2HB       ALA  14  13.436  -1.702 -12.103
  101   3HB   ALA  14          3HB       ALA  14  13.237  -3.000 -10.902
  102    H    GLY  15           H        GLY  15  11.884  -0.923 -13.547
  103   1HA   GLY  15          2HA       GLY  15   9.775  -1.426 -14.995
  104   2HA   GLY  15          1HA       GLY  15  10.257  -3.082 -14.685
  105    H    GLY  16           H        GLY  16  11.478   0.079 -15.950
  106   1HA   GLY  16          2HA       GLY  16  12.744  -1.250 -18.165
  107   2HA   GLY  16          1HA       GLY  16  13.889  -0.627 -16.994
  108    H    GLU  17           H        GLU  17  12.174   0.120 -19.793
  109    HA   GLU  17           HA       GLU  17  13.147   2.561 -20.154
  110   1HB   GLU  17          1HB       GLU  17  11.922   1.328 -21.884
  111   2HB   GLU  17          2HB       GLU  17  10.412   1.526 -21.017
  112   1HG   GLU  17          1HG       GLU  17  10.987   4.124 -21.196
  113   2HG   GLU  17          2HG       GLU  17  12.024   3.607 -22.510
  114    H    LYS  18           H        LYS  18  10.436   1.670 -18.048
  115    HA   LYS  18           HA       LYS  18  10.444   4.380 -17.014
  116   1HB   LYS  18          2HB       LYS  18   8.097   4.728 -17.217
  117   2HB   LYS  18          1HB       LYS  18   8.703   4.321 -18.810
  118   1HG   LYS  18          1HG       LYS  18   7.753   2.155 -18.774
  119   2HG   LYS  18          2HG       LYS  18   7.679   2.102 -17.024
  120   1HD   LYS  18          1HD       LYS  18   5.644   3.157 -16.948
  121   2HD   LYS  18          2HD       LYS  18   6.087   4.317 -18.185
  122   1HE   LYS  18          1HE       LYS  18   5.946   1.929 -19.629
  123   2HE   LYS  18          2HE       LYS  18   4.662   1.732 -18.453
  124   1HZ   LYS  18          1HZ       LYS  18   4.878   4.273 -19.843
  125   2HZ   LYS  18          2HZ       LYS  18   4.254   2.997 -20.650
  126   3HZ   LYS  18          3HZ       LYS  18   3.549   3.516 -19.271
  127    H    ASN  19           H        ASN  19   8.044   3.851 -15.379
  128    HA   ASN  19           HA       ASN  19   8.078   1.487 -14.074
  129   1HB   ASN  19          1HB       ASN  19   9.382   2.457 -11.912
  130   2HB   ASN  19          2HB       ASN  19  10.221   1.548 -13.154
  131   2HD2  ASN  19          2HD2      ASN  19   9.036   4.877 -12.666
  132   1HD2  ASN  19          1HD2      ASN  19  10.481   5.697 -13.156
  133    H    LEU  20           H        LEU  20   6.261   1.599 -12.700
  134    HA   LEU  20           HA       LEU  20   4.984   4.135 -12.421
  135   1HB   LEU  20          1HB       LEU  20   4.319   1.326 -11.563
  136   2HB   LEU  20          2HB       LEU  20   3.324   2.697 -11.115
  137    HG   LEU  20           HG       LEU  20   3.851   1.596 -13.876
  138   1HD1  LEU  20          1HD1      LEU  20   1.508   1.761 -12.026
  139   2HD1  LEU  20          2HD1      LEU  20   1.222   1.822 -13.782
  140   3HD1  LEU  20          3HD1      LEU  20   2.061   0.426 -13.065
  141   1HD2  LEU  20          1HD2      LEU  20   3.117   4.358 -13.091
  142   2HD2  LEU  20          2HD2      LEU  20   3.910   3.746 -14.562
  143   3HD2  LEU  20          3HD2      LEU  20   2.143   3.620 -14.385
  144    H    THR  21           H        THR  21   4.886   5.484 -10.661
  145    HA   THR  21           HA       THR  21   6.218   4.523  -8.218
  146    HB   THR  21           HB       THR  21   6.441   7.371  -9.275
  147    HG1  THR  21           HG1      THR  21   8.281   6.579 -10.436
  148   1HG2  THR  21          1HG2      THR  21   7.773   5.645  -7.203
  149   2HG2  THR  21          2HG2      THR  21   8.835   6.718  -8.146
  150   3HG2  THR  21          3HG2      THR  21   7.494   7.403  -7.197
  151    H    VAL  22           H        VAL  22   4.912   4.523  -6.509
  152    HA   VAL  22           HA       VAL  22   2.506   6.167  -6.684
  153    HB   VAL  22           HB       VAL  22   3.292   3.843  -4.917
  154   1HG1  VAL  22          1HG1      VAL  22   1.819   5.493  -3.757
  155   2HG1  VAL  22          2HG1      VAL  22   0.613   5.266  -5.046
  156   3HG1  VAL  22          3HG1      VAL  22   1.059   3.901  -3.995
  157   1HG2  VAL  22          1HG2      VAL  22   2.421   3.837  -7.545
  158   2HG2  VAL  22          2HG2      VAL  22   2.302   2.480  -6.399
  159   3HG2  VAL  22          3HG2      VAL  22   0.921   3.581  -6.622
  160    H    VAL  23           H        VAL  23   1.870   7.552  -4.916
  161    HA   VAL  23           HA       VAL  23   4.177   8.377  -3.294
  162    HB   VAL  23           HB       VAL  23   1.908   9.939  -4.525
  163   1HG1  VAL  23          1HG1      VAL  23   3.775  10.685  -2.278
  164   2HG1  VAL  23          2HG1      VAL  23   3.142  11.924  -3.389
  165   3HG1  VAL  23          3HG1      VAL  23   2.019  10.940  -2.419
  166   1HG2  VAL  23          1HG2      VAL  23   4.866   9.735  -4.959
  167   2HG2  VAL  23          2HG2      VAL  23   3.542   9.859  -6.142
  168   3HG2  VAL  23          3HG2      VAL  23   4.066  11.300  -5.237
  169    H    PHE  24           H        PHE  24   3.863   8.741  -1.068
  170    HA   PHE  24           HA       PHE  24   1.201   8.012  -0.078
  171   1HB   PHE  24          1HB       PHE  24   3.010   6.174   0.054
  172   2HB   PHE  24          2HB       PHE  24   3.963   7.255   1.050
  173    HD1  PHE  24           HD1      PHE  24   0.359   6.248   1.045
  174    HD2  PHE  24           HD2      PHE  24   3.975   6.573   3.243
  175    HE1  PHE  24           HE1      PHE  24  -0.809   5.391   3.094
  176    HE2  PHE  24           HE2      PHE  24   2.806   5.715   5.292
  177    HZ   PHE  24           HZ       PHE  24   0.428   5.134   5.193
  178    H    ASN  25           H        ASN  25   1.091   8.572   2.416
  179    HA   ASN  25           HA       ASN  25   2.774  10.702   3.214
  180   1HB   ASN  25          1HB       ASN  25   0.303  11.998   3.517
  181   2HB   ASN  25          2HB       ASN  25   1.525  12.409   2.331
  182   2HD2  ASN  25          2HD2      ASN  25   1.237  11.966   0.220
  183   1HD2  ASN  25          1HD2      ASN  25  -0.194  11.273  -0.467
  184    H    HIS  26           H        HIS  26   2.913  10.384   5.443
  185    HA   HIS  26           HA       HIS  26   1.060   8.637   6.706
  186   1HB   HIS  26          1HB       HIS  26   3.576  10.060   7.459
  187   2HB   HIS  26          2HB       HIS  26   2.526   9.526   8.756
  188    HD1  HIS  26           HD1      HIS  26   4.544   8.153   5.840
  189    HD2  HIS  26           HD2      HIS  26   2.582   6.796   9.291
  190    HE1  HIS  26           HE1      HIS  26   5.203   5.704   6.121
  191    H    SER  27           H        SER  27   1.027  11.954   5.928
  192    HA   SER  27           HA       SER  27  -0.464  12.667   8.291
  193   1HB   SER  27          1HB       SER  27  -0.421  14.961   7.334
  194   2HB   SER  27          2HB       SER  27   1.188  14.279   7.462
  195    HG   SER  27           HG       SER  27   1.155  13.798   5.202
  196    H    THR  28           H        THR  28  -1.371  10.709   6.077
  197    HA   THR  28           HA       THR  28  -3.868  12.123   5.400
  198    HB   THR  28           HB       THR  28  -2.156  10.143   3.821
  199    HG1  THR  28           HG1      THR  28  -1.636  12.164   3.077
  200   1HG2  THR  28          1HG2      THR  28  -4.804   9.809   3.750
  201   2HG2  THR  28          2HG2      THR  28  -4.763  11.325   2.819
  202   3HG2  THR  28          3HG2      THR  28  -3.885   9.894   2.228
  203    H    HIS  29           H        HIS  29  -2.282   9.106   6.489
  204    HA   HIS  29           HA       HIS  29  -4.940   8.039   7.049
  205   1HB   HIS  29          2HB       HIS  29  -2.263   6.621   7.090
  206   2HB   HIS  29          1HB       HIS  29  -3.840   5.878   7.271
  207    HD1  HIS  29           HD1      HIS  29  -1.585   7.460   4.680
  208    HD2  HIS  29           HD2      HIS  29  -5.255   5.439   4.882
  209    HE1  HIS  29           HE1      HIS  29  -2.220   6.890   2.276
  210    H    LYS  30           H        LYS  30  -3.513  10.257   8.547
  211    HA   LYS  30           HA       LYS  30  -2.435   9.308  10.915
  212   1HB   LYS  30          1HB       LYS  30  -2.913  11.545  11.788
  213   2HB   LYS  30          2HB       LYS  30  -2.223  11.615  10.179
  214   1HG   LYS  30          1HG       LYS  30  -4.537  11.859   9.219
  215   2HG   LYS  30          2HG       LYS  30  -5.198  11.840  10.842
  216   1HD   LYS  30          1HD       LYS  30  -5.016  14.155  10.306
  217   2HD   LYS  30          2HD       LYS  30  -3.648  13.844  11.356
  218   1HE   LYS  30          1HE       LYS  30  -2.858  13.276   8.623
  219   2HE   LYS  30          2HE       LYS  30  -3.617  14.855   8.666
  220   1HZ   LYS  30          1HZ       LYS  30  -1.536  14.055  10.572
  221   2HZ   LYS  30          2HZ       LYS  30  -1.205  14.810   9.162
  222   3HZ   LYS  30          3HZ       LYS  30  -2.107  15.560  10.298
  223    H    ASP  31           H        ASP  31  -5.677   9.137   9.683
  224    HA   ASP  31           HA       ASP  31  -6.830   8.955  12.298
  225   1HB   ASP  31          1HB       ASP  31  -8.305   9.923  10.726
  226   2HB   ASP  31          2HB       ASP  31  -7.832   8.819   9.450
  227    H    VAL  32           H        VAL  32  -4.931   6.972  10.389
  228    HA   VAL  32           HA       VAL  32  -6.367   4.537  11.191
  229    HB   VAL  32           HB       VAL  32  -4.307   4.917   9.009
  230   1HG1  VAL  32          1HG1      VAL  32  -4.896   2.603  10.293
  231   2HG1  VAL  32          2HG1      VAL  32  -6.139   2.582   9.018
  232   3HG1  VAL  32          3HG1      VAL  32  -4.417   2.693   8.581
  233   1HG2  VAL  32          1HG2      VAL  32  -6.769   5.962   8.861
  234   2HG2  VAL  32          2HG2      VAL  32  -5.952   5.231   7.458
  235   3HG2  VAL  32          3HG2      VAL  32  -7.155   4.293   8.376
  236    H    LYS  33           H        LYS  33  -5.433   3.232  12.698
  237    HA   LYS  33           HA       LYS  33  -3.325   4.089  14.225
  238   1HB   LYS  33          1HB       LYS  33  -4.398   1.289  13.781
  239   2HB   LYS  33          2HB       LYS  33  -3.265   1.717  15.046
  240   1HG   LYS  33          1HG       LYS  33  -5.898   3.209  14.718
  241   2HG   LYS  33          2HG       LYS  33  -5.808   1.715  15.631
  242   1HD   LYS  33          2HD       LYS  33  -5.025   2.845  17.431
  243   2HD   LYS  33          1HD       LYS  33  -3.624   3.361  16.513
  244   1HE   LYS  33          1HE       LYS  33  -4.973   5.279  15.582
  245   2HE   LYS  33          2HE       LYS  33  -6.332   4.779  16.568
  246   1HZ   LYS  33          1HZ       LYS  33  -4.438   4.906  18.390
  247   2HZ   LYS  33          2HZ       LYS  33  -3.882   6.051  17.366
  248   3HZ   LYS  33          3HZ       LYS  33  -5.380   6.182  18.002
  249    H    CYS  34           H        CYS  34  -1.130   3.100  14.507
  250    HA   CYS  34           HA       CYS  34   0.200   3.152  12.005
  251   1HB   CYS  34          2HB       CYS  34   1.400   2.339  14.651
  252   2HB   CYS  34          1HB       CYS  34   2.218   3.000  13.249
  253    H    ASP  35           H        ASP  35  -0.647   0.673  14.497
  254    HA   ASP  35           HA       ASP  35   0.736  -1.408  13.296
  255   1HB   ASP  35          1HB       ASP  35  -0.833  -2.864  14.651
  256   2HB   ASP  35          2HB       ASP  35  -0.020  -1.622  15.582
  257    H    ASP  36           H        ASP  36  -1.969   0.394  12.252
  258    HA   ASP  36           HA       ASP  36  -3.621  -1.577  11.232
  259   1HB   ASP  36          1HB       ASP  36  -3.871   1.061  11.465
  260   2HB   ASP  36          2HB       ASP  36  -3.210   1.085   9.842
  261    H    CYS  37           H        CYS  37  -0.459  -0.435  10.321
  262    HA   CYS  37           HA       CYS  37  -0.685  -1.898   7.799
  263   1HB   CYS  37          1HB       CYS  37   0.693   0.774   8.212
  264   2HB   CYS  37          2HB       CYS  37   0.934  -0.243   6.805
  265    H    HIS  38           H        HIS  38   1.460  -0.436  10.339
  266    HA   HIS  38           HA       HIS  38   3.603  -2.198   9.689
  267   1HB   HIS  38          1HB       HIS  38   3.185  -0.343  12.050
  268   2HB   HIS  38          2HB       HIS  38   4.678  -1.182  11.677
  269    HD1  HIS  38           HD1      HIS  38   5.764  -0.529   9.225
  270    HD2  HIS  38           HD2      HIS  38   2.928   2.108  10.838
  271    HE1  HIS  38           HE1      HIS  38   6.059   1.682   7.988
  272    H    HIS  39           H        HIS  39   2.834  -4.339   9.873
  273    HA   HIS  39           HA       HIS  39   1.901  -5.075  12.544
  274   1HB   HIS  39          1HB       HIS  39   0.735  -6.849  11.597
  275   2HB   HIS  39          2HB       HIS  39   0.504  -5.544  10.450
  276    HD1  HIS  39           HD1      HIS  39   1.424  -9.027  10.590
  277    HD2  HIS  39           HD2      HIS  39   2.518  -5.765   8.191
  278    HE1  HIS  39           HE1      HIS  39   2.450 -10.010   8.470
  279    H    GLN  40           H        GLN  40   4.601  -4.479  12.400
  280    HA   GLN  40           HA       GLN  40   5.841  -7.101  12.149
  281   1HB   GLN  40          1HB       GLN  40   6.874  -4.277  11.879
  282   2HB   GLN  40          2HB       GLN  40   7.991  -5.541  12.353
  283   1HG   GLN  40          1HG       GLN  40   7.678  -5.030   9.798
  284   2HG   GLN  40          2HG       GLN  40   7.772  -6.701  10.316
  285   2HE2  GLN  40          2HE2      GLN  40   5.945  -7.990  10.370
  286   1HE2  GLN  40          1HE2      GLN  40   4.475  -7.589   9.545
  287    HA   PRO  41           HA       PRO  41   6.227  -7.074  16.560
  288   1HB   PRO  41          1HB       PRO  41   7.388  -9.459  16.903
  289   2HB   PRO  41          2HB       PRO  41   5.787  -9.365  16.099
  290   1HG   PRO  41          1HG       PRO  41   8.530  -9.407  14.748
  291   2HG   PRO  41          2HG       PRO  41   7.187 -10.519  14.325
  292   1HD   PRO  41          1HD       PRO  41   7.683  -8.209  12.923
  293   2HD   PRO  41          2HD       PRO  41   6.013  -8.787  13.208
  294    H    GLY  42           H        GLY  42   7.880  -6.668  18.179
  295   1HA   GLY  42          2HA       GLY  42  10.637  -6.535  17.153
  296   2HA   GLY  42          1HA       GLY  42  10.147  -6.621  18.834
  297    H    ASP  43           H        ASP  43  11.662  -4.708  19.024
  298    HA   ASP  43           HA       ASP  43  10.234  -2.409  19.364
  299   1HB   ASP  43          1HB       ASP  43  12.700  -3.235  20.085
  300   2HB   ASP  43          2HB       ASP  43  13.178  -2.240  18.724
  301    H    LYS  44           H        LYS  44  11.539  -3.859  16.480
  302    HA   LYS  44           HA       LYS  44  11.694  -1.334  15.052
  303   1HB   LYS  44          1HB       LYS  44  12.515  -4.169  14.470
  304   2HB   LYS  44          2HB       LYS  44  12.325  -3.025  13.156
  305   1HG   LYS  44          1HG       LYS  44  13.983  -1.524  14.093
  306   2HG   LYS  44          2HG       LYS  44  14.004  -2.388  15.618
  307   1HD   LYS  44          1HD       LYS  44  14.780  -4.458  14.227
  308   2HD   LYS  44          2HD       LYS  44  15.087  -3.319  12.931
  309   1HE   LYS  44          1HE       LYS  44  16.367  -1.995  14.921
  310   2HE   LYS  44          2HE       LYS  44  16.495  -3.616  15.575
  311   1HZ   LYS  44          1HZ       LYS  44  17.100  -3.635  12.839
  312   2HZ   LYS  44          2HZ       LYS  44  18.021  -2.515  13.590
  313   3HZ   LYS  44          3HZ       LYS  44  18.045  -4.067  14.099
  314    H    GLN  45           H        GLN  45   9.130  -1.975  16.145
  315    HA   GLN  45           HA       GLN  45   7.409  -3.376  14.694
  316   1HB   GLN  45          1HB       GLN  45   6.951  -1.885  16.714
  317   2HB   GLN  45          2HB       GLN  45   6.832  -0.528  15.612
  318   1HG   GLN  45          2HG       GLN  45   4.606  -1.110  15.583
  319   2HG   GLN  45          1HG       GLN  45   5.136  -2.230  14.344
  320   2HE2  GLN  45          2HE2      GLN  45   3.087  -3.233  15.173
  321   1HE2  GLN  45          1HE2      GLN  45   3.214  -4.406  16.441
  322    H    TYR  46           H        TYR  46   9.082  -0.466  13.734
  323    HA   TYR  46           HA       TYR  46   7.524  -0.345  11.202
  324   1HB   TYR  46          1HB       TYR  46   9.484   1.706  12.252
  325   2HB   TYR  46          2HB       TYR  46   8.236   1.912  11.012
  326    HD1  TYR  46           HD1      TYR  46   5.854   2.085  11.642
  327    HD2  TYR  46           HD2      TYR  46   8.958   1.844  14.600
  328    HE1  TYR  46           HE1      TYR  46   4.268   2.888  13.371
  329    HE2  TYR  46           HE2      TYR  46   7.373   2.647  16.330
  330    HH   TYR  46           HH       TYR  46   4.452   4.109  15.696
  331    H    ALA  47           H        ALA  47   8.523  -1.901   9.858
  332    HA   ALA  47           HA       ALA  47  11.346  -1.327   9.314
  333   1HB   ALA  47          1HB       ALA  47  10.530  -3.534  10.739
  334   2HB   ALA  47          3HB       ALA  47  10.524  -4.160   9.072
  335   3HB   ALA  47          2HB       ALA  47  12.009  -3.453   9.752
  336    H    GLY  48           H        GLY  48  11.842  -2.896   7.183
  337   1HA   GLY  48          2HA       GLY  48  11.576  -2.839   4.939
  338   2HA   GLY  48          1HA       GLY  48  10.256  -1.701   5.130
  339    H    CYS  49           H        CYS  49   8.780  -2.672   3.699
  340    HA   CYS  49           HA       CYS  49   7.425  -4.948   4.778
  341   1HB   CYS  49          1HB       CYS  49   6.845  -3.576   2.156
  342   2HB   CYS  49          2HB       CYS  49   5.762  -4.549   3.131
  343    H    THR  50           H        THR  50   9.707  -4.127   2.161
  344    HA   THR  50           HA       THR  50   9.445  -6.774   0.979
  345    HB   THR  50           HB       THR  50  11.074  -5.757  -0.676
  346    HG1  THR  50           HG1      THR  50  11.514  -3.450  -0.215
  347   1HG2  THR  50          1HG2      THR  50   8.643  -4.044   0.060
  348   2HG2  THR  50          2HG2      THR  50   9.597  -3.828  -1.427
  349   3HG2  THR  50          3HG2      THR  50   8.696  -5.339  -1.160
  350    H    THR  51           H        THR  51  10.510  -6.195   3.812
  351    HA   THR  51           HA       THR  51  13.287  -6.746   3.719
  352    HB   THR  51           HB       THR  51  11.290  -7.258   5.979
  353    HG1  THR  51           HG1      THR  51  12.724  -4.887   5.006
  354   1HG2  THR  51          1HG2      THR  51  14.271  -6.829   5.742
  355   2HG2  THR  51          2HG2      THR  51  13.434  -6.091   7.129
  356   3HG2  THR  51          3HG2      THR  51  13.370  -7.853   6.885
  357    H    ASP  52           H        ASP  52  14.387  -8.701   4.433
  358    HA   ASP  52           HA       ASP  52  13.637 -10.859   2.949
  359   1HB   ASP  52          1HB       ASP  52  15.766 -10.147   4.643
  360   2HB   ASP  52          2HB       ASP  52  15.115 -11.587   5.400
  361    H    GLY  53           H        GLY  53  12.853 -13.046   3.678
  362   1HA   GLY  53          2HA       GLY  53  11.934 -13.649   6.228
  363   2HA   GLY  53          1HA       GLY  53  11.391 -14.386   4.733
  364    H    CYS  54           H        CYS  54  10.639 -11.442   3.836
  365    HA   CYS  54           HA       CYS  54   8.047 -11.510   5.191
  366   1HB   CYS  54          2HB       CYS  54   9.465  -8.935   4.456
  367   2HB   CYS  54          1HB       CYS  54   7.971  -9.116   5.352
  368    H    HIS  55           H        HIS  55   7.875  -8.865   3.303
  369    HA   HIS  55           HA       HIS  55   6.873 -10.407   1.060
  370   1HB   HIS  55          2HB       HIS  55   6.588  -7.433   1.517
  371   2HB   HIS  55          1HB       HIS  55   5.628  -8.462   0.472
  372    HD1  HIS  55           HD1      HIS  55   4.053 -10.282   1.763
  373    HD2  HIS  55           HD2      HIS  55   5.613  -7.154   4.081
  374    HE1  HIS  55           HE1      HIS  55   2.654 -10.206   3.895
  375    H    ASN  56           H        ASN  56   9.614 -10.586   1.154
  376    HA   ASN  56           HA       ASN  56  10.710  -8.462  -0.411
  377   1HB   ASN  56          1HB       ASN  56  12.048  -9.665   1.353
  378   2HB   ASN  56          2HB       ASN  56  11.902 -11.154   0.441
  379   2HD2  ASN  56          2HD2      ASN  56  14.291  -9.776   1.215
  380   1HD2  ASN  56          1HD2      ASN  56  15.166  -9.351  -0.218
  381    H    ILE  57           H        ILE  57   8.905  -9.052  -2.135
  382    HA   ILE  57           HA       ILE  57  10.089 -10.993  -3.981
  383    HB   ILE  57           HB       ILE  57   7.134 -10.721  -3.424
  384   1HG1  ILE  57          1HG1      ILE  57   8.681 -11.817  -1.626
  385   2HG1  ILE  57          2HG1      ILE  57   7.181 -12.594  -2.092
  386   1HG2  ILE  57          1HG2      ILE  57   8.738 -12.458  -5.304
  387   2HG2  ILE  57          2HG2      ILE  57   7.073 -12.848  -4.810
  388   3HG2  ILE  57          3HG2      ILE  57   7.411 -11.335  -5.685
  389   1HD1  ILE  57          1HD1      ILE  57   9.836 -13.250  -3.435
  390   2HD1  ILE  57          2HD1      ILE  57   9.243 -14.115  -1.997
  391   3HD1  ILE  57          3HD1      ILE  57   8.316 -14.173  -3.517
  392    H    LEU  58           H        LEU  58  10.862  -9.762  -5.614
  393    HA   LEU  58           HA       LEU  58   9.284  -7.414  -6.368
  394   1HB   LEU  58          1HB       LEU  58  12.162  -8.138  -6.934
  395   2HB   LEU  58          2HB       LEU  58  11.351  -6.699  -7.519
  396    HG   LEU  58           HG       LEU  58  11.967  -7.402  -4.639
  397   1HD1  LEU  58          1HD1      LEU  58  13.277  -5.770  -6.699
  398   2HD1  LEU  58          2HD1      LEU  58  13.032  -4.928  -5.150
  399   3HD1  LEU  58          3HD1      LEU  58  13.923  -6.468  -5.195
  400   1HD2  LEU  58          1HD2      LEU  58   9.950  -5.595  -5.751
  401   2HD2  LEU  58          2HD2      LEU  58  10.156  -6.215  -4.095
  402   3HD2  LEU  58          3HD2      LEU  58  11.081  -4.793  -4.634
  403    H    ASP  59           H        ASP  59   8.682 -10.325  -6.994
  404    HA   ASP  59           HA       ASP  59   8.915 -10.083  -9.891
  405   1HB   ASP  59          1HB       ASP  59   9.590 -12.226  -8.144
  406   2HB   ASP  59          2HB       ASP  59   8.109 -12.731  -8.934
  407    H    LYS  60           H        LYS  60   6.907  -8.696  -9.756
  408    HA   LYS  60           HA       LYS  60   4.569  -9.355  -8.539
  409   1HB   LYS  60          1HB       LYS  60   3.507  -7.855 -10.053
  410   2HB   LYS  60          2HB       LYS  60   5.119  -7.239  -9.754
  411   1HG   LYS  60          1HG       LYS  60   5.325  -9.031 -11.985
  412   2HG   LYS  60          2HG       LYS  60   3.919  -8.026 -12.277
  413   1HD   LYS  60          1HD       LYS  60   5.166  -6.045 -12.351
  414   2HD   LYS  60          2HD       LYS  60   6.419  -6.661 -11.292
  415   1HE   LYS  60          1HE       LYS  60   7.402  -7.991 -13.051
  416   2HE   LYS  60          2HE       LYS  60   5.998  -7.806 -14.083
  417   1HZ   LYS  60          1HZ       LYS  60   7.171  -5.329 -13.291
  418   2HZ   LYS  60          2HZ       LYS  60   8.172  -6.265 -14.179
  419   3HZ   LYS  60          3HZ       LYS  60   6.712  -5.837 -14.774
  420    H    ALA  61           H        ALA  61   2.722 -10.594  -9.028
  421    HA   ALA  61           HA       ALA  61   1.490 -12.146 -10.058
  422   1HB   ALA  61          1HB       ALA  61   3.459 -12.701 -12.238
  423   2HB   ALA  61          3HB       ALA  61   1.691 -12.512 -12.315
  424   3HB   ALA  61          2HB       ALA  61   2.734 -11.075 -12.197
  425    H    ASP  62           H        ASP  62   3.098 -12.717  -7.888
  426    HA   ASP  62           HA       ASP  62   4.412 -15.200  -8.622
  427   1HB   ASP  62          1HB       ASP  62   5.644 -13.457  -7.248
  428   2HB   ASP  62          2HB       ASP  62   4.457 -13.672  -5.977
  429    H    LYS  63           H        LYS  63   4.169 -16.909  -6.633
  430    HA   LYS  63           HA       LYS  63   1.347 -16.880  -5.814
  431   1HB   LYS  63          1HB       LYS  63   2.312 -18.566  -7.679
  432   2HB   LYS  63          2HB       LYS  63   2.723 -19.486  -6.246
  433   1HG   LYS  63          1HG       LYS  63   0.535 -19.969  -5.772
  434   2HG   LYS  63          2HG       LYS  63  -0.003 -18.339  -6.124
  435   1HD   LYS  63          1HD       LYS  63  -0.521 -18.833  -8.310
  436   2HD   LYS  63          2HD       LYS  63   0.886 -19.857  -8.523
  437   1HE   LYS  63          1HE       LYS  63  -1.587 -20.685  -6.931
  438   2HE   LYS  63          2HE       LYS  63  -1.334 -21.093  -8.616
  439   1HZ   LYS  63          1HZ       LYS  63   0.563 -21.791  -6.486
  440   2HZ   LYS  63          2HZ       LYS  63  -0.599 -22.800  -7.032
  441   3HZ   LYS  63          3HZ       LYS  63   0.593 -22.309  -8.034
  442    H    SER  64           H        SER  64   2.043 -15.800  -3.842
  443    HA   SER  64           HA       SER  64   2.501 -17.608  -1.804
  444   1HB   SER  64          1HB       SER  64   4.874 -17.302  -2.970
  445   2HB   SER  64          2HB       SER  64   4.907 -15.798  -2.071
  446    HG   SER  64           HG       SER  64   5.850 -17.341  -0.735
  447    H    VAL  65           H        VAL  65   2.685 -16.432   0.364
  448    HA   VAL  65           HA       VAL  65   1.223 -13.939   0.154
  449    HB   VAL  65           HB       VAL  65   0.349 -15.613   1.619
  450   1HG1  VAL  65          1HG1      VAL  65   3.163 -15.957   2.370
  451   2HG1  VAL  65          2HG1      VAL  65   2.063 -15.908   3.768
  452   3HG1  VAL  65          3HG1      VAL  65   1.800 -17.097   2.471
  453   1HG2  VAL  65          1HG2      VAL  65   0.652 -13.041   2.320
  454   2HG2  VAL  65          2HG2      VAL  65  -0.157 -14.234   3.364
  455   3HG2  VAL  65          3HG2      VAL  65   1.543 -13.798   3.661
  456    H    ASN  66           H        ASN  66   3.915 -13.826  -0.813
  457    HA   ASN  66           HA       ASN  66   5.019 -12.093   1.250
  458   1HB   ASN  66          1HB       ASN  66   6.624 -13.862  -0.670
  459   2HB   ASN  66          2HB       ASN  66   7.308 -12.790   0.535
  460   2HD2  ASN  66          2HD2      ASN  66   6.361 -13.122   2.803
  461   1HD2  ASN  66          1HD2      ASN  66   6.261 -14.755   3.370
  462    H    SER  67           H        SER  67   3.417 -12.122  -1.556
  463    HA   SER  67           HA       SER  67   5.192 -10.716  -3.259
  464   1HB   SER  67          1HB       SER  67   2.744 -10.239  -4.349
  465   2HB   SER  67          2HB       SER  67   3.638 -11.724  -4.601
  466    HG   SER  67           HG       SER  67   1.478 -12.197  -3.939
  467    H    TRP  68           H        TRP  68   5.383  -8.478  -3.565
  468    HA   TRP  68           HA       TRP  68   4.068  -6.849  -1.545
  469   1HB   TRP  68          1HB       TRP  68   6.369  -6.478  -1.598
  470   2HB   TRP  68          2HB       TRP  68   6.441  -6.492  -3.349
  471    HD1  TRP  68           HD1      TRP  68   6.556  -4.113  -4.429
  472    HE1  TRP  68           HE1      TRP  68   6.057  -1.612  -3.754
  473    HE3  TRP  68           HE3      TRP  68   4.569  -5.187   0.127
  474    HZ2  TRP  68           HZ2      TRP  68   4.913  -0.390  -1.442
  475    HZ3  TRP  68           HZ3      TRP  68   3.785  -3.282   1.530
  476    HH2  TRP  68           HH2      TRP  68   3.932  -0.950   0.812
  477    H    TYR  69           H        TYR  69   3.002  -8.139  -4.182
  478    HA   TYR  69           HA       TYR  69   1.853  -5.631  -5.318
  479   1HB   TYR  69          1HB       TYR  69   3.276  -6.750  -6.930
  480   2HB   TYR  69          2HB       TYR  69   2.475  -8.300  -6.623
  481    HD1  TYR  69           HD1      TYR  69  -0.012  -8.508  -7.203
  482    HD2  TYR  69           HD2      TYR  69   2.466  -5.278  -8.575
  483    HE1  TYR  69           HE1      TYR  69  -1.644  -8.022  -9.006
  484    HE2  TYR  69           HE2      TYR  69   0.833  -4.791 -10.377
  485    HH   TYR  69           HH       TYR  69  -0.990  -5.890 -11.636
  486    H    LYS  70           H        LYS  70   1.234  -8.456  -3.451
  487    HA   LYS  70           HA       LYS  70  -1.544  -8.532  -4.359
  488   1HB   LYS  70          1HB       LYS  70  -0.051 -10.626  -4.138
  489   2HB   LYS  70          2HB       LYS  70  -0.244 -10.434  -2.407
  490   1HG   LYS  70          1HG       LYS  70  -2.861 -10.155  -3.277
  491   2HG   LYS  70          2HG       LYS  70  -2.231 -11.295  -4.449
  492   1HD   LYS  70          2HD       LYS  70  -2.234 -11.591  -1.413
  493   2HD   LYS  70          1HD       LYS  70  -3.126 -12.560  -2.570
  494   1HE   LYS  70          1HE       LYS  70  -1.187 -13.696  -3.325
  495   2HE   LYS  70          2HE       LYS  70  -0.106 -12.430  -2.777
  496   1HZ   LYS  70          1HZ       LYS  70  -0.688 -13.040  -0.504
  497   2HZ   LYS  70          2HZ       LYS  70  -1.619 -14.264  -1.051
  498   3HZ   LYS  70          3HZ       LYS  70  -0.007 -14.286  -1.310
  499    H    VAL  71           H        VAL  71   0.536  -8.076  -1.441
  500    HA   VAL  71           HA       VAL  71  -1.610  -7.606   0.308
  501    HB   VAL  71           HB       VAL  71   0.141  -6.671   1.768
  502   1HG1  VAL  71          1HG1      VAL  71   0.658  -9.291   0.351
  503   2HG1  VAL  71          2HG1      VAL  71   1.633  -8.758   1.742
  504   3HG1  VAL  71          3HG1      VAL  71  -0.120  -9.009   1.927
  505   1HG2  VAL  71          1HG2      VAL  71   1.455  -5.563  -0.049
  506   2HG2  VAL  71          2HG2      VAL  71   2.445  -6.526   1.073
  507   3HG2  VAL  71          3HG2      VAL  71   2.049  -7.168  -0.539
  508    H    VAL  72           H        VAL  72  -0.534  -5.856  -2.388
  509    HA   VAL  72           HA       VAL  72  -1.395  -3.311  -1.217
  510    HB   VAL  72           HB       VAL  72   0.187  -3.988  -3.701
  511   1HG1  VAL  72          1HG1      VAL  72  -1.019  -1.396  -2.754
  512   2HG1  VAL  72          2HG1      VAL  72   0.500  -1.397  -3.682
  513   3HG1  VAL  72          3HG1      VAL  72  -0.976  -2.096  -4.391
  514   1HG2  VAL  72          1HG2      VAL  72   1.078  -3.894  -1.135
  515   2HG2  VAL  72          2HG2      VAL  72   2.072  -3.489  -2.555
  516   3HG2  VAL  72          3HG2      VAL  72   1.289  -2.194  -1.617
  517    H    HIS  73           H        HIS  73  -1.865  -5.555  -4.015
  518    HA   HIS  73           HA       HIS  73  -4.345  -4.116  -4.580
  519   1HB   HIS  73          2HB       HIS  73  -2.861  -6.088  -6.337
  520   2HB   HIS  73          1HB       HIS  73  -4.249  -5.118  -6.789
  521    HD1  HIS  73           HD1      HIS  73  -0.537  -4.879  -6.152
  522    HD2  HIS  73           HD2      HIS  73  -3.693  -2.423  -7.419
  523    HE1  HIS  73           HE1      HIS  73   0.535  -2.752  -7.068
  524    H    ASP  74           H        ASP  74  -4.056  -5.890  -2.275
  525    HA   ASP  74           HA       ASP  74  -5.246  -8.357  -3.068
  526   1HB   ASP  74          1HB       ASP  74  -4.012  -7.201  -0.681
  527   2HB   ASP  74          2HB       ASP  74  -5.519  -7.986  -0.256
  528    H    ALA  75           H        ALA  75  -7.423  -8.241  -3.688
  529    HA   ALA  75           HA       ALA  75  -9.136  -6.233  -2.546
  530   1HB   ALA  75          1HB       ALA  75  -9.100  -8.073  -4.837
  531   2HB   ALA  75          3HB       ALA  75 -10.697  -7.970  -4.058
  532   3HB   ALA  75          2HB       ALA  75  -9.901  -6.494  -4.655
  533    H    LYS  76           H        LYS  76  -8.330  -9.645  -2.062
  534    HA   LYS  76           HA       LYS  76 -10.713 -10.233  -0.605
  535   1HB   LYS  76          1HB       LYS  76  -9.188 -11.839  -1.928
  536   2HB   LYS  76          2HB       LYS  76  -8.135 -11.802  -0.528
  537   1HG   LYS  76          1HG       LYS  76 -10.321 -12.337   0.844
  538   2HG   LYS  76          2HG       LYS  76 -10.996 -12.805  -0.704
  539   1HD   LYS  76          1HD       LYS  76  -9.804 -14.748  -0.761
  540   2HD   LYS  76          2HD       LYS  76  -8.312 -13.945  -0.314
  541   1HE   LYS  76          1HE       LYS  76  -8.487 -14.767   1.791
  542   2HE   LYS  76          2HE       LYS  76 -10.000 -13.911   2.010
  543   1HZ   LYS  76          1HZ       LYS  76 -10.616 -16.049   0.446
  544   2HZ   LYS  76          2HZ       LYS  76  -9.577 -16.655   1.550
  545   3HZ   LYS  76          3HZ       LYS  76 -10.934 -15.891   2.040
  546    H    GLY  77           H        GLY  77 -10.869 -10.627   1.697
  547   1HA   GLY  77          2HA       GLY  77 -10.648  -9.882   3.813
  548   2HA   GLY  77          1HA       GLY  77  -9.578  -8.619   3.238
  549    H    GLY  78           H        GLY  78  -9.392 -10.432   5.652
  550   1HA   GLY  78          2HA       GLY  78  -6.651 -11.372   5.138
  551   2HA   GLY  78          1HA       GLY  78  -7.823 -12.470   5.838
  552    H    ALA  79           H        ALA  79  -5.606 -11.984   7.346
  553    HA   ALA  79           HA       ALA  79  -6.551 -11.223   9.772
  554   1HB   ALA  79          1HB       ALA  79  -4.057 -10.794  10.271
  555   2HB   ALA  79          3HB       ALA  79  -4.495 -12.399   9.637
  556   3HB   ALA  79          2HB       ALA  79  -3.773 -11.182   8.558
  557    H    LYS  80           H        LYS  80  -5.619  -9.190   7.051
  558    HA   LYS  80           HA       LYS  80  -6.611  -6.896   8.449
  559   1HB   LYS  80          1HB       LYS  80  -4.332  -5.693   7.730
  560   2HB   LYS  80          2HB       LYS  80  -4.590  -6.375   9.323
  561   1HG   LYS  80          1HG       LYS  80  -3.531  -8.525   8.552
  562   2HG   LYS  80          2HG       LYS  80  -3.235  -7.801   6.984
  563   1HD   LYS  80          1HD       LYS  80  -2.062  -6.929   9.661
  564   2HD   LYS  80          2HD       LYS  80  -1.194  -7.615   8.302
  565   1HE   LYS  80          1HE       LYS  80  -1.900  -5.593   6.918
  566   2HE   LYS  80          2HE       LYS  80  -2.587  -4.897   8.372
  567   1HZ   LYS  80          1HZ       LYS  80   0.135  -5.828   8.568
  568   2HZ   LYS  80          2HZ       LYS  80  -0.107  -4.502   7.647
  569   3HZ   LYS  80          3HZ       LYS  80  -0.561  -4.501   9.216
  570    HA   PRO  81           HA       PRO  81  -7.611  -5.801   4.327
  571   1HB   PRO  81          1HB       PRO  81  -7.904  -3.092   4.541
  572   2HB   PRO  81          2HB       PRO  81  -8.976  -4.240   5.407
  573   1HG   PRO  81          2HG       PRO  81  -6.751  -2.783   6.247
  574   2HG   PRO  81          1HG       PRO  81  -8.180  -2.978   7.313
  575   1HD   PRO  81          1HD       PRO  81  -5.839  -4.386   7.679
  576   2HD   PRO  81          2HD       PRO  81  -7.438  -5.105   8.035
  577    H    THR  82           H        THR  82  -6.951  -3.898   2.578
  578    HA   THR  82           HA       THR  82  -4.040  -3.547   2.773
  579    HB   THR  82           HB       THR  82  -3.961  -4.209   0.328
  580    HG1  THR  82           HG1      THR  82  -6.660  -5.138   0.985
  581   1HG2  THR  82          1HG2      THR  82  -4.397  -5.980   2.573
  582   2HG2  THR  82          2HG2      THR  82  -5.294  -6.624   1.177
  583   3HG2  THR  82          3HG2      THR  82  -3.542  -6.333   1.052
  584    H    CYS  83           H        CYS  83  -3.709  -2.270   0.279
  585    HA   CYS  83           HA       CYS  83  -4.697   0.299   1.020
  586   1HB   CYS  83          2HB       CYS  83  -3.271  -0.333  -1.552
  587   2HB   CYS  83          1HB       CYS  83  -3.295   1.168  -0.648
  588    H    ILE  84           H        ILE  84  -6.082  -2.353  -0.477
  589    HA   ILE  84           HA       ILE  84  -7.686  -0.667  -2.270
  590    HB   ILE  84           HB       ILE  84  -6.698  -3.474  -2.446
  591   1HG1  ILE  84          1HG1      ILE  84  -5.514  -1.756  -3.671
  592   2HG1  ILE  84          2HG1      ILE  84  -6.331  -2.829  -4.791
  593   1HG2  ILE  84          1HG2      ILE  84  -9.130  -3.736  -2.495
  594   2HG2  ILE  84          2HG2      ILE  84  -9.243  -2.509  -3.780
  595   3HG2  ILE  84          3HG2      ILE  84  -8.409  -4.050  -4.092
  596   1HD1  ILE  84          1HD1      ILE  84  -8.245  -0.832  -4.252
  597   2HD1  ILE  84          2HD1      ILE  84  -6.702   0.046  -4.378
  598   3HD1  ILE  84          3HD1      ILE  84  -7.255  -0.980  -5.723
  599    H    SER  85           H        SER  85  -7.721  -3.297   0.199
  600    HA   SER  85           HA       SER  85 -10.410  -3.688   0.299
  601   1HB   SER  85          1HB       SER  85  -8.852  -3.629   2.877
  602   2HB   SER  85          2HB       SER  85 -10.015  -4.814   2.315
  603    HG   SER  85           HG       SER  85  -8.453  -5.929   1.350
  604    H    CYS  86           H        CYS  86  -8.454  -1.498   2.462
  605    HA   CYS  86           HA       CYS  86 -10.655  -0.329   3.676
  606   1HB   CYS  86          1HB       CYS  86  -8.207  -0.266   4.408
  607   2HB   CYS  86          2HB       CYS  86  -7.984   1.036   3.256
  608    H    HIS  87           H        HIS  87  -8.496   0.912   1.012
  609    HA   HIS  87           HA       HIS  87  -9.815   3.205   0.445
  610   1HB   HIS  87          1HB       HIS  87  -8.229   1.268  -1.204
  611   2HB   HIS  87          2HB       HIS  87  -9.037   2.597  -2.011
  612    HD1  HIS  87           HD1      HIS  87  -6.924   3.917  -2.605
  613    HD2  HIS  87           HD2      HIS  87  -7.271   3.093   1.493
  614    HE1  HIS  87           HE1      HIS  87  -5.121   5.298  -1.444
  615    H    LYS  88           H        LYS  88 -10.682  -0.148  -0.494
  616    HA   LYS  88           HA       LYS  88 -12.672   0.510  -2.328
  617   1HB   LYS  88          1HB       LYS  88 -11.905  -1.880  -0.722
  618   2HB   LYS  88          2HB       LYS  88 -13.531  -1.855  -1.374
  619   1HG   LYS  88          1HG       LYS  88 -11.103  -1.223  -3.103
  620   2HG   LYS  88          2HG       LYS  88 -11.664  -2.867  -2.869
  621   1HD   LYS  88          1HD       LYS  88 -14.023  -1.507  -3.503
  622   2HD   LYS  88          2HD       LYS  88 -12.836  -0.695  -4.505
  623   1HE   LYS  88          1HE       LYS  88 -13.118  -3.734  -4.388
  624   2HE   LYS  88          2HE       LYS  88 -13.950  -2.741  -5.568
  625   1HZ   LYS  88          1HZ       LYS  88 -11.273  -2.006  -5.538
  626   2HZ   LYS  88          2HZ       LYS  88 -11.337  -3.634  -5.648
  627   3HZ   LYS  88          3HZ       LYS  88 -12.113  -2.711  -6.749
  628    H    ASP  89           H        ASP  89 -12.797  -0.040   1.248
  629    HA   ASP  89           HA       ASP  89 -15.495   0.175   1.533
  630   1HB   ASP  89          1HB       ASP  89 -13.471  -0.236   3.237
  631   2HB   ASP  89          2HB       ASP  89 -13.650   1.481   3.542
  632    H    LYS  90           H        LYS  90 -12.915   2.690   1.324
  633    HA   LYS  90           HA       LYS  90 -14.534   4.879   2.000
  634   1HB   LYS  90          1HB       LYS  90 -11.833   4.413   0.892
  635   2HB   LYS  90          2HB       LYS  90 -12.561   5.938   0.431
  636   1HG   LYS  90          1HG       LYS  90 -12.212   4.899   3.282
  637   2HG   LYS  90          2HG       LYS  90 -11.303   6.200   2.539
  638   1HD   LYS  90          1HD       LYS  90 -13.837   7.135   2.120
  639   2HD   LYS  90          2HD       LYS  90 -14.117   6.195   3.572
  640   1HE   LYS  90          1HE       LYS  90 -12.246   7.410   4.716
  641   2HE   LYS  90          2HE       LYS  90 -11.972   8.352   3.264
  642   1HZ   LYS  90          1HZ       LYS  90 -14.648   8.303   4.393
  643   2HZ   LYS  90          2HZ       LYS  90 -13.512   9.221   5.124
  644   3HZ   LYS  90          3HZ       LYS  90 -13.899   9.491   3.561
  645    H    ALA  91           H        ALA  91 -13.742   3.260  -1.120
  646    HA   ALA  91           HA       ALA  91 -15.526   5.119  -2.484
  647   1HB   ALA  91          1HB       ALA  91 -14.131   2.896  -3.913
  648   2HB   ALA  91          3HB       ALA  91 -14.357   4.596  -4.388
  649   3HB   ALA  91          2HB       ALA  91 -13.106   4.163  -3.198
  650    H    GLY  92           H        GLY  92 -16.353   2.969  -0.460
  651   1HA   GLY  92          2HA       GLY  92 -17.722   1.134  -0.349
  652   2HA   GLY  92          1HA       GLY  92 -17.739   1.014  -2.098
  653    H    ASP  93           H        ASP  93 -18.768   3.187  -3.172
  654    HA   ASP  93           HA       ASP  93 -21.390   3.081  -2.845
  655   1HB   ASP  93          1HB       ASP  93 -21.821   5.297  -1.524
  656   2HB   ASP  93          2HB       ASP  93 -21.518   3.829  -0.616
  657    H    ASP  94           H        ASP  94 -18.899   5.744  -2.660
  658    HA   ASP  94           HA       ASP  94 -20.191   7.212  -4.703
  659   1HB   ASP  94          1HB       ASP  94 -18.901   8.350  -2.951
  660   2HB   ASP  94          2HB       ASP  94 -17.455   7.456  -3.374
  661    H    LYS  95           H        LYS  95 -19.886   6.900  -6.918
  662    HA   LYS  95           HA       LYS  95 -18.077   4.899  -7.809
  663   1HB   LYS  95          1HB       LYS  95 -19.973   6.806  -9.185
  664   2HB   LYS  95          2HB       LYS  95 -18.907   5.752 -10.092
  665   1HG   LYS  95          1HG       LYS  95 -19.846   3.779  -8.794
  666   2HG   LYS  95          2HG       LYS  95 -20.988   4.871  -8.037
  667   1HD   LYS  95          1HD       LYS  95 -20.746   4.505 -11.060
  668   2HD   LYS  95          2HD       LYS  95 -21.896   3.632 -10.065
  669   1HE   LYS  95          1HE       LYS  95 -23.329   5.389 -10.122
  670   2HE   LYS  95          2HE       LYS  95 -22.118   6.435  -9.406
  671   1HZ   LYS  95          1HZ       LYS  95 -21.313   6.138 -11.973
  672   2HZ   LYS  95          2HZ       LYS  95 -22.937   6.255 -12.104
  673   3HZ   LYS  95          3HZ       LYS  95 -22.091   7.435 -11.357
  674    H    GLU  96           H        GLU  96 -18.119   8.480  -7.696
  675    HA   GLU  96           HA       GLU  96 -15.896   8.792  -9.359
  676   1HB   GLU  96          1HB       GLU  96 -17.020  10.622  -7.193
  677   2HB   GLU  96          2HB       GLU  96 -15.827  11.108  -8.381
  678   1HG   GLU  96          1HG       GLU  96 -17.355  10.954 -10.184
  679   2HG   GLU  96          2HG       GLU  96 -18.420   9.860  -9.324
  680    H    LEU  97           H        LEU  97 -16.302   7.886  -5.985
  681    HA   LEU  97           HA       LEU  97 -13.633   8.616  -5.232
  682   1HB   LEU  97          1HB       LEU  97 -15.796   8.461  -3.801
  683   2HB   LEU  97          2HB       LEU  97 -15.430   6.750  -3.717
  684    HG   LEU  97           HG       LEU  97 -14.528   7.665  -1.759
  685   1HD1  LEU  97          1HD1      LEU  97 -12.997   6.158  -3.094
  686   2HD1  LEU  97          2HD1      LEU  97 -12.123   7.627  -3.591
  687   3HD1  LEU  97          3HD1      LEU  97 -12.212   7.183  -1.869
  688   1HD2  LEU  97          1HD2      LEU  97 -14.692  10.023  -2.348
  689   2HD2  LEU  97          2HD2      LEU  97 -13.089   9.651  -1.671
  690   3HD2  LEU  97          3HD2      LEU  97 -13.285   9.870  -3.427
  691    H    LYS  98           H        LYS  98 -15.206   5.974  -6.872
  692    HA   LYS  98           HA       LYS  98 -13.121   4.093  -6.185
  693   1HB   LYS  98          1HB       LYS  98 -15.599   3.535  -6.473
  694   2HB   LYS  98          2HB       LYS  98 -15.351   3.734  -8.196
  695   1HG   LYS  98          1HG       LYS  98 -13.295   2.088  -7.803
  696   2HG   LYS  98          2HG       LYS  98 -14.161   1.658  -6.341
  697   1HD   LYS  98          1HD       LYS  98 -15.496   1.657  -9.083
  698   2HD   LYS  98          2HD       LYS  98 -14.670   0.249  -8.445
  699   1HE   LYS  98          1HE       LYS  98 -16.904   1.682  -6.935
  700   2HE   LYS  98          2HE       LYS  98 -17.200   0.340  -8.022
  701   1HZ   LYS  98          1HZ       LYS  98 -15.346  -0.738  -6.565
  702   2HZ   LYS  98          2HZ       LYS  98 -15.866   0.341  -5.454
  703   3HZ   LYS  98          3HZ       LYS  98 -16.907  -0.748  -6.084
  704    H    LYS  99           H        LYS  99 -12.609   6.742  -7.628
  705    HA   LYS  99           HA       LYS  99 -11.047   5.530  -9.766
  706   1HB   LYS  99          1HB       LYS  99 -13.292   7.427 -10.133
  707   2HB   LYS  99          2HB       LYS  99 -11.821   7.836 -10.991
  708   1HG   LYS  99          1HG       LYS  99 -12.534   4.955 -11.150
  709   2HG   LYS  99          2HG       LYS  99 -13.728   6.017 -11.869
  710   1HD   LYS  99          1HD       LYS  99 -11.524   7.161 -12.934
  711   2HD   LYS  99          2HD       LYS  99 -10.861   5.561 -12.670
  712   1HE   LYS  99          1HE       LYS  99 -12.685   4.539 -13.989
  713   2HE   LYS  99          2HE       LYS  99 -13.473   6.094 -14.165
  714   1HZ   LYS  99          1HZ       LYS  99 -10.742   5.590 -15.112
  715   2HZ   LYS  99          2HZ       LYS  99 -12.061   5.394 -16.055
  716   3HZ   LYS  99          3HZ       LYS  99 -11.694   6.871 -15.463
  717    H    LYS 100           H        LYS 100 -10.085   6.138  -7.255
  718    HA   LYS 100           HA       LYS 100  -8.102   8.043  -7.902
  719   1HB   LYS 100          1HB       LYS 100  -8.794   9.464  -5.763
  720   2HB   LYS 100          2HB       LYS 100  -9.352   9.864  -7.375
  721   1HG   LYS 100          1HG       LYS 100 -11.403   8.364  -6.893
  722   2HG   LYS 100          2HG       LYS 100 -10.873   8.331  -5.223
  723   1HD   LYS 100          1HD       LYS 100 -11.260  10.962  -6.702
  724   2HD   LYS 100          2HD       LYS 100 -12.604  10.154  -5.920
  725   1HE   LYS 100          1HE       LYS 100 -11.313  10.160  -3.753
  726   2HE   LYS 100          2HE       LYS 100 -10.019  11.034  -4.548
  727   1HZ   LYS 100          1HZ       LYS 100 -12.562  12.235  -4.946
  728   2HZ   LYS 100          2HZ       LYS 100 -12.156  12.150  -3.367
  729   3HZ   LYS 100          3HZ       LYS 100 -11.167  12.905  -4.425
  730    H    LEU 101           H        LEU 101  -9.901   6.236  -5.351
  731    HA   LEU 101           HA       LEU 101  -7.387   5.817  -3.944
  732   1HB   LEU 101          1HB       LEU 101 -10.216   5.056  -3.203
  733   2HB   LEU 101          2HB       LEU 101  -8.799   4.867  -2.190
  734    HG   LEU 101           HG       LEU 101 -10.244   7.382  -2.979
  735   1HD1  LEU 101          1HD1      LEU 101 -10.623   5.942  -0.836
  736   2HD1  LEU 101          2HD1      LEU 101  -9.132   6.731  -0.268
  737   3HD1  LEU 101          3HD1      LEU 101 -10.545   7.716  -0.716
  738   1HD2  LEU 101          1HD2      LEU 101  -7.335   7.138  -2.240
  739   2HD2  LEU 101          2HD2      LEU 101  -8.098   8.097  -3.531
  740   3HD2  LEU 101          3HD2      LEU 101  -8.275   8.593  -1.831
  741    H    THR 102           H        THR 102  -9.799   4.181  -5.985
  742    HA   THR 102           HA       THR 102  -8.084   1.786  -5.885
  743    HB   THR 102           HB       THR 102 -10.077   0.424  -5.926
  744    HG1  THR 102           HG1      THR 102 -11.410   1.556  -7.374
  745   1HG2  THR 102          1HG2      THR 102  -9.684   1.705  -3.693
  746   2HG2  THR 102          2HG2      THR 102 -10.977   2.800  -4.236
  747   3HG2  THR 102          3HG2      THR 102 -11.325   1.075  -3.971
  748    H    GLY 103           H        GLY 103  -8.750   4.428  -7.668
  749   1HA   GLY 103          2HA       GLY 103  -8.601   4.923  -9.853
  750   2HA   GLY 103          1HA       GLY 103  -9.543   3.481 -10.174
  751    H    CYS 104           H        CYS 104  -8.572   1.769 -11.208
  752    HA   CYS 104           HA       CYS 104  -6.031   0.874 -10.812
  753   1HB   CYS 104          1HB       CYS 104  -8.091   0.550 -12.892
  754   2HB   CYS 104          2HB       CYS 104  -6.456   0.231 -13.436
  755    H    LYS 105           H        LYS 105  -7.273   3.171 -13.343
  756    HA   LYS 105           HA       LYS 105  -4.515   4.146 -13.606
  757   1HB   LYS 105          1HB       LYS 105  -4.919   2.910 -15.589
  758   2HB   LYS 105          2HB       LYS 105  -6.543   3.545 -15.762
  759   1HG   LYS 105          1HG       LYS 105  -5.255   5.901 -15.822
  760   2HG   LYS 105          2HG       LYS 105  -3.904   4.902 -16.318
  761   1HD   LYS 105          1HD       LYS 105  -6.055   3.941 -17.868
  762   2HD   LYS 105          2HD       LYS 105  -6.307   5.675 -17.834
  763   1HE   LYS 105          1HE       LYS 105  -4.878   5.162 -19.739
  764   2HE   LYS 105          2HE       LYS 105  -3.906   6.006 -18.550
  765   1HZ   LYS 105          1HZ       LYS 105  -3.761   3.320 -17.955
  766   2HZ   LYS 105          2HZ       LYS 105  -3.542   3.440 -19.569
  767   3HZ   LYS 105          3HZ       LYS 105  -2.575   4.273 -18.549
  768    H    GLY 106           H        GLY 106  -4.238   6.362 -13.526
  769   1HA   GLY 106          2HA       GLY 106  -6.429   8.170 -13.895
  770   2HA   GLY 106          1HA       GLY 106  -4.795   8.553 -13.392
  771    H    SER 107           H        SER 107  -4.532   6.899 -11.080
  772    HA   SER 107           HA       SER 107  -6.616   8.052  -9.394
  773   1HB   SER 107          1HB       SER 107  -6.167   6.149  -7.821
  774   2HB   SER 107          2HB       SER 107  -6.795   5.629  -9.373
  775    HG   SER 107           HG       SER 107  -5.044   4.281  -8.859
  776    H    ALA 108           H        ALA 108  -5.628   8.008  -6.913
  777    HA   ALA 108           HA       ALA 108  -3.476   9.871  -7.029
  778   1HB   ALA 108          1HB       ALA 108  -3.836   9.151  -4.369
  779   2HB   ALA 108          3HB       ALA 108  -5.435   8.844  -5.090
  780   3HB   ALA 108          2HB       ALA 108  -4.696  10.458  -5.219
  781    H    CYS 109           H        CYS 109  -3.574   6.534  -7.351
  782    HA   CYS 109           HA       CYS 109  -1.051   6.186  -5.920
  783   1HB   CYS 109          1HB       CYS 109  -3.100   4.180  -6.902
  784   2HB   CYS 109          2HB       CYS 109  -1.510   3.716  -6.330
  785    H    HIS 110           H        HIS 110  -2.774   5.651  -9.064
  786    HA   HIS 110           HA       HIS 110  -0.132   5.543 -10.328
  787   1HB   HIS 110          1HB       HIS 110  -2.701   4.168 -11.161
  788   2HB   HIS 110          2HB       HIS 110  -1.231   4.196 -12.115
  789    HD1  HIS 110           HD1      HIS 110   0.980   3.381 -10.352
  790    HD2  HIS 110           HD2      HIS 110  -2.868   1.783  -9.869
  791    HE1  HIS 110           HE1      HIS 110   1.272   1.180  -9.094
  792    HA   PRO 111           HA       PRO 111  -2.138   9.253 -12.007
  793   1HB   PRO 111          1HB       PRO 111  -0.296  11.086 -11.302
  794   2HB   PRO 111          2HB       PRO 111  -1.371  10.360 -10.064
  795   1HG   PRO 111          2HG       PRO 111   1.257   9.643 -11.007
  796   2HG   PRO 111          1HG       PRO 111   1.132   9.657  -9.217
  797   1HD   PRO 111          1HD       PRO 111   1.104   7.319 -10.586
  798   2HD   PRO 111          2HD       PRO 111  -0.029   7.561  -9.222
  799    H    SER 112           H        SER 112  -1.499   7.763 -13.995
  800    HA   SER 112           HA       SER 112   0.323   9.327 -15.521
  801   1HB   SER 112          1HB       SER 112   1.477   7.206 -14.181
  802   2HB   SER 112          2HB       SER 112   1.041   6.445 -15.698
  803    HG   SER 112           HG       SER 112   3.053   7.293 -16.095

  No H/Q in entry =         803
  Start of MODEL    3
    1    H1   VAL   1           H1       VAL   1   6.352   7.460  16.098
    2    H2   VAL   1           H2       VAL   1   7.056   6.322  15.123
    3    H3   VAL   1           H3       VAL   1   6.605   5.926  16.666
    4    HA   VAL   1           HA       VAL   1   8.189   7.291  17.621
    5    HB   VAL   1           HB       VAL   1   9.925   5.900  17.294
    6   1HG1  VAL   1          1HG1      VAL   1   7.911   4.465  17.293
    7   2HG1  VAL   1          2HG1      VAL   1   7.903   4.498  15.513
    8   3HG1  VAL   1          3HG1      VAL   1   9.257   3.738  16.383
    9   1HG2  VAL   1          1HG2      VAL   1   9.536   6.432  14.354
   10   2HG2  VAL   1          2HG2      VAL   1  10.947   6.763  15.387
   11   3HG2  VAL   1          3HG2      VAL   1  10.570   5.092  14.902
   12    H    ASP   2           H        ASP   2   7.246   8.089  14.424
   13    HA   ASP   2           HA       ASP   2   7.958  10.639  14.506
   14   1HB   ASP   2          1HB       ASP   2  10.295  10.348  14.643
   15   2HB   ASP   2          2HB       ASP   2  10.282   8.926  13.619
   16    H    VAL   3           H        VAL   3   5.856  10.167  13.336
   17    HA   VAL   3           HA       VAL   3   5.674   8.772  10.969
   18    HB   VAL   3           HB       VAL   3   4.000  10.153  12.613
   19   1HG1  VAL   3          1HG1      VAL   3   4.556  12.309  11.578
   20   2HG1  VAL   3          2HG1      VAL   3   4.068  11.679   9.987
   21   3HG1  VAL   3          3HG1      VAL   3   2.858  11.869  11.278
   22   1HG2  VAL   3          1HG2      VAL   3   3.683   8.833   9.940
   23   2HG2  VAL   3          2HG2      VAL   3   3.072   8.341  11.538
   24   3HG2  VAL   3          3HG2      VAL   3   2.285   9.672  10.656
   25    HA   PRO   4           HA       PRO   4   8.557  11.057   8.461
   26   1HB   PRO   4          2HB       PRO   4   7.069   9.432   6.387
   27   2HB   PRO   4          1HB       PRO   4   8.828   9.624   6.681
   28   1HG   PRO   4          1HG       PRO   4   7.655   7.420   7.473
   29   2HG   PRO   4          2HG       PRO   4   8.979   8.080   8.486
   30   1HD   PRO   4          2HD       PRO   4   5.979   8.155   8.877
   31   2HD   PRO   4          1HD       PRO   4   7.283   8.151  10.103
   32    H    ALA   5           H        ALA   5   8.314  12.582   6.541
   33    HA   ALA   5           HA       ALA   5   5.774  13.944   6.785
   34   1HB   ALA   5          1HB       ALA   5   7.029  15.762   6.350
   35   2HB   ALA   5          2HB       ALA   5   7.673  15.039   4.856
   36   3HB   ALA   5          3HB       ALA   5   8.454  14.699   6.419
   37    H    ASP   6           H        ASP   6   4.409  14.465   4.960
   38    HA   ASP   6           HA       ASP   6   3.856  12.347   3.359
   39   1HB   ASP   6          1HB       ASP   6   2.274  13.749   2.317
   40   2HB   ASP   6          2HB       ASP   6   2.517  14.535   3.864
   41    H    GLY   7           H        GLY   7   3.656  13.177   0.672
   42   1HA   GLY   7          2HA       GLY   7   5.950  14.404  -0.400
   43   2HA   GLY   7          1HA       GLY   7   4.797  13.397  -1.253
   44    H    ALA   8           H        ALA   8   5.073  10.950   0.237
   45    HA   ALA   8           HA       ALA   8   7.908  10.306  -0.139
   46   1HB   ALA   8          1HB       ALA   8   6.442   9.896   2.049
   47   2HB   ALA   8          3HB       ALA   8   5.935   8.444   1.152
   48   3HB   ALA   8          2HB       ALA   8   7.657   8.710   1.516
   49    H    LYS   9           H        LYS   9   8.361   9.548  -2.146
   50    HA   LYS   9           HA       LYS   9   6.258   8.261  -3.655
   51   1HB   LYS   9          2HB       LYS   9   7.379   8.971  -5.457
   52   2HB   LYS   9          1HB       LYS   9   8.297   9.957  -4.337
   53   1HG   LYS   9          1HG       LYS   9   9.761   7.738  -4.060
   54   2HG   LYS   9          2HG       LYS   9   9.064   7.325  -5.614
   55   1HD   LYS   9          1HD       LYS   9  10.949   8.485  -6.330
   56   2HD   LYS   9          2HD       LYS   9   9.799   9.806  -6.269
   57   1HE   LYS   9          1HE       LYS   9  10.603  10.121  -3.790
   58   2HE   LYS   9          2HE       LYS   9  11.958   9.108  -4.245
   59   1HZ   LYS   9          1HZ       LYS   9  11.188  11.529  -5.718
   60   2HZ   LYS   9          2HZ       LYS   9  12.330  11.501  -4.550
   61   3HZ   LYS   9          3HZ       LYS   9  12.546  10.646  -5.925
   62    H    ILE  10           H        ILE  10   6.158   6.089  -4.203
   63    HA   ILE  10           HA       ILE  10   8.154   4.411  -2.849
   64    HB   ILE  10           HB       ILE  10   5.267   3.779  -3.470
   65   1HG1  ILE  10          1HG1      ILE  10   6.351   4.185  -0.698
   66   2HG1  ILE  10          2HG1      ILE  10   5.885   5.578  -1.654
   67   1HG2  ILE  10          1HG2      ILE  10   6.830   1.837  -3.450
   68   2HG2  ILE  10          2HG2      ILE  10   7.252   2.248  -1.770
   69   3HG2  ILE  10          3HG2      ILE  10   5.584   1.780  -2.180
   70   1HD1  ILE  10          1HD1      ILE  10   4.029   3.190  -1.326
   71   2HD1  ILE  10          2HD1      ILE  10   4.063   4.527  -0.152
   72   3HD1  ILE  10          3HD1      ILE  10   3.617   4.842  -1.846
   73    H    ASP  11           H        ASP  11   9.341   3.008  -4.067
   74    HA   ASP  11           HA       ASP  11   8.338   2.132  -6.573
   75   1HB   ASP  11          1HB       ASP  11   9.192   4.154  -7.480
   76   2HB   ASP  11          2HB       ASP  11  10.555   4.186  -6.379
   77    H    PHE  12           H        PHE  12   8.736   0.007  -5.711
   78    HA   PHE  12           HA       PHE  12  11.550  -0.558  -5.089
   79   1HB   PHE  12          1HB       PHE  12   8.913  -1.916  -4.262
   80   2HB   PHE  12          2HB       PHE  12  10.498  -2.473  -3.765
   81    HD1  PHE  12           HD1      PHE  12  11.788   0.162  -3.156
   82    HD2  PHE  12           HD2      PHE  12   7.927  -1.330  -2.224
   83    HE1  PHE  12           HE1      PHE  12  11.690   1.669  -1.151
   84    HE2  PHE  12           HE2      PHE  12   7.829   0.176  -0.218
   85    HZ   PHE  12           HZ       PHE  12   9.712   1.658   0.294
   86    H    ILE  13           H        ILE  13   8.693  -1.353  -7.028
   87    HA   ILE  13           HA       ILE  13  10.010  -3.725  -8.082
   88    HB   ILE  13           HB       ILE  13   7.251  -2.561  -8.453
   89   1HG1  ILE  13          1HG1      ILE  13   8.044  -5.176  -7.157
   90   2HG1  ILE  13          2HG1      ILE  13   7.905  -3.682  -6.251
   91   1HG2  ILE  13          1HG2      ILE  13   8.276  -3.747 -10.491
   92   2HG2  ILE  13          2HG2      ILE  13   8.148  -5.233  -9.519
   93   3HG2  ILE  13          3HG2      ILE  13   6.686  -4.296  -9.909
   94   1HD1  ILE  13          1HD1      ILE  13   5.556  -3.896  -7.895
   95   2HD1  ILE  13          2HD1      ILE  13   5.802  -5.462  -7.085
   96   3HD1  ILE  13          3HD1      ILE  13   5.667  -3.972  -6.120
   97    H    ALA  14           H        ALA  14  11.813  -2.572  -9.067
   98    HA   ALA  14           HA       ALA  14  11.475  -0.497 -10.889
   99   1HB   ALA  14          1HB       ALA  14  13.600  -1.317  -9.754
  100   2HB   ALA  14          3HB       ALA  14  13.754  -0.947 -11.489
  101   3HB   ALA  14          2HB       ALA  14  13.631  -2.638 -10.947
  102    H    GLY  15           H        GLY  15  12.253  -0.870 -13.335
  103   1HA   GLY  15          2HA       GLY  15  10.243  -1.856 -14.809
  104   2HA   GLY  15          1HA       GLY  15  11.187  -3.301 -14.504
  105    H    GLY  16           H        GLY  16  12.296   0.121 -14.962
  106   1HA   GLY  16          2HA       GLY  16  13.812  -0.811 -17.327
  107   2HA   GLY  16          1HA       GLY  16  14.442   0.317 -16.144
  108    H    GLU  17           H        GLU  17  13.764   2.514 -16.139
  109    HA   GLU  17           HA       GLU  17  12.849   4.353 -16.869
  110   1HB   GLU  17          1HB       GLU  17  14.456   3.608 -18.768
  111   2HB   GLU  17          2HB       GLU  17  13.014   3.191 -19.673
  112   1HG   GLU  17          2HG       GLU  17  13.533   5.433 -20.328
  113   2HG   GLU  17          1HG       GLU  17  12.177   5.582 -19.229
  114    H    LYS  18           H        LYS  18  10.974   2.145 -16.190
  115    HA   LYS  18           HA       LYS  18   8.621   3.358 -17.219
  116   1HB   LYS  18          2HB       LYS  18   7.704   1.532 -18.461
  117   2HB   LYS  18          1HB       LYS  18   9.266   1.925 -19.151
  118   1HG   LYS  18          1HG       LYS  18  10.226  -0.067 -18.483
  119   2HG   LYS  18          2HG       LYS  18   9.338  -0.115 -16.972
  120   1HD   LYS  18          1HD       LYS  18   7.285  -0.437 -18.796
  121   2HD   LYS  18          2HD       LYS  18   8.603  -1.226 -19.639
  122   1HE   LYS  18          1HE       LYS  18   8.675  -2.977 -18.156
  123   2HE   LYS  18          2HE       LYS  18   8.471  -1.935 -16.761
  124   1HZ   LYS  18          1HZ       LYS  18   6.103  -1.731 -17.505
  125   2HZ   LYS  18          2HZ       LYS  18   6.382  -2.967 -18.535
  126   3HZ   LYS  18          3HZ       LYS  18   6.540  -3.194 -16.925
  127    H    ASN  19           H        ASN  19   9.638   3.217 -14.657
  128    HA   ASN  19           HA       ASN  19   8.186   1.004 -13.462
  129   1HB   ASN  19          1HB       ASN  19   9.445   2.059 -11.334
  130   2HB   ASN  19          2HB       ASN  19  10.288   0.984 -12.432
  131   2HD2  ASN  19          2HD2      ASN  19   9.362   4.423 -12.241
  132   1HD2  ASN  19          1HD2      ASN  19  10.888   5.088 -12.719
  133    H    LEU  20           H        LEU  20   6.313   1.453 -12.239
  134    HA   LEU  20           HA       LEU  20   5.313   4.132 -12.328
  135   1HB   LEU  20          1HB       LEU  20   4.235   1.546 -11.207
  136   2HB   LEU  20          2HB       LEU  20   3.372   3.069 -11.125
  137    HG   LEU  20           HG       LEU  20   4.193   1.612 -13.652
  138   1HD1  LEU  20          1HD1      LEU  20   2.184   0.874 -12.066
  139   2HD1  LEU  20          2HD1      LEU  20   1.349   2.167 -12.959
  140   3HD1  LEU  20          3HD1      LEU  20   2.076   0.803 -13.841
  141   1HD2  LEU  20          1HD2      LEU  20   2.864   4.292 -13.241
  142   2HD2  LEU  20          2HD2      LEU  20   4.310   3.898 -14.200
  143   3HD2  LEU  20          3HD2      LEU  20   2.704   3.363 -14.750
  144    H    THR  21           H        THR  21   5.232   5.646 -10.706
  145    HA   THR  21           HA       THR  21   6.392   4.808  -8.129
  146    HB   THR  21           HB       THR  21   6.597   7.611  -9.289
  147    HG1  THR  21           HG1      THR  21   7.344   5.875 -10.823
  148   1HG2  THR  21          1HG2      THR  21   8.185   5.868  -7.354
  149   2HG2  THR  21          2HG2      THR  21   8.922   7.286  -8.137
  150   3HG2  THR  21          3HG2      THR  21   7.511   7.491  -7.071
  151    H    VAL  22           H        VAL  22   4.830   4.641  -6.648
  152    HA   VAL  22           HA       VAL  22   2.500   6.351  -6.914
  153    HB   VAL  22           HB       VAL  22   3.213   4.006  -5.152
  154   1HG1  VAL  22          1HG1      VAL  22   1.166   6.064  -4.778
  155   2HG1  VAL  22          2HG1      VAL  22   0.483   4.423  -4.875
  156   3HG1  VAL  22          3HG1      VAL  22   1.733   4.796  -3.664
  157   1HG2  VAL  22          1HG2      VAL  22   2.353   4.051  -7.756
  158   2HG2  VAL  22          2HG2      VAL  22   2.102   2.706  -6.618
  159   3HG2  VAL  22          3HG2      VAL  22   0.817   3.912  -6.867
  160    H    VAL  23           H        VAL  23   1.822   7.852  -5.312
  161    HA   VAL  23           HA       VAL  23   4.032   8.715  -3.587
  162    HB   VAL  23           HB       VAL  23   1.717  10.157  -4.874
  163   1HG1  VAL  23          1HG1      VAL  23   3.216  10.838  -2.419
  164   2HG1  VAL  23          2HG1      VAL  23   3.130  12.138  -3.633
  165   3HG1  VAL  23          3HG1      VAL  23   1.634  11.412  -2.999
  166   1HG2  VAL  23          1HG2      VAL  23   4.118   9.639  -5.933
  167   2HG2  VAL  23          2HG2      VAL  23   3.254  11.166  -6.231
  168   3HG2  VAL  23          3HG2      VAL  23   4.547  11.098  -5.009
  169    H    PHE  24           H        PHE  24   3.827   8.547  -1.405
  170    HA   PHE  24           HA       PHE  24   1.117   8.021  -0.401
  171   1HB   PHE  24          1HB       PHE  24   2.908   6.107  -0.482
  172   2HB   PHE  24          2HB       PHE  24   3.810   7.033   0.701
  173    HD1  PHE  24           HD1      PHE  24   0.229   6.020   0.296
  174    HD2  PHE  24           HD2      PHE  24   3.631   6.189   2.827
  175    HE1  PHE  24           HE1      PHE  24  -1.090   4.945   2.141
  176    HE2  PHE  24           HE2      PHE  24   2.312   5.115   4.672
  177    HZ   PHE  24           HZ       PHE  24  -0.033   4.505   4.307
  178    H    ASN  25           H        ASN  25   0.984   8.464   2.069
  179    HA   ASN  25           HA       ASN  25   2.843  10.415   2.996
  180   1HB   ASN  25          1HB       ASN  25   1.428  11.953   1.768
  181   2HB   ASN  25          2HB       ASN  25  -0.035  11.135   2.279
  182   2HD2  ASN  25          2HD2      ASN  25  -0.869  13.083   3.046
  183   1HD2  ASN  25          1HD2      ASN  25  -0.370  13.789   4.547
  184    H    HIS  26           H        HIS  26   2.695  10.587   5.333
  185    HA   HIS  26           HA       HIS  26   1.063   8.522   6.519
  186   1HB   HIS  26          1HB       HIS  26   3.463  10.103   7.299
  187   2HB   HIS  26          2HB       HIS  26   2.417   9.568   8.599
  188    HD1  HIS  26           HD1      HIS  26   4.634   8.221   5.835
  189    HD2  HIS  26           HD2      HIS  26   2.511   6.829   9.175
  190    HE1  HIS  26           HE1      HIS  26   5.382   5.810   6.204
  191    H    SER  27           H        SER  27   1.168  12.025   6.130
  192    HA   SER  27           HA       SER  27  -0.519  12.553   8.333
  193   1HB   SER  27          1HB       SER  27  -0.673  14.634   6.339
  194   2HB   SER  27          2HB       SER  27   0.137  14.668   7.893
  195    HG   SER  27           HG       SER  27   1.231  14.497   5.388
  196    H    THR  28           H        THR  28  -1.087  10.865   5.535
  197    HA   THR  28           HA       THR  28  -3.716  12.022   5.003
  198    HB   THR  28           HB       THR  28  -2.023   9.856   3.650
  199    HG1  THR  28           HG1      THR  28  -2.075  11.714   2.042
  200   1HG2  THR  28          1HG2      THR  28  -4.650   9.739   3.387
  201   2HG2  THR  28          2HG2      THR  28  -4.456  11.253   2.471
  202   3HG2  THR  28          3HG2      THR  28  -3.652   9.767   1.913
  203    H    HIS  29           H        HIS  29  -2.155   9.071   6.315
  204    HA   HIS  29           HA       HIS  29  -4.837   8.096   6.946
  205   1HB   HIS  29          1HB       HIS  29  -2.222   6.569   7.018
  206   2HB   HIS  29          2HB       HIS  29  -3.836   5.908   7.189
  207    HD1  HIS  29           HD1      HIS  29  -1.442   7.267   4.608
  208    HD2  HIS  29           HD2      HIS  29  -5.261   5.538   4.781
  209    HE1  HIS  29           HE1      HIS  29  -2.075   6.689   2.205
  210    H    LYS  30           H        LYS  30  -3.329  10.323   8.326
  211    HA   LYS  30           HA       LYS  30  -2.204   9.437  10.697
  212   1HB   LYS  30          2HB       LYS  30  -2.520  11.700  11.479
  213   2HB   LYS  30          1HB       LYS  30  -2.021  11.725   9.799
  214   1HG   LYS  30          2HG       LYS  30  -3.798  13.245   9.749
  215   2HG   LYS  30          1HG       LYS  30  -4.620  11.767   9.292
  216   1HD   LYS  30          2HD       LYS  30  -6.040  12.167  11.023
  217   2HD   LYS  30          1HD       LYS  30  -4.733  11.677  12.082
  218   1HE   LYS  30          1HE       LYS  30  -4.398  14.465  11.216
  219   2HE   LYS  30          2HE       LYS  30  -5.959  14.225  11.975
  220   1HZ   LYS  30          1HZ       LYS  30  -4.724  13.097  13.793
  221   2HZ   LYS  30          2HZ       LYS  30  -3.329  13.611  13.117
  222   3HZ   LYS  30          3HZ       LYS  30  -4.422  14.697  13.658
  223    H    ASP  31           H        ASP  31  -5.487   9.311   9.561
  224    HA   ASP  31           HA       ASP  31  -6.552   9.219  12.222
  225   1HB   ASP  31          1HB       ASP  31  -8.055  10.223  10.706
  226   2HB   ASP  31          2HB       ASP  31  -7.661   9.105   9.416
  227    H    VAL  32           H        VAL  32  -4.784   7.149  10.297
  228    HA   VAL  32           HA       VAL  32  -6.304   4.775  11.123
  229    HB   VAL  32           HB       VAL  32  -4.207   5.057   8.962
  230   1HG1  VAL  32          1HG1      VAL  32  -4.509   2.790  10.048
  231   2HG1  VAL  32          2HG1      VAL  32  -6.171   2.792   9.411
  232   3HG1  VAL  32          3HG1      VAL  32  -4.789   2.842   8.291
  233   1HG2  VAL  32          1HG2      VAL  32  -7.132   5.533   8.957
  234   2HG2  VAL  32          2HG2      VAL  32  -5.862   6.155   7.876
  235   3HG2  VAL  32          3HG2      VAL  32  -6.515   4.517   7.632
  236    H    LYS  33           H        LYS  33  -5.379   3.325  12.528
  237    HA   LYS  33           HA       LYS  33  -3.289   4.140  14.133
  238   1HB   LYS  33          1HB       LYS  33  -4.381   1.358  13.619
  239   2HB   LYS  33          2HB       LYS  33  -3.298   1.774  14.931
  240   1HG   LYS  33          1HG       LYS  33  -5.863   3.346  14.545
  241   2HG   LYS  33          2HG       LYS  33  -5.913   1.783  15.335
  242   1HD   LYS  33          1HD       LYS  33  -3.744   3.528  16.352
  243   2HD   LYS  33          2HD       LYS  33  -5.340   4.214  16.581
  244   1HE   LYS  33          1HE       LYS  33  -6.008   1.863  17.517
  245   2HE   LYS  33          2HE       LYS  33  -4.287   1.549  17.605
  246   1HZ   LYS  33          1HZ       LYS  33  -4.824   4.064  18.690
  247   2HZ   LYS  33          2HZ       LYS  33  -5.816   2.971  19.390
  248   3HZ   LYS  33          3HZ       LYS  33  -4.198   2.749  19.429
  249    H    CYS  34           H        CYS  34  -1.120   3.093  14.424
  250    HA   CYS  34           HA       CYS  34   0.236   3.157  11.931
  251   1HB   CYS  34          2HB       CYS  34   1.414   2.306  14.572
  252   2HB   CYS  34          1HB       CYS  34   2.238   2.991  13.186
  253    H    ASP  35           H        ASP  35  -0.692   0.681  14.392
  254    HA   ASP  35           HA       ASP  35   0.685  -1.417  13.216
  255   1HB   ASP  35          1HB       ASP  35  -0.943  -2.853  14.523
  256   2HB   ASP  35          2HB       ASP  35  -0.132  -1.630  15.480
  257    H    ASP  36           H        ASP  36  -1.978   0.429  12.125
  258    HA   ASP  36           HA       ASP  36  -3.622  -1.518  11.045
  259   1HB   ASP  36          1HB       ASP  36  -3.865   1.115  11.307
  260   2HB   ASP  36          2HB       ASP  36  -3.158   1.161   9.704
  261    H    CYS  37           H        CYS  37  -0.433  -0.381  10.218
  262    HA   CYS  37           HA       CYS  37  -0.607  -1.821   7.679
  263   1HB   CYS  37          1HB       CYS  37   0.767   0.846   8.137
  264   2HB   CYS  37          2HB       CYS  37   1.023  -0.158   6.724
  265    H    HIS  38           H        HIS  38   1.487  -0.372  10.268
  266    HA   HIS  38           HA       HIS  38   3.643  -2.130   9.651
  267   1HB   HIS  38          1HB       HIS  38   3.177  -0.285  12.010
  268   2HB   HIS  38          2HB       HIS  38   4.677  -1.125  11.669
  269    HD1  HIS  38           HD1      HIS  38   5.797  -0.476   9.221
  270    HD2  HIS  38           HD2      HIS  38   2.972   2.179  10.823
  271    HE1  HIS  38           HE1      HIS  38   6.129   1.741   8.003
  272    H    HIS  39           H        HIS  39   2.428  -4.186   9.741
  273    HA   HIS  39           HA       HIS  39   1.531  -4.958  12.378
  274   1HB   HIS  39          2HB       HIS  39   0.481  -6.767  11.353
  275   2HB   HIS  39          1HB       HIS  39   0.313  -5.466  10.191
  276    HD1  HIS  39           HD1      HIS  39   1.534  -8.905  10.530
  277    HD2  HIS  39           HD2      HIS  39   2.253  -5.666   7.964
  278    HE1  HIS  39           HE1      HIS  39   2.673  -9.871   8.461
  279    H    GLN  40           H        GLN  40   3.979  -4.480  12.973
  280    HA   GLN  40           HA       GLN  40   5.263  -7.084  12.874
  281   1HB   GLN  40          1HB       GLN  40   6.478  -4.407  12.147
  282   2HB   GLN  40          2HB       GLN  40   7.493  -5.676  12.803
  283   1HG   GLN  40          2HG       GLN  40   5.749  -5.876  10.304
  284   2HG   GLN  40          1HG       GLN  40   7.498  -5.777  10.338
  285   2HE2  GLN  40          2HE2      GLN  40   4.880  -7.795  10.162
  286   1HE2  GLN  40          1HE2      GLN  40   5.604  -9.311  10.586
  287    HA   PRO  41           HA       PRO  41   5.679  -6.780  17.213
  288   1HB   PRO  41          1HB       PRO  41   8.256  -7.788  17.543
  289   2HB   PRO  41          2HB       PRO  41   6.814  -8.788  17.172
  290   1HG   PRO  41          1HG       PRO  41   8.784  -7.539  15.268
  291   2HG   PRO  41          2HG       PRO  41   8.423  -9.288  15.097
  292   1HD   PRO  41          1HD       PRO  41   7.066  -7.739  13.518
  293   2HD   PRO  41          2HD       PRO  41   6.051  -8.724  14.614
  294    H    GLY  42           H        GLY  42   6.672  -5.435  18.889
  295   1HA   GLY  42          2HA       GLY  42   7.863  -3.698  19.692
  296   2HA   GLY  42          1HA       GLY  42   7.435  -2.920  18.181
  297    H    ASP  43           H        ASP  43   9.700  -1.933  18.926
  298    HA   ASP  43           HA       ASP  43  11.845  -1.731  18.630
  299   1HB   ASP  43          1HB       ASP  43  11.856  -4.204  19.511
  300   2HB   ASP  43          2HB       ASP  43  12.109  -4.655  17.837
  301    H    LYS  44           H        LYS  44  10.878  -4.409  16.338
  302    HA   LYS  44           HA       LYS  44  11.825  -2.707  14.140
  303   1HB   LYS  44          1HB       LYS  44  11.816  -5.705  14.513
  304   2HB   LYS  44          2HB       LYS  44  11.973  -4.972  12.929
  305   1HG   LYS  44          1HG       LYS  44  13.978  -3.730  13.645
  306   2HG   LYS  44          2HG       LYS  44  13.782  -4.290  15.294
  307   1HD   LYS  44          1HD       LYS  44  13.827  -6.704  14.044
  308   2HD   LYS  44          2HD       LYS  44  14.762  -5.787  12.880
  309   1HE   LYS  44          1HE       LYS  44  15.857  -4.962  15.318
  310   2HE   LYS  44          2HE       LYS  44  15.495  -6.651  15.616
  311   1HZ   LYS  44          1HZ       LYS  44  16.578  -6.693  13.165
  312   2HZ   LYS  44          2HZ       LYS  44  17.444  -5.511  13.886
  313   3HZ   LYS  44          3HZ       LYS  44  17.388  -7.003  14.549
  314    H    GLN  45           H        GLN  45   9.160  -2.699  15.596
  315    HA   GLN  45           HA       GLN  45   7.293  -3.989  13.997
  316   1HB   GLN  45          1HB       GLN  45   6.664  -3.243  16.201
  317   2HB   GLN  45          2HB       GLN  45   7.120  -1.587  15.854
  318   1HG   GLN  45          1HG       GLN  45   5.188  -1.152  14.637
  319   2HG   GLN  45          2HG       GLN  45   5.062  -2.794  14.037
  320   2HE2  GLN  45          2HE2      GLN  45   2.835  -1.600  14.884
  321   1HE2  GLN  45          1HE2      GLN  45   2.272  -2.246  16.389
  322    H    TYR  46           H        TYR  46   9.180  -1.129  13.580
  323    HA   TYR  46           HA       TYR  46   7.517  -0.309  11.245
  324   1HB   TYR  46          2HB       TYR  46   9.518   1.302  12.864
  325   2HB   TYR  46          1HB       TYR  46   8.532   1.900  11.519
  326    HD1  TYR  46           HD1      TYR  46   6.122   2.267  11.787
  327    HD2  TYR  46           HD2      TYR  46   8.561   0.933  15.062
  328    HE1  TYR  46           HE1      TYR  46   4.312   2.859  13.375
  329    HE2  TYR  46           HE2      TYR  46   6.750   1.525  16.650
  330    HH   TYR  46           HH       TYR  46   3.898   3.309  15.701
  331    H    ALA  47           H        ALA  47   8.796  -2.327  10.288
  332    HA   ALA  47           HA       ALA  47  11.419  -1.343   9.397
  333   1HB   ALA  47          1HB       ALA  47  11.286  -3.483  10.785
  334   2HB   ALA  47          3HB       ALA  47  10.429  -4.215   9.408
  335   3HB   ALA  47          2HB       ALA  47  12.098  -3.629   9.208
  336    H    GLY  48           H        GLY  48  11.913  -2.644   7.135
  337   1HA   GLY  48          2HA       GLY  48  11.499  -2.519   4.924
  338   2HA   GLY  48          1HA       GLY  48  10.145  -1.457   5.258
  339    H    CYS  49           H        CYS  49   8.761  -2.476   3.710
  340    HA   CYS  49           HA       CYS  49   7.448  -4.788   4.766
  341   1HB   CYS  49          2HB       CYS  49   6.869  -3.439   2.133
  342   2HB   CYS  49          1HB       CYS  49   5.796  -4.425   3.106
  343    H    THR  50           H        THR  50   9.766  -3.907   2.206
  344    HA   THR  50           HA       THR  50   9.580  -6.546   0.994
  345    HB   THR  50           HB       THR  50  11.293  -5.464  -0.573
  346    HG1  THR  50           HG1      THR  50  12.122  -3.582   0.244
  347   1HG2  THR  50          1HG2      THR  50   8.728  -5.211  -0.895
  348   2HG2  THR  50          2HG2      THR  50   8.899  -3.623  -0.110
  349   3HG2  THR  50          3HG2      THR  50   9.741  -3.953  -1.643
  350    H    THR  51           H        THR  51  10.566  -5.966   3.861
  351    HA   THR  51           HA       THR  51  13.352  -6.486   3.830
  352    HB   THR  51           HB       THR  51  11.307  -7.019   6.042
  353    HG1  THR  51           HG1      THR  51  11.443  -4.750   6.339
  354   1HG2  THR  51          1HG2      THR  51  13.772  -7.654   6.416
  355   2HG2  THR  51          2HG2      THR  51  14.165  -5.936   6.168
  356   3HG2  THR  51          3HG2      THR  51  13.137  -6.425   7.536
  357    H    ASP  52           H        ASP  52  14.452  -8.433   4.577
  358    HA   ASP  52           HA       ASP  52  13.763 -10.595   3.069
  359   1HB   ASP  52          1HB       ASP  52  15.734  -9.908   5.091
  360   2HB   ASP  52          2HB       ASP  52  15.179 -11.546   5.378
  361    H    GLY  53           H        GLY  53  12.970 -12.784   3.765
  362   1HA   GLY  53          2HA       GLY  53  11.999 -13.415   6.286
  363   2HA   GLY  53          1HA       GLY  53  11.486 -14.136   4.774
  364    H    CYS  54           H        CYS  54  10.716 -11.232   3.847
  365    HA   CYS  54           HA       CYS  54   8.115 -11.297   5.181
  366   1HB   CYS  54          1HB       CYS  54   9.549  -8.723   4.466
  367   2HB   CYS  54          2HB       CYS  54   8.025  -8.894   5.315
  368    H    HIS  55           H        HIS  55   7.969  -8.654   3.278
  369    HA   HIS  55           HA       HIS  55   7.002 -10.208   1.026
  370   1HB   HIS  55          2HB       HIS  55   6.688  -7.237   1.490
  371   2HB   HIS  55          1HB       HIS  55   5.761  -8.262   0.412
  372    HD1  HIS  55           HD1      HIS  55   4.171 -10.109   1.649
  373    HD2  HIS  55           HD2      HIS  55   5.646  -6.987   4.031
  374    HE1  HIS  55           HE1      HIS  55   2.719 -10.063   3.747
  375    H    ASN  56           H        ASN  56   9.723 -10.399   1.122
  376    HA   ASN  56           HA       ASN  56  10.839  -8.257  -0.411
  377   1HB   ASN  56          1HB       ASN  56  12.135  -9.505   1.378
  378   2HB   ASN  56          2HB       ASN  56  12.047 -10.955   0.399
  379   2HD2  ASN  56          2HD2      ASN  56  14.377  -9.534   1.304
  380   1HD2  ASN  56          1HD2      ASN  56  15.282  -9.038  -0.087
  381    H    ILE  57           H        ILE  57   9.025  -8.873  -2.137
  382    HA   ILE  57           HA       ILE  57  10.246 -10.784  -3.991
  383    HB   ILE  57           HB       ILE  57   7.289 -10.555  -3.426
  384   1HG1  ILE  57          1HG1      ILE  57   8.867 -11.668  -1.663
  385   2HG1  ILE  57          2HG1      ILE  57   7.368 -12.448  -2.128
  386   1HG2  ILE  57          1HG2      ILE  57   8.881 -11.836  -5.556
  387   2HG2  ILE  57          2HG2      ILE  57   7.636 -12.867  -4.809
  388   3HG2  ILE  57          3HG2      ILE  57   7.181 -11.309  -5.540
  389   1HD1  ILE  57          1HD1      ILE  57   9.806 -13.096  -3.764
  390   2HD1  ILE  57          2HD1      ILE  57   9.711 -13.770  -2.119
  391   3HD1  ILE  57          3HD1      ILE  57   8.437 -14.138  -3.307
  392    H    LEU  58           H        LEU  58  11.003  -9.544  -5.624
  393    HA   LEU  58           HA       LEU  58   9.400  -7.209  -6.370
  394   1HB   LEU  58          2HB       LEU  58  12.279  -7.880  -6.996
  395   2HB   LEU  58          1HB       LEU  58  11.437  -6.416  -7.465
  396    HG   LEU  58           HG       LEU  58  12.161  -7.292  -4.660
  397   1HD1  LEU  58          1HD1      LEU  58  13.400  -5.566  -6.655
  398   2HD1  LEU  58          2HD1      LEU  58  13.115  -4.728  -5.111
  399   3HD1  LEU  58          3HD1      LEU  58  14.060  -6.235  -5.144
  400   1HD2  LEU  58          1HD2      LEU  58  10.125  -5.365  -5.599
  401   2HD2  LEU  58          2HD2      LEU  58  10.267  -6.238  -4.054
  402   3HD2  LEU  58          3HD2      LEU  58  11.229  -4.768  -4.338
  403    H    ASP  59           H        ASP  59   8.750 -10.069  -7.012
  404    HA   ASP  59           HA       ASP  59   9.064  -9.863  -9.903
  405   1HB   ASP  59          1HB       ASP  59   9.595 -12.016  -8.106
  406   2HB   ASP  59          2HB       ASP  59   8.142 -12.474  -8.972
  407    H    LYS  60           H        LYS  60   7.101  -8.412  -9.845
  408    HA   LYS  60           HA       LYS  60   4.708  -9.002  -8.680
  409   1HB   LYS  60          1HB       LYS  60   3.720  -7.501 -10.301
  410   2HB   LYS  60          2HB       LYS  60   5.274  -6.878  -9.785
  411   1HG   LYS  60          1HG       LYS  60   6.182  -8.233 -11.900
  412   2HG   LYS  60          2HG       LYS  60   4.517  -8.122 -12.437
  413   1HD   LYS  60          1HD       LYS  60   5.229  -5.519 -11.476
  414   2HD   LYS  60          2HD       LYS  60   6.575  -6.068 -12.455
  415   1HE   LYS  60          1HE       LYS  60   5.150  -5.049 -14.045
  416   2HE   LYS  60          2HE       LYS  60   4.773  -6.751 -14.222
  417   1HZ   LYS  60          1HZ       LYS  60   3.155  -5.759 -12.221
  418   2HZ   LYS  60          2HZ       LYS  60   3.079  -4.684 -13.449
  419   3HZ   LYS  60          3HZ       LYS  60   2.708  -6.252 -13.712
  420    H    ALA  61           H        ALA  61   2.848 -10.189  -9.223
  421    HA   ALA  61           HA       ALA  61   1.604 -11.712 -10.272
  422   1HB   ALA  61          1HB       ALA  61   3.552 -12.206 -12.487
  423   2HB   ALA  61          3HB       ALA  61   1.783 -12.013 -12.542
  424   3HB   ALA  61          2HB       ALA  61   2.830 -10.582 -12.385
  425    H    ASP  62           H        ASP  62   3.355 -12.320  -8.158
  426    HA   ASP  62           HA       ASP  62   4.565 -14.822  -8.986
  427   1HB   ASP  62          1HB       ASP  62   5.790 -13.035  -7.567
  428   2HB   ASP  62          2HB       ASP  62   4.718 -13.479  -6.253
  429    H    LYS  63           H        LYS  63   4.397 -16.500  -6.900
  430    HA   LYS  63           HA       LYS  63   1.588 -16.473  -6.043
  431   1HB   LYS  63          1HB       LYS  63   3.149 -18.587  -7.452
  432   2HB   LYS  63          2HB       LYS  63   2.064 -19.113  -6.180
  433   1HG   LYS  63          1HG       LYS  63   1.090 -17.146  -8.275
  434   2HG   LYS  63          2HG       LYS  63   1.154 -18.857  -8.649
  435   1HD   LYS  63          1HD       LYS  63  -0.156 -19.194  -6.405
  436   2HD   LYS  63          2HD       LYS  63  -0.478 -17.473  -6.489
  437   1HE   LYS  63          1HE       LYS  63  -1.926 -17.685  -8.277
  438   2HE   LYS  63          2HE       LYS  63  -0.990 -18.964  -9.025
  439   1HZ   LYS  63          1HZ       LYS  63  -2.161 -19.732  -6.546
  440   2HZ   LYS  63          2HZ       LYS  63  -3.270 -19.313  -7.669
  441   3HZ   LYS  63          3HZ       LYS  63  -2.189 -20.494  -7.990
  442    H    SER  64           H        SER  64   2.231 -15.472  -4.052
  443    HA   SER  64           HA       SER  64   2.839 -17.315  -2.079
  444   1HB   SER  64          1HB       SER  64   5.165 -16.097  -3.340
  445   2HB   SER  64          2HB       SER  64   5.072 -15.594  -1.664
  446    HG   SER  64           HG       SER  64   5.987 -17.919  -2.585
  447    H    VAL  65           H        VAL  65   2.991 -16.195   0.125
  448    HA   VAL  65           HA       VAL  65   1.324 -13.832   0.035
  449    HB   VAL  65           HB       VAL  65   0.689 -15.618   1.500
  450   1HG1  VAL  65          1HG1      VAL  65   3.536 -15.436   2.466
  451   2HG1  VAL  65          2HG1      VAL  65   2.260 -16.062   3.538
  452   3HG1  VAL  65          3HG1      VAL  65   2.591 -16.866   1.985
  453   1HG2  VAL  65          1HG2      VAL  65   0.593 -13.101   2.213
  454   2HG2  VAL  65          2HG2      VAL  65   0.215 -14.373   3.400
  455   3HG2  VAL  65          3HG2      VAL  65   1.812 -13.587   3.415
  456    H    ASN  66           H        ASN  66   4.404 -14.088  -0.645
  457    HA   ASN  66           HA       ASN  66   5.269 -12.060   1.252
  458   1HB   ASN  66          2HB       ASN  66   6.937 -13.734  -0.699
  459   2HB   ASN  66          1HB       ASN  66   7.581 -12.637   0.507
  460   2HD2  ASN  66          2HD2      ASN  66   6.644 -13.032   2.782
  461   1HD2  ASN  66          1HD2      ASN  66   6.643 -14.672   3.338
  462    H    SER  67           H        SER  67   3.625 -12.125  -1.519
  463    HA   SER  67           HA       SER  67   5.300 -10.665  -3.265
  464   1HB   SER  67          1HB       SER  67   2.872 -10.223  -4.322
  465   2HB   SER  67          2HB       SER  67   3.690 -11.764  -4.495
  466    HG   SER  67           HG       SER  67   1.431 -11.924  -3.762
  467    H    TRP  68           H        TRP  68   5.463  -8.425  -3.547
  468    HA   TRP  68           HA       TRP  68   4.164  -6.827  -1.487
  469   1HB   TRP  68          1HB       TRP  68   6.445  -6.417  -1.511
  470   2HB   TRP  68          2HB       TRP  68   6.555  -6.476  -3.259
  471    HD1  TRP  68           HD1      TRP  68   6.690  -4.127  -4.398
  472    HE1  TRP  68           HE1      TRP  68   6.177  -1.609  -3.799
  473    HE3  TRP  68           HE3      TRP  68   4.611  -5.083   0.142
  474    HZ2  TRP  68           HZ2      TRP  68   4.985  -0.328  -1.544
  475    HZ3  TRP  68           HZ3      TRP  68   3.798  -3.143   1.479
  476    HH2  TRP  68           HH2      TRP  68   3.959  -0.830   0.704
  477    H    TYR  69           H        TYR  69   3.086  -8.087  -4.124
  478    HA   TYR  69           HA       TYR  69   1.922  -5.568  -5.220
  479   1HB   TYR  69          1HB       TYR  69   3.325  -6.560  -6.889
  480   2HB   TYR  69          2HB       TYR  69   2.673  -8.176  -6.568
  481    HD1  TYR  69           HD1      TYR  69   0.152  -8.547  -7.035
  482    HD2  TYR  69           HD2      TYR  69   2.403  -5.227  -8.574
  483    HE1  TYR  69           HE1      TYR  69  -1.555  -8.209  -8.802
  484    HE2  TYR  69           HE2      TYR  69   0.695  -4.889 -10.341
  485    HH   TYR  69           HH       TYR  69  -1.236  -6.742 -11.495
  486    H    LYS  70           H        LYS  70   1.339  -8.448  -3.428
  487    HA   LYS  70           HA       LYS  70  -1.434  -8.542  -4.351
  488   1HB   LYS  70          1HB       LYS  70  -0.005 -10.633  -4.245
  489   2HB   LYS  70          2HB       LYS  70  -0.013 -10.472  -2.501
  490   1HG   LYS  70          1HG       LYS  70  -2.675 -10.241  -2.906
  491   2HG   LYS  70          2HG       LYS  70  -2.288 -11.141  -4.359
  492   1HD   LYS  70          1HD       LYS  70  -1.308 -12.042  -1.620
  493   2HD   LYS  70          2HD       LYS  70  -2.887 -12.502  -2.224
  494   1HE   LYS  70          2HE       LYS  70  -0.192 -13.120  -3.519
  495   2HE   LYS  70          1HE       LYS  70  -1.282 -14.271  -2.772
  496   1HZ   LYS  70          1HZ       LYS  70  -2.846 -13.080  -4.582
  497   2HZ   LYS  70          2HZ       LYS  70  -1.412 -13.093  -5.362
  498   3HZ   LYS  70          3HZ       LYS  70  -2.059 -14.491  -4.821
  499    H    VAL  71           H        VAL  71   0.637  -8.092  -1.432
  500    HA   VAL  71           HA       VAL  71  -1.506  -7.734   0.344
  501    HB   VAL  71           HB       VAL  71   0.231  -6.729   1.792
  502   1HG1  VAL  71          1HG1      VAL  71  -0.140  -9.277   1.317
  503   2HG1  VAL  71          2HG1      VAL  71   1.452  -9.171   0.526
  504   3HG1  VAL  71          3HG1      VAL  71   1.283  -8.747   2.247
  505   1HG2  VAL  71          1HG2      VAL  71   1.458  -5.929  -0.508
  506   2HG2  VAL  71          2HG2      VAL  71   2.256  -6.026   1.081
  507   3HG2  VAL  71          3HG2      VAL  71   2.428  -7.360  -0.085
  508    H    VAL  72           H        VAL  72  -0.528  -5.893  -2.331
  509    HA   VAL  72           HA       VAL  72  -1.459  -3.401  -1.107
  510    HB   VAL  72           HB       VAL  72   0.062  -3.990  -3.652
  511   1HG1  VAL  72          1HG1      VAL  72  -1.636  -2.016  -3.658
  512   2HG1  VAL  72          2HG1      VAL  72  -0.458  -1.218  -2.589
  513   3HG1  VAL  72          3HG1      VAL  72   0.027  -1.730  -4.223
  514   1HG2  VAL  72          1HG2      VAL  72   1.013  -3.874  -1.085
  515   2HG2  VAL  72          2HG2      VAL  72   1.964  -3.510  -2.544
  516   3HG2  VAL  72          3HG2      VAL  72   1.212  -2.188  -1.619
  517    H    HIS  73           H        HIS  73  -1.849  -5.455  -4.078
  518    HA   HIS  73           HA       HIS  73  -4.387  -4.124  -4.548
  519   1HB   HIS  73          2HB       HIS  73  -2.948  -6.171  -6.255
  520   2HB   HIS  73          1HB       HIS  73  -4.333  -5.203  -6.721
  521    HD1  HIS  73           HD1      HIS  73  -0.611  -4.971  -6.133
  522    HD2  HIS  73           HD2      HIS  73  -3.762  -2.545  -7.467
  523    HE1  HIS  73           HE1      HIS  73   0.467  -2.890  -7.143
  524    H    ASP  74           H        ASP  74  -3.865  -5.995  -2.234
  525    HA   ASP  74           HA       ASP  74  -5.175  -8.404  -2.920
  526   1HB   ASP  74          1HB       ASP  74  -3.832  -7.227  -0.614
  527   2HB   ASP  74          2HB       ASP  74  -5.345  -7.949  -0.102
  528    H    ALA  75           H        ALA  75  -7.413  -8.740  -2.952
  529    HA   ALA  75           HA       ALA  75  -9.071  -6.579  -1.861
  530   1HB   ALA  75          1HB       ALA  75  -9.873  -8.721  -3.860
  531   2HB   ALA  75          3HB       ALA  75  -9.132  -7.177  -4.347
  532   3HB   ALA  75          2HB       ALA  75 -10.698  -7.185  -3.502
  533    H    LYS  76           H        LYS  76  -7.818  -9.582  -1.065
  534    HA   LYS  76           HA       LYS  76 -10.257 -10.643   0.071
  535   1HB   LYS  76          1HB       LYS  76  -8.363 -11.985  -1.058
  536   2HB   LYS  76          2HB       LYS  76  -7.468 -11.744   0.429
  537   1HG   LYS  76          1HG       LYS  76  -9.645 -12.625   1.620
  538   2HG   LYS  76          2HG       LYS  76 -10.092 -13.221   0.034
  539   1HD   LYS  76          2HD       LYS  76  -8.879 -15.073   0.594
  540   2HD   LYS  76          1HD       LYS  76  -7.477 -14.099   0.200
  541   1HE   LYS  76          1HE       LYS  76  -7.191 -13.432   2.539
  542   2HE   LYS  76          2HE       LYS  76  -8.717 -14.168   2.989
  543   1HZ   LYS  76          1HZ       LYS  76  -6.573 -15.750   1.779
  544   2HZ   LYS  76          2HZ       LYS  76  -6.630 -15.484   3.390
  545   3HZ   LYS  76          3HZ       LYS  76  -7.852 -16.276   2.649
  546    H    GLY  77           H        GLY  77 -10.517 -11.058   2.375
  547   1HA   GLY  77          2HA       GLY  77 -10.667  -9.379   4.188
  548   2HA   GLY  77          1HA       GLY  77  -8.932  -9.191   4.037
  549    H    GLY  78           H        GLY  78  -9.046  -9.791   6.422
  550   1HA   GLY  78          2HA       GLY  78  -8.428 -12.599   6.696
  551   2HA   GLY  78          1HA       GLY  78  -9.895 -12.110   7.520
  552    H    ALA  79           H        ALA  79  -6.364 -11.507   7.244
  553    HA   ALA  79           HA       ALA  79  -6.199 -11.059  10.053
  554   1HB   ALA  79          1HB       ALA  79  -3.759 -10.658   9.446
  555   2HB   ALA  79          3HB       ALA  79  -4.217 -10.946   7.751
  556   3HB   ALA  79          2HB       ALA  79  -4.418 -12.238   8.958
  557    H    LYS  80           H        LYS  80  -5.829  -9.037   7.070
  558    HA   LYS  80           HA       LYS  80  -6.788  -6.756   8.473
  559   1HB   LYS  80          1HB       LYS  80  -4.524  -5.513   7.798
  560   2HB   LYS  80          2HB       LYS  80  -4.778  -6.226   9.378
  561   1HG   LYS  80          1HG       LYS  80  -3.727  -8.382   8.471
  562   2HG   LYS  80          2HG       LYS  80  -3.310  -7.491   7.020
  563   1HD   LYS  80          1HD       LYS  80  -2.409  -6.797   9.856
  564   2HD   LYS  80          2HD       LYS  80  -1.410  -7.533   8.619
  565   1HE   LYS  80          1HE       LYS  80  -2.750  -4.809   8.285
  566   2HE   LYS  80          2HE       LYS  80  -1.116  -5.009   8.886
  567   1HZ   LYS  80          1HZ       LYS  80  -1.381  -6.509   6.566
  568   2HZ   LYS  80          2HZ       LYS  80  -1.967  -5.017   6.256
  569   3HZ   LYS  80          3HZ       LYS  80  -0.444  -5.195   6.816
  570    HA   PRO  81           HA       PRO  81  -7.859  -5.653   4.384
  571   1HB   PRO  81          1HB       PRO  81  -7.981  -2.914   4.572
  572   2HB   PRO  81          2HB       PRO  81  -9.128  -4.001   5.421
  573   1HG   PRO  81          1HG       PRO  81  -6.801  -2.675   6.310
  574   2HG   PRO  81          2HG       PRO  81  -8.309  -2.762   7.279
  575   1HD   PRO  81          1HD       PRO  81  -6.139  -4.339   7.828
  576   2HD   PRO  81          2HD       PRO  81  -7.805  -4.974   7.990
  577    H    THR  82           H        THR  82  -7.138  -3.638   2.680
  578    HA   THR  82           HA       THR  82  -4.216  -3.471   2.783
  579    HB   THR  82           HB       THR  82  -4.218  -4.187   0.334
  580    HG1  THR  82           HG1      THR  82  -6.368  -5.442  -0.039
  581   1HG2  THR  82          1HG2      THR  82  -4.562  -5.878   2.656
  582   2HG2  THR  82          2HG2      THR  82  -5.509  -6.573   1.318
  583   3HG2  THR  82          3HG2      THR  82  -3.764  -6.283   1.117
  584    H    CYS  83           H        CYS  83  -3.856  -2.273   0.265
  585    HA   CYS  83           HA       CYS  83  -4.759   0.344   0.932
  586   1HB   CYS  83          2HB       CYS  83  -3.390  -0.401  -1.639
  587   2HB   CYS  83          1HB       CYS  83  -3.344   1.118  -0.767
  588    H    ILE  84           H        ILE  84  -6.244  -2.305  -0.476
  589    HA   ILE  84           HA       ILE  84  -7.822  -0.615  -2.288
  590    HB   ILE  84           HB       ILE  84  -6.911  -3.451  -2.421
  591   1HG1  ILE  84          1HG1      ILE  84  -5.781  -1.597  -3.658
  592   2HG1  ILE  84          2HG1      ILE  84  -6.365  -2.900  -4.674
  593   1HG2  ILE  84          1HG2      ILE  84  -9.573  -2.428  -3.369
  594   2HG2  ILE  84          2HG2      ILE  84  -8.712  -3.691  -4.281
  595   3HG2  ILE  84          3HG2      ILE  84  -9.160  -3.971  -2.582
  596   1HD1  ILE  84          1HD1      ILE  84  -8.380  -0.773  -4.256
  597   2HD1  ILE  84          2HD1      ILE  84  -6.901  -0.208  -5.070
  598   3HD1  ILE  84          3HD1      ILE  84  -7.843  -1.549  -5.765
  599    H    SER  85           H        SER  85  -7.897  -3.206   0.223
  600    HA   SER  85           HA       SER  85 -10.594  -3.518   0.364
  601   1HB   SER  85          1HB       SER  85  -8.491  -4.572   1.690
  602   2HB   SER  85          2HB       SER  85  -9.040  -3.469   2.937
  603    HG   SER  85           HG       SER  85 -10.183  -5.341   3.317
  604    H    CYS  86           H        CYS  86  -8.554  -1.368   2.490
  605    HA   CYS  86           HA       CYS  86 -10.703  -0.116   3.707
  606   1HB   CYS  86          1HB       CYS  86  -8.219  -0.120   4.378
  607   2HB   CYS  86          2HB       CYS  86  -8.019   1.201   3.244
  608    H    HIS  87           H        HIS  87  -8.549   1.008   0.988
  609    HA   HIS  87           HA       HIS  87  -9.801   3.340   0.411
  610   1HB   HIS  87          1HB       HIS  87  -8.310   1.330  -1.245
  611   2HB   HIS  87          2HB       HIS  87  -9.068   2.695  -2.041
  612    HD1  HIS  87           HD1      HIS  87  -6.785   3.759  -2.674
  613    HD2  HIS  87           HD2      HIS  87  -7.360   3.270   1.453
  614    HE1  HIS  87           HE1      HIS  87  -4.941   5.102  -1.531
  615    H    LYS  88           H        LYS  88 -10.802   0.004  -0.420
  616    HA   LYS  88           HA       LYS  88 -12.794   0.703  -2.252
  617   1HB   LYS  88          1HB       LYS  88 -12.044  -1.695  -0.658
  618   2HB   LYS  88          2HB       LYS  88 -13.695  -1.634  -1.243
  619   1HG   LYS  88          1HG       LYS  88 -12.848  -1.194  -3.564
  620   2HG   LYS  88          2HG       LYS  88 -11.201  -1.276  -2.973
  621   1HD   LYS  88          1HD       LYS  88 -11.247  -3.518  -3.300
  622   2HD   LYS  88          2HD       LYS  88 -12.426  -3.645  -2.011
  623   1HE   LYS  88          1HE       LYS  88 -14.217  -3.060  -3.803
  624   2HE   LYS  88          2HE       LYS  88 -12.964  -3.345  -4.995
  625   1HZ   LYS  88          1HZ       LYS  88 -12.849  -5.476  -3.297
  626   2HZ   LYS  88          2HZ       LYS  88 -14.447  -5.222  -3.521
  627   3HZ   LYS  88          3HZ       LYS  88 -13.471  -5.466  -4.807
  628    H    ASP  89           H        ASP  89 -12.874   0.171   1.328
  629    HA   ASP  89           HA       ASP  89 -15.564   0.479   1.646
  630   1HB   ASP  89          1HB       ASP  89 -13.539  -0.025   3.324
  631   2HB   ASP  89          2HB       ASP  89 -13.644   1.695   3.642
  632    H    LYS  90           H        LYS  90 -12.889   2.891   1.421
  633    HA   LYS  90           HA       LYS  90 -14.350   5.144   2.165
  634   1HB   LYS  90          1HB       LYS  90 -11.764   4.545   0.879
  635   2HB   LYS  90          2HB       LYS  90 -12.449   6.093   0.426
  636   1HG   LYS  90          2HG       LYS  90 -11.960   5.105   3.275
  637   2HG   LYS  90          1HG       LYS  90 -11.043   6.342   2.439
  638   1HD   LYS  90          1HD       LYS  90 -13.527   7.414   2.159
  639   2HD   LYS  90          2HD       LYS  90 -13.799   6.494   3.626
  640   1HE   LYS  90          1HE       LYS  90 -11.842   7.603   4.703
  641   2HE   LYS  90          2HE       LYS  90 -11.524   8.497   3.230
  642   1HZ   LYS  90          1HZ       LYS  90 -14.173   8.901   3.849
  643   2HZ   LYS  90          2HZ       LYS  90 -13.354   9.087   5.250
  644   3HZ   LYS  90          3HZ       LYS  90 -12.955   9.985   3.945
  645    H    ALA  91           H        ALA  91 -13.930   3.462  -0.985
  646    HA   ALA  91           HA       ALA  91 -15.654   5.442  -2.245
  647   1HB   ALA  91          1HB       ALA  91 -14.772   3.139  -3.845
  648   2HB   ALA  91          3HB       ALA  91 -14.557   4.881  -4.139
  649   3HB   ALA  91          2HB       ALA  91 -13.422   4.010  -3.080
  650    H    GLY  92           H        GLY  92 -16.528   3.468  -0.083
  651   1HA   GLY  92          2HA       GLY  92 -18.064   1.797   0.222
  652   2HA   GLY  92          1HA       GLY  92 -18.222   1.597  -1.512
  653    H    ASP  93           H        ASP  93 -19.059   3.885  -2.595
  654    HA   ASP  93           HA       ASP  93 -21.677   4.039  -2.023
  655   1HB   ASP  93          1HB       ASP  93 -21.736   6.396  -0.915
  656   2HB   ASP  93          2HB       ASP  93 -21.443   5.010   0.117
  657    H    ASP  94           H        ASP  94 -18.941   6.434  -2.374
  658    HA   ASP  94           HA       ASP  94 -20.306   7.741  -4.500
  659   1HB   ASP  94          1HB       ASP  94 -18.868   8.990  -2.915
  660   2HB   ASP  94          2HB       ASP  94 -17.478   8.029  -3.382
  661    H    LYS  95           H        LYS  95 -20.072   7.211  -6.687
  662    HA   LYS  95           HA       LYS  95 -18.398   5.016  -7.390
  663   1HB   LYS  95          1HB       LYS  95 -20.747   5.813  -8.311
  664   2HB   LYS  95          2HB       LYS  95 -19.765   6.758  -9.413
  665   1HG   LYS  95          1HG       LYS  95 -18.506   4.653 -10.033
  666   2HG   LYS  95          2HG       LYS  95 -19.582   3.736  -8.998
  667   1HD   LYS  95          1HD       LYS  95 -21.528   4.360 -10.357
  668   2HD   LYS  95          2HD       LYS  95 -20.566   5.475 -11.307
  669   1HE   LYS  95          1HE       LYS  95 -20.171   3.768 -12.753
  670   2HE   LYS  95          2HE       LYS  95 -19.159   3.043 -11.519
  671   1HZ   LYS  95          1HZ       LYS  95 -21.646   2.380 -10.747
  672   2HZ   LYS  95          2HZ       LYS  95 -21.760   2.288 -12.373
  673   3HZ   LYS  95          3HZ       LYS  95 -20.632   1.411 -11.583
  674    H    GLU  96           H        GLU  96 -18.338   8.586  -7.805
  675    HA   GLU  96           HA       GLU  96 -16.152   8.581  -9.535
  676   1HB   GLU  96          1HB       GLU  96 -17.727  10.493  -9.233
  677   2HB   GLU  96          2HB       GLU  96 -17.103  10.755  -7.617
  678   1HG   GLU  96          1HG       GLU  96 -14.747  10.843  -8.899
  679   2HG   GLU  96          2HG       GLU  96 -15.755  11.244 -10.275
  680    H    LEU  97           H        LEU  97 -16.486   8.238  -6.039
  681    HA   LEU  97           HA       LEU  97 -13.798   8.984  -5.446
  682   1HB   LEU  97          1HB       LEU  97 -15.874   9.061  -3.945
  683   2HB   LEU  97          2HB       LEU  97 -15.638   7.338  -3.725
  684    HG   LEU  97           HG       LEU  97 -14.678   8.534  -1.867
  685   1HD1  LEU  97          1HD1      LEU  97 -13.474   6.523  -3.101
  686   2HD1  LEU  97          2HD1      LEU  97 -12.207   7.749  -3.348
  687   3HD1  LEU  97          3HD1      LEU  97 -12.741   7.340  -1.700
  688   1HD2  LEU  97          1HD2      LEU  97 -13.887  10.417  -3.863
  689   2HD2  LEU  97          2HD2      LEU  97 -13.803  10.557  -2.090
  690   3HD2  LEU  97          3HD2      LEU  97 -12.434   9.866  -2.994
  691    H    LYS  98           H        LYS  98 -15.371   6.199  -6.793
  692    HA   LYS  98           HA       LYS  98 -13.306   4.382  -5.902
  693   1HB   LYS  98          1HB       LYS  98 -15.762   3.785  -6.126
  694   2HB   LYS  98          2HB       LYS  98 -15.554   3.868  -7.864
  695   1HG   LYS  98          1HG       LYS  98 -13.486   2.250  -7.403
  696   2HG   LYS  98          2HG       LYS  98 -14.325   1.918  -5.901
  697   1HD   LYS  98          1HD       LYS  98 -15.604   1.675  -8.665
  698   2HD   LYS  98          2HD       LYS  98 -14.919   0.327  -7.778
  699   1HE   LYS  98          1HE       LYS  98 -16.604   0.372  -6.125
  700   2HE   LYS  98          2HE       LYS  98 -16.983   2.060  -6.404
  701   1HZ   LYS  98          1HZ       LYS  98 -17.553   0.978  -8.764
  702   2HZ   LYS  98          2HZ       LYS  98 -17.947  -0.258  -7.771
  703   3HZ   LYS  98          3HZ       LYS  98 -18.649   1.203  -7.575
  704    H    LYS  99           H        LYS  99 -12.745   6.864  -7.588
  705    HA   LYS  99           HA       LYS  99 -11.238   5.421  -9.631
  706   1HB   LYS  99          1HB       LYS  99 -13.240   7.609 -10.092
  707   2HB   LYS  99          2HB       LYS  99 -11.815   7.532 -11.108
  708   1HG   LYS  99          1HG       LYS  99 -13.090   6.078 -12.347
  709   2HG   LYS  99          2HG       LYS  99 -12.538   4.900 -11.172
  710   1HD   LYS  99          1HD       LYS  99 -14.586   5.357  -9.781
  711   2HD   LYS  99          2HD       LYS  99 -15.144   6.488 -10.998
  712   1HE   LYS  99          1HE       LYS  99 -15.846   4.820 -12.405
  713   2HE   LYS  99          2HE       LYS  99 -14.409   3.854 -12.136
  714   1HZ   LYS  99          1HZ       LYS  99 -16.039   3.975  -9.829
  715   2HZ   LYS  99          2HZ       LYS  99 -16.863   3.379 -11.107
  716   3HZ   LYS  99          3HZ       LYS  99 -15.473   2.669 -10.628
  717    H    LYS 100           H        LYS 100 -10.185   6.086  -7.190
  718    HA   LYS 100           HA       LYS 100  -8.139   7.890  -7.968
  719   1HB   LYS 100          1HB       LYS 100  -8.675   9.352  -5.814
  720   2HB   LYS 100          2HB       LYS 100  -9.301   9.759  -7.399
  721   1HG   LYS 100          1HG       LYS 100 -11.428   8.567  -6.884
  722   2HG   LYS 100          2HG       LYS 100 -10.802   8.104  -5.314
  723   1HD   LYS 100          2HD       LYS 100 -12.192  10.051  -4.967
  724   2HD   LYS 100          1HD       LYS 100 -10.531  10.570  -4.760
  725   1HE   LYS 100          1HE       LYS 100 -11.705  12.212  -6.147
  726   2HE   LYS 100          2HE       LYS 100 -10.503  11.399  -7.130
  727   1HZ   LYS 100          1HZ       LYS 100 -13.356  10.698  -7.037
  728   2HZ   LYS 100          2HZ       LYS 100 -12.624  11.533  -8.235
  729   3HZ   LYS 100          3HZ       LYS 100 -12.232   9.969  -7.971
  730    H    LEU 101           H        LEU 101  -9.878   6.266  -5.243
  731    HA   LEU 101           HA       LEU 101  -7.319   5.732  -3.981
  732   1HB   LEU 101          2HB       LEU 101 -10.061   4.918  -3.034
  733   2HB   LEU 101          1HB       LEU 101  -8.581   5.018  -2.102
  734    HG   LEU 101           HG       LEU 101 -10.304   7.266  -3.134
  735   1HD1  LEU 101          1HD1      LEU 101 -10.391   5.940  -0.780
  736   2HD1  LEU 101          2HD1      LEU 101  -9.238   7.234  -0.373
  737   3HD1  LEU 101          3HD1      LEU 101 -10.859   7.646  -0.983
  738   1HD2  LEU 101          1HD2      LEU 101  -7.904   7.732  -3.674
  739   2HD2  LEU 101          2HD2      LEU 101  -8.651   8.888  -2.545
  740   3HD2  LEU 101          3HD2      LEU 101  -7.550   7.630  -1.932
  741    H    THR 102           H        THR 102  -9.805   4.198  -5.976
  742    HA   THR 102           HA       THR 102  -8.235   1.709  -5.836
  743    HB   THR 102           HB       THR 102 -10.322   0.471  -5.939
  744    HG1  THR 102           HG1      THR 102 -11.569   1.748  -7.347
  745   1HG2  THR 102          1HG2      THR 102  -9.819   1.661  -3.674
  746   2HG2  THR 102          2HG2      THR 102 -11.044   2.853  -4.173
  747   3HG2  THR 102          3HG2      THR 102 -11.500   1.146  -3.952
  748    H    GLY 103           H        GLY 103  -8.733   4.372  -7.649
  749   1HA   GLY 103          2HA       GLY 103  -8.536   4.841  -9.837
  750   2HA   GLY 103          1HA       GLY 103  -9.531   3.435 -10.161
  751    H    CYS 104           H        CYS 104  -8.603   1.869 -11.399
  752    HA   CYS 104           HA       CYS 104  -6.113   0.789 -10.882
  753   1HB   CYS 104          1HB       CYS 104  -8.190   0.524 -12.917
  754   2HB   CYS 104          2HB       CYS 104  -6.582   0.275 -13.569
  755    H    LYS 105           H        LYS 105  -7.184   3.029 -13.551
  756    HA   LYS 105           HA       LYS 105  -4.408   3.985 -13.660
  757   1HB   LYS 105          2HB       LYS 105  -4.699   4.306 -16.076
  758   2HB   LYS 105          1HB       LYS 105  -4.853   2.622 -15.616
  759   1HG   LYS 105          1HG       LYS 105  -7.048   2.515 -16.258
  760   2HG   LYS 105          2HG       LYS 105  -7.435   4.066 -15.540
  761   1HD   LYS 105          1HD       LYS 105  -6.258   5.189 -17.503
  762   2HD   LYS 105          2HD       LYS 105  -6.078   3.609 -18.237
  763   1HE   LYS 105          1HE       LYS 105  -8.073   4.578 -19.189
  764   2HE   LYS 105          2HE       LYS 105  -8.611   3.329 -18.083
  765   1HZ   LYS 105          1HZ       LYS 105  -8.479   5.468 -16.498
  766   2HZ   LYS 105          2HZ       LYS 105  -8.938   6.159 -17.905
  767   3HZ   LYS 105          3HZ       LYS 105  -9.837   4.963 -17.250
  768    H    GLY 106           H        GLY 106  -4.101   6.208 -13.682
  769   1HA   GLY 106          2HA       GLY 106  -6.255   8.023 -14.189
  770   2HA   GLY 106          1HA       GLY 106  -4.636   8.406 -13.636
  771    H    SER 107           H        SER 107  -4.515   6.784 -11.265
  772    HA   SER 107           HA       SER 107  -6.622   8.057  -9.699
  773   1HB   SER 107          1HB       SER 107  -6.636   6.191  -8.209
  774   2HB   SER 107          2HB       SER 107  -6.634   5.501  -9.820
  775    HG   SER 107           HG       SER 107  -4.969   4.378  -9.037
  776    H    ALA 108           H        ALA 108  -5.706   7.964  -7.160
  777    HA   ALA 108           HA       ALA 108  -3.513   9.785  -7.221
  778   1HB   ALA 108          1HB       ALA 108  -4.106  10.219  -5.027
  779   2HB   ALA 108          3HB       ALA 108  -5.641   9.558  -5.636
  780   3HB   ALA 108          2HB       ALA 108  -4.539   8.525  -4.694
  781    H    CYS 109           H        CYS 109  -3.678   6.452  -7.542
  782    HA   CYS 109           HA       CYS 109  -1.212   6.045  -6.031
  783   1HB   CYS 109          1HB       CYS 109  -3.298   4.109  -7.061
  784   2HB   CYS 109          2HB       CYS 109  -1.725   3.579  -6.500
  785    H    HIS 110           H        HIS 110  -2.841   5.531  -9.230
  786    HA   HIS 110           HA       HIS 110  -0.161   5.391 -10.408
  787   1HB   HIS 110          1HB       HIS 110  -2.712   4.019 -11.298
  788   2HB   HIS 110          2HB       HIS 110  -1.225   4.045 -12.226
  789    HD1  HIS 110           HD1      HIS 110   0.951   3.251 -10.395
  790    HD2  HIS 110           HD2      HIS 110  -2.898   1.623 -10.030
  791    HE1  HIS 110           HE1      HIS 110   1.223   1.050  -9.133
  792    HA   PRO 111           HA       PRO 111  -2.091   9.097 -12.181
  793   1HB   PRO 111          1HB       PRO 111  -0.290  10.938 -11.408
  794   2HB   PRO 111          2HB       PRO 111  -1.401  10.205 -10.205
  795   1HG   PRO 111          2HG       PRO 111   1.260   9.495 -11.043
  796   2HG   PRO 111          1HG       PRO 111   1.066   9.507  -9.259
  797   1HD   PRO 111          1HD       PRO 111   1.094   7.171 -10.635
  798   2HD   PRO 111          2HD       PRO 111  -0.086   7.408  -9.310
  799    H    SER 112           H        SER 112  -1.372   7.602 -14.135
  800    HA   SER 112           HA       SER 112   0.358   9.171 -15.686
  801   1HB   SER 112          1HB       SER 112   1.618   7.095 -14.158
  802   2HB   SER 112          2HB       SER 112   1.615   6.569 -15.829
  803    HG   SER 112           HG       SER 112   2.328   9.089 -16.024

  No H/Q in entry =         803
  Start of MODEL    4
    1    H1   VAL   1           H1       VAL   1   8.749   9.748  18.107
    2    H2   VAL   1           H2       VAL   1   8.158   8.254  17.708
    3    H3   VAL   1           H3       VAL   1   9.537   8.383  18.615
    4    HA   VAL   1           HA       VAL   1  10.816   9.078  16.924
    5    HB   VAL   1           HB       VAL   1  10.640   6.849  16.511
    6   1HG1  VAL   1          1HG1      VAL   1   7.746   7.371  16.564
    7   2HG1  VAL   1          2HG1      VAL   1   8.229   6.111  15.404
    8   3HG1  VAL   1          3HG1      VAL   1   8.669   5.955  17.122
    9   1HG2  VAL   1          1HG2      VAL   1  11.066   8.007  14.372
   10   2HG2  VAL   1          2HG2      VAL   1  10.220   6.458  14.136
   11   3HG2  VAL   1          3HG2      VAL   1   9.320   7.990  14.024
   12    H    ASP   2           H        ASP   2   7.535  10.057  16.812
   13    HA   ASP   2           HA       ASP   2   6.482  11.594  15.704
   14   1HB   ASP   2          1HB       ASP   2   9.104  12.534  15.784
   15   2HB   ASP   2          2HB       ASP   2   8.746  12.610  14.071
   16    H    VAL   3           H        VAL   3   5.143  11.013  13.988
   17    HA   VAL   3           HA       VAL   3   5.851   9.172  12.061
   18    HB   VAL   3           HB       VAL   3   3.569  10.158  12.920
   19   1HG1  VAL   3          1HG1      VAL   3   3.933  12.417  12.002
   20   2HG1  VAL   3          2HG1      VAL   3   3.994  11.735  10.359
   21   3HG1  VAL   3          3HG1      VAL   3   2.489  11.644  11.305
   22   1HG2  VAL   3          1HG2      VAL   3   3.946   8.172  11.432
   23   2HG2  VAL   3          2HG2      VAL   3   2.440   9.061  11.101
   24   3HG2  VAL   3          3HG2      VAL   3   3.849   9.267  10.033
   25    HA   PRO   4           HA       PRO   4   8.812  11.270   9.560
   26   1HB   PRO   4          1HB       PRO   4   7.521   9.418   7.529
   27   2HB   PRO   4          2HB       PRO   4   9.250   9.726   7.894
   28   1HG   PRO   4          1HG       PRO   4   8.209   7.471   9.023
   29   2HG   PRO   4          2HG       PRO   4   9.381   8.587   9.797
   30   1HD   PRO   4          2HD       PRO   4   6.376   8.290  10.200
   31   2HD   PRO   4          1HD       PRO   4   7.651   8.628  11.410
   32    H    ALA   5           H        ALA   5   8.759  12.607   7.484
   33    HA   ALA   5           HA       ALA   5   6.208  13.965   7.359
   34   1HB   ALA   5          1HB       ALA   5   7.456  15.756   6.749
   35   2HB   ALA   5          3HB       ALA   5   8.391  14.817   5.561
   36   3HB   ALA   5          2HB       ALA   5   8.844  14.776   7.282
   37    H    ASP   6           H        ASP   6   5.020  14.301   5.375
   38    HA   ASP   6           HA       ASP   6   4.657  12.030   3.919
   39   1HB   ASP   6          2HB       ASP   6   3.112  13.280   2.670
   40   2HB   ASP   6          1HB       ASP   6   3.231  14.225   4.140
   41    H    GLY   7           H        GLY   7   4.634  12.824   1.150
   42   1HA   GLY   7          2HA       GLY   7   7.123  13.909   0.306
   43   2HA   GLY   7          1HA       GLY   7   5.929  13.086  -0.678
   44    H    ALA   8           H        ALA   8   5.853  10.594   0.906
   45    HA   ALA   8           HA       ALA   8   8.594   9.621   0.656
   46   1HB   ALA   8          1HB       ALA   8   6.289   9.066   2.349
   47   2HB   ALA   8          2HB       ALA   8   6.898   7.575   1.590
   48   3HB   ALA   8          3HB       ALA   8   7.991   8.589   2.562
   49    H    LYS   9           H        LYS   9   9.016   9.233  -1.500
   50    HA   LYS   9           HA       LYS   9   7.004   8.204  -3.227
   51   1HB   LYS   9          2HB       LYS   9   8.486   8.625  -4.901
   52   2HB   LYS   9          1HB       LYS   9   9.164   9.678  -3.676
   53   1HG   LYS   9          2HG       LYS   9  11.120   8.553  -3.904
   54   2HG   LYS   9          1HG       LYS   9  10.349   7.179  -3.137
   55   1HD   LYS   9          1HD       LYS   9   9.844   6.132  -5.200
   56   2HD   LYS   9          2HD       LYS   9   9.929   7.633  -6.101
   57   1HE   LYS   9          1HE       LYS   9  12.370   7.710  -5.871
   58   2HE   LYS   9          2HE       LYS   9  12.359   6.346  -4.771
   59   1HZ   LYS   9          1HZ       LYS   9  11.029   5.704  -7.164
   60   2HZ   LYS   9          2HZ       LYS   9  12.535   6.246  -7.487
   61   3HZ   LYS   9          3HZ       LYS   9  12.322   4.978  -6.480
   62    H    ILE  10           H        ILE  10   6.824   6.104  -4.134
   63    HA   ILE  10           HA       ILE  10   8.382   4.062  -2.712
   64    HB   ILE  10           HB       ILE  10   5.460   3.855  -3.437
   65   1HG1  ILE  10          1HG1      ILE  10   6.530   4.187  -0.636
   66   2HG1  ILE  10          2HG1      ILE  10   6.112   5.577  -1.618
   67   1HG2  ILE  10          1HG2      ILE  10   7.239   1.837  -3.068
   68   2HG2  ILE  10          2HG2      ILE  10   6.661   2.084  -1.403
   69   3HG2  ILE  10          3HG2      ILE  10   5.500   1.730  -2.704
   70   1HD1  ILE  10          1HD1      ILE  10   4.150   3.283  -1.306
   71   2HD1  ILE  10          2HD1      ILE  10   4.273   4.555  -0.067
   72   3HD1  ILE  10          3HD1      ILE  10   3.821   4.979  -1.735
   73    H    ASP  11           H        ASP  11   9.485   2.718  -4.039
   74    HA   ASP  11           HA       ASP  11   8.384   1.960  -6.524
   75   1HB   ASP  11          1HB       ASP  11   9.224   4.018  -7.393
   76   2HB   ASP  11          2HB       ASP  11  10.667   3.953  -6.402
   77    H    PHE  12           H        PHE  12   8.796  -0.188  -5.725
   78    HA   PHE  12           HA       PHE  12  11.630  -0.801  -5.259
   79   1HB   PHE  12          1HB       PHE  12   9.019  -2.137  -4.320
   80   2HB   PHE  12          2HB       PHE  12  10.619  -2.731  -3.921
   81    HD1  PHE  12           HD1      PHE  12  12.100  -0.372  -3.156
   82    HD2  PHE  12           HD2      PHE  12   8.039  -1.338  -2.392
   83    HE1  PHE  12           HE1      PHE  12  12.135   1.092  -1.118
   84    HE2  PHE  12           HE2      PHE  12   8.074   0.127  -0.354
   85    HZ   PHE  12           HZ       PHE  12  10.122   1.324   0.258
   86    H    ILE  13           H        ILE  13   8.719  -1.439  -7.134
   87    HA   ILE  13           HA       ILE  13   9.952  -3.819  -8.295
   88    HB   ILE  13           HB       ILE  13   7.163  -2.679  -8.491
   89   1HG1  ILE  13          1HG1      ILE  13   8.071  -5.257  -7.191
   90   2HG1  ILE  13          2HG1      ILE  13   7.917  -3.751  -6.309
   91   1HG2  ILE  13          1HG2      ILE  13   8.445  -5.048  -9.854
   92   2HG2  ILE  13          2HG2      ILE  13   6.689  -4.930  -9.593
   93   3HG2  ILE  13          3HG2      ILE  13   7.527  -3.704 -10.575
   94   1HD1  ILE  13          1HD1      ILE  13   5.521  -3.585  -7.018
   95   2HD1  ILE  13          2HD1      ILE  13   5.687  -5.143  -7.863
   96   3HD1  ILE  13          3HD1      ILE  13   5.849  -5.069  -6.092
   97    H    ALA  14           H        ALA  14  11.581  -3.018  -9.623
   98    HA   ALA  14           HA       ALA  14  11.294  -0.728 -11.208
   99   1HB   ALA  14          1HB       ALA  14  13.479  -1.526 -10.668
  100   2HB   ALA  14          2HB       ALA  14  13.288  -1.777 -12.419
  101   3HB   ALA  14          3HB       ALA  14  13.123  -3.151 -11.300
  102    H    GLY  15           H        GLY  15  11.636  -0.985 -13.761
  103   1HA   GLY  15          2HA       GLY  15   9.416  -1.437 -15.058
  104   2HA   GLY  15          1HA       GLY  15   9.908  -3.102 -14.822
  105    H    GLY  16           H        GLY  16   9.673  -2.241 -17.415
  106   1HA   GLY  16          2HA       GLY  16  10.762  -1.926 -19.363
  107   2HA   GLY  16          1HA       GLY  16  12.010  -2.919 -18.637
  108    H    GLU  17           H        GLU  17  10.823   0.478 -18.934
  109    HA   GLU  17           HA       GLU  17  13.511   1.351 -18.246
  110   1HB   GLU  17          1HB       GLU  17  13.112   1.203 -20.786
  111   2HB   GLU  17          2HB       GLU  17  11.954   2.505 -20.594
  112   1HG   GLU  17          1HG       GLU  17  13.895   3.768 -19.355
  113   2HG   GLU  17          2HG       GLU  17  14.948   2.567 -20.075
  114    H    LYS  18           H        LYS  18  10.882   1.268 -16.797
  115    HA   LYS  18           HA       LYS  18  10.896   4.031 -15.991
  116   1HB   LYS  18          1HB       LYS  18   8.924   3.112 -17.850
  117   2HB   LYS  18          2HB       LYS  18   8.130   3.387 -16.313
  118   1HG   LYS  18          1HG       LYS  18   9.152   5.668 -16.189
  119   2HG   LYS  18          2HG       LYS  18   9.953   5.393 -17.723
  120   1HD   LYS  18          1HD       LYS  18   6.937   5.109 -17.488
  121   2HD   LYS  18          2HD       LYS  18   7.667   6.688 -17.702
  122   1HE   LYS  18          1HE       LYS  18   7.583   6.234 -19.938
  123   2HE   LYS  18          2HE       LYS  18   8.979   5.214 -19.652
  124   1HZ   LYS  18          1HZ       LYS  18   7.388   3.404 -19.178
  125   2HZ   LYS  18          2HZ       LYS  18   6.167   4.373 -19.666
  126   3HZ   LYS  18          3HZ       LYS  18   7.335   3.937 -20.721
  127    H    ASN  19           H        ASN  19   8.456   3.827 -14.440
  128    HA   ASN  19           HA       ASN  19   8.344   1.471 -13.007
  129   1HB   ASN  19          2HB       ASN  19   9.564   1.962 -10.979
  130   2HB   ASN  19          1HB       ASN  19  10.678   2.294 -12.290
  131   2HD2  ASN  19          2HD2      ASN  19  10.130   4.654 -13.250
  132   1HD2  ASN  19          1HD2      ASN  19  10.215   5.920 -12.071
  133    H    LEU  20           H        LEU  20   6.390   1.602 -11.832
  134    HA   LEU  20           HA       LEU  20   4.966   4.071 -11.943
  135   1HB   LEU  20          1HB       LEU  20   4.320   1.366 -10.769
  136   2HB   LEU  20          2HB       LEU  20   3.210   2.722 -10.762
  137    HG   LEU  20           HG       LEU  20   4.270   1.203 -13.150
  138   1HD1  LEU  20          1HD1      LEU  20   1.775   1.236 -11.612
  139   2HD1  LEU  20          2HD1      LEU  20   1.537   1.393 -13.369
  140   3HD1  LEU  20          3HD1      LEU  20   2.436   0.004 -12.713
  141   1HD2  LEU  20          1HD2      LEU  20   3.249   3.974 -13.000
  142   2HD2  LEU  20          2HD2      LEU  20   4.284   3.187 -14.215
  143   3HD2  LEU  20          3HD2      LEU  20   2.520   2.947 -14.258
  144    H    THR  21           H        THR  21   6.150   5.583 -10.702
  145    HA   THR  21           HA       THR  21   6.768   4.939  -7.957
  146    HB   THR  21           HB       THR  21   6.927   7.715  -9.139
  147    HG1  THR  21           HG1      THR  21   8.422   6.957 -10.637
  148   1HG2  THR  21          1HG2      THR  21   8.597   5.913  -7.349
  149   2HG2  THR  21          2HG2      THR  21   9.372   7.255  -8.225
  150   3HG2  THR  21          3HG2      THR  21   8.069   7.589  -7.059
  151    H    VAL  22           H        VAL  22   5.260   4.880  -6.420
  152    HA   VAL  22           HA       VAL  22   2.962   6.664  -6.744
  153    HB   VAL  22           HB       VAL  22   3.435   4.145  -5.150
  154   1HG1  VAL  22          1HG1      VAL  22   1.191   6.156  -4.985
  155   2HG1  VAL  22          2HG1      VAL  22   0.922   4.438  -4.604
  156   3HG1  VAL  22          3HG1      VAL  22   2.108   5.382  -3.671
  157   1HG2  VAL  22          1HG2      VAL  22   2.133   4.815  -7.711
  158   2HG2  VAL  22          2HG2      VAL  22   2.789   3.268  -7.123
  159   3HG2  VAL  22          3HG2      VAL  22   1.159   3.787  -6.632
  160    H    VAL  23           H        VAL  23   2.345   8.113  -5.084
  161    HA   VAL  23           HA       VAL  23   4.523   8.664  -3.199
  162    HB   VAL  23           HB       VAL  23   2.346  10.405  -4.368
  163   1HG1  VAL  23          1HG1      VAL  23   3.724  10.686  -1.877
  164   2HG1  VAL  23          2HG1      VAL  23   4.320  11.939  -2.992
  165   3HG1  VAL  23          3HG1      VAL  23   2.578  11.806  -2.651
  166   1HG2  VAL  23          1HG2      VAL  23   4.689   9.667  -5.531
  167   2HG2  VAL  23          2HG2      VAL  23   3.875  11.223  -5.822
  168   3HG2  VAL  23          3HG2      VAL  23   5.208  11.122  -4.646
  169    H    PHE  24           H        PHE  24   4.144   8.711  -0.989
  170    HA   PHE  24           HA       PHE  24   1.376   8.230  -0.163
  171   1HB   PHE  24          1HB       PHE  24   2.911   6.140  -0.279
  172   2HB   PHE  24          2HB       PHE  24   3.931   6.905   0.922
  173    HD1  PHE  24           HD1      PHE  24   0.521   5.581   0.344
  174    HD2  PHE  24           HD2      PHE  24   3.409   6.770   3.217
  175    HE1  PHE  24           HE1      PHE  24  -0.893   4.601   2.171
  176    HE2  PHE  24           HE2      PHE  24   1.994   5.791   5.044
  177    HZ   PHE  24           HZ       PHE  24  -0.140   4.718   4.499
  178    H    ASN  25           H        ASN  25   0.856   8.970   1.993
  179    HA   ASN  25           HA       ASN  25   2.944  10.587   3.201
  180   1HB   ASN  25          1HB       ASN  25   1.514  12.148   1.917
  181   2HB   ASN  25          2HB       ASN  25   0.065  11.458   2.622
  182   2HD2  ASN  25          2HD2      ASN  25  -0.306  13.726   3.171
  183   1HD2  ASN  25          1HD2      ASN  25   0.326  14.363   4.652
  184    H    HIS  26           H        HIS  26   2.728  10.718   5.547
  185    HA   HIS  26           HA       HIS  26   1.039   8.641   6.625
  186   1HB   HIS  26          1HB       HIS  26   3.421  10.188   7.537
  187   2HB   HIS  26          2HB       HIS  26   2.338   9.583   8.775
  188    HD1  HIS  26           HD1      HIS  26   4.569   8.355   5.951
  189    HD2  HIS  26           HD2      HIS  26   2.510   6.852   9.282
  190    HE1  HIS  26           HE1      HIS  26   5.342   5.941   6.239
  191    H    SER  27           H        SER  27   1.152  12.137   6.291
  192    HA   SER  27           HA       SER  27  -0.548  12.655   8.484
  193   1HB   SER  27          1HB       SER  27  -0.723  14.752   6.529
  194   2HB   SER  27          2HB       SER  27   0.143  14.759   8.052
  195    HG   SER  27           HG       SER  27   1.809  15.005   6.671
  196    H    THR  28           H        THR  28  -1.091  10.993   5.653
  197    HA   THR  28           HA       THR  28  -3.738  12.125   5.150
  198    HB   THR  28           HB       THR  28  -2.194   9.896   3.725
  199    HG1  THR  28           HG1      THR  28  -1.268  12.195   3.923
  200   1HG2  THR  28          1HG2      THR  28  -4.766  10.273   3.311
  201   2HG2  THR  28          2HG2      THR  28  -4.262  11.811   2.570
  202   3HG2  THR  28          3HG2      THR  28  -3.687  10.268   1.895
  203    H    HIS  29           H        HIS  29  -2.126   9.156   6.362
  204    HA   HIS  29           HA       HIS  29  -4.787   8.114   6.965
  205   1HB   HIS  29          2HB       HIS  29  -2.123   6.670   6.991
  206   2HB   HIS  29          1HB       HIS  29  -3.705   5.947   7.204
  207    HD1  HIS  29           HD1      HIS  29  -1.511   7.538   4.552
  208    HD2  HIS  29           HD2      HIS  29  -5.114   5.411   4.848
  209    HE1  HIS  29           HE1      HIS  29  -2.173   6.916   2.167
  210    H    LYS  30           H        LYS  30  -3.316  10.344   8.403
  211    HA   LYS  30           HA       LYS  30  -2.214   9.417  10.771
  212   1HB   LYS  30          2HB       LYS  30  -2.513  11.658  11.580
  213   2HB   LYS  30          1HB       LYS  30  -2.055  11.730   9.890
  214   1HG   LYS  30          1HG       LYS  30  -4.361  12.149   9.202
  215   2HG   LYS  30          2HG       LYS  30  -4.960  11.828  10.817
  216   1HD   LYS  30          1HD       LYS  30  -2.990  14.077  10.210
  217   2HD   LYS  30          2HD       LYS  30  -4.727  14.306  10.175
  218   1HE   LYS  30          1HE       LYS  30  -4.325  13.015  12.628
  219   2HE   LYS  30          2HE       LYS  30  -2.916  14.048  12.500
  220   1HZ   LYS  30          1HZ       LYS  30  -5.423  15.264  11.783
  221   2HZ   LYS  30          2HZ       LYS  30  -5.248  14.891  13.363
  222   3HZ   LYS  30          3HZ       LYS  30  -4.172  15.879  12.633
  223    H    ASP  31           H        ASP  31  -5.465   9.250   9.583
  224    HA   ASP  31           HA       ASP  31  -6.570   9.119  12.231
  225   1HB   ASP  31          1HB       ASP  31  -8.686   9.128  11.176
  226   2HB   ASP  31          2HB       ASP  31  -7.706  10.123  10.118
  227    H    VAL  32           H        VAL  32  -4.726   7.103  10.362
  228    HA   VAL  32           HA       VAL  32  -6.255   4.702  11.093
  229    HB   VAL  32           HB       VAL  32  -4.163   5.091   8.942
  230   1HG1  VAL  32          1HG1      VAL  32  -4.452   2.784  10.112
  231   2HG1  VAL  32          2HG1      VAL  32  -5.983   2.703   9.207
  232   3HG1  VAL  32          3HG1      VAL  32  -4.440   2.858   8.333
  233   1HG2  VAL  32          1HG2      VAL  32  -7.033   5.572   8.975
  234   2HG2  VAL  32          2HG2      VAL  32  -5.827   5.951   7.722
  235   3HG2  VAL  32          3HG2      VAL  32  -6.589   4.343   7.767
  236    H    LYS  33           H        LYS  33  -5.373   3.308  12.561
  237    HA   LYS  33           HA       LYS  33  -3.290   4.094  14.169
  238   1HB   LYS  33          1HB       LYS  33  -4.786   1.560  13.692
  239   2HB   LYS  33          2HB       LYS  33  -3.278   1.438  14.576
  240   1HG   LYS  33          2HG       LYS  33  -4.965   1.812  16.238
  241   2HG   LYS  33          1HG       LYS  33  -4.119   3.338  16.080
  242   1HD   LYS  33          1HD       LYS  33  -5.887   4.282  14.705
  243   2HD   LYS  33          2HD       LYS  33  -6.660   2.721  14.513
  244   1HE   LYS  33          1HE       LYS  33  -6.278   3.931  17.276
  245   2HE   LYS  33          2HE       LYS  33  -7.641   4.394  16.278
  246   1HZ   LYS  33          1HZ       LYS  33  -7.031   1.578  16.781
  247   2HZ   LYS  33          2HZ       LYS  33  -7.932   2.450  17.828
  248   3HZ   LYS  33          3HZ       LYS  33  -8.443   2.237  16.291
  249    H    CYS  34           H        CYS  34  -1.103   3.187  14.451
  250    HA   CYS  34           HA       CYS  34   0.268   3.210  11.984
  251   1HB   CYS  34          2HB       CYS  34   1.421   2.371  14.641
  252   2HB   CYS  34          1HB       CYS  34   2.260   3.049  13.260
  253    H    ASP  35           H        ASP  35  -0.540   0.716  14.487
  254    HA   ASP  35           HA       ASP  35   0.822  -1.358  13.279
  255   1HB   ASP  35          1HB       ASP  35  -0.761  -2.821  14.609
  256   2HB   ASP  35          2HB       ASP  35   0.036  -1.579  15.555
  257    H    ASP  36           H        ASP  36  -1.890   0.441  12.225
  258    HA   ASP  36           HA       ASP  36  -3.518  -1.529  11.170
  259   1HB   ASP  36          1HB       ASP  36  -3.806   1.092  11.424
  260   2HB   ASP  36          2HB       ASP  36  -3.092   1.157   9.825
  261    H    CYS  37           H        CYS  37  -0.351  -0.370  10.302
  262    HA   CYS  37           HA       CYS  37  -0.542  -1.821   7.770
  263   1HB   CYS  37          1HB       CYS  37   0.812   0.861   8.202
  264   2HB   CYS  37          2HB       CYS  37   1.066  -0.148   6.792
  265    H    HIS  38           H        HIS  38   1.580  -0.333  10.317
  266    HA   HIS  38           HA       HIS  38   3.733  -2.093   9.687
  267   1HB   HIS  38          1HB       HIS  38   3.310  -0.227  12.039
  268   2HB   HIS  38          2HB       HIS  38   4.809  -1.048  11.652
  269    HD1  HIS  38           HD1      HIS  38   5.775  -0.423   9.105
  270    HD2  HIS  38           HD2      HIS  38   3.098   2.255  10.909
  271    HE1  HIS  38           HE1      HIS  38   6.054   1.800   7.883
  272    H    HIS  39           H        HIS  39   2.710  -4.193   9.847
  273    HA   HIS  39           HA       HIS  39   1.833  -4.915  12.524
  274   1HB   HIS  39          2HB       HIS  39   0.726  -6.728  11.566
  275   2HB   HIS  39          1HB       HIS  39   0.499  -5.430  10.411
  276    HD1  HIS  39           HD1      HIS  39   1.640  -8.884  10.657
  277    HD2  HIS  39           HD2      HIS  39   2.400  -5.631   8.119
  278    HE1  HIS  39           HE1      HIS  39   2.685  -9.856   8.542
  279    H    GLN  40           H        GLN  40   4.560  -4.290  12.370
  280    HA   GLN  40           HA       GLN  40   5.801  -6.922  12.272
  281   1HB   GLN  40          1HB       GLN  40   6.847  -4.113  11.888
  282   2HB   GLN  40          2HB       GLN  40   7.952  -5.368  12.413
  283   1HG   GLN  40          1HG       GLN  40   7.639  -4.943   9.836
  284   2HG   GLN  40          2HG       GLN  40   7.741  -6.593  10.417
  285   2HE2  GLN  40          2HE2      GLN  40   5.923  -7.889  10.518
  286   1HE2  GLN  40          1HE2      GLN  40   4.450  -7.527   9.682
  287    HA   PRO  41           HA       PRO  41   6.273  -7.291  16.597
  288   1HB   PRO  41          1HB       PRO  41   8.998  -8.016  16.690
  289   2HB   PRO  41          2HB       PRO  41   7.628  -9.118  16.335
  290   1HG   PRO  41          1HG       PRO  41   9.432  -7.734  14.425
  291   2HG   PRO  41          2HG       PRO  41   8.889  -9.439  14.311
  292   1HD   PRO  41          1HD       PRO  41   7.677  -7.571  12.816
  293   2HD   PRO  41          2HD       PRO  41   6.657  -8.738  13.711
  294    H    GLY  42           H        GLY  42   7.135  -6.120  18.461
  295   1HA   GLY  42          2HA       GLY  42   8.128  -4.403  19.528
  296   2HA   GLY  42          1HA       GLY  42   7.640  -3.458  18.136
  297    H    ASP  43           H        ASP  43   9.810  -2.413  19.119
  298    HA   ASP  43           HA       ASP  43  11.948  -2.021  18.951
  299   1HB   ASP  43          1HB       ASP  43  11.928  -4.825  18.858
  300   2HB   ASP  43          2HB       ASP  43  12.819  -4.394  17.413
  301    H    LYS  44           H        LYS  44  10.990  -4.091  16.096
  302    HA   LYS  44           HA       LYS  44  11.902  -1.903  14.359
  303   1HB   LYS  44          1HB       LYS  44  12.375  -3.604  12.671
  304   2HB   LYS  44          2HB       LYS  44  13.287  -3.896  14.139
  305   1HG   LYS  44          1HG       LYS  44  11.505  -5.552  14.858
  306   2HG   LYS  44          2HG       LYS  44  10.709  -5.314  13.316
  307   1HD   LYS  44          1HD       LYS  44  12.623  -6.196  12.095
  308   2HD   LYS  44          2HD       LYS  44  13.623  -6.188  13.534
  309   1HE   LYS  44          2HE       LYS  44  12.997  -8.363  13.804
  310   2HE   LYS  44          1HE       LYS  44  11.454  -7.735  14.349
  311   1HZ   LYS  44          1HZ       LYS  44  11.952  -8.090  11.497
  312   2HZ   LYS  44          2HZ       LYS  44  11.509  -9.365  12.415
  313   3HZ   LYS  44          3HZ       LYS  44  10.526  -8.067  12.292
  314    H    GLN  45           H        GLN  45   9.270  -2.237  15.767
  315    HA   GLN  45           HA       GLN  45   7.288  -3.287  14.363
  316   1HB   GLN  45          1HB       GLN  45   7.062  -1.948  16.464
  317   2HB   GLN  45          2HB       GLN  45   7.271  -0.473  15.542
  318   1HG   GLN  45          1HG       GLN  45   5.140  -0.547  14.675
  319   2HG   GLN  45          2HG       GLN  45   5.168  -2.287  14.470
  320   2HE2  GLN  45          2HE2      GLN  45   2.950  -2.002  15.278
  321   1HE2  GLN  45          1HE2      GLN  45   2.661  -2.045  16.986
  322    H    TYR  46           H        TYR  46   9.110  -0.362  13.564
  323    HA   TYR  46           HA       TYR  46   7.551  -0.065  11.049
  324   1HB   TYR  46          1HB       TYR  46   9.559   1.881  12.201
  325   2HB   TYR  46          2HB       TYR  46   8.291   2.187  11.002
  326    HD1  TYR  46           HD1      TYR  46   5.889   2.218  11.713
  327    HD2  TYR  46           HD2      TYR  46   9.118   2.013  14.539
  328    HE1  TYR  46           HE1      TYR  46   4.351   2.932  13.523
  329    HE2  TYR  46           HE2      TYR  46   7.579   2.726  16.349
  330    HH   TYR  46           HH       TYR  46   4.094   3.138  15.826
  331    H    ALA  47           H        ALA  47   8.607  -1.830   9.881
  332    HA   ALA  47           HA       ALA  47  11.381  -1.136   9.198
  333   1HB   ALA  47          1HB       ALA  47  10.547  -3.400  10.590
  334   2HB   ALA  47          3HB       ALA  47  10.675  -3.970   8.909
  335   3HB   ALA  47          2HB       ALA  47  12.080  -3.221   9.704
  336    H    GLY  48           H        GLY  48  11.848  -2.702   7.052
  337   1HA   GLY  48          2HA       GLY  48  11.537  -2.628   4.813
  338   2HA   GLY  48          1HA       GLY  48  10.198  -1.520   5.039
  339    H    CYS  49           H        CYS  49   8.744  -2.536   3.602
  340    HA   CYS  49           HA       CYS  49   7.430  -4.820   4.711
  341   1HB   CYS  49          2HB       CYS  49   6.821  -3.507   2.066
  342   2HB   CYS  49          1HB       CYS  49   5.755  -4.468   3.072
  343    H    THR  50           H        THR  50   9.700  -3.999   2.084
  344    HA   THR  50           HA       THR  50   9.477  -6.662   0.932
  345    HB   THR  50           HB       THR  50  11.118  -5.635  -0.718
  346    HG1  THR  50           HG1      THR  50  11.974  -4.151   0.986
  347   1HG2  THR  50          1HG2      THR  50   8.547  -4.140  -0.031
  348   2HG2  THR  50          2HG2      THR  50   9.576  -3.643  -1.396
  349   3HG2  THR  50          3HG2      THR  50   8.834  -5.261  -1.383
  350    H    THR  51           H        THR  51  10.535  -6.020   3.762
  351    HA   THR  51           HA       THR  51  13.316  -6.552   3.678
  352    HB   THR  51           HB       THR  51  11.318  -7.034   5.945
  353    HG1  THR  51           HG1      THR  51  11.465  -4.762   6.191
  354   1HG2  THR  51          1HG2      THR  51  14.273  -6.245   5.808
  355   2HG2  THR  51          2HG2      THR  51  13.289  -6.110   7.285
  356   3HG2  THR  51          3HG2      THR  51  13.593  -7.707   6.560
  357    H    ASP  52           H        ASP  52  14.433  -8.484   4.418
  358    HA   ASP  52           HA       ASP  52  13.703 -10.674   2.976
  359   1HB   ASP  52          1HB       ASP  52  15.929 -10.006   4.257
  360   2HB   ASP  52          2HB       ASP  52  15.247 -10.942   5.573
  361    H    GLY  53           H        GLY  53  12.926 -12.849   3.733
  362   1HA   GLY  53          2HA       GLY  53  12.008 -13.427   6.287
  363   2HA   GLY  53          1HA       GLY  53  11.465 -14.180   4.801
  364    H    CYS  54           H        CYS  54  10.671 -11.302   3.822
  365    HA   CYS  54           HA       CYS  54   8.094 -11.344   5.200
  366   1HB   CYS  54          1HB       CYS  54   9.499  -8.771   4.434
  367   2HB   CYS  54          2HB       CYS  54   8.004  -8.948   5.331
  368    H    HIS  55           H        HIS  55   7.885  -8.728   3.288
  369    HA   HIS  55           HA       HIS  55   6.896 -10.299   1.063
  370   1HB   HIS  55          1HB       HIS  55   6.608  -7.321   1.486
  371   2HB   HIS  55          2HB       HIS  55   5.652  -8.359   0.447
  372    HD1  HIS  55           HD1      HIS  55   4.058 -10.153   1.737
  373    HD2  HIS  55           HD2      HIS  55   5.640  -7.036   4.056
  374    HE1  HIS  55           HE1      HIS  55   2.657 -10.064   3.868
  375    H    ASN  56           H        ASN  56   9.617 -10.505   1.120
  376    HA   ASN  56           HA       ASN  56  10.702  -8.393  -0.487
  377   1HB   ASN  56          1HB       ASN  56  12.052  -9.519   1.320
  378   2HB   ASN  56          2HB       ASN  56  11.933 -11.038   0.455
  379   2HD2  ASN  56          2HD2      ASN  56  14.307  -9.648   1.182
  380   1HD2  ASN  56          1HD2      ASN  56  15.176  -9.237  -0.259
  381    H    ILE  57           H        ILE  57   8.905  -9.071  -2.188
  382    HA   ILE  57           HA       ILE  57  10.126 -11.042  -3.974
  383    HB   ILE  57           HB       ILE  57   7.164 -10.839  -3.426
  384   1HG1  ILE  57          1HG1      ILE  57   8.709 -11.792  -1.561
  385   2HG1  ILE  57          2HG1      ILE  57   7.260 -12.664  -2.023
  386   1HG2  ILE  57          1HG2      ILE  57   8.828 -12.290  -5.408
  387   2HG2  ILE  57          2HG2      ILE  57   7.504 -13.208  -4.651
  388   3HG2  ILE  57          3HG2      ILE  57   7.155 -11.694  -5.519
  389   1HD1  ILE  57          1HD1      ILE  57   9.767 -13.312  -3.546
  390   2HD1  ILE  57          2HD1      ILE  57   9.665 -13.871  -1.860
  391   3HD1  ILE  57          3HD1      ILE  57   8.436 -14.382  -3.041
  392    H    LEU  58           H        LEU  58  10.850  -9.845  -5.654
  393    HA   LEU  58           HA       LEU  58   9.234  -7.540  -6.445
  394   1HB   LEU  58          2HB       LEU  58  12.070  -8.288  -7.173
  395   2HB   LEU  58          1HB       LEU  58  11.234  -6.825  -7.654
  396    HG   LEU  58           HG       LEU  58  12.051  -7.619  -4.848
  397   1HD1  LEU  58          1HD1      LEU  58  13.498  -6.374  -6.866
  398   2HD1  LEU  58          2HD1      LEU  58  12.937  -5.030  -5.843
  399   3HD1  LEU  58          3HD1      LEU  58  13.869  -6.366  -5.126
  400   1HD2  LEU  58          1HD2      LEU  58   9.849  -6.530  -4.808
  401   2HD2  LEU  58          2HD2      LEU  58  11.112  -5.510  -4.077
  402   3HD2  LEU  58          3HD2      LEU  58  10.517  -5.152  -5.716
  403    H    ASP  59           H        ASP  59   7.580  -9.069  -7.326
  404    HA   ASP  59           HA       ASP  59   8.109  -9.421 -10.088
  405   1HB   ASP  59          1HB       ASP  59   8.832 -11.589  -8.611
  406   2HB   ASP  59          2HB       ASP  59   7.123 -11.939  -8.773
  407    H    LYS  60           H        LYS  60   6.162  -8.759 -11.012
  408    HA   LYS  60           HA       LYS  60   3.797  -8.766  -9.345
  409   1HB   LYS  60          1HB       LYS  60   3.929  -7.734 -12.169
  410   2HB   LYS  60          2HB       LYS  60   2.915  -7.203 -10.842
  411   1HG   LYS  60          1HG       LYS  60   4.446  -5.582 -10.426
  412   2HG   LYS  60          2HG       LYS  60   5.533  -6.837  -9.867
  413   1HD   LYS  60          1HD       LYS  60   6.649  -5.499 -11.600
  414   2HD   LYS  60          2HD       LYS  60   6.405  -7.131 -12.189
  415   1HE   LYS  60          1HE       LYS  60   4.570  -6.476 -13.593
  416   2HE   LYS  60          2HE       LYS  60   4.362  -4.950 -12.758
  417   1HZ   LYS  60          1HZ       LYS  60   6.973  -5.178 -13.778
  418   2HZ   LYS  60          2HZ       LYS  60   5.881  -5.399 -14.972
  419   3HZ   LYS  60          3HZ       LYS  60   5.848  -4.033 -14.079
  420    H    ALA  61           H        ALA  61   4.564 -11.372  -9.770
  421    HA   ALA  61           HA       ALA  61   2.273 -12.484 -10.868
  422   1HB   ALA  61          1HB       ALA  61   3.977 -13.599 -12.776
  423   2HB   ALA  61          3HB       ALA  61   2.707 -12.389 -13.080
  424   3HB   ALA  61          2HB       ALA  61   4.386 -11.867 -12.806
  425    H    ASP  62           H        ASP  62   3.272 -12.911  -8.470
  426    HA   ASP  62           HA       ASP  62   4.832 -15.359  -8.743
  427   1HB   ASP  62          1HB       ASP  62   5.808 -13.349  -7.433
  428   2HB   ASP  62          2HB       ASP  62   4.559 -13.641  -6.239
  429    H    LYS  63           H        LYS  63   4.381 -16.724  -6.472
  430    HA   LYS  63           HA       LYS  63   1.518 -16.589  -5.892
  431   1HB   LYS  63          1HB       LYS  63   2.888 -18.680  -7.394
  432   2HB   LYS  63          2HB       LYS  63   2.115 -19.319  -5.957
  433   1HG   LYS  63          1HG       LYS  63   0.426 -17.354  -7.390
  434   2HG   LYS  63          2HG       LYS  63   0.839 -18.742  -8.377
  435   1HD   LYS  63          1HD       LYS  63  -0.019 -20.285  -6.650
  436   2HD   LYS  63          2HD       LYS  63  -0.317 -18.948  -5.557
  437   1HE   LYS  63          1HE       LYS  63  -2.262 -18.341  -6.617
  438   2HE   LYS  63          2HE       LYS  63  -1.592 -18.600  -8.216
  439   1HZ   LYS  63          1HZ       LYS  63  -2.028 -20.964  -6.626
  440   2HZ   LYS  63          2HZ       LYS  63  -3.371 -20.191  -7.143
  441   3HZ   LYS  63          3HZ       LYS  63  -2.267 -20.723  -8.223
  442    H    SER  64           H        SER  64   2.118 -15.584  -3.894
  443    HA   SER  64           HA       SER  64   2.522 -17.412  -1.853
  444   1HB   SER  64          1HB       SER  64   4.971 -16.343  -3.019
  445   2HB   SER  64          2HB       SER  64   4.823 -15.812  -1.355
  446    HG   SER  64           HG       SER  64   5.121 -18.440  -2.403
  447    H    VAL  65           H        VAL  65   2.705 -16.218   0.337
  448    HA   VAL  65           HA       VAL  65   1.118 -13.810   0.132
  449    HB   VAL  65           HB       VAL  65   0.402 -15.507   1.658
  450   1HG1  VAL  65          1HG1      VAL  65   3.236 -15.380   2.689
  451   2HG1  VAL  65          2HG1      VAL  65   1.909 -15.984   3.710
  452   3HG1  VAL  65          3HG1      VAL  65   2.288 -16.795   2.171
  453   1HG2  VAL  65          1HG2      VAL  65   0.652 -12.877   2.310
  454   2HG2  VAL  65          2HG2      VAL  65  -0.190 -14.083   3.312
  455   3HG2  VAL  65          3HG2      VAL  65   1.495 -13.640   3.680
  456    H    ASN  66           H        ASN  66   4.211 -14.209  -0.469
  457    HA   ASN  66           HA       ASN  66   5.118 -12.142   1.361
  458   1HB   ASN  66          1HB       ASN  66   6.753 -13.889  -0.553
  459   2HB   ASN  66          2HB       ASN  66   7.411 -12.807   0.659
  460   2HD2  ASN  66          2HD2      ASN  66   6.457 -13.167   2.922
  461   1HD2  ASN  66          1HD2      ASN  66   6.391 -14.804   3.483
  462    H    SER  67           H        SER  67   3.462 -12.192  -1.388
  463    HA   SER  67           HA       SER  67   5.194 -10.820  -3.163
  464   1HB   SER  67          1HB       SER  67   2.913 -10.404  -4.373
  465   2HB   SER  67          2HB       SER  67   3.527 -12.042  -4.273
  466    HG   SER  67           HG       SER  67   1.307 -12.017  -3.679
  467    H    TRP  68           H        TRP  68   5.417  -8.592  -3.468
  468    HA   TRP  68           HA       TRP  68   4.115  -6.930  -1.462
  469   1HB   TRP  68          1HB       TRP  68   6.400  -6.557  -1.464
  470   2HB   TRP  68          2HB       TRP  68   6.534  -6.660  -3.208
  471    HD1  TRP  68           HD1      TRP  68   6.747  -4.340  -4.392
  472    HE1  TRP  68           HE1      TRP  68   6.265  -1.800  -3.864
  473    HE3  TRP  68           HE3      TRP  68   4.541  -5.153   0.117
  474    HZ2  TRP  68           HZ2      TRP  68   5.042  -0.446  -1.670
  475    HZ3  TRP  68           HZ3      TRP  68   3.730  -3.167   1.388
  476    HH2  TRP  68           HH2      TRP  68   3.952  -0.877   0.563
  477    H    TYR  69           H        TYR  69   3.046  -8.221  -4.090
  478    HA   TYR  69           HA       TYR  69   1.923  -5.704  -5.230
  479   1HB   TYR  69          1HB       TYR  69   3.342  -6.684  -6.879
  480   2HB   TYR  69          2HB       TYR  69   2.722  -8.310  -6.549
  481    HD1  TYR  69           HD1      TYR  69   0.382  -8.908  -7.225
  482    HD2  TYR  69           HD2      TYR  69   2.245  -5.223  -8.407
  483    HE1  TYR  69           HE1      TYR  69  -1.311  -8.627  -9.016
  484    HE2  TYR  69           HE2      TYR  69   0.552  -4.941 -10.197
  485    HH   TYR  69           HH       TYR  69  -1.467  -7.365 -11.300
  486    H    LYS  70           H        LYS  70   1.257  -8.380  -3.280
  487    HA   LYS  70           HA       LYS  70  -1.477  -8.567  -4.324
  488   1HB   LYS  70          1HB       LYS  70  -0.070 -10.660  -4.136
  489   2HB   LYS  70          2HB       LYS  70  -0.091 -10.448  -2.397
  490   1HG   LYS  70          1HG       LYS  70  -2.792 -10.158  -3.105
  491   2HG   LYS  70          2HG       LYS  70  -2.228 -11.412  -4.192
  492   1HD   LYS  70          1HD       LYS  70  -1.742 -11.460  -1.178
  493   2HD   LYS  70          2HD       LYS  70  -3.108 -12.245  -1.945
  494   1HE   LYS  70          1HE       LYS  70  -0.186 -12.828  -2.629
  495   2HE   LYS  70          2HE       LYS  70  -1.152 -13.794  -1.532
  496   1HZ   LYS  70          1HZ       LYS  70  -2.464 -13.361  -4.004
  497   2HZ   LYS  70          2HZ       LYS  70  -1.020 -14.096  -4.210
  498   3HZ   LYS  70          3HZ       LYS  70  -2.145 -14.764  -3.233
  499    H    VAL  71           H        VAL  71   0.546  -7.947  -1.416
  500    HA   VAL  71           HA       VAL  71  -1.665  -7.548   0.302
  501    HB   VAL  71           HB       VAL  71   0.029  -6.589   1.803
  502   1HG1  VAL  71          1HG1      VAL  71  -0.196  -9.210   0.926
  503   2HG1  VAL  71          2HG1      VAL  71   1.556  -8.901   0.857
  504   3HG1  VAL  71          3HG1      VAL  71   0.668  -8.659   2.381
  505   1HG2  VAL  71          1HG2      VAL  71   1.593  -6.462  -0.717
  506   2HG2  VAL  71          2HG2      VAL  71   1.649  -5.422   0.727
  507   3HG2  VAL  71          3HG2      VAL  71   2.483  -6.995   0.729
  508    H    VAL  72           H        VAL  72  -0.650  -5.842  -2.410
  509    HA   VAL  72           HA       VAL  72  -1.484  -3.273  -1.273
  510    HB   VAL  72           HB       VAL  72   0.063  -4.030  -3.754
  511   1HG1  VAL  72          1HG1      VAL  72  -1.502  -1.621  -3.179
  512   2HG1  VAL  72          2HG1      VAL  72   0.208  -1.272  -3.526
  513   3HG1  VAL  72          3HG1      VAL  72  -0.772  -2.178  -4.704
  514   1HG2  VAL  72          1HG2      VAL  72   0.951  -3.715  -1.186
  515   2HG2  VAL  72          2HG2      VAL  72   1.938  -3.449  -2.643
  516   3HG2  VAL  72          3HG2      VAL  72   1.154  -2.070  -1.834
  517    H    HIS  73           H        HIS  73  -1.988  -5.517  -4.075
  518    HA   HIS  73           HA       HIS  73  -4.504  -4.121  -4.571
  519   1HB   HIS  73          2HB       HIS  73  -3.083  -6.122  -6.345
  520   2HB   HIS  73          1HB       HIS  73  -4.457  -5.120  -6.770
  521    HD1  HIS  73           HD1      HIS  73  -0.728  -4.944  -6.171
  522    HD2  HIS  73           HD2      HIS  73  -3.850  -2.466  -7.478
  523    HE1  HIS  73           HE1      HIS  73   0.374  -2.855  -7.138
  524    H    ASP  74           H        ASP  74  -4.097  -5.901  -2.260
  525    HA   ASP  74           HA       ASP  74  -5.292  -8.376  -2.978
  526   1HB   ASP  74          1HB       ASP  74  -4.002  -7.181  -0.663
  527   2HB   ASP  74          2HB       ASP  74  -5.528  -7.883  -0.160
  528    H    ALA  75           H        ALA  75  -7.449  -8.139  -3.702
  529    HA   ALA  75           HA       ALA  75  -9.183  -6.201  -2.502
  530   1HB   ALA  75          1HB       ALA  75  -9.161  -8.056  -4.802
  531   2HB   ALA  75          3HB       ALA  75 -10.759  -7.859  -4.043
  532   3HB   ALA  75          2HB       ALA  75  -9.879  -6.434  -4.647
  533    H    LYS  76           H        LYS  76  -8.303  -9.573  -1.998
  534    HA   LYS  76           HA       LYS  76 -10.711 -10.216  -0.587
  535   1HB   LYS  76          1HB       LYS  76  -9.156 -11.789  -1.923
  536   2HB   LYS  76          2HB       LYS  76  -8.123 -11.767  -0.507
  537   1HG   LYS  76          1HG       LYS  76 -10.321 -12.338   0.828
  538   2HG   LYS  76          2HG       LYS  76 -10.976 -12.782  -0.736
  539   1HD   LYS  76          1HD       LYS  76  -8.269 -13.882   0.009
  540   2HD   LYS  76          2HD       LYS  76  -9.671 -14.557   0.816
  541   1HE   LYS  76          1HE       LYS  76 -10.241 -14.317  -2.025
  542   2HE   LYS  76          2HE       LYS  76  -8.712 -15.147  -1.819
  543   1HZ   LYS  76          1HZ       LYS  76 -10.940 -15.935  -0.133
  544   2HZ   LYS  76          2HZ       LYS  76 -10.936 -16.425  -1.690
  545   3HZ   LYS  76          3HZ       LYS  76  -9.703 -16.837  -0.701
  546    H    GLY  77           H        GLY  77 -10.929 -10.542   1.693
  547   1HA   GLY  77          2HA       GLY  77 -10.696  -9.874   3.828
  548   2HA   GLY  77          1HA       GLY  77  -9.671  -8.569   3.266
  549    H    GLY  78           H        GLY  78  -9.408 -10.373   5.667
  550   1HA   GLY  78          2HA       GLY  78  -6.645 -11.232   5.134
  551   2HA   GLY  78          1HA       GLY  78  -7.779 -12.366   5.841
  552    H    ALA  79           H        ALA  79  -5.622 -11.887   7.377
  553    HA   ALA  79           HA       ALA  79  -6.558 -11.135   9.792
  554   1HB   ALA  79          1HB       ALA  79  -4.392 -11.425  10.479
  555   2HB   ALA  79          3HB       ALA  79  -3.730 -10.393   9.189
  556   3HB   ALA  79          2HB       ALA  79  -4.210 -12.069   8.830
  557    H    LYS  80           H        LYS  80  -5.624  -9.056   7.089
  558    HA   LYS  80           HA       LYS  80  -6.723  -6.802   8.474
  559   1HB   LYS  80          1HB       LYS  80  -4.459  -5.531   7.822
  560   2HB   LYS  80          2HB       LYS  80  -4.744  -6.226   9.405
  561   1HG   LYS  80          1HG       LYS  80  -3.594  -8.333   8.681
  562   2HG   LYS  80          2HG       LYS  80  -3.300  -7.627   7.104
  563   1HD   LYS  80          1HD       LYS  80  -2.211  -6.625   9.775
  564   2HD   LYS  80          2HD       LYS  80  -1.289  -7.382   8.491
  565   1HE   LYS  80          1HE       LYS  80  -1.961  -5.460   6.962
  566   2HE   LYS  80          2HE       LYS  80  -2.719  -4.686   8.339
  567   1HZ   LYS  80          1HZ       LYS  80   0.058  -5.550   8.525
  568   2HZ   LYS  80          2HZ       LYS  80  -0.304  -4.147   7.771
  569   3HZ   LYS  80          3HZ       LYS  80  -0.703  -4.357   9.341
  570    HA   PRO  81           HA       PRO  81  -7.711  -5.698   4.360
  571   1HB   PRO  81          1HB       PRO  81  -7.936  -2.971   4.564
  572   2HB   PRO  81          2HB       PRO  81  -9.057  -4.100   5.392
  573   1HG   PRO  81          2HG       PRO  81  -6.798  -2.704   6.294
  574   2HG   PRO  81          1HG       PRO  81  -8.285  -2.837   7.288
  575   1HD   PRO  81          1HD       PRO  81  -6.053  -4.334   7.809
  576   2HD   PRO  81          2HD       PRO  81  -7.693  -5.024   8.006
  577    H    THR  82           H        THR  82  -7.013  -3.785   2.616
  578    HA   THR  82           HA       THR  82  -4.098  -3.487   2.817
  579    HB   THR  82           HB       THR  82  -4.020  -4.175   0.371
  580    HG1  THR  82           HG1      THR  82  -6.719  -5.085   1.064
  581   1HG2  THR  82          1HG2      THR  82  -4.380  -5.900   2.641
  582   2HG2  THR  82          2HG2      THR  82  -5.372  -6.566   1.321
  583   3HG2  THR  82          3HG2      THR  82  -3.627  -6.310   1.081
  584    H    CYS  83           H        CYS  83  -3.747  -2.256   0.294
  585    HA   CYS  83           HA       CYS  83  -4.691   0.338   0.996
  586   1HB   CYS  83          1HB       CYS  83  -3.304  -0.342  -1.583
  587   2HB   CYS  83          2HB       CYS  83  -3.277   1.159  -0.679
  588    H    ILE  84           H        ILE  84  -6.131  -2.314  -0.448
  589    HA   ILE  84           HA       ILE  84  -7.722  -0.630  -2.253
  590    HB   ILE  84           HB       ILE  84  -6.806  -3.470  -2.388
  591   1HG1  ILE  84          1HG1      ILE  84  -5.663  -1.558  -3.579
  592   2HG1  ILE  84          2HG1      ILE  84  -6.146  -2.909  -4.585
  593   1HG2  ILE  84          1HG2      ILE  84  -9.401  -2.401  -3.494
  594   2HG2  ILE  84          2HG2      ILE  84  -8.542  -3.770  -4.240
  595   3HG2  ILE  84          3HG2      ILE  84  -9.108  -3.886  -2.557
  596   1HD1  ILE  84          1HD1      ILE  84  -8.308  -0.938  -4.366
  597   2HD1  ILE  84          2HD1      ILE  84  -6.810  -0.208  -4.992
  598   3HD1  ILE  84          3HD1      ILE  84  -7.533  -1.607  -5.822
  599    H    SER  85           H        SER  85  -7.786  -3.246   0.234
  600    HA   SER  85           HA       SER  85 -10.476  -3.588   0.365
  601   1HB   SER  85          2HB       SER  85  -8.910  -3.519   2.937
  602   2HB   SER  85          1HB       SER  85 -10.080  -4.702   2.384
  603    HG   SER  85           HG       SER  85  -8.438  -5.872   1.692
  604    H    CYS  86           H        CYS  86  -8.468  -1.387   2.468
  605    HA   CYS  86           HA       CYS  86 -10.649  -0.173   3.684
  606   1HB   CYS  86          1HB       CYS  86  -8.176  -0.147   4.383
  607   2HB   CYS  86          2HB       CYS  86  -7.973   1.171   3.245
  608    H    HIS  87           H        HIS  87  -8.482   0.980   0.988
  609    HA   HIS  87           HA       HIS  87  -9.760   3.295   0.398
  610   1HB   HIS  87          1HB       HIS  87  -8.232   1.305  -1.250
  611   2HB   HIS  87          2HB       HIS  87  -8.991   2.670  -2.044
  612    HD1  HIS  87           HD1      HIS  87  -6.749   3.808  -2.644
  613    HD2  HIS  87           HD2      HIS  87  -7.282   3.177   1.469
  614    HE1  HIS  87           HE1      HIS  87  -4.915   5.140  -1.473
  615    H    LYS  88           H        LYS  88 -10.769  -0.045  -0.310
  616    HA   LYS  88           HA       LYS  88 -12.751   0.647  -2.196
  617   1HB   LYS  88          1HB       LYS  88 -11.946  -1.771  -0.658
  618   2HB   LYS  88          2HB       LYS  88 -13.594  -1.732  -1.250
  619   1HG   LYS  88          1HG       LYS  88 -12.761  -1.239  -3.555
  620   2HG   LYS  88          2HG       LYS  88 -11.110  -1.257  -2.967
  621   1HD   LYS  88          1HD       LYS  88 -11.084  -3.484  -3.412
  622   2HD   LYS  88          2HD       LYS  88 -12.141  -3.692  -2.029
  623   1HE   LYS  88          1HE       LYS  88 -14.030  -3.007  -3.837
  624   2HE   LYS  88          2HE       LYS  88 -12.837  -3.626  -4.961
  625   1HZ   LYS  88          1HZ       LYS  88 -12.979  -5.407  -2.862
  626   2HZ   LYS  88          2HZ       LYS  88 -14.521  -5.062  -3.275
  627   3HZ   LYS  88          3HZ       LYS  88 -13.484  -5.636  -4.398
  628    H    ASP  89           H        ASP  89 -12.802   0.015   1.369
  629    HA   ASP  89           HA       ASP  89 -15.502   0.276   1.694
  630   1HB   ASP  89          1HB       ASP  89 -13.462  -0.273   3.350
  631   2HB   ASP  89          2HB       ASP  89 -13.608   1.427   3.749
  632    H    LYS  90           H        LYS  90 -12.851   2.707   1.512
  633    HA   LYS  90           HA       LYS  90 -14.293   4.925   2.384
  634   1HB   LYS  90          1HB       LYS  90 -11.752   4.388   0.982
  635   2HB   LYS  90          2HB       LYS  90 -12.456   5.953   0.628
  636   1HG   LYS  90          1HG       LYS  90 -12.072   4.884   3.463
  637   2HG   LYS  90          2HG       LYS  90 -10.902   5.905   2.651
  638   1HD   LYS  90          1HD       LYS  90 -12.346   7.785   2.635
  639   2HD   LYS  90          2HD       LYS  90 -13.790   6.806   2.808
  640   1HE   LYS  90          1HE       LYS  90 -11.674   7.271   4.964
  641   2HE   LYS  90          2HE       LYS  90 -13.277   7.979   4.928
  642   1HZ   LYS  90          1HZ       LYS  90 -13.875   5.424   4.731
  643   2HZ   LYS  90          2HZ       LYS  90 -12.492   5.294   5.590
  644   3HZ   LYS  90          3HZ       LYS  90 -13.729   6.191   6.166
  645    H    ALA  91           H        ALA  91 -13.925   3.406  -0.863
  646    HA   ALA  91           HA       ALA  91 -15.303   5.416  -2.255
  647   1HB   ALA  91          1HB       ALA  91 -14.077   2.848  -2.749
  648   2HB   ALA  91          3HB       ALA  91 -14.452   4.150  -3.904
  649   3HB   ALA  91          2HB       ALA  91 -15.671   2.905  -3.540
  650    H    GLY  92           H        GLY  92 -16.525   2.039  -1.794
  651   1HA   GLY  92          2HA       GLY  92 -18.920   2.892  -0.480
  652   2HA   GLY  92          1HA       GLY  92 -18.535   1.289  -1.074
  653    H    ASP  93           H        ASP  93 -20.680   3.796  -1.439
  654    HA   ASP  93           HA       ASP  93 -21.612   2.723  -3.887
  655   1HB   ASP  93          1HB       ASP  93 -23.042   5.094  -3.366
  656   2HB   ASP  93          2HB       ASP  93 -23.529   3.468  -2.933
  657    H    ASP  94           H        ASP  94 -20.032   5.735  -2.693
  658    HA   ASP  94           HA       ASP  94 -20.382   7.341  -4.852
  659   1HB   ASP  94          1HB       ASP  94 -19.258   7.878  -2.622
  660   2HB   ASP  94          2HB       ASP  94 -17.813   7.089  -3.220
  661    H    LYS  95           H        LYS  95 -20.052   6.561  -6.968
  662    HA   LYS  95           HA       LYS  95 -18.012   4.693  -7.573
  663   1HB   LYS  95          1HB       LYS  95 -19.993   6.299  -9.174
  664   2HB   LYS  95          2HB       LYS  95 -18.723   5.402  -9.982
  665   1HG   LYS  95          1HG       LYS  95 -19.452   3.307  -8.874
  666   2HG   LYS  95          2HG       LYS  95 -20.669   4.182  -7.967
  667   1HD   LYS  95          1HD       LYS  95 -21.956   4.668  -9.937
  668   2HD   LYS  95          2HD       LYS  95 -20.629   4.262 -11.007
  669   1HE   LYS  95          1HE       LYS  95 -21.974   2.227  -9.170
  670   2HE   LYS  95          2HE       LYS  95 -22.467   2.491 -10.830
  671   1HZ   LYS  95          1HZ       LYS  95 -19.652   2.047 -10.391
  672   2HZ   LYS  95          2HZ       LYS  95 -20.629   0.760 -10.157
  673   3HZ   LYS  95          3HZ       LYS  95 -20.614   1.521 -11.602
  674    H    GLU  96           H        GLU  96 -18.282   8.239  -7.550
  675    HA   GLU  96           HA       GLU  96 -16.056   8.705  -9.164
  676   1HB   GLU  96          1HB       GLU  96 -17.774  10.418  -8.688
  677   2HB   GLU  96          2HB       GLU  96 -17.328  10.430  -6.994
  678   1HG   GLU  96          1HG       GLU  96 -14.890  10.957  -7.951
  679   2HG   GLU  96          2HG       GLU  96 -15.777  11.478  -9.370
  680    H    LEU  97           H        LEU  97 -16.493   8.008  -5.693
  681    HA   LEU  97           HA       LEU  97 -13.812   8.741  -5.015
  682   1HB   LEU  97          1HB       LEU  97 -15.929   8.753  -3.553
  683   2HB   LEU  97          2HB       LEU  97 -15.671   7.028  -3.386
  684    HG   LEU  97           HG       LEU  97 -14.697   7.963  -1.478
  685   1HD1  LEU  97          1HD1      LEU  97 -13.252   6.342  -2.826
  686   2HD1  LEU  97          2HD1      LEU  97 -12.280   7.765  -3.273
  687   3HD1  LEU  97          3HD1      LEU  97 -12.447   7.303  -1.562
  688   1HD2  LEU  97          1HD2      LEU  97 -14.066  10.207  -3.259
  689   2HD2  LEU  97          2HD2      LEU  97 -14.413  10.180  -1.514
  690   3HD2  LEU  97          3HD2      LEU  97 -12.772   9.818  -2.101
  691    H    LYS  98           H        LYS  98 -15.491   5.910  -6.275
  692    HA   LYS  98           HA       LYS  98 -13.326   4.142  -5.550
  693   1HB   LYS  98          1HB       LYS  98 -15.731   3.449  -5.523
  694   2HB   LYS  98          2HB       LYS  98 -15.771   3.622  -7.266
  695   1HG   LYS  98          1HG       LYS  98 -13.494   2.062  -6.895
  696   2HG   LYS  98          2HG       LYS  98 -14.537   1.490  -5.609
  697   1HD   LYS  98          1HD       LYS  98 -15.564   1.792  -8.458
  698   2HD   LYS  98          2HD       LYS  98 -14.733   0.338  -7.940
  699   1HE   LYS  98          1HE       LYS  98 -17.190   1.483  -6.528
  700   2HE   LYS  98          2HE       LYS  98 -17.265   0.223  -7.745
  701   1HZ   LYS  98          1HZ       LYS  98 -15.494  -0.839  -6.165
  702   2HZ   LYS  98          2HZ       LYS  98 -16.242   0.086  -5.045
  703   3HZ   LYS  98          3HZ       LYS  98 -17.094  -1.019  -5.892
  704    H    LYS  99           H        LYS  99 -12.932   6.607  -7.301
  705    HA   LYS  99           HA       LYS  99 -11.591   5.156  -9.452
  706   1HB   LYS  99          1HB       LYS  99 -13.712   7.227  -9.745
  707   2HB   LYS  99          2HB       LYS  99 -12.327   7.362 -10.809
  708   1HG   LYS  99          1HG       LYS  99 -12.821   4.657 -10.980
  709   2HG   LYS  99          2HG       LYS  99 -14.445   5.260 -10.711
  710   1HD   LYS  99          1HD       LYS  99 -14.355   6.683 -12.659
  711   2HD   LYS  99          2HD       LYS  99 -12.619   6.494 -12.812
  712   1HE   LYS  99          1HE       LYS  99 -12.801   4.250 -13.601
  713   2HE   LYS  99          2HE       LYS  99 -14.428   4.061 -12.978
  714   1HZ   LYS  99          1HZ       LYS  99 -15.038   5.857 -14.602
  715   2HZ   LYS  99          2HZ       LYS  99 -13.575   5.634 -15.293
  716   3HZ   LYS  99          3HZ       LYS  99 -14.651   4.406 -15.246
  717    H    LYS 100           H        LYS 100 -10.434   5.926  -7.026
  718    HA   LYS 100           HA       LYS 100  -8.411   7.671  -8.001
  719   1HB   LYS 100          1HB       LYS 100  -8.850   9.185  -5.833
  720   2HB   LYS 100          2HB       LYS 100  -9.475   9.580  -7.421
  721   1HG   LYS 100          1HG       LYS 100 -11.615   8.375  -6.851
  722   2HG   LYS 100          2HG       LYS 100 -10.988   8.056  -5.246
  723   1HD   LYS 100          2HD       LYS 100 -12.296  10.012  -4.949
  724   2HD   LYS 100          1HD       LYS 100 -10.658  10.627  -5.037
  725   1HE   LYS 100          1HE       LYS 100 -10.979  11.127  -7.473
  726   2HE   LYS 100          2HE       LYS 100 -12.620  10.519  -7.379
  727   1HZ   LYS 100          1HZ       LYS 100 -12.764  12.237  -5.465
  728   2HZ   LYS 100          2HZ       LYS 100 -11.513  12.945  -6.240
  729   3HZ   LYS 100          3HZ       LYS 100 -12.932  12.718  -7.016
  730    H    LEU 101           H        LEU 101  -9.984   6.242  -5.065
  731    HA   LEU 101           HA       LEU 101  -7.389   5.754  -3.908
  732   1HB   LEU 101          1HB       LEU 101 -10.088   4.860  -2.904
  733   2HB   LEU 101          2HB       LEU 101  -8.593   4.989  -1.998
  734    HG   LEU 101           HG       LEU 101 -10.396   7.193  -2.982
  735   1HD1  LEU 101          1HD1      LEU 101 -10.714   6.049  -0.740
  736   2HD1  LEU 101          2HD1      LEU 101  -9.173   6.793  -0.248
  737   3HD1  LEU 101          3HD1      LEU 101 -10.551   7.821  -0.711
  738   1HD2  LEU 101          1HD2      LEU 101  -7.515   7.484  -2.096
  739   2HD2  LEU 101          2HD2      LEU 101  -8.211   7.913  -3.677
  740   3HD2  LEU 101          3HD2      LEU 101  -8.679   8.824  -2.221
  741    H    THR 102           H        THR 102  -9.820   4.097  -5.860
  742    HA   THR 102           HA       THR 102  -8.177   1.657  -5.662
  743    HB   THR 102           HB       THR 102 -10.234   0.370  -5.820
  744    HG1  THR 102           HG1      THR 102 -11.606   1.506  -7.171
  745   1HG2  THR 102          1HG2      THR 102  -9.862   1.440  -3.533
  746   2HG2  THR 102          2HG2      THR 102 -10.908   2.782  -4.057
  747   3HG2  THR 102          3HG2      THR 102 -11.574   1.137  -3.912
  748    H    GLY 103           H        GLY 103  -8.911   4.294  -7.551
  749   1HA   GLY 103          2HA       GLY 103  -8.498   4.729  -9.720
  750   2HA   GLY 103          1HA       GLY 103  -9.573   3.384 -10.046
  751    H    CYS 104           H        CYS 104  -8.649   2.074 -11.564
  752    HA   CYS 104           HA       CYS 104  -6.159   0.837 -10.935
  753   1HB   CYS 104          1HB       CYS 104  -8.337   0.455 -12.884
  754   2HB   CYS 104          2HB       CYS 104  -6.744   0.039 -13.483
  755    H    LYS 105           H        LYS 105  -7.466   3.040 -13.514
  756    HA   LYS 105           HA       LYS 105  -4.688   3.838 -14.039
  757   1HB   LYS 105          1HB       LYS 105  -5.360   2.584 -15.935
  758   2HB   LYS 105          2HB       LYS 105  -6.951   3.318 -15.971
  759   1HG   LYS 105          1HG       LYS 105  -5.508   5.582 -16.221
  760   2HG   LYS 105          2HG       LYS 105  -4.305   4.471 -16.844
  761   1HD   LYS 105          1HD       LYS 105  -7.060   4.067 -17.920
  762   2HD   LYS 105          2HD       LYS 105  -6.316   5.592 -18.359
  763   1HE   LYS 105          1HE       LYS 105  -4.286   4.338 -19.177
  764   2HE   LYS 105          2HE       LYS 105  -5.085   2.826 -18.790
  765   1HZ   LYS 105          1HZ       LYS 105  -6.886   3.555 -20.295
  766   2HZ   LYS 105          2HZ       LYS 105  -5.964   4.823 -20.753
  767   3HZ   LYS 105          3HZ       LYS 105  -5.460   3.297 -21.048
  768    H    GLY 106           H        GLY 106  -4.251   5.962 -13.716
  769   1HA   GLY 106          2HA       GLY 106  -6.238   7.986 -14.147
  770   2HA   GLY 106          1HA       GLY 106  -4.597   8.197 -13.569
  771    H    SER 107           H        SER 107  -4.576   6.502 -11.285
  772    HA   SER 107           HA       SER 107  -6.698   7.688  -9.676
  773   1HB   SER 107          2HB       SER 107  -6.569   5.810  -8.215
  774   2HB   SER 107          1HB       SER 107  -6.501   5.135  -9.830
  775    HG   SER 107           HG       SER 107  -4.800   4.124  -8.911
  776    H    ALA 108           H        ALA 108  -5.851   7.819  -7.189
  777    HA   ALA 108           HA       ALA 108  -3.787   9.747  -7.232
  778   1HB   ALA 108          1HB       ALA 108  -4.619  10.224  -5.186
  779   2HB   ALA 108          3HB       ALA 108  -5.875   9.017  -5.552
  780   3HB   ALA 108          2HB       ALA 108  -4.431   8.545  -4.626
  781    H    CYS 109           H        CYS 109  -3.727   6.352  -7.424
  782    HA   CYS 109           HA       CYS 109  -1.170   6.203  -6.029
  783   1HB   CYS 109          1HB       CYS 109  -3.071   4.040  -6.982
  784   2HB   CYS 109          2HB       CYS 109  -1.472   3.710  -6.343
  785    H    HIS 110           H        HIS 110  -2.861   5.539  -9.161
  786    HA   HIS 110           HA       HIS 110  -0.214   5.510 -10.422
  787   1HB   HIS 110          2HB       HIS 110  -2.733   4.068 -11.300
  788   2HB   HIS 110          1HB       HIS 110  -1.214   4.084 -12.173
  789    HD1  HIS 110           HD1      HIS 110   0.857   3.451 -10.066
  790    HD2  HIS 110           HD2      HIS 110  -2.905   1.597 -10.166
  791    HE1  HIS 110           HE1      HIS 110   1.109   1.253  -8.795
  792    HA   PRO 111           HA       PRO 111  -2.330   9.133 -12.149
  793   1HB   PRO 111          1HB       PRO 111  -0.525  11.023 -11.484
  794   2HB   PRO 111          2HB       PRO 111  -1.583  10.295 -10.232
  795   1HG   PRO 111          2HG       PRO 111   1.513   9.516 -10.491
  796   2HG   PRO 111          1HG       PRO 111   0.151   9.833  -9.368
  797   1HD   PRO 111          1HD       PRO 111   0.976   7.311 -10.732
  798   2HD   PRO 111          2HD       PRO 111  -0.151   7.533  -9.359
  799    H    SER 112           H        SER 112  -1.635   7.600 -14.104
  800    HA   SER 112           HA       SER 112   0.515   9.031 -15.449
  801   1HB   SER 112          1HB       SER 112   0.311   6.158 -14.850
  802   2HB   SER 112          2HB       SER 112   0.501   6.450 -16.568
  803    HG   SER 112           HG       SER 112   2.190   7.905 -14.785

  No H/Q in entry =         803
  Start of MODEL    5
    1    H1   VAL   1           H1       VAL   1   8.280   8.713  17.123
    2    H2   VAL   1           H2       VAL   1   9.083   7.345  17.600
    3    H3   VAL   1           H3       VAL   1   9.670   8.837  18.015
    4    HA   VAL   1           HA       VAL   1  11.003   8.580  16.344
    5    HB   VAL   1           HB       VAL   1  10.528   6.278  16.054
    6   1HG1  VAL   1          1HG1      VAL   1   7.926   7.155  14.766
    7   2HG1  VAL   1          2HG1      VAL   1   8.561   5.494  14.699
    8   3HG1  VAL   1          3HG1      VAL   1   8.137   6.222  16.267
    9   1HG2  VAL   1          1HG2      VAL   1  11.420   7.793  14.052
   10   2HG2  VAL   1          2HG2      VAL   1  11.160   6.042  13.865
   11   3HG2  VAL   1          3HG2      VAL   1   9.939   7.192  13.269
   12    H    ASP   2           H        ASP   2   7.813   9.731  16.386
   13    HA   ASP   2           HA       ASP   2   6.779  11.324  15.342
   14   1HB   ASP   2          1HB       ASP   2   9.486  11.954  14.073
   15   2HB   ASP   2          2HB       ASP   2   8.100  13.026  14.057
   16    H    VAL   3           H        VAL   3   5.343  10.855  13.670
   17    HA   VAL   3           HA       VAL   3   5.868   9.019  11.683
   18    HB   VAL   3           HB       VAL   3   3.688  10.193  12.658
   19   1HG1  VAL   3          1HG1      VAL   3   4.127  12.371  11.613
   20   2HG1  VAL   3          2HG1      VAL   3   4.118  11.609  10.005
   21   3HG1  VAL   3          3HG1      VAL   3   2.630  11.644  10.981
   22   1HG2  VAL   3          1HG2      VAL   3   4.055   8.905   9.941
   23   2HG2  VAL   3          2HG2      VAL   3   3.552   8.142  11.469
   24   3HG2  VAL   3          3HG2      VAL   3   2.455   9.267  10.633
   25    HA   PRO   4           HA       PRO   4   8.817  10.941   9.048
   26   1HB   PRO   4          2HB       PRO   4   7.220   9.325   7.032
   27   2HB   PRO   4          1HB       PRO   4   8.991   9.449   7.289
   28   1HG   PRO   4          1HG       PRO   4   7.810   7.248   8.393
   29   2HG   PRO   4          2HG       PRO   4   9.138   8.212   9.119
   30   1HD   PRO   4          1HD       PRO   4   6.157   8.173   9.745
   31   2HD   PRO   4          2HD       PRO   4   7.545   8.342  10.862
   32    H    ALA   5           H        ALA   5   8.768  12.392   7.057
   33    HA   ALA   5           HA       ALA   5   6.346  13.974   7.152
   34   1HB   ALA   5          1HB       ALA   5   8.569  15.039   7.298
   35   2HB   ALA   5          3HB       ALA   5   8.995  14.372   5.703
   36   3HB   ALA   5          2HB       ALA   5   7.693  15.577   5.845
   37    H    ASP   6           H        ASP   6   5.119  14.551   5.239
   38    HA   ASP   6           HA       ASP   6   4.492  12.397   3.679
   39   1HB   ASP   6          1HB       ASP   6   2.989  13.839   2.593
   40   2HB   ASP   6          2HB       ASP   6   3.246  14.663   4.118
   41    H    GLY   7           H        GLY   7   4.391  13.326   0.971
   42   1HA   GLY   7          2HA       GLY   7   6.877  14.324   0.036
   43   2HA   GLY   7          1HA       GLY   7   5.601  13.586  -0.911
   44    H    ALA   8           H        ALA   8   5.594  11.078   0.794
   45    HA   ALA   8           HA       ALA   8   8.243   9.998   0.366
   46   1HB   ALA   8          1HB       ALA   8   6.674   9.591   2.387
   47   2HB   ALA   8          3HB       ALA   8   5.781   8.501   1.299
   48   3HB   ALA   8          2HB       ALA   8   7.491   8.180   1.674
   49    H    LYS   9           H        LYS   9   8.836   8.589  -1.264
   50    HA   LYS   9           HA       LYS   9   6.711   7.949  -3.191
   51   1HB   LYS   9          1HB       LYS   9   9.600   8.715  -3.685
   52   2HB   LYS   9          2HB       LYS   9   8.555   8.024  -4.910
   53   1HG   LYS   9          1HG       LYS   9   7.126   9.912  -4.954
   54   2HG   LYS   9          2HG       LYS   9   7.598  10.437  -3.351
   55   1HD   LYS   9          1HD       LYS   9   9.967  10.827  -4.347
   56   2HD   LYS   9          2HD       LYS   9   9.220  10.633  -5.921
   57   1HE   LYS   9          1HE       LYS   9   9.190  12.991  -5.506
   58   2HE   LYS   9          2HE       LYS   9   7.543  12.461  -5.226
   59   1HZ   LYS   9          1HZ       LYS   9   8.204  12.260  -2.842
   60   2HZ   LYS   9          2HZ       LYS   9   9.585  13.050  -3.209
   61   3HZ   LYS   9          3HZ       LYS   9   8.143  13.786  -3.421
   62    H    ILE  10           H        ILE  10   6.503   5.826  -3.831
   63    HA   ILE  10           HA       ILE  10   8.437   3.979  -2.615
   64    HB   ILE  10           HB       ILE  10   5.514   3.501  -3.203
   65   1HG1  ILE  10          1HG1      ILE  10   6.575   3.657  -0.416
   66   2HG1  ILE  10          2HG1      ILE  10   6.338   5.165  -1.276
   67   1HG2  ILE  10          1HG2      ILE  10   7.203   1.553  -3.229
   68   2HG2  ILE  10          2HG2      ILE  10   7.300   1.805  -1.470
   69   3HG2  ILE  10          3HG2      ILE  10   5.741   1.398  -2.226
   70   1HD1  ILE  10          1HD1      ILE  10   3.978   4.382  -1.845
   71   2HD1  ILE  10          2HD1      ILE  10   4.250   3.008  -0.746
   72   3HD1  ILE  10          3HD1      ILE  10   4.274   4.672  -0.114
   73    H    ASP  11           H        ASP  11   9.631   2.767  -3.990
   74    HA   ASP  11           HA       ASP  11   8.498   1.999  -6.490
   75   1HB   ASP  11          1HB       ASP  11   9.339   4.081  -7.289
   76   2HB   ASP  11          2HB       ASP  11  10.763   4.003  -6.271
   77    H    PHE  12           H        PHE  12   8.900  -0.161  -5.671
   78    HA   PHE  12           HA       PHE  12  11.742  -0.790  -5.278
   79   1HB   PHE  12          1HB       PHE  12   9.170  -2.167  -4.293
   80   2HB   PHE  12          2HB       PHE  12  10.794  -2.686  -3.886
   81    HD1  PHE  12           HD1      PHE  12  12.044  -0.012  -3.349
   82    HD2  PHE  12           HD2      PHE  12   8.289  -1.617  -2.195
   83    HE1  PHE  12           HE1      PHE  12  12.020   1.489  -1.337
   84    HE2  PHE  12           HE2      PHE  12   8.265  -0.116  -0.184
   85    HZ   PHE  12           HZ       PHE  12  10.131   1.419   0.221
   86    H    ILE  13           H        ILE  13   8.763  -1.428  -7.057
   87    HA   ILE  13           HA       ILE  13   9.970  -3.795  -8.273
   88    HB   ILE  13           HB       ILE  13   7.166  -2.680  -8.365
   89   1HG1  ILE  13          1HG1      ILE  13   8.070  -5.277  -7.119
   90   2HG1  ILE  13          2HG1      ILE  13   8.081  -3.774  -6.217
   91   1HG2  ILE  13          1HG2      ILE  13   8.495  -4.890  -9.882
   92   2HG2  ILE  13          2HG2      ILE  13   6.804  -5.091  -9.364
   93   3HG2  ILE  13          3HG2      ILE  13   7.259  -3.721 -10.404
   94   1HD1  ILE  13          1HD1      ILE  13   5.646  -4.970  -7.619
   95   2HD1  ILE  13          2HD1      ILE  13   5.957  -5.000  -5.867
   96   3HD1  ILE  13          3HD1      ILE  13   5.659  -3.451  -6.692
   97    H    ALA  14           H        ALA  14  11.613  -2.721  -9.497
   98    HA   ALA  14           HA       ALA  14  11.013  -0.559 -11.202
   99   1HB   ALA  14          1HB       ALA  14  13.278  -2.175 -10.415
  100   2HB   ALA  14          2HB       ALA  14  13.256  -1.997 -12.186
  101   3HB   ALA  14          3HB       ALA  14  13.258  -0.552 -11.146
  102    H    GLY  15           H        GLY  15  11.655  -0.924 -13.716
  103   1HA   GLY  15          2HA       GLY  15   9.708  -1.750 -15.189
  104   2HA   GLY  15          1HA       GLY  15  10.281  -3.333 -14.703
  105    H    GLY  16           H        GLY  16  11.709  -0.190 -15.866
  106   1HA   GLY  16          2HA       GLY  16  13.071  -1.660 -17.999
  107   2HA   GLY  16          1HA       GLY  16  14.067  -0.805 -16.838
  108    H    GLU  17           H        GLU  17  11.404  -0.407 -19.233
  109    HA   GLU  17           HA       GLU  17  12.524   1.892 -20.277
  110   1HB   GLU  17          1HB       GLU  17  10.825   0.263 -21.333
  111   2HB   GLU  17          2HB       GLU  17   9.582   1.140 -20.463
  112   1HG   GLU  17          1HG       GLU  17  10.656   3.287 -21.553
  113   2HG   GLU  17          2HG       GLU  17  11.416   2.159 -22.658
  114    H    LYS  18           H        LYS  18  10.413   1.354 -17.511
  115    HA   LYS  18           HA       LYS  18  10.652   4.109 -16.787
  116   1HB   LYS  18          1HB       LYS  18   8.348   3.331 -18.278
  117   2HB   LYS  18          2HB       LYS  18   7.835   3.602 -16.625
  118   1HG   LYS  18          1HG       LYS  18   8.991   5.829 -16.639
  119   2HG   LYS  18          2HG       LYS  18   9.479   5.559 -18.300
  120   1HD   LYS  18          1HD       LYS  18   6.782   5.096 -18.518
  121   2HD   LYS  18          2HD       LYS  18   6.785   6.253 -17.201
  122   1HE   LYS  18          1HE       LYS  18   8.440   6.821 -19.677
  123   2HE   LYS  18          2HE       LYS  18   6.711   7.101 -19.719
  124   1HZ   LYS  18          1HZ       LYS  18   6.977   8.487 -17.748
  125   2HZ   LYS  18          2HZ       LYS  18   8.596   8.272 -17.793
  126   3HZ   LYS  18          3HZ       LYS  18   7.841   9.057 -19.011
  127    H    ASN  19           H        ASN  19   8.510   4.040 -14.831
  128    HA   ASN  19           HA       ASN  19   8.613   1.666 -13.378
  129   1HB   ASN  19          1HB       ASN  19   9.949   2.594 -11.399
  130   2HB   ASN  19          2HB       ASN  19  10.912   2.214 -12.813
  131   2HD2  ASN  19          2HD2      ASN  19  12.146   3.795 -11.232
  132   1HD2  ASN  19          1HD2      ASN  19  12.137   5.459 -11.712
  133    H    LEU  20           H        LEU  20   6.704   1.783 -12.175
  134    HA   LEU  20           HA       LEU  20   5.358   4.293 -11.979
  135   1HB   LEU  20          1HB       LEU  20   4.708   1.499 -11.048
  136   2HB   LEU  20          2HB       LEU  20   3.654   2.872 -10.770
  137    HG   LEU  20           HG       LEU  20   4.415   1.605 -13.402
  138   1HD1  LEU  20          1HD1      LEU  20   2.439   0.888 -11.795
  139   2HD1  LEU  20          2HD1      LEU  20   1.620   2.263 -12.576
  140   3HD1  LEU  20          3HD1      LEU  20   2.242   0.919 -13.564
  141   1HD2  LEU  20          1HD2      LEU  20   3.485   4.385 -12.866
  142   2HD2  LEU  20          2HD2      LEU  20   4.531   3.748 -14.157
  143   3HD2  LEU  20          3HD2      LEU  20   2.769   3.518 -14.245
  144    H    THR  21           H        THR  21   5.208   5.675 -10.257
  145    HA   THR  21           HA       THR  21   6.486   4.772  -7.761
  146    HB   THR  21           HB       THR  21   6.589   7.659  -8.639
  147    HG1  THR  21           HG1      THR  21   7.169   6.055 -10.442
  148   1HG2  THR  21          1HG2      THR  21   7.816   6.058  -6.623
  149   2HG2  THR  21          2HG2      THR  21   9.084   6.362  -7.835
  150   3HG2  THR  21          3HG2      THR  21   8.244   7.729  -7.063
  151    H    VAL  22           H        VAL  22   5.028   4.573  -6.191
  152    HA   VAL  22           HA       VAL  22   2.632   6.231  -6.370
  153    HB   VAL  22           HB       VAL  22   3.326   3.771  -4.756
  154   1HG1  VAL  22          1HG1      VAL  22   0.849   5.509  -4.763
  155   2HG1  VAL  22          2HG1      VAL  22   0.820   3.807  -4.242
  156   3HG1  VAL  22          3HG1      VAL  22   1.837   4.984  -3.378
  157   1HG2  VAL  22          1HG2      VAL  22   2.089   4.233  -7.385
  158   2HG2  VAL  22          2HG2      VAL  22   2.818   2.761  -6.700
  159   3HG2  VAL  22          3HG2      VAL  22   1.133   3.182  -6.312
  160    H    VAL  23           H        VAL  23   2.315   7.957  -5.049
  161    HA   VAL  23           HA       VAL  23   4.378   8.461  -3.061
  162    HB   VAL  23           HB       VAL  23   2.157  10.210  -4.137
  163   1HG1  VAL  23          1HG1      VAL  23   3.844  10.519  -1.863
  164   2HG1  VAL  23          2HG1      VAL  23   4.389  11.676  -3.100
  165   3HG1  VAL  23          3HG1      VAL  23   2.694  11.687  -2.558
  166   1HG2  VAL  23          1HG2      VAL  23   3.798   9.533  -5.869
  167   2HG2  VAL  23          2HG2      VAL  23   3.859  11.276  -5.510
  168   3HG2  VAL  23          3HG2      VAL  23   5.108  10.188  -4.857
  169    H    PHE  24           H        PHE  24   3.985   8.628  -0.849
  170    HA   PHE  24           HA       PHE  24   1.225   8.098  -0.020
  171   1HB   PHE  24          1HB       PHE  24   2.810   6.057  -0.001
  172   2HB   PHE  24          2HB       PHE  24   3.832   6.928   1.125
  173    HD1  PHE  24           HD1      PHE  24   0.232   5.973   0.786
  174    HD2  PHE  24           HD2      PHE  24   3.578   6.431   3.356
  175    HE1  PHE  24           HE1      PHE  24  -1.118   5.076   2.703
  176    HE2  PHE  24           HE2      PHE  24   2.228   5.535   5.273
  177    HZ   PHE  24           HZ       PHE  24  -0.104   4.868   4.924
  178    H    ASN  25           H        ASN  25   0.595   9.050   1.976
  179    HA   ASN  25           HA       ASN  25   2.616  10.815   3.110
  180   1HB   ASN  25          2HB       ASN  25  -0.077  11.872   3.480
  181   2HB   ASN  25          1HB       ASN  25   1.299  12.644   2.718
  182   2HD2  ASN  25          2HD2      ASN  25   1.871  11.688   0.504
  183   1HD2  ASN  25          1HD2      ASN  25   0.560  11.458  -0.604
  184    H    HIS  26           H        HIS  26   2.834  10.452   5.330
  185    HA   HIS  26           HA       HIS  26   1.093   8.581   6.577
  186   1HB   HIS  26          1HB       HIS  26   3.611  10.012   7.247
  187   2HB   HIS  26          2HB       HIS  26   2.621   9.514   8.604
  188    HD1  HIS  26           HD1      HIS  26   4.557   8.087   5.672
  189    HD2  HIS  26           HD2      HIS  26   2.608   6.771   9.146
  190    HE1  HIS  26           HE1      HIS  26   5.190   5.632   5.961
  191    H    SER  27           H        SER  27   1.105  12.013   6.099
  192    HA   SER  27           HA       SER  27  -0.419  12.507   8.482
  193   1HB   SER  27          1HB       SER  27  -0.449  14.872   7.632
  194   2HB   SER  27          2HB       SER  27   1.167  14.219   7.817
  195    HG   SER  27           HG       SER  27  -0.296  14.268   5.316
  196    H    THR  28           H        THR  28  -1.276  10.762   6.019
  197    HA   THR  28           HA       THR  28  -3.799  12.188   5.484
  198    HB   THR  28           HB       THR  28  -2.149  10.219   3.820
  199    HG1  THR  28           HG1      THR  28  -1.800  12.691   4.063
  200   1HG2  THR  28          1HG2      THR  28  -4.918  10.320   3.770
  201   2HG2  THR  28          2HG2      THR  28  -4.498  11.620   2.629
  202   3HG2  THR  28          3HG2      THR  28  -3.910   9.964   2.348
  203    H    HIS  29           H        HIS  29  -2.230   9.183   6.567
  204    HA   HIS  29           HA       HIS  29  -4.892   8.063   6.999
  205   1HB   HIS  29          2HB       HIS  29  -2.179   6.712   7.039
  206   2HB   HIS  29          1HB       HIS  29  -3.721   5.914   7.276
  207    HD1  HIS  29           HD1      HIS  29  -1.630   7.588   4.599
  208    HD2  HIS  29           HD2      HIS  29  -5.168   5.359   4.938
  209    HE1  HIS  29           HE1      HIS  29  -2.310   6.959   2.221
  210    H    LYS  30           H        LYS  30  -3.513  10.267   8.582
  211    HA   LYS  30           HA       LYS  30  -2.523   9.274  10.970
  212   1HB   LYS  30          1HB       LYS  30  -2.914  11.484  11.844
  213   2HB   LYS  30          2HB       LYS  30  -2.341  11.614  10.193
  214   1HG   LYS  30          1HG       LYS  30  -4.823  11.738   9.480
  215   2HG   LYS  30          2HG       LYS  30  -5.209  11.922  11.180
  216   1HD   LYS  30          1HD       LYS  30  -3.465  13.873  11.169
  217   2HD   LYS  30          2HD       LYS  30  -3.574  13.790   9.422
  218   1HE   LYS  30          1HE       LYS  30  -6.029  14.168   9.532
  219   2HE   LYS  30          2HE       LYS  30  -5.968  14.176  11.283
  220   1HZ   LYS  30          1HZ       LYS  30  -4.338  16.031   9.718
  221   2HZ   LYS  30          2HZ       LYS  30  -5.889  16.379  10.091
  222   3HZ   LYS  30          3HZ       LYS  30  -4.794  16.152  11.281
  223    H    ASP  31           H        ASP  31  -5.710   9.111   9.617
  224    HA   ASP  31           HA       ASP  31  -6.971   8.916  12.179
  225   1HB   ASP  31          2HB       ASP  31  -9.008   8.839  10.983
  226   2HB   ASP  31          1HB       ASP  31  -7.994   9.856   9.979
  227    H    VAL  32           H        VAL  32  -4.944   6.950  10.433
  228    HA   VAL  32           HA       VAL  32  -6.388   4.508  11.206
  229    HB   VAL  32           HB       VAL  32  -4.352   4.838   8.997
  230   1HG1  VAL  32          1HG1      VAL  32  -4.955   2.557  10.282
  231   2HG1  VAL  32          2HG1      VAL  32  -6.276   2.565   9.089
  232   3HG1  VAL  32          3HG1      VAL  32  -4.583   2.618   8.542
  233   1HG2  VAL  32          1HG2      VAL  32  -7.142   5.561   9.043
  234   2HG2  VAL  32          2HG2      VAL  32  -5.960   5.707   7.721
  235   3HG2  VAL  32          3HG2      VAL  32  -6.890   4.203   7.921
  236    H    LYS  33           H        LYS  33  -5.417   3.232  12.714
  237    HA   LYS  33           HA       LYS  33  -3.282   4.125  14.184
  238   1HB   LYS  33          2HB       LYS  33  -4.205   1.259  13.823
  239   2HB   LYS  33          1HB       LYS  33  -3.242   1.875  15.151
  240   1HG   LYS  33          1HG       LYS  33  -5.394   3.641  15.136
  241   2HG   LYS  33          2HG       LYS  33  -6.157   2.140  14.652
  242   1HD   LYS  33          1HD       LYS  33  -4.233   1.969  16.949
  243   2HD   LYS  33          2HD       LYS  33  -5.731   2.825  17.257
  244   1HE   LYS  33          1HE       LYS  33  -6.240   0.342  15.779
  245   2HE   LYS  33          2HE       LYS  33  -5.346   0.016  17.251
  246   1HZ   LYS  33          1HZ       LYS  33  -7.652   1.797  17.333
  247   2HZ   LYS  33          2HZ       LYS  33  -7.877   0.180  17.336
  248   3HZ   LYS  33          3HZ       LYS  33  -7.016   0.887  18.530
  249    H    CYS  34           H        CYS  34  -1.075   3.164  14.433
  250    HA   CYS  34           HA       CYS  34   0.199   3.170  11.903
  251   1HB   CYS  34          1HB       CYS  34   1.466   2.413  14.533
  252   2HB   CYS  34          2HB       CYS  34   2.244   3.061  13.102
  253    H    ASP  35           H        ASP  35  -0.662   0.740  14.424
  254    HA   ASP  35           HA       ASP  35   0.738  -1.362  13.260
  255   1HB   ASP  35          1HB       ASP  35  -0.818  -2.795  14.656
  256   2HB   ASP  35          2HB       ASP  35   0.004  -1.536  15.556
  257    H    ASP  36           H        ASP  36  -1.961   0.423  12.191
  258    HA   ASP  36           HA       ASP  36  -3.625  -1.572  11.227
  259   1HB   ASP  36          1HB       ASP  36  -3.904   1.056  11.428
  260   2HB   ASP  36          2HB       ASP  36  -3.227   1.082   9.812
  261    H    CYS  37           H        CYS  37  -0.474  -0.442  10.275
  262    HA   CYS  37           HA       CYS  37  -0.720  -1.934   7.772
  263   1HB   CYS  37          1HB       CYS  37   0.661   0.741   8.147
  264   2HB   CYS  37          2HB       CYS  37   0.901  -0.292   6.752
  265    H    HIS  38           H        HIS  38   1.442  -0.454  10.285
  266    HA   HIS  38           HA       HIS  38   3.581  -2.221   9.637
  267   1HB   HIS  38          1HB       HIS  38   3.168  -0.346  11.983
  268   2HB   HIS  38          2HB       HIS  38   4.658  -1.196  11.625
  269    HD1  HIS  38           HD1      HIS  38   5.765  -0.574   9.179
  270    HD2  HIS  38           HD2      HIS  38   2.921   2.089  10.734
  271    HE1  HIS  38           HE1      HIS  38   6.074   1.621   7.915
  272    H    HIS  39           H        HIS  39   2.735  -4.350   9.821
  273    HA   HIS  39           HA       HIS  39   1.815  -5.075  12.493
  274   1HB   HIS  39          2HB       HIS  39   0.693  -6.881  11.543
  275   2HB   HIS  39          1HB       HIS  39   0.453  -5.580  10.393
  276    HD1  HIS  39           HD1      HIS  39   1.558  -9.039  10.602
  277    HD2  HIS  39           HD2      HIS  39   2.362  -5.775   8.094
  278    HE1  HIS  39           HE1      HIS  39   2.586 -10.007   8.477
  279    H    GLN  40           H        GLN  40   4.262  -4.640  12.998
  280    HA   GLN  40           HA       GLN  40   5.519  -7.244  12.845
  281   1HB   GLN  40          1HB       GLN  40   6.811  -4.619  12.009
  282   2HB   GLN  40          2HB       GLN  40   7.758  -6.025  12.449
  283   1HG   GLN  40          1HG       GLN  40   5.687  -5.889  10.208
  284   2HG   GLN  40          2HG       GLN  40   7.426  -5.937   9.999
  285   2HE2  GLN  40          2HE2      GLN  40   4.877  -7.729   9.556
  286   1HE2  GLN  40          1HE2      GLN  40   5.426  -9.320   9.966
  287    HA   PRO  41           HA       PRO  41   6.507  -7.244  17.084
  288   1HB   PRO  41          2HB       PRO  41   9.384  -6.691  16.328
  289   2HB   PRO  41          1HB       PRO  41   8.672  -7.974  17.360
  290   1HG   PRO  41          1HG       PRO  41   9.354  -7.811  14.717
  291   2HG   PRO  41          2HG       PRO  41   8.725  -9.435  15.143
  292   1HD   PRO  41          1HD       PRO  41   7.432  -7.854  13.349
  293   2HD   PRO  41          2HD       PRO  41   6.500  -8.800  14.548
  294    H    GLY  42           H        GLY  42   6.534  -5.629  18.710
  295   1HA   GLY  42          2HA       GLY  42   6.712  -3.580  19.620
  296   2HA   GLY  42          1HA       GLY  42   6.227  -2.984  18.044
  297    H    ASP  43           H        ASP  43   9.236  -4.623  19.276
  298    HA   ASP  43           HA       ASP  43  10.888  -2.594  19.510
  299   1HB   ASP  43          1HB       ASP  43  11.153  -5.348  19.180
  300   2HB   ASP  43          2HB       ASP  43  12.073  -4.733  17.821
  301    H    LYS  44           H        LYS  44  10.587  -4.461  16.381
  302    HA   LYS  44           HA       LYS  44  11.481  -2.057  14.972
  303   1HB   LYS  44          1HB       LYS  44  11.484  -4.989  14.213
  304   2HB   LYS  44          2HB       LYS  44  11.854  -3.702  13.082
  305   1HG   LYS  44          1HG       LYS  44  13.838  -3.092  14.203
  306   2HG   LYS  44          2HG       LYS  44  13.303  -3.751  15.735
  307   1HD   LYS  44          1HD       LYS  44  14.262  -5.758  15.285
  308   2HD   LYS  44          2HD       LYS  44  13.401  -5.887  13.764
  309   1HE   LYS  44          2HE       LYS  44  15.436  -5.663  12.762
  310   2HE   LYS  44          1HE       LYS  44  15.324  -3.963  13.170
  311   1HZ   LYS  44          1HZ       LYS  44  16.380  -5.902  15.087
  312   2HZ   LYS  44          2HZ       LYS  44  17.340  -5.224  13.953
  313   3HZ   LYS  44          3HZ       LYS  44  16.594  -4.284  15.061
  314    H    GLN  45           H        GLN  45   8.837  -2.095  16.071
  315    HA   GLN  45           HA       GLN  45   6.821  -3.037  14.663
  316   1HB   GLN  45          1HB       GLN  45   6.709  -1.442  16.619
  317   2HB   GLN  45          2HB       GLN  45   7.022  -0.116  15.517
  318   1HG   GLN  45          1HG       GLN  45   4.946  -0.418  14.366
  319   2HG   GLN  45          2HG       GLN  45   4.728  -2.039  14.996
  320   2HE2  GLN  45          2HE2      GLN  45   4.899   1.376  15.886
  321   1HE2  GLN  45          1HE2      GLN  45   3.862   1.307  17.272
  322    H    TYR  46           H        TYR  46   8.844  -0.254  13.745
  323    HA   TYR  46           HA       TYR  46   7.497  -0.143  11.102
  324   1HB   TYR  46          2HB       TYR  46   9.551   1.788  12.191
  325   2HB   TYR  46          1HB       TYR  46   8.360   2.051  10.905
  326    HD1  TYR  46           HD1      TYR  46   5.887   2.111  11.537
  327    HD2  TYR  46           HD2      TYR  46   9.055   2.324  14.430
  328    HE1  TYR  46           HE1      TYR  46   4.310   3.071  13.193
  329    HE2  TYR  46           HE2      TYR  46   7.478   3.283  16.086
  330    HH   TYR  46           HH       TYR  46   5.299   4.501  16.151
  331    H    ALA  47           H        ALA  47   8.442  -1.702   9.757
  332    HA   ALA  47           HA       ALA  47  11.334  -1.402   9.422
  333   1HB   ALA  47          1HB       ALA  47   9.825  -3.787  10.335
  334   2HB   ALA  47          3HB       ALA  47  11.544  -3.373  10.538
  335   3HB   ALA  47          2HB       ALA  47  10.975  -4.086   9.009
  336    H    GLY  48           H        GLY  48  11.801  -3.088   7.347
  337   1HA   GLY  48          2HA       GLY  48  11.708  -2.930   5.079
  338   2HA   GLY  48          1HA       GLY  48  10.370  -1.805   5.199
  339    H    CYS  49           H        CYS  49   8.804  -2.685   3.873
  340    HA   CYS  49           HA       CYS  49   7.505  -5.029   4.811
  341   1HB   CYS  49          2HB       CYS  49   6.951  -3.640   2.196
  342   2HB   CYS  49          1HB       CYS  49   5.858  -4.594   3.178
  343    H    THR  50           H        THR  50   9.829  -4.124   2.257
  344    HA   THR  50           HA       THR  50   9.623  -6.755   1.024
  345    HB   THR  50           HB       THR  50  11.355  -5.630  -0.534
  346    HG1  THR  50           HG1      THR  50  12.143  -3.853   0.548
  347   1HG2  THR  50          1HG2      THR  50   8.802  -5.537  -0.931
  348   2HG2  THR  50          2HG2      THR  50   8.835  -3.950  -0.126
  349   3HG2  THR  50          3HG2      THR  50   9.739  -4.199  -1.639
  350    H    THR  51           H        THR  51  10.640  -6.214   3.875
  351    HA   THR  51           HA       THR  51  13.437  -6.734   3.774
  352    HB   THR  51           HB       THR  51  11.365  -7.086   6.005
  353    HG1  THR  51           HG1      THR  51  11.835  -4.946   4.704
  354   1HG2  THR  51          1HG2      THR  51  13.760  -8.070   6.335
  355   2HG2  THR  51          2HG2      THR  51  14.326  -6.385   6.238
  356   3HG2  THR  51          3HG2      THR  51  13.210  -6.876   7.535
  357    H    ASP  52           H        ASP  52  14.535  -8.681   4.511
  358    HA   ASP  52           HA       ASP  52  13.794 -10.856   3.062
  359   1HB   ASP  52          1HB       ASP  52  15.982 -10.180   4.494
  360   2HB   ASP  52          2HB       ASP  52  15.268 -11.277   5.659
  361    H    GLY  53           H        GLY  53  12.926 -12.999   3.759
  362   1HA   GLY  53          2HA       GLY  53  11.995 -13.619   6.297
  363   2HA   GLY  53          1HA       GLY  53  11.421 -14.308   4.791
  364    H    CYS  54           H        CYS  54  10.593 -11.572   3.736
  365    HA   CYS  54           HA       CYS  54   8.072 -11.499   5.188
  366   1HB   CYS  54          1HB       CYS  54   9.576  -8.962   4.478
  367   2HB   CYS  54          2HB       CYS  54   8.038  -9.083   5.309
  368    H    HIS  55           H        HIS  55   7.972  -8.839   3.296
  369    HA   HIS  55           HA       HIS  55   6.941 -10.362   1.048
  370   1HB   HIS  55          1HB       HIS  55   6.663  -7.394   1.553
  371   2HB   HIS  55          2HB       HIS  55   5.717  -8.393   0.468
  372    HD1  HIS  55           HD1      HIS  55   4.196 -10.318   1.746
  373    HD2  HIS  55           HD2      HIS  55   5.570  -7.094   4.052
  374    HE1  HIS  55           HE1      HIS  55   2.742 -10.267   3.842
  375    H    ASN  56           H        ASN  56   9.638 -10.615   1.064
  376    HA   ASN  56           HA       ASN  56  10.731  -8.462  -0.497
  377   1HB   ASN  56          1HB       ASN  56  12.049  -9.636   1.338
  378   2HB   ASN  56          2HB       ASN  56  12.010 -11.104   0.382
  379   2HD2  ASN  56          2HD2      ASN  56  14.350  -9.857   1.204
  380   1HD2  ASN  56          1HD2      ASN  56  15.223  -9.264  -0.169
  381    H    ILE  57           H        ILE  57   8.988  -9.109  -2.237
  382    HA   ILE  57           HA       ILE  57  10.216 -11.090  -4.006
  383    HB   ILE  57           HB       ILE  57   7.251 -10.879  -3.480
  384   1HG1  ILE  57          1HG1      ILE  57   8.770 -11.862  -1.618
  385   2HG1  ILE  57          2HG1      ILE  57   7.335 -12.739  -2.113
  386   1HG2  ILE  57          1HG2      ILE  57   8.923 -12.354  -5.452
  387   2HG2  ILE  57          2HG2      ILE  57   7.537 -13.214  -4.741
  388   3HG2  ILE  57          3HG2      ILE  57   7.284 -11.679  -5.606
  389   1HD1  ILE  57          1HD1      ILE  57   9.851 -13.347  -3.628
  390   2HD1  ILE  57          2HD1      ILE  57   9.765 -13.914  -1.943
  391   3HD1  ILE  57          3HD1      ILE  57   8.538 -14.436  -3.122
  392    H    LEU  58           H        LEU  58  10.936  -9.932  -5.709
  393    HA   LEU  58           HA       LEU  58   9.343  -7.611  -6.508
  394   1HB   LEU  58          1HB       LEU  58  12.201  -8.358  -7.141
  395   2HB   LEU  58          2HB       LEU  58  11.376  -6.923  -7.715
  396    HG   LEU  58           HG       LEU  58  12.115  -7.595  -4.858
  397   1HD1  LEU  58          1HD1      LEU  58  13.927  -6.751  -6.321
  398   2HD1  LEU  58          2HD1      LEU  58  12.965  -5.285  -6.626
  399   3HD1  LEU  58          3HD1      LEU  58  13.537  -5.648  -4.980
  400   1HD2  LEU  58          1HD2      LEU  58  10.403  -5.330  -5.908
  401   2HD2  LEU  58          2HD2      LEU  58   9.952  -6.590  -4.733
  402   3HD2  LEU  58          3HD2      LEU  58  11.153  -5.352  -4.294
  403    H    ASP  59           H        ASP  59   7.786  -9.415  -7.301
  404    HA   ASP  59           HA       ASP  59   8.379  -9.725 -10.095
  405   1HB   ASP  59          1HB       ASP  59   8.874 -11.870  -8.424
  406   2HB   ASP  59          2HB       ASP  59   7.199 -12.165  -8.845
  407    H    LYS  60           H        LYS  60   6.576  -8.432 -10.675
  408    HA   LYS  60           HA       LYS  60   4.125  -8.565  -9.261
  409   1HB   LYS  60          2HB       LYS  60   3.325  -7.018 -10.960
  410   2HB   LYS  60          1HB       LYS  60   4.904  -6.530 -10.377
  411   1HG   LYS  60          1HG       LYS  60   5.226  -8.349 -12.628
  412   2HG   LYS  60          2HG       LYS  60   4.129  -7.059 -13.076
  413   1HD   LYS  60          1HD       LYS  60   5.772  -5.456 -13.012
  414   2HD   LYS  60          2HD       LYS  60   6.501  -6.116 -11.561
  415   1HE   LYS  60          2HE       LYS  60   8.158  -6.518 -13.196
  416   2HE   LYS  60          1HE       LYS  60   7.337  -8.064 -13.100
  417   1HZ   LYS  60          1HZ       LYS  60   6.259  -6.161 -14.979
  418   2HZ   LYS  60          2HZ       LYS  60   7.714  -6.799 -15.355
  419   3HZ   LYS  60          3HZ       LYS  60   6.430  -7.780 -15.117
  420    H    ALA  61           H        ALA  61   4.390 -11.132  -9.518
  421    HA   ALA  61           HA       ALA  61   2.220 -12.112 -10.719
  422   1HB   ALA  61          1HB       ALA  61   3.404 -13.151 -12.862
  423   2HB   ALA  61          3HB       ALA  61   4.414 -11.692 -12.730
  424   3HB   ALA  61          2HB       ALA  61   2.651 -11.539 -12.922
  425    H    ASP  62           H        ASP  62   3.242 -12.828  -8.454
  426    HA   ASP  62           HA       ASP  62   4.698 -15.290  -9.026
  427   1HB   ASP  62          1HB       ASP  62   5.887 -13.416  -7.668
  428   2HB   ASP  62          2HB       ASP  62   4.750 -13.775  -6.384
  429    H    LYS  63           H        LYS  63   4.374 -16.763  -6.784
  430    HA   LYS  63           HA       LYS  63   1.546 -16.565  -6.040
  431   1HB   LYS  63          1HB       LYS  63   2.695 -18.546  -7.728
  432   2HB   LYS  63          2HB       LYS  63   2.352 -19.319  -6.194
  433   1HG   LYS  63          1HG       LYS  63   0.048 -17.898  -6.462
  434   2HG   LYS  63          2HG       LYS  63   0.456 -18.065  -8.158
  435   1HD   LYS  63          1HD       LYS  63   0.896 -20.627  -6.924
  436   2HD   LYS  63          2HD       LYS  63  -0.663 -20.048  -6.371
  437   1HE   LYS  63          1HE       LYS  63  -1.599 -20.078  -8.504
  438   2HE   LYS  63          2HE       LYS  63  -0.080 -19.713  -9.298
  439   1HZ   LYS  63          1HZ       LYS  63  -0.766 -22.294  -8.070
  440   2HZ   LYS  63          2HZ       LYS  63  -0.749 -21.977  -9.672
  441   3HZ   LYS  63          3HZ       LYS  63   0.644 -21.952  -8.820
  442    H    SER  64           H        SER  64   2.188 -15.578  -4.057
  443    HA   SER  64           HA       SER  64   2.689 -17.409  -2.041
  444   1HB   SER  64          1HB       SER  64   5.061 -16.812  -3.281
  445   2HB   SER  64          2HB       SER  64   5.020 -15.542  -2.074
  446    HG   SER  64           HG       SER  64   5.858 -17.093  -0.830
  447    H    VAL  65           H        VAL  65   2.753 -16.295   0.136
  448    HA   VAL  65           HA       VAL  65   1.191 -13.881  -0.009
  449    HB   VAL  65           HB       VAL  65   0.503 -15.583   1.508
  450   1HG1  VAL  65          1HG1      VAL  65   3.386 -15.599   2.313
  451   2HG1  VAL  65          2HG1      VAL  65   2.163 -15.988   3.547
  452   3HG1  VAL  65          3HG1      VAL  65   2.260 -16.953   2.054
  453   1HG2  VAL  65          1HG2      VAL  65   0.793 -12.974   2.217
  454   2HG2  VAL  65          2HG2      VAL  65  -0.026 -14.198   3.217
  455   3HG2  VAL  65          3HG2      VAL  65   1.672 -13.774   3.542
  456    H    ASN  66           H        ASN  66   4.378 -14.397  -0.467
  457    HA   ASN  66           HA       ASN  66   5.250 -12.292   1.314
  458   1HB   ASN  66          2HB       ASN  66   6.877 -13.986  -0.653
  459   2HB   ASN  66          1HB       ASN  66   7.538 -12.933   0.582
  460   2HD2  ASN  66          2HD2      ASN  66   6.599 -13.356   2.841
  461   1HD2  ASN  66          1HD2      ASN  66   6.543 -15.008   3.360
  462    H    SER  67           H        SER  67   3.569 -12.287  -1.419
  463    HA   SER  67           HA       SER  67   5.275 -10.879  -3.187
  464   1HB   SER  67          1HB       SER  67   2.896 -10.393  -4.273
  465   2HB   SER  67          2HB       SER  67   3.618 -11.987  -4.371
  466    HG   SER  67           HG       SER  67   1.362 -12.015  -3.668
  467    H    TRP  68           H        TRP  68   5.516  -8.648  -3.437
  468    HA   TRP  68           HA       TRP  68   4.229  -7.023  -1.389
  469   1HB   TRP  68          1HB       TRP  68   6.523  -6.686  -1.367
  470   2HB   TRP  68          2HB       TRP  68   6.664  -6.733  -3.113
  471    HD1  TRP  68           HD1      TRP  68   6.926  -4.377  -4.210
  472    HE1  TRP  68           HE1      TRP  68   6.466  -1.850  -3.603
  473    HE3  TRP  68           HE3      TRP  68   4.654  -5.313   0.241
  474    HZ2  TRP  68           HZ2      TRP  68   5.232  -0.556  -1.380
  475    HZ3  TRP  68           HZ3      TRP  68   3.851  -3.362   1.568
  476    HH2  TRP  68           HH2      TRP  68   4.109  -1.048   0.824
  477    H    TYR  69           H        TYR  69   3.158  -8.234  -4.047
  478    HA   TYR  69           HA       TYR  69   2.071  -5.676  -5.129
  479   1HB   TYR  69          1HB       TYR  69   3.503  -6.609  -6.794
  480   2HB   TYR  69          2HB       TYR  69   2.874  -8.243  -6.521
  481    HD1  TYR  69           HD1      TYR  69   0.536  -8.808  -7.239
  482    HD2  TYR  69           HD2      TYR  69   2.431  -5.099  -8.289
  483    HE1  TYR  69           HE1      TYR  69  -1.135  -8.464  -9.038
  484    HE2  TYR  69           HE2      TYR  69   0.759  -4.755 -10.089
  485    HH   TYR  69           HH       TYR  69  -1.064  -5.595 -11.173
  486    H    LYS  70           H        LYS  70   1.368  -8.403  -3.269
  487    HA   LYS  70           HA       LYS  70  -1.358  -8.533  -4.345
  488   1HB   LYS  70          1HB       LYS  70   0.026 -10.645  -4.243
  489   2HB   LYS  70          2HB       LYS  70   0.007 -10.507  -2.496
  490   1HG   LYS  70          1HG       LYS  70  -2.692 -10.162  -3.197
  491   2HG   LYS  70          2HG       LYS  70  -2.137 -11.379  -4.329
  492   1HD   LYS  70          1HD       LYS  70  -1.547 -11.585  -1.348
  493   2HD   LYS  70          2HD       LYS  70  -3.037 -12.202  -2.033
  494   1HE   LYS  70          1HE       LYS  70  -0.215 -13.046  -2.851
  495   2HE   LYS  70          2HE       LYS  70  -1.326 -13.993  -1.881
  496   1HZ   LYS  70          1HZ       LYS  70  -2.868 -13.694  -3.882
  497   2HZ   LYS  70          2HZ       LYS  70  -1.509 -13.330  -4.712
  498   3HZ   LYS  70          3HZ       LYS  70  -1.657 -14.785  -3.984
  499    H    VAL  71           H        VAL  71   0.644  -8.097  -1.383
  500    HA   VAL  71           HA       VAL  71  -1.541  -7.772   0.354
  501    HB   VAL  71           HB       VAL  71   0.162  -6.773   1.848
  502   1HG1  VAL  71          1HG1      VAL  71  -0.196  -9.311   1.374
  503   2HG1  VAL  71          2HG1      VAL  71   1.391  -9.212   0.575
  504   3HG1  VAL  71          3HG1      VAL  71   1.234  -8.790   2.297
  505   1HG2  VAL  71          1HG2      VAL  71   1.472  -6.121  -0.543
  506   2HG2  VAL  71          2HG2      VAL  71   2.084  -5.901   1.114
  507   3HG2  VAL  71          3HG2      VAL  71   2.482  -7.380   0.207
  508    H    VAL  72           H        VAL  72  -0.491  -5.898  -2.277
  509    HA   VAL  72           HA       VAL  72  -1.467  -3.423  -1.053
  510    HB   VAL  72           HB       VAL  72   0.109  -3.973  -3.574
  511   1HG1  VAL  72          1HG1      VAL  72  -1.422  -1.616  -2.717
  512   2HG1  VAL  72          2HG1      VAL  72   0.280  -1.261  -3.096
  513   3HG1  VAL  72          3HG1      VAL  72  -0.760  -2.037  -4.314
  514   1HG2  VAL  72          1HG2      VAL  72   0.928  -3.739  -0.886
  515   2HG2  VAL  72          2HG2      VAL  72   1.953  -3.729  -2.341
  516   3HG2  VAL  72          3HG2      VAL  72   1.355  -2.196  -1.663
  517    H    HIS  73           H        HIS  73  -1.785  -5.468  -4.037
  518    HA   HIS  73           HA       HIS  73  -4.309  -4.132  -4.566
  519   1HB   HIS  73          2HB       HIS  73  -2.818  -6.163  -6.248
  520   2HB   HIS  73          1HB       HIS  73  -4.200  -5.205  -6.743
  521    HD1  HIS  73           HD1      HIS  73  -0.498  -4.927  -6.033
  522    HD2  HIS  73           HD2      HIS  73  -3.632  -2.555  -7.497
  523    HE1  HIS  73           HE1      HIS  73   0.586  -2.837  -7.016
  524    H    ASP  74           H        ASP  74  -3.847  -6.012  -2.250
  525    HA   ASP  74           HA       ASP  74  -5.127  -8.423  -2.981
  526   1HB   ASP  74          1HB       ASP  74  -3.845  -7.257  -0.641
  527   2HB   ASP  74          2HB       ASP  74  -5.379  -7.957  -0.164
  528    H    ALA  75           H        ALA  75  -7.268  -8.111  -3.740
  529    HA   ALA  75           HA       ALA  75  -8.977  -6.153  -2.566
  530   1HB   ALA  75          1HB       ALA  75 -10.086  -8.359  -4.238
  531   2HB   ALA  75          3HB       ALA  75  -8.832  -7.348  -4.994
  532   3HB   ALA  75          2HB       ALA  75 -10.319  -6.599  -4.365
  533    H    LYS  76           H        LYS  76  -7.867  -9.183  -1.542
  534    HA   LYS  76           HA       LYS  76 -10.199  -9.430   0.211
  535   1HB   LYS  76          1HB       LYS  76 -10.175 -11.093  -1.762
  536   2HB   LYS  76          2HB       LYS  76  -8.818 -11.850  -0.953
  537   1HG   LYS  76          1HG       LYS  76 -10.365 -11.826   1.180
  538   2HG   LYS  76          2HG       LYS  76 -11.671 -11.550   0.045
  539   1HD   LYS  76          1HD       LYS  76  -9.727 -13.800  -0.505
  540   2HD   LYS  76          2HD       LYS  76 -10.949 -14.031   0.729
  541   1HE   LYS  76          1HE       LYS  76 -11.762 -12.967  -1.991
  542   2HE   LYS  76          2HE       LYS  76 -11.472 -14.683  -1.788
  543   1HZ   LYS  76          1HZ       LYS  76 -13.036 -14.538   0.133
  544   2HZ   LYS  76          2HZ       LYS  76 -13.434 -13.035  -0.367
  545   3HZ   LYS  76          3HZ       LYS  76 -13.716 -14.319  -1.335
  546    H    GLY  77           H        GLY  77  -9.717  -9.940   2.354
  547   1HA   GLY  77          2HA       GLY  77  -7.234  -9.197   3.348
  548   2HA   GLY  77          1HA       GLY  77  -7.197 -10.941   3.181
  549    H    GLY  78           H        GLY  78  -7.247 -11.481   5.389
  550   1HA   GLY  78          2HA       GLY  78  -8.889 -12.304   6.953
  551   2HA   GLY  78          1HA       GLY  78  -9.777 -10.805   6.763
  552    H    ALA  79           H        ALA  79  -6.490 -12.024   7.714
  553    HA   ALA  79           HA       ALA  79  -6.378 -11.079  10.213
  554   1HB   ALA  79          1HB       ALA  79  -4.048 -11.331  10.057
  555   2HB   ALA  79          3HB       ALA  79  -3.999 -10.746   8.377
  556   3HB   ALA  79          2HB       ALA  79  -4.650 -12.363   8.737
  557    H    LYS  80           H        LYS  80  -5.921  -9.183   7.192
  558    HA   LYS  80           HA       LYS  80  -6.661  -6.801   8.549
  559   1HB   LYS  80          1HB       LYS  80  -4.412  -5.662   7.856
  560   2HB   LYS  80          2HB       LYS  80  -4.543  -6.502   9.388
  561   1HG   LYS  80          1HG       LYS  80  -3.587  -8.571   8.296
  562   2HG   LYS  80          2HG       LYS  80  -3.385  -7.664   6.810
  563   1HD   LYS  80          2HD       LYS  80  -2.064  -7.032   9.492
  564   2HD   LYS  80          1HD       LYS  80  -1.268  -7.716   8.089
  565   1HE   LYS  80          1HE       LYS  80  -1.874  -5.631   6.782
  566   2HE   LYS  80          2HE       LYS  80  -2.552  -4.947   8.246
  567   1HZ   LYS  80          1HZ       LYS  80   0.111  -5.968   8.524
  568   2HZ   LYS  80          2HZ       LYS  80  -0.021  -4.686   7.521
  569   3HZ   LYS  80          3HZ       LYS  80  -0.531  -4.569   9.068
  570    HA   PRO  81           HA       PRO  81  -7.774  -5.817   4.433
  571   1HB   PRO  81          1HB       PRO  81  -7.975  -3.090   4.590
  572   2HB   PRO  81          2HB       PRO  81  -9.071  -4.190   5.487
  573   1HG   PRO  81          1HG       PRO  81  -6.786  -2.745   6.351
  574   2HG   PRO  81          2HG       PRO  81  -8.288  -2.956   7.309
  575   1HD   PRO  81          1HD       PRO  81  -5.949  -4.389   7.761
  576   2HD   PRO  81          2HD       PRO  81  -7.575  -5.059   8.089
  577    H    THR  82           H        THR  82  -7.101  -3.739   2.747
  578    HA   THR  82           HA       THR  82  -4.180  -3.557   2.816
  579    HB   THR  82           HB       THR  82  -4.210  -4.228   0.352
  580    HG1  THR  82           HG1      THR  82  -6.354  -5.500  -0.006
  581   1HG2  THR  82          1HG2      THR  82  -4.506  -5.962   2.651
  582   2HG2  THR  82          2HG2      THR  82  -5.463  -6.643   1.313
  583   3HG2  THR  82          3HG2      THR  82  -3.724  -6.332   1.095
  584    H    CYS  83           H        CYS  83  -3.844  -2.306   0.329
  585    HA   CYS  83           HA       CYS  83  -4.776   0.288   1.047
  586   1HB   CYS  83          1HB       CYS  83  -3.391  -0.394  -1.534
  587   2HB   CYS  83          2HB       CYS  83  -3.368   1.111  -0.637
  588    H    ILE  84           H        ILE  84  -6.212  -2.356  -0.436
  589    HA   ILE  84           HA       ILE  84  -7.812  -0.648  -2.209
  590    HB   ILE  84           HB       ILE  84  -6.911  -3.494  -2.386
  591   1HG1  ILE  84          1HG1      ILE  84  -5.723  -1.566  -3.514
  592   2HG1  ILE  84          2HG1      ILE  84  -6.191  -2.900  -4.550
  593   1HG2  ILE  84          1HG2      ILE  84  -9.509  -2.376  -3.395
  594   2HG2  ILE  84          2HG2      ILE  84  -8.640  -3.614  -4.334
  595   3HG2  ILE  84          3HG2      ILE  84  -9.155  -3.961  -2.666
  596   1HD1  ILE  84          1HD1      ILE  84  -8.029  -0.509  -4.194
  597   2HD1  ILE  84          2HD1      ILE  84  -6.694  -0.477  -5.371
  598   3HD1  ILE  84          3HD1      ILE  84  -7.988  -1.691  -5.524
  599    H    SER  85           H        SER  85  -7.853  -3.279   0.257
  600    HA   SER  85           HA       SER  85 -10.544  -3.645   0.380
  601   1HB   SER  85          1HB       SER  85  -8.420  -4.668   1.706
  602   2HB   SER  85          2HB       SER  85  -9.015  -3.605   2.966
  603    HG   SER  85           HG       SER  85 -10.077  -5.558   3.268
  604    H    CYS  86           H        CYS  86  -8.548  -1.471   2.523
  605    HA   CYS  86           HA       CYS  86 -10.735  -0.280   3.749
  606   1HB   CYS  86          1HB       CYS  86  -8.304  -0.253   4.503
  607   2HB   CYS  86          2HB       CYS  86  -8.031   1.023   3.333
  608    H    HIS  87           H        HIS  87  -8.571   0.904   1.065
  609    HA   HIS  87           HA       HIS  87  -9.837   3.232   0.508
  610   1HB   HIS  87          1HB       HIS  87  -8.325   1.252  -1.164
  611   2HB   HIS  87          2HB       HIS  87  -9.090   2.620  -1.948
  612    HD1  HIS  87           HD1      HIS  87  -6.811   3.705  -2.560
  613    HD2  HIS  87           HD2      HIS  87  -7.402   3.171   1.558
  614    HE1  HIS  87           HE1      HIS  87  -4.981   5.049  -1.395
  615    H    LYS  88           H        LYS  88 -10.820  -0.100  -0.353
  616    HA   LYS  88           HA       LYS  88 -12.803   0.603  -2.193
  617   1HB   LYS  88          1HB       LYS  88 -12.045  -1.800  -0.615
  618   2HB   LYS  88          2HB       LYS  88 -13.700  -1.744  -1.190
  619   1HG   LYS  88          1HG       LYS  88 -12.899  -1.327  -3.512
  620   2HG   LYS  88          2HG       LYS  88 -11.238  -1.324  -2.952
  621   1HD   LYS  88          1HD       LYS  88 -11.135  -3.590  -3.022
  622   2HD   LYS  88          2HD       LYS  88 -12.560  -3.741  -2.013
  623   1HE   LYS  88          1HE       LYS  88 -12.776  -3.077  -4.978
  624   2HE   LYS  88          2HE       LYS  88 -12.676  -4.734  -4.417
  625   1HZ   LYS  88          1HZ       LYS  88 -14.561  -3.516  -2.850
  626   2HZ   LYS  88          2HZ       LYS  88 -14.878  -3.004  -4.368
  627   3HZ   LYS  88          3HZ       LYS  88 -14.826  -4.603  -4.039
  628    H    ASP  89           H        ASP  89 -12.883   0.088   1.387
  629    HA   ASP  89           HA       ASP  89 -15.581   0.366   1.698
  630   1HB   ASP  89          1HB       ASP  89 -13.549  -0.113   3.380
  631   2HB   ASP  89          2HB       ASP  89 -13.681   1.606   3.697
  632    H    LYS  90           H        LYS  90 -12.929   2.794   1.436
  633    HA   LYS  90           HA       LYS  90 -14.436   5.037   2.170
  634   1HB   LYS  90          1HB       LYS  90 -11.811   4.481   0.917
  635   2HB   LYS  90          2HB       LYS  90 -12.506   6.041   0.528
  636   1HG   LYS  90          1HG       LYS  90 -12.028   4.926   3.331
  637   2HG   LYS  90          2HG       LYS  90 -11.130   6.220   2.564
  638   1HD   LYS  90          1HD       LYS  90 -13.643   7.245   2.319
  639   2HD   LYS  90          2HD       LYS  90 -13.888   6.261   3.748
  640   1HE   LYS  90          1HE       LYS  90 -11.942   7.373   4.856
  641   2HE   LYS  90          2HE       LYS  90 -11.675   8.345   3.422
  642   1HZ   LYS  90          1HZ       LYS  90 -14.253   8.354   4.807
  643   2HZ   LYS  90          2HZ       LYS  90 -13.038   9.350   5.253
  644   3HZ   LYS  90          3HZ       LYS  90 -13.671   9.455   3.751
  645    H    ALA  91           H        ALA  91 -13.917   3.333  -0.950
  646    HA   ALA  91           HA       ALA  91 -15.649   5.286  -2.256
  647   1HB   ALA  91          1HB       ALA  91 -14.532   3.001  -3.785
  648   2HB   ALA  91          3HB       ALA  91 -14.546   4.739  -4.169
  649   3HB   ALA  91          2HB       ALA  91 -13.323   4.084  -3.054
  650    H    GLY  92           H        GLY  92 -16.523   3.257  -0.155
  651   1HA   GLY  92          2HA       GLY  92 -17.988   1.508   0.068
  652   2HA   GLY  92          1HA       GLY  92 -18.076   1.331  -1.673
  653    H    ASP  93           H        ASP  93 -19.010   3.538  -2.781
  654    HA   ASP  93           HA       ASP  93 -21.627   3.589  -2.342
  655   1HB   ASP  93          1HB       ASP  93 -21.846   5.903  -1.122
  656   2HB   ASP  93          2HB       ASP  93 -21.626   4.456  -0.159
  657    H    ASP  94           H        ASP  94 -18.945   6.062  -2.430
  658    HA   ASP  94           HA       ASP  94 -20.256   7.495  -4.504
  659   1HB   ASP  94          1HB       ASP  94 -18.853   8.628  -2.795
  660   2HB   ASP  94          2HB       ASP  94 -17.450   7.717  -3.317
  661    H    LYS  95           H        LYS  95 -19.998   7.065  -6.706
  662    HA   LYS  95           HA       LYS  95 -18.280   4.943  -7.508
  663   1HB   LYS  95          1HB       LYS  95 -20.099   6.839  -9.010
  664   2HB   LYS  95          2HB       LYS  95 -19.147   5.603  -9.807
  665   1HG   LYS  95          1HG       LYS  95 -20.215   3.883  -8.253
  666   2HG   LYS  95          2HG       LYS  95 -21.263   5.153  -7.651
  667   1HD   LYS  95          1HD       LYS  95 -21.066   4.424 -10.609
  668   2HD   LYS  95          2HD       LYS  95 -22.244   3.709  -9.526
  669   1HE   LYS  95          1HE       LYS  95 -21.978   6.729  -9.853
  670   2HE   LYS  95          2HE       LYS  95 -23.011   5.770 -10.895
  671   1HZ   LYS  95          1HZ       LYS  95 -23.240   5.546  -7.993
  672   2HZ   LYS  95          2HZ       LYS  95 -23.989   6.758  -8.791
  673   3HZ   LYS  95          3HZ       LYS  95 -24.356   5.204  -9.135
  674    H    GLU  96           H        GLU  96 -18.240   8.529  -7.682
  675    HA   GLU  96           HA       GLU  96 -16.030   8.653  -9.381
  676   1HB   GLU  96          1HB       GLU  96 -17.643  10.526  -8.960
  677   2HB   GLU  96          2HB       GLU  96 -17.005  10.699  -7.337
  678   1HG   GLU  96          2HG       GLU  96 -15.754  12.311  -8.488
  679   2HG   GLU  96          1HG       GLU  96 -14.666  10.939  -8.542
  680    H    LEU  97           H        LEU  97 -16.416   8.086  -5.919
  681    HA   LEU  97           HA       LEU  97 -13.732   8.801  -5.251
  682   1HB   LEU  97          1HB       LEU  97 -15.845   8.798  -3.781
  683   2HB   LEU  97          2HB       LEU  97 -15.580   7.072  -3.627
  684    HG   LEU  97           HG       LEU  97 -14.650   8.153  -1.711
  685   1HD1  LEU  97          1HD1      LEU  97 -13.352   6.291  -3.012
  686   2HD1  LEU  97          2HD1      LEU  97 -12.171   7.591  -3.302
  687   3HD1  LEU  97          3HD1      LEU  97 -12.591   7.125  -1.636
  688   1HD2  LEU  97          1HD2      LEU  97 -14.190  10.309  -3.353
  689   2HD2  LEU  97          2HD2      LEU  97 -13.619  10.135  -1.676
  690   3HD2  LEU  97          3HD2      LEU  97 -12.545   9.709  -3.030
  691    H    LYS  98           H        LYS  98 -15.319   6.081  -6.727
  692    HA   LYS  98           HA       LYS  98 -13.251   4.227  -5.922
  693   1HB   LYS  98          1HB       LYS  98 -15.690   3.616  -6.130
  694   2HB   LYS  98          2HB       LYS  98 -15.539   3.812  -7.864
  695   1HG   LYS  98          1HG       LYS  98 -13.383   2.194  -7.410
  696   2HG   LYS  98          2HG       LYS  98 -14.410   1.679  -6.087
  697   1HD   LYS  98          1HD       LYS  98 -15.354   1.832  -8.987
  698   2HD   LYS  98          2HD       LYS  98 -14.719   0.372  -8.254
  699   1HE   LYS  98          1HE       LYS  98 -17.008   1.868  -6.931
  700   2HE   LYS  98          2HE       LYS  98 -17.326   0.778  -8.266
  701   1HZ   LYS  98          1HZ       LYS  98 -15.678  -0.628  -6.655
  702   2HZ   LYS  98          2HZ       LYS  98 -16.630   0.165  -5.592
  703   3HZ   LYS  98          3HZ       LYS  98 -17.301  -0.792  -6.732
  704    H    LYS  99           H        LYS  99 -12.698   6.772  -7.511
  705    HA   LYS  99           HA       LYS  99 -11.195   5.413  -9.609
  706   1HB   LYS  99          1HB       LYS  99 -13.278   7.522 -10.003
  707   2HB   LYS  99          2HB       LYS  99 -11.830   7.610 -10.985
  708   1HG   LYS  99          1HG       LYS  99 -12.856   4.857 -10.829
  709   2HG   LYS  99          2HG       LYS  99 -14.072   5.960 -11.443
  710   1HD   LYS  99          1HD       LYS  99 -13.013   6.121 -13.444
  711   2HD   LYS  99          2HD       LYS  99 -11.512   6.589 -12.670
  712   1HE   LYS  99          1HE       LYS  99 -12.156   3.707 -12.349
  713   2HE   LYS  99          2HE       LYS  99 -11.943   4.192 -14.020
  714   1HZ   LYS  99          1HZ       LYS  99  -9.952   5.382 -12.481
  715   2HZ   LYS  99          2HZ       LYS  99  -9.985   3.789 -12.121
  716   3HZ   LYS  99          3HZ       LYS  99  -9.788   4.272 -13.668
  717    H    LYS 100           H        LYS 100 -10.116   6.009  -7.177
  718    HA   LYS 100           HA       LYS 100  -8.095   7.841  -7.901
  719   1HB   LYS 100          1HB       LYS 100  -8.647   9.311  -5.768
  720   2HB   LYS 100          2HB       LYS 100  -9.287   9.703  -7.351
  721   1HG   LYS 100          1HG       LYS 100 -11.381   8.407  -6.789
  722   2HG   LYS 100          2HG       LYS 100 -10.742   8.115  -5.184
  723   1HD   LYS 100          2HD       LYS 100 -12.185  10.023  -4.972
  724   2HD   LYS 100          1HD       LYS 100 -10.551  10.653  -4.896
  725   1HE   LYS 100          1HE       LYS 100 -10.656  11.254  -7.316
  726   2HE   LYS 100          2HE       LYS 100 -12.275  10.592  -7.420
  727   1HZ   LYS 100          1HZ       LYS 100 -11.546  12.752  -5.570
  728   2HZ   LYS 100          2HZ       LYS 100 -12.163  13.012  -7.060
  729   3HZ   LYS 100          3HZ       LYS 100 -13.050  12.230  -5.933
  730    H    LEU 101           H        LEU 101  -9.867   6.160  -5.241
  731    HA   LEU 101           HA       LEU 101  -7.328   5.652  -3.923
  732   1HB   LEU 101          1HB       LEU 101 -10.108   4.856  -3.061
  733   2HB   LEU 101          2HB       LEU 101  -8.649   4.853  -2.091
  734    HG   LEU 101           HG       LEU 101 -10.260   7.210  -3.058
  735   1HD1  LEU 101          1HD1      LEU 101 -10.862   6.077  -0.925
  736   2HD1  LEU 101          2HD1      LEU 101  -9.248   6.487  -0.296
  737   3HD1  LEU 101          3HD1      LEU 101 -10.391   7.782  -0.728
  738   1HD2  LEU 101          1HD2      LEU 101  -7.417   7.260  -2.017
  739   2HD2  LEU 101          2HD2      LEU 101  -8.005   7.823  -3.601
  740   3HD2  LEU 101          3HD2      LEU 101  -8.483   8.682  -2.117
  741    H    THR 102           H        THR 102  -9.839   4.070  -5.887
  742    HA   THR 102           HA       THR 102  -8.191   1.628  -5.813
  743    HB   THR 102           HB       THR 102 -10.243   0.332  -5.850
  744    HG1  THR 102           HG1      THR 102 -11.459   1.686  -7.286
  745   1HG2  THR 102          1HG2      THR 102  -9.689   1.667  -3.619
  746   2HG2  THR 102          2HG2      THR 102 -11.103   2.645  -4.080
  747   3HG2  THR 102          3HG2      THR 102 -11.284   0.897  -3.796
  748    H    GLY 103           H        GLY 103  -8.467   4.219  -7.581
  749   1HA   GLY 103          2HA       GLY 103  -8.473   4.722  -9.780
  750   2HA   GLY 103          1HA       GLY 103  -9.431   3.288 -10.091
  751    H    CYS 104           H        CYS 104  -8.469   1.809 -11.405
  752    HA   CYS 104           HA       CYS 104  -5.940   0.781 -10.903
  753   1HB   CYS 104          1HB       CYS 104  -8.021   0.486 -12.952
  754   2HB   CYS 104          2HB       CYS 104  -6.399   0.220 -13.560
  755    H    LYS 105           H        LYS 105  -7.150   3.091 -13.443
  756    HA   LYS 105           HA       LYS 105  -4.385   4.057 -13.673
  757   1HB   LYS 105          2HB       LYS 105  -4.745   4.427 -16.042
  758   2HB   LYS 105          1HB       LYS 105  -5.014   2.741 -15.648
  759   1HG   LYS 105          1HG       LYS 105  -7.413   2.986 -15.759
  760   2HG   LYS 105          2HG       LYS 105  -7.313   4.736 -15.740
  761   1HD   LYS 105          1HD       LYS 105  -7.360   4.683 -18.007
  762   2HD   LYS 105          2HD       LYS 105  -5.745   4.004 -17.963
  763   1HE   LYS 105          1HE       LYS 105  -8.274   2.303 -17.759
  764   2HE   LYS 105          2HE       LYS 105  -7.469   2.643 -19.279
  765   1HZ   LYS 105          1HZ       LYS 105  -5.638   1.745 -17.330
  766   2HZ   LYS 105          2HZ       LYS 105  -6.844   0.662 -17.534
  767   3HZ   LYS 105          3HZ       LYS 105  -5.947   1.137 -18.814
  768    H    GLY 106           H        GLY 106  -4.083   6.276 -13.596
  769   1HA   GLY 106          2HA       GLY 106  -6.245   8.114 -13.932
  770   2HA   GLY 106          1HA       GLY 106  -4.611   8.466 -13.407
  771    H    SER 107           H        SER 107  -4.450   6.694 -11.131
  772    HA   SER 107           HA       SER 107  -6.533   7.848  -9.447
  773   1HB   SER 107          1HB       SER 107  -6.194   5.936  -7.931
  774   2HB   SER 107          2HB       SER 107  -6.591   5.377  -9.543
  775    HG   SER 107           HG       SER 107  -4.838   4.141  -8.788
  776    H    ALA 108           H        ALA 108  -5.611   7.863  -6.971
  777    HA   ALA 108           HA       ALA 108  -3.478   9.734  -7.033
  778   1HB   ALA 108          1HB       ALA 108  -3.775   9.255  -4.424
  779   2HB   ALA 108          3HB       ALA 108  -5.268   8.464  -4.985
  780   3HB   ALA 108          2HB       ALA 108  -4.984  10.185  -5.340
  781    H    CYS 109           H        CYS 109  -3.545   6.369  -7.315
  782    HA   CYS 109           HA       CYS 109  -1.025   6.062  -5.878
  783   1HB   CYS 109          1HB       CYS 109  -2.987   4.011  -6.947
  784   2HB   CYS 109          2HB       CYS 109  -1.421   3.599  -6.277
  785    H    HIS 110           H        HIS 110  -2.681   5.528  -9.059
  786    HA   HIS 110           HA       HIS 110  -0.015   5.482 -10.276
  787   1HB   HIS 110          1HB       HIS 110  -2.542   4.081 -11.195
  788   2HB   HIS 110          2HB       HIS 110  -1.033   4.122 -12.086
  789    HD1  HIS 110           HD1      HIS 110   1.088   3.371 -10.131
  790    HD2  HIS 110           HD2      HIS 110  -2.730   1.635 -10.022
  791    HE1  HIS 110           HE1      HIS 110   1.345   1.153  -8.896
  792    HA   PRO 111           HA       PRO 111  -2.058   9.173 -11.951
  793   1HB   PRO 111          1HB       PRO 111  -0.239  11.023 -11.208
  794   2HB   PRO 111          2HB       PRO 111  -1.337  10.285  -9.997
  795   1HG   PRO 111          1HG       PRO 111   1.300   9.614 -10.905
  796   2HG   PRO 111          2HG       PRO 111   1.176   9.601  -9.115
  797   1HD   PRO 111          1HD       PRO 111   1.195   7.280 -10.501
  798   2HD   PRO 111          2HD       PRO 111   0.036   7.489  -9.153
  799    H    SER 112           H        SER 112  -1.374   7.715 -13.945
  800    HA   SER 112           HA       SER 112   0.657   9.248 -15.310
  801   1HB   SER 112          1HB       SER 112   0.897   6.392 -14.546
  802   2HB   SER 112          2HB       SER 112   1.195   6.691 -16.247
  803    HG   SER 112           HG       SER 112   3.146   7.309 -15.635

  No H/Q in entry =         803
  Start of MODEL    6
    1    H1   VAL   1           H1       VAL   1   8.105   8.303  16.964
    2    H2   VAL   1           H2       VAL   1   9.200   7.326  17.731
    3    H3   VAL   1           H3       VAL   1   9.101   8.930  18.129
    4    HA   VAL   1           HA       VAL   1  10.928   8.898  16.869
    5    HB   VAL   1           HB       VAL   1  11.313   6.928  15.918
    6   1HG1  VAL   1          1HG1      VAL   1   8.324   6.623  15.481
    7   2HG1  VAL   1          2HG1      VAL   1   9.538   5.371  15.129
    8   3HG1  VAL   1          3HG1      VAL   1   9.292   5.927  16.802
    9   1HG2  VAL   1          1HG2      VAL   1  11.310   8.398  13.948
   10   2HG2  VAL   1          2HG2      VAL   1  10.813   6.742  13.524
   11   3HG2  VAL   1          3HG2      VAL   1   9.592   8.028  13.670
   12    H    ASP   2           H        ASP   2   7.631   9.566  16.310
   13    HA   ASP   2           HA       ASP   2   6.705  11.352  15.452
   14   1HB   ASP   2          1HB       ASP   2   9.089  12.411  15.735
   15   2HB   ASP   2          2HB       ASP   2   9.271  12.128  14.015
   16    H    VAL   3           H        VAL   3   5.292  10.812  13.783
   17    HA   VAL   3           HA       VAL   3   5.912   9.066  11.741
   18    HB   VAL   3           HB       VAL   3   3.674  10.097  12.751
   19   1HG1  VAL   3          1HG1      VAL   3   4.167  12.317  11.623
   20   2HG1  VAL   3          2HG1      VAL   3   3.833  11.507  10.074
   21   3HG1  VAL   3          3HG1      VAL   3   2.557  11.626  11.309
   22   1HG2  VAL   3          1HG2      VAL   3   4.053   8.943   9.971
   23   2HG2  VAL   3          2HG2      VAL   3   3.714   8.062  11.480
   24   3HG2  VAL   3          3HG2      VAL   3   2.472   9.121  10.769
   25    HA   PRO   4           HA       PRO   4   8.758  11.248   9.190
   26   1HB   PRO   4          2HB       PRO   4   7.316   9.557   7.121
   27   2HB   PRO   4          1HB       PRO   4   9.069   9.795   7.419
   28   1HG   PRO   4          1HG       PRO   4   7.933   7.573   8.353
   29   2HG   PRO   4          2HG       PRO   4   9.254   8.397   9.243
   30   1HD   PRO   4          2HD       PRO   4   6.287   8.286   9.795
   31   2HD   PRO   4          1HD       PRO   4   7.645   8.522  10.937
   32    H    ALA   5           H        ALA   5   8.620  12.705   7.196
   33    HA   ALA   5           HA       ALA   5   6.098  14.119   7.299
   34   1HB   ALA   5          1HB       ALA   5   7.311  15.928   6.580
   35   2HB   ALA   5          3HB       ALA   5   8.326  14.953   5.491
   36   3HB   ALA   5          2HB       ALA   5   8.658  14.970   7.240
   37    H    ASP   6           H        ASP   6   4.839  14.630   5.386
   38    HA   ASP   6           HA       ASP   6   4.316  12.464   3.828
   39   1HB   ASP   6          2HB       ASP   6   2.791  13.852   2.693
   40   2HB   ASP   6          1HB       ASP   6   2.989  14.685   4.222
   41    H    GLY   7           H        GLY   7   4.221  13.353   1.108
   42   1HA   GLY   7          2HA       GLY   7   6.688  14.413   0.190
   43   2HA   GLY   7          1HA       GLY   7   5.446  13.627  -0.764
   44    H    ALA   8           H        ALA   8   5.452  11.122   0.888
   45    HA   ALA   8           HA       ALA   8   8.149  10.117   0.531
   46   1HB   ALA   8          1HB       ALA   8   6.609   9.679   2.549
   47   2HB   ALA   8          3HB       ALA   8   5.700   8.594   1.470
   48   3HB   ALA   8          2HB       ALA   8   7.413   8.266   1.824
   49    H    LYS   9           H        LYS   9   8.799   8.730  -1.091
   50    HA   LYS   9           HA       LYS   9   6.721   8.067  -3.060
   51   1HB   LYS   9          1HB       LYS   9   9.644   8.764  -3.440
   52   2HB   LYS   9          2HB       LYS   9   8.652   8.055  -4.698
   53   1HG   LYS   9          1HG       LYS   9   7.249   9.957  -4.859
   54   2HG   LYS   9          2HG       LYS   9   7.653  10.520  -3.249
   55   1HD   LYS   9          1HD       LYS   9  10.075  10.842  -4.151
   56   2HD   LYS   9          2HD       LYS   9   9.387  10.635  -5.749
   57   1HE   LYS   9          2HE       LYS   9   9.418  13.009  -5.331
   58   2HE   LYS   9          1HE       LYS   9   7.743  12.512  -5.201
   59   1HZ   LYS   9          1HZ       LYS   9   8.840  12.203  -2.705
   60   2HZ   LYS   9          2HZ       LYS   9   9.373  13.651  -3.239
   61   3HZ   LYS   9          3HZ       LYS   9   7.771  13.342  -3.180
   62    H    ILE  10           H        ILE  10   6.439   5.942  -3.626
   63    HA   ILE  10           HA       ILE  10   8.276   4.057  -2.322
   64    HB   ILE  10           HB       ILE  10   5.367   3.674  -3.041
   65   1HG1  ILE  10          1HG1      ILE  10   6.382   3.845  -0.223
   66   2HG1  ILE  10          2HG1      ILE  10   6.096   5.328  -1.113
   67   1HG2  ILE  10          1HG2      ILE  10   6.935   1.653  -3.022
   68   2HG2  ILE  10          2HG2      ILE  10   7.056   1.914  -1.266
   69   3HG2  ILE  10          3HG2      ILE  10   5.474   1.572  -2.008
   70   1HD1  ILE  10          1HD1      ILE  10   4.012   3.113  -0.938
   71   2HD1  ILE  10          2HD1      ILE  10   4.111   4.440   0.244
   72   3HD1  ILE  10          3HD1      ILE  10   3.773   4.795  -1.468
   73    H    ASP  11           H        ASP  11   9.515   2.816  -3.625
   74    HA   ASP  11           HA       ASP  11   8.483   2.011  -6.154
   75   1HB   ASP  11          1HB       ASP  11   9.375   4.098  -6.925
   76   2HB   ASP  11          2HB       ASP  11  10.785   3.975  -5.892
   77    H    PHE  12           H        PHE  12   8.847  -0.146  -5.351
   78    HA   PHE  12           HA       PHE  12  11.654  -0.776  -4.762
   79   1HB   PHE  12          1HB       PHE  12   9.010  -2.139  -3.966
   80   2HB   PHE  12          2HB       PHE  12  10.596  -2.696  -3.470
   81    HD1  PHE  12           HD1      PHE  12  11.900  -0.127  -2.760
   82    HD2  PHE  12           HD2      PHE  12   7.975  -1.534  -1.971
   83    HE1  PHE  12           HE1      PHE  12  11.782   1.343  -0.729
   84    HE2  PHE  12           HE2      PHE  12   7.856  -0.064   0.060
   85    HZ   PHE  12           HZ       PHE  12   9.761   1.357   0.657
   86    H    ILE  13           H        ILE  13   8.775  -1.463  -6.707
   87    HA   ILE  13           HA       ILE  13  10.067  -3.811  -7.852
   88    HB   ILE  13           HB       ILE  13   7.293  -2.653  -8.098
   89   1HG1  ILE  13          1HG1      ILE  13   8.139  -5.327  -6.966
   90   2HG1  ILE  13          2HG1      ILE  13   8.026  -3.883  -5.979
   91   1HG2  ILE  13          1HG2      ILE  13   8.480  -5.070  -9.489
   92   2HG2  ILE  13          2HG2      ILE  13   6.749  -4.660  -9.434
   93   3HG2  ILE  13          3HG2      ILE  13   7.896  -3.572 -10.253
   94   1HD1  ILE  13          1HD1      ILE  13   5.655  -4.345  -7.710
   95   2HD1  ILE  13          2HD1      ILE  13   5.928  -5.599  -6.477
   96   3HD1  ILE  13          3HD1      ILE  13   5.738  -3.897  -5.990
   97    H    ALA  14           H        ALA  14  11.674  -3.206  -9.245
   98    HA   ALA  14           HA       ALA  14  11.547  -0.839 -10.771
   99   1HB   ALA  14          1HB       ALA  14  13.696  -1.671 -10.272
  100   2HB   ALA  14          2HB       ALA  14  13.485  -2.063 -11.995
  101   3HB   ALA  14          3HB       ALA  14  13.270  -3.328 -10.762
  102    H    GLY  15           H        GLY  15  11.952  -1.118 -13.329
  103   1HA   GLY  15          2HA       GLY  15   9.796  -1.373 -14.724
  104   2HA   GLY  15          1HA       GLY  15  10.037  -3.079 -14.401
  105    H    GLY  16           H        GLY  16  10.043  -2.085 -17.042
  106   1HA   GLY  16          2HA       GLY  16  11.424  -2.918 -18.771
  107   2HA   GLY  16          1HA       GLY  16  12.844  -2.609 -17.790
  108    H    GLU  17           H        GLU  17   9.987  -0.777 -19.113
  109    HA   GLU  17           HA       GLU  17  11.771   1.023 -20.402
  110   1HB   GLU  17          1HB       GLU  17   8.743   0.853 -20.179
  111   2HB   GLU  17          2HB       GLU  17   9.533   2.178 -21.010
  112   1HG   GLU  17          1HG       GLU  17  10.472   0.744 -22.674
  113   2HG   GLU  17          2HG       GLU  17  10.241  -0.694 -21.699
  114    H    LYS  18           H        LYS  18   9.815   0.926 -17.431
  115    HA   LYS  18           HA       LYS  18  11.224   3.161 -16.392
  116   1HB   LYS  18          1HB       LYS  18   9.400   4.709 -16.125
  117   2HB   LYS  18          2HB       LYS  18   9.597   4.348 -17.828
  118   1HG   LYS  18          1HG       LYS  18   7.584   3.208 -17.970
  119   2HG   LYS  18          2HG       LYS  18   7.707   2.562 -16.346
  120   1HD   LYS  18          2HD       LYS  18   6.006   4.105 -16.003
  121   2HD   LYS  18          1HD       LYS  18   7.385   5.123 -15.639
  122   1HE   LYS  18          1HE       LYS  18   7.312   6.200 -17.774
  123   2HE   LYS  18          2HE       LYS  18   6.323   4.937 -18.480
  124   1HZ   LYS  18          1HZ       LYS  18   4.635   5.651 -16.738
  125   2HZ   LYS  18          2HZ       LYS  18   5.519   7.017 -16.599
  126   3HZ   LYS  18          3HZ       LYS  18   4.849   6.621 -18.034
  127    H    ASN  19           H        ASN  19   9.156   3.783 -14.391
  128    HA   ASN  19           HA       ASN  19   8.491   1.253 -13.247
  129   1HB   ASN  19          1HB       ASN  19   9.690   2.228 -11.016
  130   2HB   ASN  19          2HB       ASN  19  10.535   1.178 -12.136
  131   2HD2  ASN  19          2HD2      ASN  19   9.626   4.622 -11.940
  132   1HD2  ASN  19          1HD2      ASN  19  11.177   5.281 -12.341
  133    H    LEU  20           H        LEU  20   6.586   1.549 -12.027
  134    HA   LEU  20           HA       LEU  20   5.487   4.180 -11.937
  135   1HB   LEU  20          1HB       LEU  20   4.530   1.486 -10.975
  136   2HB   LEU  20          2HB       LEU  20   3.603   2.960 -10.775
  137    HG   LEU  20           HG       LEU  20   4.412   1.649 -13.382
  138   1HD1  LEU  20          1HD1      LEU  20   2.361   0.954 -11.801
  139   2HD1  LEU  20          2HD1      LEU  20   1.585   2.272 -12.712
  140   3HD1  LEU  20          3HD1      LEU  20   2.289   0.885 -13.579
  141   1HD2  LEU  20          1HD2      LEU  20   3.278   4.381 -12.838
  142   2HD2  LEU  20          2HD2      LEU  20   4.588   3.894 -13.940
  143   3HD2  LEU  20          3HD2      LEU  20   2.896   3.517 -14.347
  144    H    THR  21           H        THR  21   5.357   5.602 -10.239
  145    HA   THR  21           HA       THR  21   6.509   4.662  -7.694
  146    HB   THR  21           HB       THR  21   6.740   7.524  -8.666
  147    HG1  THR  21           HG1      THR  21   8.722   6.713  -9.758
  148   1HG2  THR  21          1HG2      THR  21   8.115   5.670  -6.745
  149   2HG2  THR  21          2HG2      THR  21   9.173   6.766  -7.667
  150   3HG2  THR  21          3HG2      THR  21   7.879   7.431  -6.641
  151    H    VAL  22           H        VAL  22   5.073   4.604  -6.095
  152    HA   VAL  22           HA       VAL  22   2.720   6.319  -6.363
  153    HB   VAL  22           HB       VAL  22   3.305   3.850  -4.723
  154   1HG1  VAL  22          1HG1      VAL  22   1.536   5.915  -4.051
  155   2HG1  VAL  22          2HG1      VAL  22   0.514   4.659  -4.789
  156   3HG1  VAL  22          3HG1      VAL  22   1.551   4.259  -3.399
  157   1HG2  VAL  22          1HG2      VAL  22   2.140   4.336  -7.358
  158   2HG2  VAL  22          2HG2      VAL  22   2.691   2.817  -6.612
  159   3HG2  VAL  22          3HG2      VAL  22   1.048   3.422  -6.290
  160    H    VAL  23           H        VAL  23   2.234   7.916  -4.876
  161    HA   VAL  23           HA       VAL  23   4.363   8.456  -2.944
  162    HB   VAL  23           HB       VAL  23   2.185  10.203  -4.108
  163   1HG1  VAL  23          1HG1      VAL  23   4.207  10.658  -1.942
  164   2HG1  VAL  23          2HG1      VAL  23   3.810  12.000  -3.042
  165   3HG1  VAL  23          3HG1      VAL  23   2.527  11.230  -2.078
  166   1HG2  VAL  23          1HG2      VAL  23   4.001   9.545  -5.688
  167   2HG2  VAL  23          2HG2      VAL  23   3.946  11.293  -5.356
  168   3HG2  VAL  23          3HG2      VAL  23   5.184  10.278  -4.578
  169    H    PHE  24           H        PHE  24   3.989   8.476  -0.747
  170    HA   PHE  24           HA       PHE  24   1.209   8.010   0.067
  171   1HB   PHE  24          1HB       PHE  24   2.796   5.972   0.087
  172   2HB   PHE  24          2HB       PHE  24   3.808   6.838   1.225
  173    HD1  PHE  24           HD1      PHE  24   0.461   5.333   0.772
  174    HD2  PHE  24           HD2      PHE  24   3.288   6.878   3.534
  175    HE1  PHE  24           HE1      PHE  24  -0.902   4.426   2.674
  176    HE2  PHE  24           HE2      PHE  24   1.925   5.970   5.436
  177    HZ   PHE  24           HZ       PHE  24  -0.153   4.755   4.984
  178    H    ASN  25           H        ASN  25   0.567   8.946   2.070
  179    HA   ASN  25           HA       ASN  25   2.577  10.719   3.214
  180   1HB   ASN  25          1HB       ASN  25  -0.113  11.760   3.607
  181   2HB   ASN  25          2HB       ASN  25   1.245  12.534   2.815
  182   2HD2  ASN  25          2HD2      ASN  25   1.758  11.711   0.587
  183   1HD2  ASN  25          1HD2      ASN  25   0.435  11.417  -0.492
  184    H    HIS  26           H        HIS  26   2.783  10.390   5.444
  185    HA   HIS  26           HA       HIS  26   1.093   8.468   6.683
  186   1HB   HIS  26          1HB       HIS  26   3.574   9.953   7.340
  187   2HB   HIS  26          2HB       HIS  26   2.586   9.491   8.712
  188    HD1  HIS  26           HD1      HIS  26   4.668   8.032   5.926
  189    HD2  HIS  26           HD2      HIS  26   2.476   6.720   9.253
  190    HE1  HIS  26           HE1      HIS  26   5.292   5.583   6.273
  191    H    SER  27           H        SER  27   1.046  11.918   6.239
  192    HA   SER  27           HA       SER  27  -0.547  12.342   8.590
  193   1HB   SER  27          1HB       SER  27  -0.630  14.726   7.702
  194   2HB   SER  27          2HB       SER  27   0.975  14.120   8.058
  195    HG   SER  27           HG       SER  27  -0.011  13.734   5.411
  196    H    THR  28           H        THR  28  -1.313  10.622   6.083
  197    HA   THR  28           HA       THR  28  -3.825  12.031   5.464
  198    HB   THR  28           HB       THR  28  -2.208   9.951   3.898
  199    HG1  THR  28           HG1      THR  28  -2.970  12.757   3.483
  200   1HG2  THR  28          1HG2      THR  28  -4.993  10.948   3.635
  201   2HG2  THR  28          2HG2      THR  28  -4.005  11.221   2.180
  202   3HG2  THR  28          3HG2      THR  28  -4.207   9.574   2.822
  203    H    HIS  29           H        HIS  29  -2.310   9.012   6.612
  204    HA   HIS  29           HA       HIS  29  -4.999   7.950   7.032
  205   1HB   HIS  29          1HB       HIS  29  -2.325   6.527   7.126
  206   2HB   HIS  29          2HB       HIS  29  -3.899   5.777   7.304
  207    HD1  HIS  29           HD1      HIS  29  -1.695   7.448   4.707
  208    HD2  HIS  29           HD2      HIS  29  -5.252   5.235   4.920
  209    HE1  HIS  29           HE1      HIS  29  -2.305   6.842   2.305
  210    H    LYS  30           H        LYS  30  -3.609  10.137   8.613
  211    HA   LYS  30           HA       LYS  30  -2.633   9.154  11.008
  212   1HB   LYS  30          1HB       LYS  30  -2.986  11.363  11.861
  213   2HB   LYS  30          2HB       LYS  30  -2.474  11.499  10.191
  214   1HG   LYS  30          1HG       LYS  30  -4.713  11.983   9.432
  215   2HG   LYS  30          2HG       LYS  30  -5.423  11.469  10.949
  216   1HD   LYS  30          1HD       LYS  30  -3.471  13.553  11.484
  217   2HD   LYS  30          2HD       LYS  30  -4.551  14.100  10.217
  218   1HE   LYS  30          1HE       LYS  30  -5.993  14.643  11.899
  219   2HE   LYS  30          2HE       LYS  30  -6.332  12.927  12.000
  220   1HZ   LYS  30          1HZ       LYS  30  -4.226  14.305  13.517
  221   2HZ   LYS  30          2HZ       LYS  30  -5.678  13.858  14.116
  222   3HZ   LYS  30          3HZ       LYS  30  -4.607  12.722  13.638
  223    H    ASP  31           H        ASP  31  -5.834   9.036   9.654
  224    HA   ASP  31           HA       ASP  31  -7.110   8.860  12.199
  225   1HB   ASP  31          1HB       ASP  31  -8.539   9.744  10.557
  226   2HB   ASP  31          2HB       ASP  31  -7.936   8.675   9.306
  227    H    VAL  32           H        VAL  32  -5.092   6.851  10.432
  228    HA   VAL  32           HA       VAL  32  -6.507   4.424  11.296
  229    HB   VAL  32           HB       VAL  32  -4.413   4.629   9.134
  230   1HG1  VAL  32          1HG1      VAL  32  -5.727   2.453  10.437
  231   2HG1  VAL  32          2HG1      VAL  32  -6.302   2.518   8.754
  232   3HG1  VAL  32          3HG1      VAL  32  -4.558   2.406   9.095
  233   1HG2  VAL  32          1HG2      VAL  32  -7.305   5.294   9.048
  234   2HG2  VAL  32          2HG2      VAL  32  -5.966   5.840   8.010
  235   3HG2  VAL  32          3HG2      VAL  32  -6.705   4.244   7.742
  236    H    LYS  33           H        LYS  33  -5.517   3.136  12.793
  237    HA   LYS  33           HA       LYS  33  -3.407   4.096  14.279
  238   1HB   LYS  33          1HB       LYS  33  -4.383   1.241  13.963
  239   2HB   LYS  33          2HB       LYS  33  -3.335   1.814  15.245
  240   1HG   LYS  33          1HG       LYS  33  -5.859   3.375  14.821
  241   2HG   LYS  33          2HG       LYS  33  -6.059   1.750  15.446
  242   1HD   LYS  33          1HD       LYS  33  -3.937   3.467  16.719
  243   2HD   LYS  33          2HD       LYS  33  -5.608   3.868  17.062
  244   1HE   LYS  33          1HE       LYS  33  -5.419   2.287  18.710
  245   2HE   LYS  33          2HE       LYS  33  -5.687   1.142  17.411
  246   1HZ   LYS  33          1HZ       LYS  33  -2.971   2.005  17.698
  247   2HZ   LYS  33          2HZ       LYS  33  -3.544   1.151  18.966
  248   3HZ   LYS  33          3HZ       LYS  33  -3.569   0.503  17.468
  249    H    CYS  34           H        CYS  34  -1.196   3.153  14.563
  250    HA   CYS  34           HA       CYS  34   0.101   3.125  12.049
  251   1HB   CYS  34          1HB       CYS  34   1.351   2.385  14.690
  252   2HB   CYS  34          2HB       CYS  34   2.131   3.040  13.264
  253    H    ASP  35           H        ASP  35  -0.766   0.717  14.592
  254    HA   ASP  35           HA       ASP  35   0.641  -1.395  13.467
  255   1HB   ASP  35          1HB       ASP  35  -0.937  -2.816  14.846
  256   2HB   ASP  35          2HB       ASP  35  -0.142  -1.543  15.751
  257    H    ASP  36           H        ASP  36  -2.060   0.373  12.350
  258    HA   ASP  36           HA       ASP  36  -3.690  -1.635  11.361
  259   1HB   ASP  36          1HB       ASP  36  -3.951   1.013  11.534
  260   2HB   ASP  36          2HB       ASP  36  -3.299   0.994   9.908
  261    H    CYS  37           H        CYS  37  -0.533  -0.472  10.449
  262    HA   CYS  37           HA       CYS  37  -0.728  -1.980   7.949
  263   1HB   CYS  37          1HB       CYS  37   0.647   0.695   8.347
  264   2HB   CYS  37          2HB       CYS  37   0.907  -0.338   6.956
  265    H    HIS  38           H        HIS  38   1.392  -0.489  10.493
  266    HA   HIS  38           HA       HIS  38   3.538  -2.264   9.889
  267   1HB   HIS  38          1HB       HIS  38   3.098  -0.379  12.222
  268   2HB   HIS  38          2HB       HIS  38   4.593  -1.226  11.878
  269    HD1  HIS  38           HD1      HIS  38   5.736  -0.596   9.460
  270    HD2  HIS  38           HD2      HIS  38   2.835   2.044  10.947
  271    HE1  HIS  38           HE1      HIS  38   6.045   1.595   8.189
  272    H    HIS  39           H        HIS  39   2.219  -4.287  10.022
  273    HA   HIS  39           HA       HIS  39   1.355  -5.019  12.667
  274   1HB   HIS  39          1HB       HIS  39   0.361  -6.890  11.667
  275   2HB   HIS  39          2HB       HIS  39   0.140  -5.588  10.516
  276    HD1  HIS  39           HD1      HIS  39   1.620  -8.958  10.883
  277    HD2  HIS  39           HD2      HIS  39   1.901  -5.750   8.196
  278    HE1  HIS  39           HE1      HIS  39   2.717  -9.886   8.775
  279    H    GLN  40           H        GLN  40   3.725  -6.288  10.216
  280    HA   GLN  40           HA       GLN  40   5.045  -7.643  12.413
  281   1HB   GLN  40          1HB       GLN  40   4.529  -8.304   9.668
  282   2HB   GLN  40          2HB       GLN  40   6.267  -8.188   9.852
  283   1HG   GLN  40          1HG       GLN  40   5.267 -10.491  10.340
  284   2HG   GLN  40          2HG       GLN  40   6.310  -9.846  11.593
  285   2HE2  GLN  40          2HE2      GLN  40   3.016 -10.472  10.601
  286   1HE2  GLN  40          1HE2      GLN  40   2.264 -10.368  12.158
  287    HA   PRO  41           HA       PRO  41   8.053  -4.341  12.127
  288   1HB   PRO  41          1HB       PRO  41   8.953  -4.465  14.653
  289   2HB   PRO  41          2HB       PRO  41   7.260  -3.967  14.331
  290   1HG   PRO  41          2HG       PRO  41   8.175  -6.851  15.187
  291   2HG   PRO  41          1HG       PRO  41   6.877  -5.746  15.745
  292   1HD   PRO  41          1HD       PRO  41   6.651  -7.788  13.760
  293   2HD   PRO  41          2HD       PRO  41   5.495  -6.446  14.015
  294    H    GLY  42           H        GLY  42   9.676  -5.110  10.702
  295   1HA   GLY  42          2HA       GLY  42  11.628  -6.063  10.123
  296   2HA   GLY  42          1HA       GLY  42  11.014  -7.515  10.891
  297    H    ASP  43           H        ASP  43  12.187  -4.255  12.025
  298    HA   ASP  43           HA       ASP  43  13.930  -5.735  13.835
  299   1HB   ASP  43          1HB       ASP  43  14.613  -3.854  11.888
  300   2HB   ASP  43          2HB       ASP  43  14.552  -2.875  13.340
  301    H    LYS  44           H        LYS  44  11.712  -2.953  13.301
  302    HA   LYS  44           HA       LYS  44  11.237  -2.863  16.172
  303   1HB   LYS  44          1HB       LYS  44  12.080  -0.482  14.501
  304   2HB   LYS  44          2HB       LYS  44  11.287  -0.334  16.056
  305   1HG   LYS  44          1HG       LYS  44  13.103  -1.341  17.226
  306   2HG   LYS  44          2HG       LYS  44  13.753  -2.080  15.777
  307   1HD   LYS  44          1HD       LYS  44  15.021  -0.252  15.318
  308   2HD   LYS  44          2HD       LYS  44  13.634   0.813  15.432
  309   1HE   LYS  44          1HE       LYS  44  14.181   1.484  17.545
  310   2HE   LYS  44          2HE       LYS  44  14.477  -0.157  18.083
  311   1HZ   LYS  44          1HZ       LYS  44  16.354   1.443  16.483
  312   2HZ   LYS  44          2HZ       LYS  44  16.471   1.184  18.091
  313   3HZ   LYS  44          3HZ       LYS  44  16.629  -0.064  17.050
  314    H    GLN  45           H        GLN  45   9.244  -1.309  16.558
  315    HA   GLN  45           HA       GLN  45   7.075  -2.396  15.540
  316   1HB   GLN  45          1HB       GLN  45   6.920  -0.768  17.313
  317   2HB   GLN  45          2HB       GLN  45   7.540   0.514  16.292
  318   1HG   GLN  45          2HG       GLN  45   5.180   0.875  16.355
  319   2HG   GLN  45          1HG       GLN  45   5.478   0.150  14.787
  320   2HE2  GLN  45          2HE2      GLN  45   2.998   0.049  15.717
  321   1HE2  GLN  45          1HE2      GLN  45   2.543  -1.541  16.235
  322    H    TYR  46           H        TYR  46   9.162  -0.082  13.944
  323    HA   TYR  46           HA       TYR  46   7.416  -0.196  11.528
  324   1HB   TYR  46          1HB       TYR  46   9.401   1.990  12.189
  325   2HB   TYR  46          2HB       TYR  46   8.117   2.004  10.969
  326    HD1  TYR  46           HD1      TYR  46   5.708   2.086  11.713
  327    HD2  TYR  46           HD2      TYR  46   8.989   2.678  14.421
  328    HE1  TYR  46           HE1      TYR  46   4.171   3.149  13.344
  329    HE2  TYR  46           HE2      TYR  46   7.452   3.741  16.052
  330    HH   TYR  46           HH       TYR  46   5.040   3.835  16.606
  331    H    ALA  47           H        ALA  47   8.314  -1.275   9.793
  332    HA   ALA  47           HA       ALA  47  11.177  -1.094   9.422
  333   1HB   ALA  47          1HB       ALA  47  10.213  -3.214  10.902
  334   2HB   ALA  47          3HB       ALA  47  10.216  -3.882   9.253
  335   3HB   ALA  47          2HB       ALA  47  11.718  -3.230   9.951
  336    H    GLY  48           H        GLY  48  11.584  -2.766   7.345
  337   1HA   GLY  48          2HA       GLY  48  11.340  -2.707   5.092
  338   2HA   GLY  48          1HA       GLY  48  10.025  -1.561   5.259
  339    H    CYS  49           H        CYS  49   8.573  -2.577   3.821
  340    HA   CYS  49           HA       CYS  49   7.176  -4.794   4.960
  341   1HB   CYS  49          1HB       CYS  49   6.694  -3.471   2.288
  342   2HB   CYS  49          2HB       CYS  49   5.582  -4.476   3.196
  343    H    THR  50           H        THR  50   9.472  -4.098   2.302
  344    HA   THR  50           HA       THR  50   9.241  -6.820   1.293
  345    HB   THR  50           HB       THR  50  10.522  -5.954  -0.565
  346    HG1  THR  50           HG1      THR  50  11.125  -3.986   1.502
  347   1HG2  THR  50          1HG2      THR  50   8.165  -4.740   0.029
  348   2HG2  THR  50          2HG2      THR  50   9.248  -3.341   0.223
  349   3HG2  THR  50          3HG2      THR  50   9.180  -4.204  -1.332
  350    H    THR  51           H        THR  51  10.293  -6.096   4.075
  351    HA   THR  51           HA       THR  51  13.085  -6.558   4.015
  352    HB   THR  51           HB       THR  51  11.080  -7.048   6.276
  353    HG1  THR  51           HG1      THR  51  11.275  -4.753   6.531
  354   1HG2  THR  51          1HG2      THR  51  13.560  -7.642   6.636
  355   2HG2  THR  51          2HG2      THR  51  13.925  -5.926   6.331
  356   3HG2  THR  51          3HG2      THR  51  12.920  -6.388   7.726
  357    H    ASP  52           H        ASP  52  14.245  -8.448   4.816
  358    HA   ASP  52           HA       ASP  52  13.618 -10.675   3.396
  359   1HB   ASP  52          1HB       ASP  52  15.453  -9.964   5.614
  360   2HB   ASP  52          2HB       ASP  52  15.048 -11.668   5.582
  361    H    GLY  53           H        GLY  53  12.847 -12.851   4.137
  362   1HA   GLY  53          2HA       GLY  53  11.864 -13.436   6.664
  363   2HA   GLY  53          1HA       GLY  53  11.375 -14.201   5.165
  364    H    CYS  54           H        CYS  54  10.561 -11.345   4.151
  365    HA   CYS  54           HA       CYS  54   7.943 -11.431   5.444
  366   1HB   CYS  54          1HB       CYS  54   9.334  -8.828   4.755
  367   2HB   CYS  54          2HB       CYS  54   7.809  -9.037   5.593
  368    H    HIS  55           H        HIS  55   7.642  -8.830   3.589
  369    HA   HIS  55           HA       HIS  55   6.774 -10.378   1.316
  370   1HB   HIS  55          1HB       HIS  55   6.496  -7.398   1.736
  371   2HB   HIS  55          2HB       HIS  55   5.566  -8.425   0.663
  372    HD1  HIS  55           HD1      HIS  55   3.937 -10.230   1.908
  373    HD2  HIS  55           HD2      HIS  55   5.435  -7.099   4.264
  374    HE1  HIS  55           HE1      HIS  55   2.466 -10.135   3.990
  375    H    ASN  56           H        ASN  56   9.533 -10.532   1.525
  376    HA   ASN  56           HA       ASN  56  10.677  -8.451  -0.051
  377   1HB   ASN  56          1HB       ASN  56  11.994  -9.602   1.729
  378   2HB   ASN  56          2HB       ASN  56  11.791 -11.139   0.912
  379   2HD2  ASN  56          2HD2      ASN  56  14.197  -9.617   1.620
  380   1HD2  ASN  56          1HD2      ASN  56  15.101  -9.385   0.161
  381    H    ILE  57           H        ILE  57   8.973  -8.977  -1.854
  382    HA   ILE  57           HA       ILE  57  10.158 -10.974  -3.636
  383    HB   ILE  57           HB       ILE  57   7.204 -10.643  -3.097
  384   1HG1  ILE  57          1HG1      ILE  57   8.749 -11.888  -1.398
  385   2HG1  ILE  57          2HG1      ILE  57   7.222 -12.596  -1.886
  386   1HG2  ILE  57          1HG2      ILE  57   8.744 -11.981  -5.259
  387   2HG2  ILE  57          2HG2      ILE  57   7.358 -12.869  -4.580
  388   3HG2  ILE  57          3HG2      ILE  57   7.122 -11.249  -5.279
  389   1HD1  ILE  57          1HD1      ILE  57   9.524 -13.281  -3.650
  390   2HD1  ILE  57          2HD1      ILE  57   9.623 -13.916  -1.990
  391   3HD1  ILE  57          3HD1      ILE  57   8.226 -14.321  -3.017
  392    H    LEU  58           H        LEU  58  11.007  -9.783  -5.259
  393    HA   LEU  58           HA       LEU  58   9.508  -7.404  -6.082
  394   1HB   LEU  58          2HB       LEU  58  12.386  -8.169  -6.596
  395   2HB   LEU  58          1HB       LEU  58  11.607  -6.687  -7.112
  396    HG   LEU  58           HG       LEU  58  12.206  -7.549  -4.273
  397   1HD1  LEU  58          1HD1      LEU  58  14.123  -6.679  -5.510
  398   2HD1  LEU  58          2HD1      LEU  58  13.204  -5.212  -5.925
  399   3HD1  LEU  58          3HD1      LEU  58  13.620  -5.552  -4.228
  400   1HD2  LEU  58          1HD2      LEU  58  10.243  -5.599  -5.298
  401   2HD2  LEU  58          2HD2      LEU  58  10.335  -6.432  -3.728
  402   3HD2  LEU  58          3HD2      LEU  58  11.330  -4.988  -4.028
  403    H    ASP  59           H        ASP  59   8.822 -10.271  -6.715
  404    HA   ASP  59           HA       ASP  59   9.235 -10.100  -9.596
  405   1HB   ASP  59          1HB       ASP  59   9.649 -12.243  -7.761
  406   2HB   ASP  59          2HB       ASP  59   8.206 -12.671  -8.660
  407    H    LYS  60           H        LYS  60   7.312  -8.577  -9.582
  408    HA   LYS  60           HA       LYS  60   4.877  -9.012  -8.515
  409   1HB   LYS  60          1HB       LYS  60   5.815  -7.110 -10.034
  410   2HB   LYS  60          2HB       LYS  60   5.129  -8.036 -11.353
  411   1HG   LYS  60          1HG       LYS  60   3.062  -8.042  -9.469
  412   2HG   LYS  60          2HG       LYS  60   3.763  -6.450  -9.259
  413   1HD   LYS  60          2HD       LYS  60   2.456  -5.853 -11.036
  414   2HD   LYS  60          1HD       LYS  60   3.696  -6.615 -12.012
  415   1HE   LYS  60          1HE       LYS  60   2.395  -8.827 -11.712
  416   2HE   LYS  60          2HE       LYS  60   1.095  -7.869 -11.030
  417   1HZ   LYS  60          1HZ       LYS  60   1.820  -6.601 -13.339
  418   2HZ   LYS  60          2HZ       LYS  60   1.809  -8.188 -13.724
  419   3HZ   LYS  60          3HZ       LYS  60   0.473  -7.491 -13.093
  420    H    ALA  61           H        ALA  61   2.857  -9.956  -9.293
  421    HA   ALA  61           HA       ALA  61   1.644 -11.637 -10.064
  422   1HB   ALA  61          1HB       ALA  61   2.224 -12.524 -12.359
  423   2HB   ALA  61          3HB       ALA  61   2.089 -10.752 -12.266
  424   3HB   ALA  61          2HB       ALA  61   3.694 -11.522 -12.309
  425    H    ASP  62           H        ASP  62   3.097 -12.371  -7.954
  426    HA   ASP  62           HA       ASP  62   4.422 -14.831  -8.773
  427   1HB   ASP  62          1HB       ASP  62   5.668 -13.082  -7.359
  428   2HB   ASP  62          2HB       ASP  62   4.547 -13.440  -6.061
  429    H    LYS  63           H        LYS  63   4.202 -16.532  -6.735
  430    HA   LYS  63           HA       LYS  63   1.384 -16.479  -5.905
  431   1HB   LYS  63          1HB       LYS  63   2.996 -18.677  -7.168
  432   2HB   LYS  63          2HB       LYS  63   1.717 -19.084  -6.043
  433   1HG   LYS  63          1HG       LYS  63   0.065 -18.494  -7.513
  434   2HG   LYS  63          2HG       LYS  63   0.891 -17.028  -8.002
  435   1HD   LYS  63          1HD       LYS  63   2.531 -18.634  -9.284
  436   2HD   LYS  63          2HD       LYS  63   1.285 -19.847  -9.065
  437   1HE   LYS  63          1HE       LYS  63  -0.233 -17.741  -9.989
  438   2HE   LYS  63          2HE       LYS  63   1.283 -17.420 -10.807
  439   1HZ   LYS  63          1HZ       LYS  63   0.536 -20.164 -10.884
  440   2HZ   LYS  63          2HZ       LYS  63  -0.560 -19.192 -11.606
  441   3HZ   LYS  63          3HZ       LYS  63   0.996 -19.177 -12.101
  442    H    SER  64           H        SER  64   2.045 -15.450  -3.918
  443    HA   SER  64           HA       SER  64   2.565 -17.283  -1.914
  444   1HB   SER  64          1HB       SER  64   4.951 -15.937  -3.071
  445   2HB   SER  64          2HB       SER  64   4.836 -15.821  -1.327
  446    HG   SER  64           HG       SER  64   4.273 -18.332  -1.711
  447    H    VAL  65           H        VAL  65   2.648 -16.172   0.270
  448    HA   VAL  65           HA       VAL  65   1.090 -13.749   0.130
  449    HB   VAL  65           HB       VAL  65   0.383 -15.482   1.618
  450   1HG1  VAL  65          1HG1      VAL  65   3.249 -15.486   2.456
  451   2HG1  VAL  65          2HG1      VAL  65   2.024 -15.842   3.698
  452   3HG1  VAL  65          3HG1      VAL  65   2.117 -16.841   2.227
  453   1HG2  VAL  65          1HG2      VAL  65   0.469 -12.921   2.310
  454   2HG2  VAL  65          2HG2      VAL  65  -0.108 -14.170   3.439
  455   3HG2  VAL  65          3HG2      VAL  65   1.552 -13.543   3.578
  456    H    ASN  66           H        ASN  66   4.244 -14.233  -0.371
  457    HA   ASN  66           HA       ASN  66   5.129 -12.175   1.467
  458   1HB   ASN  66          1HB       ASN  66   6.739 -13.904  -0.486
  459   2HB   ASN  66          2HB       ASN  66   7.425 -12.819   0.707
  460   2HD2  ASN  66          2HD2      ASN  66   6.520 -13.167   2.991
  461   1HD2  ASN  66          1HD2      ASN  66   6.458 -14.802   3.560
  462    H    SER  67           H        SER  67   3.518 -12.213  -1.346
  463    HA   SER  67           HA       SER  67   5.244 -10.766  -3.049
  464   1HB   SER  67          1HB       SER  67   2.938 -10.312  -4.237
  465   2HB   SER  67          2HB       SER  67   3.605 -11.932  -4.234
  466    HG   SER  67           HG       SER  67   1.344 -11.908  -3.634
  467    H    TRP  68           H        TRP  68   5.389  -8.518  -3.377
  468    HA   TRP  68           HA       TRP  68   4.077  -6.912  -1.321
  469   1HB   TRP  68          1HB       TRP  68   6.359  -6.531  -1.257
  470   2HB   TRP  68          2HB       TRP  68   6.539  -6.601  -2.999
  471    HD1  TRP  68           HD1      TRP  68   6.768  -4.260  -4.139
  472    HE1  TRP  68           HE1      TRP  68   6.270  -1.731  -3.575
  473    HE3  TRP  68           HE3      TRP  68   4.470  -5.158   0.308
  474    HZ2  TRP  68           HZ2      TRP  68   5.000  -0.419  -1.381
  475    HZ3  TRP  68           HZ3      TRP  68   3.630  -3.197   1.598
  476    HH2  TRP  68           HH2      TRP  68   3.865  -0.892   0.820
  477    H    TYR  69           H        TYR  69   2.985  -8.144  -3.920
  478    HA   TYR  69           HA       TYR  69   1.937  -5.603  -5.077
  479   1HB   TYR  69          1HB       TYR  69   3.364  -6.627  -6.707
  480   2HB   TYR  69          2HB       TYR  69   2.668  -8.228  -6.405
  481    HD1  TYR  69           HD1      TYR  69   0.191  -8.588  -6.984
  482    HD2  TYR  69           HD2      TYR  69   2.480  -5.229  -8.373
  483    HE1  TYR  69           HE1      TYR  69  -1.459  -8.213  -8.797
  484    HE2  TYR  69           HE2      TYR  69   0.830  -4.854 -10.186
  485    HH   TYR  69           HH       TYR  69  -1.358  -5.391 -10.904
  486    H    LYS  70           H        LYS  70   1.235  -8.412  -3.251
  487    HA   LYS  70           HA       LYS  70  -1.509  -8.476  -4.268
  488   1HB   LYS  70          1HB       LYS  70  -0.065 -10.587  -4.065
  489   2HB   LYS  70          2HB       LYS  70  -0.248 -10.423  -2.331
  490   1HG   LYS  70          1HG       LYS  70  -2.868 -10.084  -3.309
  491   2HG   LYS  70          2HG       LYS  70  -2.203 -11.339  -4.336
  492   1HD   LYS  70          2HD       LYS  70  -2.319 -11.351  -1.286
  493   2HD   LYS  70          1HD       LYS  70  -3.230 -12.381  -2.372
  494   1HE   LYS  70          1HE       LYS  70  -1.330 -13.664  -2.974
  495   2HE   LYS  70          2HE       LYS  70  -0.204 -12.400  -2.520
  496   1HZ   LYS  70          1HZ       LYS  70  -1.900 -13.749  -0.547
  497   2HZ   LYS  70          2HZ       LYS  70  -0.420 -14.307  -0.953
  498   3HZ   LYS  70          3HZ       LYS  70  -0.577 -12.832  -0.270
  499    H    VAL  71           H        VAL  71   0.502  -8.007  -1.315
  500    HA   VAL  71           HA       VAL  71  -1.672  -7.617   0.418
  501    HB   VAL  71           HB       VAL  71   0.057  -6.568   1.867
  502   1HG1  VAL  71          1HG1      VAL  71  -0.308  -9.191   1.236
  503   2HG1  VAL  71          2HG1      VAL  71   1.427  -9.003   0.889
  504   3HG1  VAL  71          3HG1      VAL  71   0.795  -8.608   2.505
  505   1HG2  VAL  71          1HG2      VAL  71   1.368  -5.564  -0.039
  506   2HG2  VAL  71          2HG2      VAL  71   2.346  -6.408   1.185
  507   3HG2  VAL  71          3HG2      VAL  71   2.001  -7.193  -0.375
  508    H    VAL  72           H        VAL  72  -0.668  -5.829  -2.274
  509    HA   VAL  72           HA       VAL  72  -1.634  -3.322  -1.101
  510    HB   VAL  72           HB       VAL  72   0.025  -3.932  -3.551
  511   1HG1  VAL  72          1HG1      VAL  72  -1.569  -2.077  -3.980
  512   2HG1  VAL  72          2HG1      VAL  72  -0.914  -1.217  -2.567
  513   3HG1  VAL  72          3HG1      VAL  72   0.129  -1.542  -3.972
  514   1HG2  VAL  72          1HG2      VAL  72   0.914  -3.844  -1.035
  515   2HG2  VAL  72          2HG2      VAL  72   1.859  -3.196  -2.398
  516   3HG2  VAL  72          3HG2      VAL  72   0.912  -2.095  -1.368
  517    H    HIS  73           H        HIS  73  -1.876  -5.399  -4.071
  518    HA   HIS  73           HA       HIS  73  -4.405  -4.094  -4.655
  519   1HB   HIS  73          2HB       HIS  73  -2.893  -6.132  -6.309
  520   2HB   HIS  73          1HB       HIS  73  -4.238  -5.137  -6.829
  521    HD1  HIS  73           HD1      HIS  73  -0.549  -4.948  -6.015
  522    HD2  HIS  73           HD2      HIS  73  -3.586  -2.506  -7.568
  523    HE1  HIS  73           HE1      HIS  73   0.610  -2.882  -6.963
  524    H    ASP  74           H        ASP  74  -3.987  -5.941  -2.317
  525    HA   ASP  74           HA       ASP  74  -5.170  -8.393  -3.034
  526   1HB   ASP  74          1HB       ASP  74  -4.069  -7.111  -0.664
  527   2HB   ASP  74          2HB       ASP  74  -5.607  -7.844  -0.255
  528    H    ALA  75           H        ALA  75  -7.294  -8.296  -3.846
  529    HA   ALA  75           HA       ALA  75  -9.138  -6.362  -2.734
  530   1HB   ALA  75          1HB       ALA  75  -9.025  -8.212  -5.098
  531   2HB   ALA  75          3HB       ALA  75 -10.621  -7.681  -4.514
  532   3HB   ALA  75          2HB       ALA  75  -9.416  -6.476  -5.027
  533    H    LYS  76           H        LYS  76  -7.977  -9.378  -1.832
  534    HA   LYS  76           HA       LYS  76 -10.581 -10.291  -0.868
  535   1HB   LYS  76          1HB       LYS  76  -8.955 -11.789  -2.178
  536   2HB   LYS  76          2HB       LYS  76  -7.966 -11.799  -0.733
  537   1HG   LYS  76          1HG       LYS  76 -10.239 -12.441   0.487
  538   2HG   LYS  76          2HG       LYS  76 -10.758 -12.908  -1.120
  539   1HD   LYS  76          1HD       LYS  76  -8.058 -13.884  -0.216
  540   2HD   LYS  76          2HD       LYS  76  -9.463 -14.612   0.538
  541   1HE   LYS  76          1HE       LYS  76  -9.852 -15.878  -1.304
  542   2HE   LYS  76          2HE       LYS  76  -9.954 -14.448  -2.310
  543   1HZ   LYS  76          1HZ       LYS  76  -7.345 -15.456  -1.483
  544   2HZ   LYS  76          2HZ       LYS  76  -8.122 -16.140  -2.746
  545   3HZ   LYS  76          3HZ       LYS  76  -7.728 -14.556  -2.790
  546    H    GLY  77           H        GLY  77 -10.945 -10.719   1.372
  547   1HA   GLY  77          2HA       GLY  77 -10.856 -10.158   3.548
  548   2HA   GLY  77          1HA       GLY  77  -9.813  -8.817   3.117
  549    H    GLY  78           H        GLY  78  -9.480 -10.349   5.511
  550   1HA   GLY  78          2HA       GLY  78  -6.758 -11.309   5.068
  551   2HA   GLY  78          1HA       GLY  78  -7.907 -12.461   5.717
  552    H    ALA  79           H        ALA  79  -5.796 -11.934   7.329
  553    HA   ALA  79           HA       ALA  79  -6.850 -11.222   9.715
  554   1HB   ALA  79          1HB       ALA  79  -4.772 -11.772  10.379
  555   2HB   ALA  79          3HB       ALA  79  -4.070 -10.376   9.527
  556   3HB   ALA  79          2HB       ALA  79  -4.331 -11.909   8.661
  557    H    LYS  80           H        LYS  80  -5.866  -9.120   7.057
  558    HA   LYS  80           HA       LYS  80  -7.023  -6.885   8.429
  559   1HB   LYS  80          1HB       LYS  80  -4.768  -5.580   7.830
  560   2HB   LYS  80          2HB       LYS  80  -5.064  -6.297   9.400
  561   1HG   LYS  80          1HG       LYS  80  -3.879  -8.385   8.654
  562   2HG   LYS  80          2HG       LYS  80  -3.558  -7.636   7.103
  563   1HD   LYS  80          1HD       LYS  80  -2.569  -6.634   9.814
  564   2HD   LYS  80          2HD       LYS  80  -1.593  -7.425   8.593
  565   1HE   LYS  80          1HE       LYS  80  -2.131  -5.541   6.993
  566   2HE   LYS  80          2HE       LYS  80  -3.015  -4.738   8.275
  567   1HZ   LYS  80          1HZ       LYS  80  -0.217  -5.538   8.608
  568   2HZ   LYS  80          2HZ       LYS  80  -0.632  -4.094   7.967
  569   3HZ   LYS  80          3HZ       LYS  80  -1.069  -4.465   9.497
  570    HA   PRO  81           HA       PRO  81  -8.006  -5.766   4.324
  571   1HB   PRO  81          1HB       PRO  81  -8.132  -3.024   4.515
  572   2HB   PRO  81          2HB       PRO  81  -9.304  -4.115   5.323
  573   1HG   PRO  81          1HG       PRO  81  -6.995  -2.806   6.268
  574   2HG   PRO  81          2HG       PRO  81  -8.519  -2.862   7.213
  575   1HD   PRO  81          1HD       PRO  81  -6.411  -4.466   7.837
  576   2HD   PRO  81          2HD       PRO  81  -8.082  -5.104   7.909
  577    H    THR  82           H        THR  82  -7.249  -3.720   2.655
  578    HA   THR  82           HA       THR  82  -4.332  -3.561   2.817
  579    HB   THR  82           HB       THR  82  -4.294  -4.256   0.354
  580    HG1  THR  82           HG1      THR  82  -6.420  -5.545  -0.037
  581   1HG2  THR  82          1HG2      THR  82  -4.617  -5.955   2.668
  582   2HG2  THR  82          2HG2      THR  82  -5.559  -6.662   1.333
  583   3HG2  THR  82          3HG2      THR  82  -3.818  -6.350   1.128
  584    H    CYS  83           H        CYS  83  -3.918  -2.352   0.311
  585    HA   CYS  83           HA       CYS  83  -4.832   0.262   0.970
  586   1HB   CYS  83          1HB       CYS  83  -3.423  -0.468  -1.583
  587   2HB   CYS  83          2HB       CYS  83  -3.383   1.042  -0.693
  588    H    ILE  84           H        ILE  84  -6.289  -2.383  -0.482
  589    HA   ILE  84           HA       ILE  84  -7.836  -0.682  -2.311
  590    HB   ILE  84           HB       ILE  84  -6.962  -3.538  -2.432
  591   1HG1  ILE  84          1HG1      ILE  84  -5.716  -1.707  -3.590
  592   2HG1  ILE  84          2HG1      ILE  84  -6.291  -2.979  -4.649
  593   1HG2  ILE  84          1HG2      ILE  84  -9.581  -2.455  -3.360
  594   2HG2  ILE  84          2HG2      ILE  84  -8.707  -3.572  -4.435
  595   3HG2  ILE  84          3HG2      ILE  84  -9.144  -4.083  -2.787
  596   1HD1  ILE  84          1HD1      ILE  84  -8.443  -1.254  -4.703
  597   2HD1  ILE  84          2HD1      ILE  84  -7.083  -0.119  -4.526
  598   3HD1  ILE  84          3HD1      ILE  84  -7.123  -1.253  -5.898
  599    H    SER  85           H        SER  85  -7.957  -3.292   0.180
  600    HA   SER  85           HA       SER  85 -10.656  -3.603   0.271
  601   1HB   SER  85          1HB       SER  85  -8.573  -4.662   1.630
  602   2HB   SER  85          2HB       SER  85  -9.154  -3.572   2.874
  603    HG   SER  85           HG       SER  85 -11.359  -4.579   2.381
  604    H    CYS  86           H        CYS  86  -8.651  -1.461   2.438
  605    HA   CYS  86           HA       CYS  86 -10.823  -0.218   3.626
  606   1HB   CYS  86          1HB       CYS  86  -8.349  -0.230   4.340
  607   2HB   CYS  86          2HB       CYS  86  -8.133   1.105   3.226
  608    H    HIS  87           H        HIS  87  -8.610   0.934   0.968
  609    HA   HIS  87           HA       HIS  87  -9.848   3.267   0.379
  610   1HB   HIS  87          1HB       HIS  87  -8.339   1.264  -1.272
  611   2HB   HIS  87          2HB       HIS  87  -9.068   2.649  -2.060
  612    HD1  HIS  87           HD1      HIS  87  -6.759   3.694  -2.633
  613    HD2  HIS  87           HD2      HIS  87  -7.423   3.154   1.473
  614    HE1  HIS  87           HE1      HIS  87  -4.924   5.000  -1.435
  615    H    LYS  88           H        LYS  88 -10.838  -0.062  -0.501
  616    HA   LYS  88           HA       LYS  88 -12.790   0.647  -2.367
  617   1HB   LYS  88          1HB       LYS  88 -12.083  -1.752  -0.759
  618   2HB   LYS  88          2HB       LYS  88 -13.725  -1.684  -1.368
  619   1HG   LYS  88          1HG       LYS  88 -12.856  -1.267  -3.676
  620   2HG   LYS  88          2HG       LYS  88 -11.213  -1.324  -3.071
  621   1HD   LYS  88          1HD       LYS  88 -11.190  -3.604  -3.029
  622   2HD   LYS  88          2HD       LYS  88 -12.747  -3.689  -2.230
  623   1HE   LYS  88          1HE       LYS  88 -13.947  -3.740  -4.250
  624   2HE   LYS  88          2HE       LYS  88 -12.701  -2.887  -5.140
  625   1HZ   LYS  88          1HZ       LYS  88 -11.505  -5.175  -4.307
  626   2HZ   LYS  88          2HZ       LYS  88 -13.004  -5.663  -4.735
  627   3HZ   LYS  88          3HZ       LYS  88 -12.064  -4.873  -5.812
  628    H    ASP  89           H        ASP  89 -12.936   0.152   1.214
  629    HA   ASP  89           HA       ASP  89 -15.627   0.441   1.495
  630   1HB   ASP  89          1HB       ASP  89 -13.619   0.007   3.208
  631   2HB   ASP  89          2HB       ASP  89 -13.740   1.734   3.476
  632    H    LYS  90           H        LYS  90 -12.983   2.890   1.258
  633    HA   LYS  90           HA       LYS  90 -14.539   5.130   1.892
  634   1HB   LYS  90          1HB       LYS  90 -11.888   4.629   0.600
  635   2HB   LYS  90          2HB       LYS  90 -12.604   6.218   0.416
  636   1HG   LYS  90          1HG       LYS  90 -12.339   4.850   3.129
  637   2HG   LYS  90          2HG       LYS  90 -11.082   5.877   2.470
  638   1HD   LYS  90          1HD       LYS  90 -12.488   7.821   2.497
  639   2HD   LYS  90          2HD       LYS  90 -13.948   6.869   2.678
  640   1HE   LYS  90          1HE       LYS  90 -11.740   7.124   4.777
  641   2HE   LYS  90          2HE       LYS  90 -13.279   7.961   4.823
  642   1HZ   LYS  90          1HZ       LYS  90 -13.757   5.248   4.451
  643   2HZ   LYS  90          2HZ       LYS  90 -12.720   5.406   5.703
  644   3HZ   LYS  90          3HZ       LYS  90 -14.158   6.180   5.732
  645    H    ALA  91           H        ALA  91 -13.842   3.414  -1.195
  646    HA   ALA  91           HA       ALA  91 -15.536   5.316  -2.605
  647   1HB   ALA  91          1HB       ALA  91 -13.326   3.514  -3.243
  648   2HB   ALA  91          3HB       ALA  91 -13.957   4.905  -4.157
  649   3HB   ALA  91          2HB       ALA  91 -14.695   3.298  -4.361
  650    H    GLY  92           H        GLY  92 -16.484   3.327  -0.474
  651   1HA   GLY  92          2HA       GLY  92 -17.974   1.594  -0.266
  652   2HA   GLY  92          1HA       GLY  92 -18.043   1.415  -2.008
  653    H    ASP  93           H        ASP  93 -18.924   3.638  -3.130
  654    HA   ASP  93           HA       ASP  93 -21.539   3.736  -2.761
  655   1HB   ASP  93          1HB       ASP  93 -21.786   6.004  -1.483
  656   2HB   ASP  93          2HB       ASP  93 -21.576   4.538  -0.547
  657    H    ASP  94           H        ASP  94 -18.880   6.238  -2.651
  658    HA   ASP  94           HA       ASP  94 -20.088   7.731  -4.727
  659   1HB   ASP  94          1HB       ASP  94 -18.729   8.834  -3.006
  660   2HB   ASP  94          2HB       ASP  94 -17.340   7.843  -3.404
  661    H    LYS  95           H        LYS  95 -19.763   7.415  -6.944
  662    HA   LYS  95           HA       LYS  95 -18.100   5.264  -7.790
  663   1HB   LYS  95          1HB       LYS  95 -19.863   7.266  -9.207
  664   2HB   LYS  95          2HB       LYS  95 -18.866   6.129 -10.091
  665   1HG   LYS  95          1HG       LYS  95 -19.962   4.222  -9.009
  666   2HG   LYS  95          2HG       LYS  95 -20.836   5.280  -7.919
  667   1HD   LYS  95          1HD       LYS  95 -22.086   6.268  -9.807
  668   2HD   LYS  95          2HD       LYS  95 -21.143   5.341 -10.957
  669   1HE   LYS  95          2HE       LYS  95 -22.693   3.691 -10.791
  670   2HE   LYS  95          1HE       LYS  95 -22.130   3.399  -9.157
  671   1HZ   LYS  95          1HZ       LYS  95 -24.219   5.328  -9.901
  672   2HZ   LYS  95          2HZ       LYS  95 -24.476   3.866  -9.220
  673   3HZ   LYS  95          3HZ       LYS  95 -23.703   5.034  -8.379
  674    H    GLU  96           H        GLU  96 -17.932   8.851  -7.804
  675    HA   GLU  96           HA       GLU  96 -15.682   8.983  -9.441
  676   1HB   GLU  96          1HB       GLU  96 -17.302  10.865  -8.829
  677   2HB   GLU  96          2HB       GLU  96 -16.487  10.976  -7.281
  678   1HG   GLU  96          2HG       GLU  96 -15.401  12.608  -8.635
  679   2HG   GLU  96          1HG       GLU  96 -14.286  11.256  -8.611
  680    H    LEU  97           H        LEU  97 -16.152   8.189  -6.043
  681    HA   LEU  97           HA       LEU  97 -13.457   8.774  -5.282
  682   1HB   LEU  97          1HB       LEU  97 -15.633   8.728  -3.867
  683   2HB   LEU  97          2HB       LEU  97 -15.354   7.000  -3.778
  684    HG   LEU  97           HG       LEU  97 -14.421   7.865  -1.814
  685   1HD1  LEU  97          1HD1      LEU  97 -12.950   6.292  -3.135
  686   2HD1  LEU  97          2HD1      LEU  97 -12.010   7.719  -3.633
  687   3HD1  LEU  97          3HD1      LEU  97 -12.125   7.286  -1.910
  688   1HD2  LEU  97          1HD2      LEU  97 -14.227  10.257  -3.184
  689   2HD2  LEU  97          2HD2      LEU  97 -13.680   9.947  -1.519
  690   3HD2  LEU  97          3HD2      LEU  97 -12.529   9.825  -2.871
  691    H    LYS  98           H        LYS  98 -15.135   6.196  -6.921
  692    HA   LYS  98           HA       LYS  98 -13.142   4.227  -6.210
  693   1HB   LYS  98          1HB       LYS  98 -15.573   3.682  -6.451
  694   2HB   LYS  98          2HB       LYS  98 -15.453   4.037  -8.163
  695   1HG   LYS  98          1HG       LYS  98 -14.565   1.993  -8.588
  696   2HG   LYS  98          2HG       LYS  98 -13.283   2.254  -7.422
  697   1HD   LYS  98          1HD       LYS  98 -14.398   0.379  -6.529
  698   2HD   LYS  98          2HD       LYS  98 -15.093   1.699  -5.608
  699   1HE   LYS  98          1HE       LYS  98 -16.949   0.341  -6.320
  700   2HE   LYS  98          2HE       LYS  98 -16.994   1.778  -7.322
  701   1HZ   LYS  98          1HZ       LYS  98 -15.515   0.308  -8.845
  702   2HZ   LYS  98          2HZ       LYS  98 -16.235  -0.923  -8.048
  703   3HZ   LYS  98          3HZ       LYS  98 -17.141   0.158  -8.872
  704    H    LYS  99           H        LYS  99 -12.426   6.815  -7.610
  705    HA   LYS  99           HA       LYS  99 -10.927   5.532  -9.745
  706   1HB   LYS  99          1HB       LYS  99 -12.956   7.710 -10.138
  707   2HB   LYS  99          2HB       LYS  99 -11.510   7.702 -11.127
  708   1HG   LYS  99          1HG       LYS  99 -11.998   5.519 -12.022
  709   2HG   LYS  99          2HG       LYS  99 -13.207   5.198 -10.794
  710   1HD   LYS  99          1HD       LYS  99 -14.494   7.244 -11.761
  711   2HD   LYS  99          2HD       LYS  99 -13.396   7.149 -13.123
  712   1HE   LYS  99          1HE       LYS  99 -15.019   4.750 -12.167
  713   2HE   LYS  99          2HE       LYS  99 -15.628   5.878 -13.362
  714   1HZ   LYS  99          1HZ       LYS  99 -13.023   5.084 -14.027
  715   2HZ   LYS  99          2HZ       LYS  99 -13.953   3.761 -13.799
  716   3HZ   LYS  99          3HZ       LYS  99 -14.401   4.897 -14.884
  717    H    LYS 100           H        LYS 100  -9.917   6.073  -7.267
  718    HA   LYS 100           HA       LYS 100  -7.876   7.918  -7.894
  719   1HB   LYS 100          1HB       LYS 100  -8.448   9.383  -5.799
  720   2HB   LYS 100          2HB       LYS 100  -9.153   9.750  -7.361
  721   1HG   LYS 100          1HG       LYS 100 -11.212   8.480  -6.744
  722   2HG   LYS 100          2HG       LYS 100 -10.507   8.077  -5.191
  723   1HD   LYS 100          2HD       LYS 100 -11.965   9.980  -4.841
  724   2HD   LYS 100          1HD       LYS 100 -10.317  10.557  -4.689
  725   1HE   LYS 100          1HE       LYS 100 -10.372  11.374  -7.047
  726   2HE   LYS 100          2HE       LYS 100 -12.007  10.770  -7.228
  727   1HZ   LYS 100          1HZ       LYS 100 -11.280  12.702  -5.146
  728   2HZ   LYS 100          2HZ       LYS 100 -11.780  13.160  -6.632
  729   3HZ   LYS 100          3HZ       LYS 100 -12.778  12.305  -5.661
  730    H    LEU 101           H        LEU 101  -9.726   6.203  -5.306
  731    HA   LEU 101           HA       LEU 101  -7.222   5.653  -3.939
  732   1HB   LEU 101          1HB       LEU 101 -10.031   4.879  -3.154
  733   2HB   LEU 101          2HB       LEU 101  -8.595   4.833  -2.151
  734    HG   LEU 101           HG       LEU 101 -10.185   7.213  -3.072
  735   1HD1  LEU 101          1HD1      LEU 101 -10.515   5.885  -0.861
  736   2HD1  LEU 101          2HD1      LEU 101  -9.052   6.747  -0.328
  737   3HD1  LEU 101          3HD1      LEU 101 -10.495   7.665  -0.823
  738   1HD2  LEU 101          1HD2      LEU 101  -7.857   7.715  -3.660
  739   2HD2  LEU 101          2HD2      LEU 101  -8.430   8.721  -2.307
  740   3HD2  LEU 101          3HD2      LEU 101  -7.355   7.337  -1.995
  741    H    THR 102           H        THR 102  -9.692   4.130  -5.994
  742    HA   THR 102           HA       THR 102  -8.087   1.660  -5.896
  743    HB   THR 102           HB       THR 102 -10.161   0.406  -6.051
  744    HG1  THR 102           HG1      THR 102 -11.364   1.732  -7.473
  745   1HG2  THR 102          1HG2      THR 102  -9.768   1.370  -3.742
  746   2HG2  THR 102          2HG2      THR 102 -10.737   2.788  -4.212
  747   3HG2  THR 102          3HG2      THR 102 -11.496   1.180  -4.123
  748    H    GLY 103           H        GLY 103  -8.489   4.340  -7.655
  749   1HA   GLY 103          2HA       GLY 103  -8.293   4.857  -9.834
  750   2HA   GLY 103          1HA       GLY 103  -9.277   3.454 -10.202
  751    H    CYS 104           H        CYS 104  -8.325   1.879 -11.415
  752    HA   CYS 104           HA       CYS 104  -5.837   0.816 -10.885
  753   1HB   CYS 104          1HB       CYS 104  -7.862   0.592 -12.992
  754   2HB   CYS 104          2HB       CYS 104  -6.232   0.302 -13.566
  755    H    LYS 105           H        LYS 105  -6.891   3.140 -13.485
  756    HA   LYS 105           HA       LYS 105  -4.112   4.087 -13.561
  757   1HB   LYS 105          1HB       LYS 105  -4.403   2.834 -15.558
  758   2HB   LYS 105          2HB       LYS 105  -5.997   3.501 -15.849
  759   1HG   LYS 105          1HG       LYS 105  -4.655   5.830 -15.829
  760   2HG   LYS 105          2HG       LYS 105  -3.297   4.797 -16.229
  761   1HD   LYS 105          1HD       LYS 105  -5.667   4.106 -17.826
  762   2HD   LYS 105          2HD       LYS 105  -5.242   5.795 -18.019
  763   1HE   LYS 105          1HE       LYS 105  -2.797   4.965 -18.377
  764   2HE   LYS 105          2HE       LYS 105  -3.486   3.363 -18.545
  765   1HZ   LYS 105          1HZ       LYS 105  -5.040   4.830 -20.147
  766   2HZ   LYS 105          2HZ       LYS 105  -3.597   5.567 -20.348
  767   3HZ   LYS 105          3HZ       LYS 105  -3.746   3.969 -20.648
  768    H    GLY 106           H        GLY 106  -3.813   6.311 -13.538
  769   1HA   GLY 106          2HA       GLY 106  -5.968   8.127 -14.035
  770   2HA   GLY 106          1HA       GLY 106  -4.358   8.506 -13.459
  771    H    SER 107           H        SER 107  -4.254   6.842 -11.116
  772    HA   SER 107           HA       SER 107  -6.385   8.075  -9.550
  773   1HB   SER 107          2HB       SER 107  -6.385   6.184  -8.083
  774   2HB   SER 107          1HB       SER 107  -6.393   5.528  -9.708
  775    HG   SER 107           HG       SER 107  -4.728   4.386  -8.948
  776    H    ALA 108           H        ALA 108  -5.494   7.944  -7.004
  777    HA   ALA 108           HA       ALA 108  -3.312   9.780  -7.011
  778   1HB   ALA 108          1HB       ALA 108  -3.801   9.012  -4.377
  779   2HB   ALA 108          2HB       ALA 108  -4.572  10.369  -5.233
  780   3HB   ALA 108          3HB       ALA 108  -5.375   8.781  -5.177
  781    H    CYS 109           H        CYS 109  -3.464   6.445  -7.371
  782    HA   CYS 109           HA       CYS 109  -1.009   6.029  -5.844
  783   1HB   CYS 109          1HB       CYS 109  -3.061   4.089  -6.942
  784   2HB   CYS 109          2HB       CYS 109  -1.498   3.572  -6.340
  785    H    HIS 110           H        HIS 110  -2.597   5.570  -9.071
  786    HA   HIS 110           HA       HIS 110   0.098   5.460 -10.219
  787   1HB   HIS 110          1HB       HIS 110  -2.432   4.091 -11.172
  788   2HB   HIS 110          2HB       HIS 110  -0.926   4.132 -12.066
  789    HD1  HIS 110           HD1      HIS 110   1.196   3.362 -10.115
  790    HD2  HIS 110           HD2      HIS 110  -2.625   1.633 -10.023
  791    HE1  HIS 110           HE1      HIS 110   1.449   1.133  -8.899
  792    HA   PRO 111           HA       PRO 111  -1.828   9.177 -11.967
  793   1HB   PRO 111          1HB       PRO 111  -0.051  11.018 -11.138
  794   2HB   PRO 111          2HB       PRO 111  -1.177  10.261  -9.965
  795   1HG   PRO 111          1HG       PRO 111   1.909   9.443 -10.056
  796   2HG   PRO 111          2HG       PRO 111   0.485   9.734  -9.005
  797   1HD   PRO 111          1HD       PRO 111   1.358   7.259 -10.430
  798   2HD   PRO 111          2HD       PRO 111   0.169   7.437  -9.104
  799    H    SER 112           H        SER 112  -1.094   7.754 -13.950
  800    HA   SER 112           HA       SER 112   0.828   9.329 -15.333
  801   1HB   SER 112          1HB       SER 112   1.745   6.971 -14.028
  802   2HB   SER 112          2HB       SER 112   1.635   6.556 -15.726
  803    HG   SER 112           HG       SER 112   2.802   8.767 -16.007

  No H/Q in entry =         803
  Start of MODEL    7
    1    H1   VAL   1           H1       VAL   1   8.670   9.365  17.629
    2    H2   VAL   1           H2       VAL   1   8.386   7.741  17.473
    3    H3   VAL   1           H3       VAL   1   9.662   8.275  18.383
    4    HA   VAL   1           HA       VAL   1  10.980   8.602  16.709
    5    HB   VAL   1           HB       VAL   1  10.450   6.339  16.396
    6   1HG1  VAL   1          1HG1      VAL   1   7.803   7.375  15.475
    7   2HG1  VAL   1          2HG1      VAL   1   8.391   5.851  14.768
    8   3HG1  VAL   1          3HG1      VAL   1   8.192   5.995  16.531
    9   1HG2  VAL   1          1HG2      VAL   1  11.627   7.400  14.494
   10   2HG2  VAL   1          2HG2      VAL   1  10.642   6.005  13.991
   11   3HG2  VAL   1          3HG2      VAL   1  10.061   7.660  13.689
   12    H    ASP   2           H        ASP   2   7.905   9.985  16.581
   13    HA   ASP   2           HA       ASP   2   7.018  11.600  15.441
   14   1HB   ASP   2          1HB       ASP   2   9.865  12.015  14.413
   15   2HB   ASP   2          2HB       ASP   2   8.558  13.149  14.132
   16    H    VAL   3           H        VAL   3   5.622  10.885  13.814
   17    HA   VAL   3           HA       VAL   3   6.311   9.132  11.800
   18    HB   VAL   3           HB       VAL   3   4.035  10.043  12.783
   19   1HG1  VAL   3          1HG1      VAL   3   4.459  12.323  11.731
   20   2HG1  VAL   3          2HG1      VAL   3   4.132  11.554  10.160
   21   3HG1  VAL   3          3HG1      VAL   3   2.868  11.592  11.413
   22   1HG2  VAL   3          1HG2      VAL   3   4.551   8.943  10.013
   23   2HG2  VAL   3          2HG2      VAL   3   4.048   8.073  11.483
   24   3HG2  VAL   3          3HG2      VAL   3   2.906   9.161  10.658
   25    HA   PRO   4           HA       PRO   4   9.091  11.354   9.216
   26   1HB   PRO   4          2HB       PRO   4   7.655   9.624   7.172
   27   2HB   PRO   4          1HB       PRO   4   9.406   9.912   7.433
   28   1HG   PRO   4          1HG       PRO   4   8.343   7.669   8.405
   29   2HG   PRO   4          2HG       PRO   4   9.655   8.516   9.288
   30   1HD   PRO   4          1HD       PRO   4   6.700   8.341   9.865
   31   2HD   PRO   4          2HD       PRO   4   8.060   8.630  10.992
   32    H    ALA   5           H        ALA   5   8.918  12.823   7.244
   33    HA   ALA   5           HA       ALA   5   6.365  14.180   7.350
   34   1HB   ALA   5          1HB       ALA   5   7.572  16.013   6.771
   35   2HB   ALA   5          2HB       ALA   5   8.468  15.142   5.503
   36   3HB   ALA   5          3HB       ALA   5   8.981  15.015   7.203
   37    H    ASP   6           H        ASP   6   5.131  14.713   5.408
   38    HA   ASP   6           HA       ASP   6   4.611  12.540   3.860
   39   1HB   ASP   6          2HB       ASP   6   3.109  13.930   2.696
   40   2HB   ASP   6          1HB       ASP   6   3.293  14.770   4.223
   41    H    GLY   7           H        GLY   7   4.551  13.419   1.132
   42   1HA   GLY   7          2HA       GLY   7   7.055  14.437   0.249
   43   2HA   GLY   7          1HA       GLY   7   5.799  13.699  -0.725
   44    H    ALA   8           H        ALA   8   5.682  11.163   0.814
   45    HA   ALA   8           HA       ALA   8   8.363  10.085   0.498
   46   1HB   ALA   8          1HB       ALA   8   5.764   9.113   1.715
   47   2HB   ALA   8          2HB       ALA   8   7.326   9.414   2.515
   48   3HB   ALA   8          3HB       ALA   8   7.134   8.011   1.437
   49    H    LYS   9           H        LYS   9   8.975   8.686  -1.133
   50    HA   LYS   9           HA       LYS   9   6.883   8.099  -3.112
   51   1HB   LYS   9          1HB       LYS   9   9.814   8.759  -3.501
   52   2HB   LYS   9          2HB       LYS   9   8.799   8.092  -4.764
   53   1HG   LYS   9          1HG       LYS   9   7.433  10.022  -4.879
   54   2HG   LYS   9          2HG       LYS   9   7.852  10.543  -3.260
   55   1HD   LYS   9          1HD       LYS   9   9.518  11.838  -4.083
   56   2HD   LYS   9          2HD       LYS   9  10.297  10.427  -4.771
   57   1HE   LYS   9          1HE       LYS   9   9.790  12.114  -6.526
   58   2HE   LYS   9          2HE       LYS   9   8.928  10.617  -6.822
   59   1HZ   LYS   9          1HZ       LYS   9   7.476  12.432  -5.182
   60   2HZ   LYS   9          2HZ       LYS   9   7.805  13.044  -6.660
   61   3HZ   LYS   9          3HZ       LYS   9   6.998  11.631  -6.522
   62    H    ILE  10           H        ILE  10   6.629   5.988  -3.789
   63    HA   ILE  10           HA       ILE  10   8.438   4.062  -2.503
   64    HB   ILE  10           HB       ILE  10   5.522   3.695  -3.193
   65   1HG1  ILE  10          1HG1      ILE  10   6.540   3.875  -0.379
   66   2HG1  ILE  10          2HG1      ILE  10   6.268   5.358  -1.273
   67   1HG2  ILE  10          1HG2      ILE  10   7.365   1.745  -2.984
   68   2HG2  ILE  10          2HG2      ILE  10   6.920   1.922  -1.270
   69   3HG2  ILE  10          3HG2      ILE  10   5.668   1.556  -2.480
   70   1HD1  ILE  10          1HD1      ILE  10   3.931   4.594  -1.794
   71   2HD1  ILE  10          2HD1      ILE  10   4.217   3.146  -0.800
   72   3HD1  ILE  10          3HD1      ILE  10   4.229   4.759  -0.047
   73    H    ASP  11           H        ASP  11   9.639   2.823  -3.846
   74    HA   ASP  11           HA       ASP  11   8.561   2.052  -6.359
   75   1HB   ASP  11          1HB       ASP  11   9.407   4.149  -7.143
   76   2HB   ASP  11          2HB       ASP  11  10.840   4.045  -6.140
   77    H    PHE  12           H        PHE  12   8.970  -0.109  -5.588
   78    HA   PHE  12           HA       PHE  12  11.802  -0.715  -5.100
   79   1HB   PHE  12          1HB       PHE  12   9.180  -2.030  -4.166
   80   2HB   PHE  12          2HB       PHE  12  10.767  -2.678  -3.803
   81    HD1  PHE  12           HD1      PHE  12  12.259  -0.214  -3.120
   82    HD2  PHE  12           HD2      PHE  12   8.319  -1.413  -2.095
   83    HE1  PHE  12           HE1      PHE  12  12.365   1.203  -1.051
   84    HE2  PHE  12           HE2      PHE  12   8.426   0.004  -0.026
   85    HZ   PHE  12           HZ       PHE  12  10.448   1.296   0.471
   86    H    ILE  13           H        ILE  13   8.849  -1.425  -6.921
   87    HA   ILE  13           HA       ILE  13  10.113  -3.763  -8.119
   88    HB   ILE  13           HB       ILE  13   7.317  -2.640  -8.280
   89   1HG1  ILE  13          1HG1      ILE  13   8.232  -5.254  -7.066
   90   2HG1  ILE  13          2HG1      ILE  13   8.126  -3.773  -6.136
   91   1HG2  ILE  13          1HG2      ILE  13   8.229  -3.788 -10.391
   92   2HG2  ILE  13          2HG2      ILE  13   8.188  -5.285  -9.430
   93   3HG2  ILE  13          3HG2      ILE  13   6.689  -4.370  -9.716
   94   1HD1  ILE  13          1HD1      ILE  13   5.760  -4.678  -7.801
   95   2HD1  ILE  13          2HD1      ILE  13   6.055  -5.382  -6.193
   96   3HD1  ILE  13          3HD1      ILE  13   5.779  -3.632  -6.361
   97    H    ALA  14           H        ALA  14  11.638  -3.153  -9.596
   98    HA   ALA  14           HA       ALA  14  11.299  -0.798 -11.167
   99   1HB   ALA  14          1HB       ALA  14  13.263  -2.934 -11.903
  100   2HB   ALA  14          3HB       ALA  14  13.484  -1.172 -11.778
  101   3HB   ALA  14          2HB       ALA  14  13.442  -2.171 -10.305
  102    H    GLY  15           H        GLY  15   9.333  -1.010 -12.326
  103   1HA   GLY  15          2HA       GLY  15   8.545  -3.285 -13.748
  104   2HA   GLY  15          1HA       GLY  15   9.520  -2.300 -14.821
  105    H    GLY  16           H        GLY  16   7.280  -2.271 -15.952
  106   1HA   GLY  16          2HA       GLY  16   5.337  -0.480 -14.742
  107   2HA   GLY  16          1HA       GLY  16   5.200  -1.348 -16.258
  108    H    GLU  17           H        GLU  17   6.547  -0.573 -18.142
  109    HA   GLU  17           HA       GLU  17   6.980   1.036 -19.545
  110   1HB   GLU  17          1HB       GLU  17   5.370   2.442 -17.554
  111   2HB   GLU  17          2HB       GLU  17   6.576   3.517 -18.233
  112   1HG   GLU  17          1HG       GLU  17   4.339   3.393 -19.494
  113   2HG   GLU  17          2HG       GLU  17   5.782   3.197 -20.469
  114    H    LYS  18           H        LYS  18   7.917   2.052 -16.185
  115    HA   LYS  18           HA       LYS  18  10.678   1.942 -16.910
  116   1HB   LYS  18          1HB       LYS  18  11.060   4.380 -16.245
  117   2HB   LYS  18          2HB       LYS  18  10.432   4.068 -17.851
  118   1HG   LYS  18          1HG       LYS  18   8.081   4.433 -16.914
  119   2HG   LYS  18          2HG       LYS  18   8.821   4.936 -15.407
  120   1HD   LYS  18          1HD       LYS  18   9.708   6.907 -16.329
  121   2HD   LYS  18          2HD       LYS  18   9.767   6.252 -17.954
  122   1HE   LYS  18          1HE       LYS  18   7.654   6.971 -18.435
  123   2HE   LYS  18          2HE       LYS  18   7.008   6.345 -16.932
  124   1HZ   LYS  18          1HZ       LYS  18   8.592   8.499 -16.284
  125   2HZ   LYS  18          2HZ       LYS  18   7.688   8.974 -17.558
  126   3HZ   LYS  18          3HZ       LYS  18   6.963   8.407 -16.210
  127    H    ASN  19           H        ASN  19   8.246   3.273 -14.570
  128    HA   ASN  19           HA       ASN  19   8.825   1.523 -12.589
  129   1HB   ASN  19          1HB       ASN  19  10.180   3.023 -11.006
  130   2HB   ASN  19          2HB       ASN  19  11.086   2.369 -12.357
  131   2HD2  ASN  19          2HD2      ASN  19  12.289   4.369 -11.363
  132   1HD2  ASN  19          1HD2      ASN  19  12.086   5.857 -12.225
  133    H    LEU  20           H        LEU  20   6.709   1.744 -11.814
  134    HA   LEU  20           HA       LEU  20   5.421   4.289 -11.794
  135   1HB   LEU  20          1HB       LEU  20   4.613   1.564 -10.773
  136   2HB   LEU  20          2HB       LEU  20   3.578   2.978 -10.717
  137    HG   LEU  20           HG       LEU  20   4.596   1.517 -13.159
  138   1HD1  LEU  20          1HD1      LEU  20   2.155   1.480 -11.617
  139   2HD1  LEU  20          2HD1      LEU  20   1.830   1.977 -13.295
  140   3HD1  LEU  20          3HD1      LEU  20   2.665   0.440 -12.968
  141   1HD2  LEU  20          1HD2      LEU  20   3.231   4.216 -13.028
  142   2HD2  LEU  20          2HD2      LEU  20   4.836   3.839 -13.697
  143   3HD2  LEU  20          3HD2      LEU  20   3.371   3.228 -14.502
  144    H    THR  21           H        THR  21   6.012   5.831 -10.359
  145    HA   THR  21           HA       THR  21   6.820   4.956  -7.682
  146    HB   THR  21           HB       THR  21   7.018   7.788  -8.743
  147    HG1  THR  21           HG1      THR  21   9.072   6.921  -9.734
  148   1HG2  THR  21          1HG2      THR  21   8.574   5.952  -6.887
  149   2HG2  THR  21          2HG2      THR  21   9.406   7.306  -7.689
  150   3HG2  THR  21          3HG2      THR  21   8.033   7.624  -6.603
  151    H    VAL  22           H        VAL  22   5.259   4.793  -6.204
  152    HA   VAL  22           HA       VAL  22   2.951   6.557  -6.488
  153    HB   VAL  22           HB       VAL  22   3.480   4.049  -4.890
  154   1HG1  VAL  22          1HG1      VAL  22   2.039   5.725  -3.668
  155   2HG1  VAL  22          2HG1      VAL  22   0.869   5.585  -5.002
  156   3HG1  VAL  22          3HG1      VAL  22   1.261   4.161  -4.009
  157   1HG2  VAL  22          1HG2      VAL  22   2.540   4.525  -7.544
  158   2HG2  VAL  22          2HG2      VAL  22   2.699   2.977  -6.681
  159   3HG2  VAL  22          3HG2      VAL  22   1.180   3.900  -6.580
  160    H    VAL  23           H        VAL  23   2.559   8.238  -5.108
  161    HA   VAL  23           HA       VAL  23   4.602   8.711  -3.086
  162    HB   VAL  23           HB       VAL  23   2.430  10.478  -4.232
  163   1HG1  VAL  23          1HG1      VAL  23   3.248  10.970  -1.853
  164   2HG1  VAL  23          2HG1      VAL  23   4.813  11.376  -2.599
  165   3HG1  VAL  23          3HG1      VAL  23   3.353  12.294  -3.038
  166   1HG2  VAL  23          1HG2      VAL  23   4.267   9.764  -5.813
  167   2HG2  VAL  23          2HG2      VAL  23   4.125  11.520  -5.556
  168   3HG2  VAL  23          3HG2      VAL  23   5.416  10.604  -4.743
  169    H    PHE  24           H        PHE  24   4.150   8.927  -0.877
  170    HA   PHE  24           HA       PHE  24   1.378   8.362  -0.115
  171   1HB   PHE  24          1HB       PHE  24   2.966   6.337  -0.033
  172   2HB   PHE  24          2HB       PHE  24   3.978   7.231   1.084
  173    HD1  PHE  24           HD1      PHE  24   0.393   6.227   0.738
  174    HD2  PHE  24           HD2      PHE  24   3.706   6.795   3.327
  175    HE1  PHE  24           HE1      PHE  24  -0.962   5.356   2.662
  176    HE2  PHE  24           HE2      PHE  24   2.351   5.924   5.252
  177    HZ   PHE  24           HZ       PHE  24   0.033   5.215   4.896
  178    H    ASN  25           H        ASN  25   0.887   8.994   2.172
  179    HA   ASN  25           HA       ASN  25   2.788  10.899   3.232
  180   1HB   ASN  25          1HB       ASN  25   0.090  11.941   3.578
  181   2HB   ASN  25          2HB       ASN  25   1.469  12.723   2.829
  182   2HD2  ASN  25          2HD2      ASN  25   2.058  11.765   0.614
  183   1HD2  ASN  25          1HD2      ASN  25   0.754  11.544  -0.504
  184    H    HIS  26           H        HIS  26   2.944  10.556   5.465
  185    HA   HIS  26           HA       HIS  26   1.217   8.630   6.651
  186   1HB   HIS  26          1HB       HIS  26   3.693  10.097   7.384
  187   2HB   HIS  26          2HB       HIS  26   2.679   9.590   8.721
  188    HD1  HIS  26           HD1      HIS  26   4.735   8.193   5.865
  189    HD2  HIS  26           HD2      HIS  26   2.651   6.835   9.242
  190    HE1  HIS  26           HE1      HIS  26   5.383   5.743   6.167
  191    H    SER  27           H        SER  27   1.119  12.043   6.155
  192    HA   SER  27           HA       SER  27  -0.458  12.493   8.520
  193   1HB   SER  27          1HB       SER  27  -0.554  14.869   7.589
  194   2HB   SER  27          2HB       SER  27   1.044  14.279   7.996
  195    HG   SER  27           HG       SER  27   1.534  13.976   5.817
  196    H    THR  28           H        THR  28  -1.200  10.759   6.006
  197    HA   THR  28           HA       THR  28  -3.737  12.136   5.410
  198    HB   THR  28           HB       THR  28  -2.153  10.085   3.773
  199    HG1  THR  28           HG1      THR  28  -1.938  12.165   2.477
  200   1HG2  THR  28          1HG2      THR  28  -4.818  10.477   3.520
  201   2HG2  THR  28          2HG2      THR  28  -4.263  11.933   2.660
  202   3HG2  THR  28          3HG2      THR  28  -3.767  10.321   2.093
  203    H    HIS  29           H        HIS  29  -2.151   9.238   6.667
  204    HA   HIS  29           HA       HIS  29  -4.816   8.073   7.017
  205   1HB   HIS  29          1HB       HIS  29  -2.126   6.676   7.014
  206   2HB   HIS  29          2HB       HIS  29  -3.690   5.906   7.198
  207    HD1  HIS  29           HD1      HIS  29  -1.652   7.824   4.606
  208    HD2  HIS  29           HD2      HIS  29  -4.976   5.275   4.830
  209    HE1  HIS  29           HE1      HIS  29  -2.272   7.245   2.200
  210    H    LYS  30           H        LYS  30  -3.364  10.227   8.619
  211    HA   LYS  30           HA       LYS  30  -2.354   9.165  10.969
  212   1HB   LYS  30          2HB       LYS  30  -2.693  11.366  11.896
  213   2HB   LYS  30          1HB       LYS  30  -2.129  11.513  10.244
  214   1HG   LYS  30          1HG       LYS  30  -4.756  11.554   9.698
  215   2HG   LYS  30          2HG       LYS  30  -4.876  12.069  11.369
  216   1HD   LYS  30          1HD       LYS  30  -2.825  13.687  10.505
  217   2HD   LYS  30          2HD       LYS  30  -3.732  13.512   9.015
  218   1HE   LYS  30          1HE       LYS  30  -5.841  14.122  10.384
  219   2HE   LYS  30          2HE       LYS  30  -4.756  14.569  11.686
  220   1HZ   LYS  30          1HZ       LYS  30  -3.658  16.070  10.107
  221   2HZ   LYS  30          2HZ       LYS  30  -4.789  15.717   8.983
  222   3HZ   LYS  30          3HZ       LYS  30  -5.221  16.465  10.370
  223    H    ASP  31           H        ASP  31  -5.573   9.117   9.672
  224    HA   ASP  31           HA       ASP  31  -6.808   8.916  12.238
  225   1HB   ASP  31          1HB       ASP  31  -8.234   9.871  10.622
  226   2HB   ASP  31          2HB       ASP  31  -7.699   8.785   9.356
  227    H    VAL  32           H        VAL  32  -4.860   6.911  10.388
  228    HA   VAL  32           HA       VAL  32  -6.315   4.490  11.198
  229    HB   VAL  32           HB       VAL  32  -4.212   4.747   9.047
  230   1HG1  VAL  32          1HG1      VAL  32  -5.212   2.509  10.321
  231   2HG1  VAL  32          2HG1      VAL  32  -6.221   2.614   8.858
  232   3HG1  VAL  32          3HG1      VAL  32  -4.448   2.538   8.714
  233   1HG2  VAL  32          1HG2      VAL  32  -6.230   6.159   8.564
  234   2HG2  VAL  32          2HG2      VAL  32  -5.955   4.847   7.393
  235   3HG2  VAL  32          3HG2      VAL  32  -7.218   4.680   8.637
  236    H    LYS  33           H        LYS  33  -5.354   3.131  12.655
  237    HA   LYS  33           HA       LYS  33  -3.260   4.010  14.205
  238   1HB   LYS  33          1HB       LYS  33  -4.204   1.163  13.751
  239   2HB   LYS  33          2HB       LYS  33  -3.219   1.709  15.092
  240   1HG   LYS  33          1HG       LYS  33  -5.141   3.448  15.521
  241   2HG   LYS  33          2HG       LYS  33  -6.104   2.431  14.468
  242   1HD   LYS  33          1HD       LYS  33  -5.188   0.473  16.052
  243   2HD   LYS  33          2HD       LYS  33  -4.942   1.789  17.183
  244   1HE   LYS  33          1HE       LYS  33  -7.562   2.104  15.990
  245   2HE   LYS  33          2HE       LYS  33  -7.404   0.445  16.533
  246   1HZ   LYS  33          1HZ       LYS  33  -6.406   2.381  18.385
  247   2HZ   LYS  33          2HZ       LYS  33  -8.012   2.495  18.111
  248   3HZ   LYS  33          3HZ       LYS  33  -7.373   1.091  18.646
  249    H    CYS  34           H        CYS  34  -1.049   3.107  14.467
  250    HA   CYS  34           HA       CYS  34   0.271   3.151  11.966
  251   1HB   CYS  34          2HB       CYS  34   1.492   2.368  14.610
  252   2HB   CYS  34          1HB       CYS  34   2.294   3.039  13.204
  253    H    ASP  35           H        ASP  35  -0.615   0.672  14.429
  254    HA   ASP  35           HA       ASP  35   0.830  -1.396  13.258
  255   1HB   ASP  35          1HB       ASP  35  -0.740  -2.867  14.601
  256   2HB   ASP  35          2HB       ASP  35   0.058  -1.619  15.536
  257    H    ASP  36           H        ASP  36  -1.870   0.378  12.170
  258    HA   ASP  36           HA       ASP  36  -3.497  -1.615  11.145
  259   1HB   ASP  36          1HB       ASP  36  -3.784   1.017  11.372
  260   2HB   ASP  36          2HB       ASP  36  -3.098   1.053   9.760
  261    H    CYS  37           H        CYS  37  -0.342  -0.427  10.258
  262    HA   CYS  37           HA       CYS  37  -0.526  -1.898   7.736
  263   1HB   CYS  37          1HB       CYS  37   0.824   0.785   8.165
  264   2HB   CYS  37          2HB       CYS  37   1.089  -0.228   6.760
  265    H    HIS  38           H        HIS  38   1.563  -0.435  10.318
  266    HA   HIS  38           HA       HIS  38   3.730  -2.184   9.684
  267   1HB   HIS  38          1HB       HIS  38   3.290  -0.318  12.033
  268   2HB   HIS  38          2HB       HIS  38   4.790  -1.147  11.666
  269    HD1  HIS  38           HD1      HIS  38   5.832  -0.514   9.169
  270    HD2  HIS  38           HD2      HIS  38   3.061   2.146  10.856
  271    HE1  HIS  38           HE1      HIS  38   6.125   1.700   7.936
  272    H    HIS  39           H        HIS  39   2.588  -4.258   9.820
  273    HA   HIS  39           HA       HIS  39   1.731  -4.994  12.491
  274   1HB   HIS  39          2HB       HIS  39   0.633  -6.806  11.515
  275   2HB   HIS  39          1HB       HIS  39   0.416  -5.501  10.367
  276    HD1  HIS  39           HD1      HIS  39   1.499  -8.962  10.574
  277    HD2  HIS  39           HD2      HIS  39   2.390  -5.683   8.114
  278    HE1  HIS  39           HE1      HIS  39   2.575  -9.920   8.468
  279    H    GLN  40           H        GLN  40   4.460  -4.380  12.377
  280    HA   GLN  40           HA       GLN  40   5.683  -7.023  12.308
  281   1HB   GLN  40          1HB       GLN  40   6.772  -4.229  11.900
  282   2HB   GLN  40          2HB       GLN  40   7.852  -5.511  12.410
  283   1HG   GLN  40          1HG       GLN  40   7.513  -5.065   9.835
  284   2HG   GLN  40          2HG       GLN  40   7.602  -6.718  10.411
  285   2HE2  GLN  40          2HE2      GLN  40   5.816  -8.018  10.433
  286   1HE2  GLN  40          1HE2      GLN  40   4.320  -7.625   9.653
  287    HA   PRO  41           HA       PRO  41   6.206  -7.391  16.622
  288   1HB   PRO  41          1HB       PRO  41   9.009  -7.840  16.697
  289   2HB   PRO  41          2HB       PRO  41   7.736  -9.073  16.422
  290   1HG   PRO  41          2HG       PRO  41   9.464  -7.952  14.039
  291   2HG   PRO  41          1HG       PRO  41   8.706  -9.429  14.720
  292   1HD   PRO  41          1HD       PRO  41   7.541  -7.639  12.834
  293   2HD   PRO  41          2HD       PRO  41   6.645  -8.828  13.829
  294    H    GLY  42           H        GLY  42   6.639  -5.994  18.396
  295   1HA   GLY  42          2HA       GLY  42   7.442  -4.198  19.499
  296   2HA   GLY  42          1HA       GLY  42   7.095  -3.344  18.008
  297    H    ASP  43           H        ASP  43   9.566  -5.907  18.712
  298    HA   ASP  43           HA       ASP  43  11.734  -4.493  19.171
  299   1HB   ASP  43          1HB       ASP  43  11.607  -6.988  18.867
  300   2HB   ASP  43          2HB       ASP  43  11.567  -6.761  17.130
  301    H    LYS  44           H        LYS  44   9.918  -4.685  16.117
  302    HA   LYS  44           HA       LYS  44  11.425  -2.473  15.070
  303   1HB   LYS  44          1HB       LYS  44  12.080  -3.556  12.993
  304   2HB   LYS  44          2HB       LYS  44  12.835  -4.343  14.364
  305   1HG   LYS  44          1HG       LYS  44  10.994  -6.083  14.323
  306   2HG   LYS  44          2HG       LYS  44  10.351  -5.324  12.881
  307   1HD   LYS  44          1HD       LYS  44  12.802  -5.628  11.930
  308   2HD   LYS  44          2HD       LYS  44  12.981  -6.797  13.224
  309   1HE   LYS  44          1HE       LYS  44  11.181  -8.168  12.377
  310   2HE   LYS  44          2HE       LYS  44  10.624  -6.905  11.297
  311   1HZ   LYS  44          1HZ       LYS  44  13.322  -7.502  10.798
  312   2HZ   LYS  44          2HZ       LYS  44  12.430  -8.868  10.726
  313   3HZ   LYS  44          3HZ       LYS  44  12.047  -7.592   9.782
  314    H    GLN  45           H        GLN  45   8.898  -2.349  16.003
  315    HA   GLN  45           HA       GLN  45   6.806  -3.158  14.597
  316   1HB   GLN  45          1HB       GLN  45   6.791  -1.639  16.607
  317   2HB   GLN  45          2HB       GLN  45   7.193  -0.290  15.563
  318   1HG   GLN  45          1HG       GLN  45   5.069  -0.157  14.683
  319   2HG   GLN  45          2HG       GLN  45   4.867  -1.897  14.630
  320   2HE2  GLN  45          2HE2      GLN  45   4.942   0.910  16.772
  321   1HE2  GLN  45          1HE2      GLN  45   3.873   0.301  17.992
  322    H    TYR  46           H        TYR  46   8.813  -0.298  13.816
  323    HA   TYR  46           HA       TYR  46   7.514  -0.112  11.161
  324   1HB   TYR  46          2HB       TYR  46   9.582   1.759  12.326
  325   2HB   TYR  46          1HB       TYR  46   8.391   2.081  11.054
  326    HD1  TYR  46           HD1      TYR  46   5.919   2.133  11.693
  327    HD2  TYR  46           HD2      TYR  46   9.094   2.209  14.586
  328    HE1  TYR  46           HE1      TYR  46   4.352   3.037  13.390
  329    HE2  TYR  46           HE2      TYR  46   7.527   3.112  16.282
  330    HH   TYR  46           HH       TYR  46   4.054   3.525  15.631
  331    H    ALA  47           H        ALA  47   8.456  -1.713   9.836
  332    HA   ALA  47           HA       ALA  47  11.333  -1.357   9.439
  333   1HB   ALA  47          1HB       ALA  47  10.278  -3.503  10.842
  334   2HB   ALA  47          3HB       ALA  47  10.403  -4.139   9.184
  335   3HB   ALA  47          2HB       ALA  47  11.845  -3.488   9.998
  336    H    GLY  48           H        GLY  48  11.815  -3.008   7.362
  337   1HA   GLY  48          2HA       GLY  48  11.654  -2.951   5.105
  338   2HA   GLY  48          1HA       GLY  48  10.369  -1.765   5.225
  339    H    CYS  49           H        CYS  49   8.900  -2.695   3.768
  340    HA   CYS  49           HA       CYS  49   7.442  -4.922   4.818
  341   1HB   CYS  49          2HB       CYS  49   6.981  -3.536   2.178
  342   2HB   CYS  49          1HB       CYS  49   5.841  -4.480   3.118
  343    H    THR  50           H        THR  50   9.780  -4.169   2.216
  344    HA   THR  50           HA       THR  50   9.489  -6.831   1.076
  345    HB   THR  50           HB       THR  50  10.991  -5.902  -0.656
  346    HG1  THR  50           HG1      THR  50  10.961  -3.451   0.901
  347   1HG2  THR  50          1HG2      THR  50   8.752  -4.100   0.329
  348   2HG2  THR  50          2HG2      THR  50   9.790  -3.566  -1.015
  349   3HG2  THR  50          3HG2      THR  50   8.831  -5.058  -1.169
  350    H    THR  51           H        THR  51  10.555  -6.197   3.907
  351    HA   THR  51           HA       THR  51  13.318  -6.783   3.855
  352    HB   THR  51           HB       THR  51  11.296  -7.291   6.093
  353    HG1  THR  51           HG1      THR  51  11.945  -4.939   6.485
  354   1HG2  THR  51          1HG2      THR  51  14.221  -7.231   5.896
  355   2HG2  THR  51          2HG2      THR  51  13.637  -5.934   6.966
  356   3HG2  THR  51          3HG2      THR  51  13.207  -7.628   7.304
  357    H    ASP  52           H        ASP  52  14.401  -8.740   4.592
  358    HA   ASP  52           HA       ASP  52  13.679 -10.898   3.102
  359   1HB   ASP  52          1HB       ASP  52  15.918 -10.806   3.894
  360   2HB   ASP  52          2HB       ASP  52  15.422 -10.530   5.552
  361    H    GLY  53           H        GLY  53  12.847 -13.071   3.798
  362   1HA   GLY  53          2HA       GLY  53  11.859 -13.667   6.328
  363   2HA   GLY  53          1HA       GLY  53  11.358 -14.406   4.819
  364    H    CYS  54           H        CYS  54  10.678 -11.408   3.950
  365    HA   CYS  54           HA       CYS  54   8.034 -11.482   5.202
  366   1HB   CYS  54          2HB       CYS  54   9.481  -8.910   4.518
  367   2HB   CYS  54          1HB       CYS  54   7.969  -9.094   5.385
  368    H    HIS  55           H        HIS  55   7.833  -8.851   3.357
  369    HA   HIS  55           HA       HIS  55   6.911 -10.363   1.074
  370   1HB   HIS  55          2HB       HIS  55   6.678  -7.383   1.518
  371   2HB   HIS  55          1HB       HIS  55   5.720  -8.395   0.455
  372    HD1  HIS  55           HD1      HIS  55   4.043 -10.138   1.692
  373    HD2  HIS  55           HD2      HIS  55   5.690  -7.112   4.086
  374    HE1  HIS  55           HE1      HIS  55   2.611 -10.035   3.801
  375    H    ASN  56           H        ASN  56   9.667 -10.560   1.276
  376    HA   ASN  56           HA       ASN  56  10.835  -8.476  -0.279
  377   1HB   ASN  56          1HB       ASN  56  12.134  -9.663   1.495
  378   2HB   ASN  56          2HB       ASN  56  11.925 -11.185   0.651
  379   2HD2  ASN  56          2HD2      ASN  56  14.357  -9.798   1.387
  380   1HD2  ASN  56          1HD2      ASN  56  15.261  -9.507  -0.062
  381    H    ILE  57           H        ILE  57   9.056  -9.035  -2.043
  382    HA   ILE  57           HA       ILE  57  10.262 -10.971  -3.877
  383    HB   ILE  57           HB       ILE  57   7.306 -10.731  -3.306
  384   1HG1  ILE  57          1HG1      ILE  57   8.880 -11.894  -1.582
  385   2HG1  ILE  57          2HG1      ILE  57   7.385 -12.669  -2.068
  386   1HG2  ILE  57          1HG2      ILE  57   8.900 -12.186  -5.384
  387   2HG2  ILE  57          2HG2      ILE  57   7.401 -12.912  -4.757
  388   3HG2  ILE  57          3HG2      ILE  57   7.358 -11.309  -5.530
  389   1HD1  ILE  57          1HD1      ILE  57   9.776 -13.274  -3.765
  390   2HD1  ILE  57          2HD1      ILE  57   9.787 -13.937  -2.113
  391   3HD1  ILE  57          3HD1      ILE  57   8.461 -14.347  -3.228
  392    H    LEU  58           H        LEU  58  11.048  -9.721  -5.490
  393    HA   LEU  58           HA       LEU  58   9.452  -7.388  -6.256
  394   1HB   LEU  58          2HB       LEU  58  12.340  -8.040  -6.858
  395   2HB   LEU  58          1HB       LEU  58  11.497  -6.568  -7.295
  396    HG   LEU  58           HG       LEU  58  12.233  -7.510  -4.517
  397   1HD1  LEU  58          1HD1      LEU  58  13.988  -6.433  -5.963
  398   2HD1  LEU  58          2HD1      LEU  58  12.997  -4.955  -5.943
  399   3HD1  LEU  58          3HD1      LEU  58  13.655  -5.606  -4.423
  400   1HD2  LEU  58          1HD2      LEU  58  10.521  -5.135  -5.299
  401   2HD2  LEU  58          2HD2      LEU  58  10.003  -6.573  -4.387
  402   3HD2  LEU  58          3HD2      LEU  58  11.179  -5.443  -3.674
  403    H    ASP  59           H        ASP  59   8.764 -10.208  -6.920
  404    HA   ASP  59           HA       ASP  59   9.155 -10.011  -9.804
  405   1HB   ASP  59          1HB       ASP  59   9.642 -12.170  -8.000
  406   2HB   ASP  59          2HB       ASP  59   8.203 -12.619  -8.895
  407    H    LYS  60           H        LYS  60   7.201  -8.562  -9.809
  408    HA   LYS  60           HA       LYS  60   4.780  -9.143  -8.683
  409   1HB   LYS  60          2HB       LYS  60   3.850  -7.574 -10.212
  410   2HB   LYS  60          1HB       LYS  60   5.471  -7.027  -9.831
  411   1HG   LYS  60          2HG       LYS  60   5.998  -7.054 -12.033
  412   2HG   LYS  60          1HG       LYS  60   5.720  -8.783 -12.080
  413   1HD   LYS  60          1HD       LYS  60   3.159  -8.096 -12.227
  414   2HD   LYS  60          2HD       LYS  60   3.789  -6.541 -12.731
  415   1HE   LYS  60          1HE       LYS  60   5.270  -8.029 -14.392
  416   2HE   LYS  60          2HE       LYS  60   4.010  -9.217 -14.122
  417   1HZ   LYS  60          1HZ       LYS  60   2.732  -6.834 -14.564
  418   2HZ   LYS  60          2HZ       LYS  60   3.915  -6.901 -15.688
  419   3HZ   LYS  60          3HZ       LYS  60   2.820  -8.108 -15.583
  420    H    ALA  61           H        ALA  61   2.917 -10.303  -9.289
  421    HA   ALA  61           HA       ALA  61   1.691 -11.813 -10.377
  422   1HB   ALA  61          1HB       ALA  61   3.433 -12.569 -12.574
  423   2HB   ALA  61          3HB       ALA  61   1.851 -11.755 -12.618
  424   3HB   ALA  61          2HB       ALA  61   3.340 -10.797 -12.435
  425    H    ASP  62           H        ASP  62   3.307 -12.469  -8.205
  426    HA   ASP  62           HA       ASP  62   4.478 -15.005  -9.013
  427   1HB   ASP  62          1HB       ASP  62   5.826 -13.258  -7.678
  428   2HB   ASP  62          2HB       ASP  62   4.755 -13.581  -6.330
  429    H    LYS  63           H        LYS  63   4.283 -16.641  -6.909
  430    HA   LYS  63           HA       LYS  63   1.495 -16.480  -5.998
  431   1HB   LYS  63          1HB       LYS  63   2.080 -18.196  -7.855
  432   2HB   LYS  63          2HB       LYS  63   2.895 -19.086  -6.585
  433   1HG   LYS  63          1HG       LYS  63   0.496 -18.494  -5.347
  434   2HG   LYS  63          2HG       LYS  63  -0.021 -18.642  -7.015
  435   1HD   LYS  63          1HD       LYS  63   1.235 -20.874  -7.110
  436   2HD   LYS  63          2HD       LYS  63   1.489 -20.732  -5.382
  437   1HE   LYS  63          1HE       LYS  63  -0.587 -21.550  -4.982
  438   2HE   LYS  63          2HE       LYS  63  -1.305 -20.231  -5.885
  439   1HZ   LYS  63          1HZ       LYS  63  -0.172 -22.585  -7.214
  440   2HZ   LYS  63          2HZ       LYS  63  -1.732 -22.518  -6.737
  441   3HZ   LYS  63          3HZ       LYS  63  -1.172 -21.462  -7.849
  442    H    SER  64           H        SER  64   2.198 -15.424  -4.054
  443    HA   SER  64           HA       SER  64   2.776 -17.215  -2.021
  444   1HB   SER  64          1HB       SER  64   5.097 -16.799  -3.261
  445   2HB   SER  64          2HB       SER  64   5.089 -15.300  -2.354
  446    HG   SER  64           HG       SER  64   4.474 -17.651  -0.887
  447    H    VAL  65           H        VAL  65   2.746 -16.115   0.119
  448    HA   VAL  65           HA       VAL  65   1.212 -13.695  -0.032
  449    HB   VAL  65           HB       VAL  65   0.551 -15.401   1.501
  450   1HG1  VAL  65          1HG1      VAL  65   3.412 -15.568   2.050
  451   2HG1  VAL  65          2HG1      VAL  65   2.444 -15.503   3.542
  452   3HG1  VAL  65          3HG1      VAL  65   2.123 -16.763   2.327
  453   1HG2  VAL  65          1HG2      VAL  65   0.722 -12.799   2.162
  454   2HG2  VAL  65          2HG2      VAL  65   0.035 -14.032   3.245
  455   3HG2  VAL  65          3HG2      VAL  65   1.716 -13.491   3.466
  456    H    ASN  66           H        ASN  66   4.437 -14.270  -0.404
  457    HA   ASN  66           HA       ASN  66   5.285 -12.112   1.314
  458   1HB   ASN  66          1HB       ASN  66   6.886 -13.905  -0.588
  459   2HB   ASN  66          2HB       ASN  66   7.587 -12.757   0.535
  460   2HD2  ASN  66          2HD2      ASN  66   8.703 -14.242   1.708
  461   1HD2  ASN  66          1HD2      ASN  66   7.974 -15.410   2.759
  462    H    SER  67           H        SER  67   3.605 -12.113  -1.399
  463    HA   SER  67           HA       SER  67   5.335 -10.746  -3.187
  464   1HB   SER  67          1HB       SER  67   3.040 -10.312  -4.372
  465   2HB   SER  67          2HB       SER  67   3.661 -11.949  -4.301
  466    HG   SER  67           HG       SER  67   1.419 -11.874  -3.693
  467    H    TRP  68           H        TRP  68   5.566  -8.517  -3.474
  468    HA   TRP  68           HA       TRP  68   4.283  -6.866  -1.448
  469   1HB   TRP  68          1HB       TRP  68   6.575  -6.510  -1.474
  470   2HB   TRP  68          2HB       TRP  68   6.682  -6.578  -3.222
  471    HD1  TRP  68           HD1      TRP  68   6.896  -4.234  -4.355
  472    HE1  TRP  68           HE1      TRP  68   6.422  -1.704  -3.770
  473    HE3  TRP  68           HE3      TRP  68   4.725  -5.137   0.154
  474    HZ2  TRP  68           HZ2      TRP  68   5.219  -0.395  -1.538
  475    HZ3  TRP  68           HZ3      TRP  68   3.929  -3.177   1.473
  476    HH2  TRP  68           HH2      TRP  68   4.147  -0.871   0.695
  477    H    TYR  69           H        TYR  69   3.214  -8.135  -4.099
  478    HA   TYR  69           HA       TYR  69   2.097  -5.607  -5.221
  479   1HB   TYR  69          1HB       TYR  69   3.503  -6.665  -6.858
  480   2HB   TYR  69          2HB       TYR  69   2.778  -8.250  -6.541
  481    HD1  TYR  69           HD1      TYR  69   0.292  -8.567  -7.092
  482    HD2  TYR  69           HD2      TYR  69   2.621  -5.248  -8.511
  483    HE1  TYR  69           HE1      TYR  69  -1.375  -8.164  -8.884
  484    HE2  TYR  69           HE2      TYR  69   0.954  -4.845 -10.303
  485    HH   TYR  69           HH       TYR  69  -2.140  -6.381 -10.400
  486    H    LYS  70           H        LYS  70   1.436  -8.403  -3.356
  487    HA   LYS  70           HA       LYS  70  -1.320  -8.503  -4.325
  488   1HB   LYS  70          1HB       LYS  70  -0.058 -10.626  -4.174
  489   2HB   LYS  70          2HB       LYS  70   0.171 -10.369  -2.456
  490   1HG   LYS  70          1HG       LYS  70  -2.182 -10.561  -1.996
  491   2HG   LYS  70          2HG       LYS  70  -2.612 -10.370  -3.684
  492   1HD   LYS  70          1HD       LYS  70  -2.252 -12.583  -4.161
  493   2HD   LYS  70          2HD       LYS  70  -0.782 -12.651  -3.209
  494   1HE   LYS  70          2HE       LYS  70  -3.652 -12.946  -2.246
  495   2HE   LYS  70          1HE       LYS  70  -2.336 -14.091  -2.083
  496   1HZ   LYS  70          1HZ       LYS  70  -1.301 -12.080  -0.794
  497   2HZ   LYS  70          2HZ       LYS  70  -2.871 -11.705  -0.547
  498   3HZ   LYS  70          3HZ       LYS  70  -2.290 -13.150  -0.057
  499    H    VAL  71           H        VAL  71   0.696  -7.977  -1.376
  500    HA   VAL  71           HA       VAL  71  -1.488  -7.493   0.323
  501    HB   VAL  71           HB       VAL  71   0.224  -6.522   1.801
  502   1HG1  VAL  71          1HG1      VAL  71   0.670  -9.173   0.451
  503   2HG1  VAL  71          2HG1      VAL  71   1.797  -8.615   1.710
  504   3HG1  VAL  71          3HG1      VAL  71   0.070  -8.818   2.088
  505   1HG2  VAL  71          1HG2      VAL  71   1.615  -6.087  -0.664
  506   2HG2  VAL  71          2HG2      VAL  71   2.062  -5.567   0.979
  507   3HG2  VAL  71          3HG2      VAL  71   2.606  -7.148   0.367
  508    H    VAL  72           H        VAL  72  -0.345  -5.775  -2.377
  509    HA   VAL  72           HA       VAL  72  -1.227  -3.213  -1.273
  510    HB   VAL  72           HB       VAL  72   0.341  -3.967  -3.744
  511   1HG1  VAL  72          1HG1      VAL  72  -1.089  -1.471  -3.033
  512   2HG1  VAL  72          2HG1      VAL  72   0.594  -1.264  -3.575
  513   3HG1  VAL  72          3HG1      VAL  72  -0.582  -2.096  -4.621
  514   1HG2  VAL  72          1HG2      VAL  72   1.445  -4.007  -1.434
  515   2HG2  VAL  72          2HG2      VAL  72   2.224  -3.011  -2.685
  516   3HG2  VAL  72          3HG2      VAL  72   1.232  -2.240  -1.424
  517    H    HIS  73           H        HIS  73  -1.706  -5.489  -4.048
  518    HA   HIS  73           HA       HIS  73  -4.201  -4.074  -4.605
  519   1HB   HIS  73          1HB       HIS  73  -2.732  -6.073  -6.342
  520   2HB   HIS  73          2HB       HIS  73  -4.121  -5.108  -6.798
  521    HD1  HIS  73           HD1      HIS  73  -0.404  -4.867  -6.199
  522    HD2  HIS  73           HD2      HIS  73  -3.567  -2.422  -7.471
  523    HE1  HIS  73           HE1      HIS  73   0.664  -2.756  -7.155
  524    H    ASP  74           H        ASP  74  -3.891  -5.809  -2.273
  525    HA   ASP  74           HA       ASP  74  -5.085  -8.289  -3.017
  526   1HB   ASP  74          1HB       ASP  74  -3.816  -7.104  -0.667
  527   2HB   ASP  74          2HB       ASP  74  -5.327  -7.862  -0.205
  528    H    ALA  75           H        ALA  75  -7.280  -8.254  -3.556
  529    HA   ALA  75           HA       ALA  75  -8.980  -6.213  -2.420
  530   1HB   ALA  75          1HB       ALA  75  -9.220  -8.332  -4.561
  531   2HB   ALA  75          3HB       ALA  75 -10.670  -7.513  -3.933
  532   3HB   ALA  75          2HB       ALA  75  -9.377  -6.565  -4.705
  533    H    LYS  76           H        LYS  76  -8.043  -9.536  -1.836
  534    HA   LYS  76           HA       LYS  76 -10.452 -10.237  -0.461
  535   1HB   LYS  76          1HB       LYS  76  -8.752 -11.764  -1.701
  536   2HB   LYS  76          2HB       LYS  76  -7.813 -11.675  -0.224
  537   1HG   LYS  76          1HG       LYS  76 -10.041 -12.322   0.995
  538   2HG   LYS  76          2HG       LYS  76 -10.622 -12.781  -0.593
  539   1HD   LYS  76          2HD       LYS  76  -9.712 -14.807   0.138
  540   2HD   LYS  76          1HD       LYS  76  -8.354 -14.142  -0.748
  541   1HE   LYS  76          1HE       LYS  76  -7.469 -13.179   1.426
  542   2HE   LYS  76          2HE       LYS  76  -8.778 -13.976   2.274
  543   1HZ   LYS  76          1HZ       LYS  76  -7.448 -15.782   0.578
  544   2HZ   LYS  76          2HZ       LYS  76  -6.382 -15.070   1.589
  545   3HZ   LYS  76          3HZ       LYS  76  -7.674 -15.865   2.193
  546    H    GLY  77           H        GLY  77 -10.602 -10.675   1.860
  547   1HA   GLY  77          2HA       GLY  77 -10.419  -8.933   3.657
  548   2HA   GLY  77          1HA       GLY  77  -8.685  -9.075   3.445
  549    H    GLY  78           H        GLY  78  -8.590  -9.723   5.742
  550   1HA   GLY  78          2HA       GLY  78  -8.377 -12.496   6.082
  551   2HA   GLY  78          1HA       GLY  78  -9.913 -11.986   6.753
  552    H    ALA  79           H        ALA  79  -6.359 -11.420   6.865
  553    HA   ALA  79           HA       ALA  79  -6.488 -11.087   9.696
  554   1HB   ALA  79          1HB       ALA  79  -4.100 -11.079   9.566
  555   2HB   ALA  79          3HB       ALA  79  -4.124 -10.606   7.850
  556   3HB   ALA  79          2HB       ALA  79  -4.657 -12.234   8.332
  557    H    LYS  80           H        LYS  80  -5.736  -8.974   6.849
  558    HA   LYS  80           HA       LYS  80  -6.751  -6.716   8.296
  559   1HB   LYS  80          1HB       LYS  80  -4.445  -5.516   7.684
  560   2HB   LYS  80          2HB       LYS  80  -4.742  -6.264   9.240
  561   1HG   LYS  80          1HG       LYS  80  -3.677  -8.381   8.420
  562   2HG   LYS  80          2HG       LYS  80  -3.369  -7.621   6.871
  563   1HD   LYS  80          1HD       LYS  80  -2.221  -6.778   9.571
  564   2HD   LYS  80          2HD       LYS  80  -1.339  -7.504   8.242
  565   1HE   LYS  80          1HE       LYS  80  -1.963  -5.490   6.813
  566   2HE   LYS  80          2HE       LYS  80  -2.675  -4.756   8.236
  567   1HZ   LYS  80          1HZ       LYS  80   0.034  -5.739   8.479
  568   2HZ   LYS  80          2HZ       LYS  80  -0.188  -4.386   7.591
  569   3HZ   LYS  80          3HZ       LYS  80  -0.660  -4.424   9.154
  570    HA   PRO  81           HA       PRO  81  -7.642  -5.479   4.190
  571   1HB   PRO  81          1HB       PRO  81  -7.962  -2.794   4.474
  572   2HB   PRO  81          2HB       PRO  81  -9.025  -3.961   5.327
  573   1HG   PRO  81          1HG       PRO  81  -6.775  -2.639   6.063
  574   2HG   PRO  81          2HG       PRO  81  -8.078  -2.616   7.296
  575   1HD   PRO  81          1HD       PRO  81  -5.967  -4.220   7.664
  576   2HD   PRO  81          2HD       PRO  81  -7.602  -4.908   7.906
  577    H    THR  82           H        THR  82  -6.886  -3.845   2.382
  578    HA   THR  82           HA       THR  82  -4.006  -3.339   2.738
  579    HB   THR  82           HB       THR  82  -3.803  -4.041   0.316
  580    HG1  THR  82           HG1      THR  82  -6.504  -5.038   0.818
  581   1HG2  THR  82          1HG2      THR  82  -4.291  -5.779   2.556
  582   2HG2  THR  82          2HG2      THR  82  -5.183  -6.446   1.168
  583   3HG2  THR  82          3HG2      THR  82  -3.428  -6.170   1.049
  584    H    CYS  83           H        CYS  83  -3.657  -2.129   0.172
  585    HA   CYS  83           HA       CYS  83  -4.661   0.453   0.856
  586   1HB   CYS  83          1HB       CYS  83  -3.240  -0.170  -1.712
  587   2HB   CYS  83          2HB       CYS  83  -3.220   1.301  -0.760
  588    H    ILE  84           H        ILE  84  -6.087  -2.211  -0.502
  589    HA   ILE  84           HA       ILE  84  -7.642  -0.598  -2.403
  590    HB   ILE  84           HB       ILE  84  -6.709  -3.432  -2.428
  591   1HG1  ILE  84          1HG1      ILE  84  -5.493  -1.738  -3.705
  592   2HG1  ILE  84          2HG1      ILE  84  -6.232  -2.927  -4.759
  593   1HG2  ILE  84          1HG2      ILE  84  -9.406  -2.510  -3.232
  594   2HG2  ILE  84          2HG2      ILE  84  -8.533  -3.515  -4.413
  595   3HG2  ILE  84          3HG2      ILE  84  -8.827  -4.128  -2.768
  596   1HD1  ILE  84          1HD1      ILE  84  -8.244  -1.249  -4.894
  597   2HD1  ILE  84          2HD1      ILE  84  -7.081  -0.059  -4.262
  598   3HD1  ILE  84          3HD1      ILE  84  -6.764  -0.878  -5.810
  599    H    SER  85           H        SER  85  -7.760  -3.167   0.139
  600    HA   SER  85           HA       SER  85 -10.456  -3.460   0.251
  601   1HB   SER  85          1HB       SER  85  -8.533  -4.658   1.548
  602   2HB   SER  85          2HB       SER  85  -8.731  -3.398   2.750
  603    HG   SER  85           HG       SER  85 -10.297  -4.625   3.531
  604    H    CYS  86           H        CYS  86  -8.418  -1.248   2.312
  605    HA   CYS  86           HA       CYS  86 -10.585   0.013   3.511
  606   1HB   CYS  86          1HB       CYS  86  -8.044   0.010   4.126
  607   2HB   CYS  86          2HB       CYS  86  -7.949   1.405   3.070
  608    H    HIS  87           H        HIS  87  -8.370   1.154   0.847
  609    HA   HIS  87           HA       HIS  87  -9.650   3.450   0.210
  610   1HB   HIS  87          1HB       HIS  87  -8.096   1.453  -1.413
  611   2HB   HIS  87          2HB       HIS  87  -8.823   2.837  -2.205
  612    HD1  HIS  87           HD1      HIS  87  -6.535   3.924  -2.748
  613    HD2  HIS  87           HD2      HIS  87  -7.203   3.314   1.348
  614    HE1  HIS  87           HE1      HIS  87  -4.715   5.229  -1.525
  615    H    LYS  88           H        LYS  88 -10.659   0.107  -0.436
  616    HA   LYS  88           HA       LYS  88 -12.602   0.781  -2.383
  617   1HB   LYS  88          1HB       LYS  88 -11.869  -1.640  -0.786
  618   2HB   LYS  88          2HB       LYS  88 -13.452  -1.595  -1.535
  619   1HG   LYS  88          1HG       LYS  88 -10.940  -0.919  -3.114
  620   2HG   LYS  88          2HG       LYS  88 -11.472  -2.577  -2.921
  621   1HD   LYS  88          1HD       LYS  88 -13.752  -0.952  -3.684
  622   2HD   LYS  88          2HD       LYS  88 -12.434  -0.622  -4.790
  623   1HE   LYS  88          1HE       LYS  88 -12.964  -3.507  -4.103
  624   2HE   LYS  88          2HE       LYS  88 -14.122  -2.705  -5.145
  625   1HZ   LYS  88          1HZ       LYS  88 -11.380  -2.239  -5.829
  626   2HZ   LYS  88          2HZ       LYS  88 -11.861  -3.790  -5.993
  627   3HZ   LYS  88          3HZ       LYS  88 -12.648  -2.603  -6.792
  628    H    ASP  89           H        ASP  89 -12.728   0.084   1.173
  629    HA   ASP  89           HA       ASP  89 -15.423   0.344   1.460
  630   1HB   ASP  89          1HB       ASP  89 -13.404  -0.192   3.146
  631   2HB   ASP  89          2HB       ASP  89 -13.571   1.505   3.547
  632    H    LYS  90           H        LYS  90 -12.794   2.801   1.324
  633    HA   LYS  90           HA       LYS  90 -14.249   5.004   2.192
  634   1HB   LYS  90          1HB       LYS  90 -11.718   4.494   0.753
  635   2HB   LYS  90          2HB       LYS  90 -12.436   6.060   0.437
  636   1HG   LYS  90          1HG       LYS  90 -12.008   4.946   3.248
  637   2HG   LYS  90          2HG       LYS  90 -10.853   5.985   2.437
  638   1HD   LYS  90          1HD       LYS  90 -12.322   7.855   2.447
  639   2HD   LYS  90          2HD       LYS  90 -13.747   6.860   2.673
  640   1HE   LYS  90          1HE       LYS  90 -11.555   7.327   4.751
  641   2HE   LYS  90          2HE       LYS  90 -13.151   8.049   4.771
  642   1HZ   LYS  90          1HZ       LYS  90 -13.708   5.449   4.564
  643   2HZ   LYS  90          2HZ       LYS  90 -12.361   5.403   5.488
  644   3HZ   LYS  90          3HZ       LYS  90 -13.656   6.271   5.974
  645    H    ALA  91           H        ALA  91 -13.918   3.473  -1.049
  646    HA   ALA  91           HA       ALA  91 -15.559   5.504  -2.258
  647   1HB   ALA  91          1HB       ALA  91 -15.191   3.080  -3.822
  648   2HB   ALA  91          3HB       ALA  91 -14.583   4.725  -4.127
  649   3HB   ALA  91          2HB       ALA  91 -13.650   3.606  -3.104
  650    H    GLY  92           H        GLY  92 -15.939   1.913  -2.456
  651   1HA   GLY  92          2HA       GLY  92 -18.169   1.474  -0.993
  652   2HA   GLY  92          1HA       GLY  92 -17.826   0.672  -2.513
  653    H    ASP  93           H        ASP  93 -18.910   1.290  -4.435
  654    HA   ASP  93           HA       ASP  93 -20.815   1.830  -5.413
  655   1HB   ASP  93          2HB       ASP  93 -22.630   2.592  -4.237
  656   2HB   ASP  93          1HB       ASP  93 -21.613   2.283  -2.844
  657    H    ASP  94           H        ASP  94 -19.288   4.537  -3.518
  658    HA   ASP  94           HA       ASP  94 -19.845   6.570  -5.241
  659   1HB   ASP  94          1HB       ASP  94 -18.739   6.642  -2.920
  660   2HB   ASP  94          2HB       ASP  94 -17.228   6.235  -3.708
  661    H    LYS  95           H        LYS  95 -19.521   6.102  -7.483
  662    HA   LYS  95           HA       LYS  95 -17.200   4.781  -8.415
  663   1HB   LYS  95          1HB       LYS  95 -19.495   6.241  -9.714
  664   2HB   LYS  95          2HB       LYS  95 -18.124   5.704 -10.664
  665   1HG   LYS  95          1HG       LYS  95 -19.071   3.600  -8.832
  666   2HG   LYS  95          2HG       LYS  95 -20.345   4.147  -9.903
  667   1HD   LYS  95          1HD       LYS  95 -19.447   2.847 -11.530
  668   2HD   LYS  95          2HD       LYS  95 -18.077   3.939 -11.577
  669   1HE   LYS  95          2HE       LYS  95 -16.756   2.256 -10.825
  670   2HE   LYS  95          1HE       LYS  95 -17.629   2.286  -9.306
  671   1HZ   LYS  95          1HZ       LYS  95 -18.633   0.823 -11.638
  672   2HZ   LYS  95          2HZ       LYS  95 -17.627   0.139 -10.547
  673   3HZ   LYS  95          3HZ       LYS  95 -19.099   0.669 -10.080
  674    H    GLU  96           H        GLU  96 -18.151   8.183  -7.890
  675    HA   GLU  96           HA       GLU  96 -16.052   9.265  -9.382
  676   1HB   GLU  96          1HB       GLU  96 -17.647  10.438  -7.061
  677   2HB   GLU  96          2HB       GLU  96 -16.588  11.367  -8.104
  678   1HG   GLU  96          1HG       GLU  96 -17.987  11.101  -9.995
  679   2HG   GLU  96          2HG       GLU  96 -18.755   9.661  -9.355
  680    H    LEU  97           H        LEU  97 -16.321   7.945  -6.106
  681    HA   LEU  97           HA       LEU  97 -13.695   9.015  -5.424
  682   1HB   LEU  97          1HB       LEU  97 -15.737   9.132  -3.898
  683   2HB   LEU  97          2HB       LEU  97 -15.540   7.405  -3.670
  684    HG   LEU  97           HG       LEU  97 -14.539   8.590  -1.826
  685   1HD1  LEU  97          1HD1      LEU  97 -13.384   6.549  -3.085
  686   2HD1  LEU  97          2HD1      LEU  97 -12.085   7.748  -3.291
  687   3HD1  LEU  97          3HD1      LEU  97 -12.656   7.326  -1.659
  688   1HD2  LEU  97          1HD2      LEU  97 -13.658  10.408  -3.875
  689   2HD2  LEU  97          2HD2      LEU  97 -13.673  10.612  -2.107
  690   3HD2  LEU  97          3HD2      LEU  97 -12.268   9.865  -2.905
  691    H    LYS  98           H        LYS  98 -15.289   6.189  -6.678
  692    HA   LYS  98           HA       LYS  98 -13.191   4.407  -5.794
  693   1HB   LYS  98          1HB       LYS  98 -15.586   3.718  -5.882
  694   2HB   LYS  98          2HB       LYS  98 -15.553   3.895  -7.625
  695   1HG   LYS  98          1HG       LYS  98 -13.280   2.287  -6.712
  696   2HG   LYS  98          2HG       LYS  98 -14.786   1.612  -6.123
  697   1HD   LYS  98          1HD       LYS  98 -15.603   2.034  -8.632
  698   2HD   LYS  98          2HD       LYS  98 -13.885   2.030  -8.980
  699   1HE   LYS  98          1HE       LYS  98 -14.681  -0.246  -9.253
  700   2HE   LYS  98          2HE       LYS  98 -13.702  -0.209  -7.800
  701   1HZ   LYS  98          1HZ       LYS  98 -16.443   0.385  -7.317
  702   2HZ   LYS  98          2HZ       LYS  98 -16.221  -1.107  -7.944
  703   3HZ   LYS  98          3HZ       LYS  98 -15.462  -0.681  -6.563
  704    H    LYS  99           H        LYS  99 -12.664   6.842  -7.541
  705    HA   LYS  99           HA       LYS  99 -11.208   5.357  -9.588
  706   1HB   LYS  99          1HB       LYS  99 -13.303   7.430 -10.053
  707   2HB   LYS  99          2HB       LYS  99 -11.863   7.510 -11.048
  708   1HG   LYS  99          1HG       LYS  99 -12.869   4.749 -10.774
  709   2HG   LYS  99          2HG       LYS  99 -14.071   5.823 -11.460
  710   1HD   LYS  99          1HD       LYS  99 -12.671   6.418 -13.304
  711   2HD   LYS  99          2HD       LYS  99 -11.219   5.851 -12.504
  712   1HE   LYS  99          1HE       LYS  99 -11.545   4.010 -13.854
  713   2HE   LYS  99          2HE       LYS  99 -12.593   3.509 -12.542
  714   1HZ   LYS  99          1HZ       LYS  99 -14.249   4.997 -13.950
  715   2HZ   LYS  99          2HZ       LYS  99 -13.292   4.461 -15.160
  716   3HZ   LYS  99          3HZ       LYS  99 -14.066   3.394 -14.197
  717    H    LYS 100           H        LYS 100 -10.079   6.076  -7.211
  718    HA   LYS 100           HA       LYS 100  -8.076   7.880  -8.081
  719   1HB   LYS 100          1HB       LYS 100  -8.538   9.418  -5.991
  720   2HB   LYS 100          2HB       LYS 100  -9.286   9.741  -7.542
  721   1HG   LYS 100          1HG       LYS 100 -11.321   8.452  -6.803
  722   2HG   LYS 100          2HG       LYS 100 -10.574   8.201  -5.238
  723   1HD   LYS 100          1HD       LYS 100 -12.082  10.109  -5.065
  724   2HD   LYS 100          2HD       LYS 100 -10.437  10.696  -4.925
  725   1HE   LYS 100          1HE       LYS 100 -10.445  11.355  -7.326
  726   2HE   LYS 100          2HE       LYS 100 -12.065  10.714  -7.513
  727   1HZ   LYS 100          1HZ       LYS 100 -11.372  12.845  -5.614
  728   2HZ   LYS 100          2HZ       LYS 100 -11.978  13.113  -7.107
  729   3HZ   LYS 100          3HZ       LYS 100 -12.873  12.324  -5.992
  730    H    LEU 101           H        LEU 101  -9.731   6.316  -5.271
  731    HA   LEU 101           HA       LEU 101  -7.154   5.859  -4.031
  732   1HB   LEU 101          1HB       LEU 101  -9.863   4.948  -3.077
  733   2HB   LEU 101          2HB       LEU 101  -8.387   5.109  -2.146
  734    HG   LEU 101           HG       LEU 101 -10.159   7.305  -3.224
  735   1HD1  LEU 101          1HD1      LEU 101 -10.585   6.070  -0.996
  736   2HD1  LEU 101          2HD1      LEU 101  -9.175   6.977  -0.398
  737   3HD1  LEU 101          3HD1      LEU 101 -10.602   7.850  -1.006
  738   1HD2  LEU 101          1HD2      LEU 101  -7.271   7.385  -2.677
  739   2HD2  LEU 101          2HD2      LEU 101  -8.305   8.505  -3.596
  740   3HD2  LEU 101          3HD2      LEU 101  -8.216   8.628  -1.823
  741    H    THR 102           H        THR 102  -9.588   4.208  -6.001
  742    HA   THR 102           HA       THR 102  -7.946   1.768  -5.807
  743    HB   THR 102           HB       THR 102 -10.018   0.495  -6.030
  744    HG1  THR 102           HG1      THR 102 -11.409   1.667  -7.317
  745   1HG2  THR 102          1HG2      THR 102  -9.595   1.591  -3.719
  746   2HG2  THR 102          2HG2      THR 102 -10.765   2.836  -4.216
  747   3HG2  THR 102          3HG2      THR 102 -11.280   1.139  -4.070
  748    H    GLY 103           H        GLY 103  -8.653   4.417  -7.694
  749   1HA   GLY 103          2HA       GLY 103  -8.230   4.865  -9.858
  750   2HA   GLY 103          1HA       GLY 103  -9.268   3.497 -10.205
  751    H    CYS 104           H        CYS 104  -8.337   2.044 -11.568
  752    HA   CYS 104           HA       CYS 104  -5.847   0.889 -10.939
  753   1HB   CYS 104          1HB       CYS 104  -7.937   0.553 -12.991
  754   2HB   CYS 104          2HB       CYS 104  -6.319   0.145 -13.526
  755    H    LYS 105           H        LYS 105  -7.035   3.125 -13.549
  756    HA   LYS 105           HA       LYS 105  -4.244   3.974 -13.893
  757   1HB   LYS 105          1HB       LYS 105  -4.727   4.307 -16.285
  758   2HB   LYS 105          2HB       LYS 105  -4.859   2.628 -15.803
  759   1HG   LYS 105          1HG       LYS 105  -7.209   2.613 -15.972
  760   2HG   LYS 105          2HG       LYS 105  -7.347   4.342 -15.719
  761   1HD   LYS 105          1HD       LYS 105  -7.295   4.731 -17.953
  762   2HD   LYS 105          2HD       LYS 105  -5.773   3.878 -18.112
  763   1HE   LYS 105          1HE       LYS 105  -8.532   2.561 -18.063
  764   2HE   LYS 105          2HE       LYS 105  -7.572   2.841 -19.502
  765   1HZ   LYS 105          1HZ       LYS 105  -5.807   1.525 -18.240
  766   2HZ   LYS 105          2HZ       LYS 105  -7.040   1.001 -17.305
  767   3HZ   LYS 105          3HZ       LYS 105  -7.051   0.706 -18.911
  768    H    GLY 106           H        GLY 106  -3.873   6.139 -13.685
  769   1HA   GLY 106          2HA       GLY 106  -5.926   8.075 -14.194
  770   2HA   GLY 106          1HA       GLY 106  -4.305   8.362 -13.595
  771    H    SER 107           H        SER 107  -4.267   6.714 -11.271
  772    HA   SER 107           HA       SER 107  -6.420   7.924  -9.720
  773   1HB   SER 107          1HB       SER 107  -6.381   6.052  -8.252
  774   2HB   SER 107          2HB       SER 107  -6.280   5.362  -9.859
  775    HG   SER 107           HG       SER 107  -4.599   4.332  -8.969
  776    H    ALA 108           H        ALA 108  -5.579   7.960  -7.192
  777    HA   ALA 108           HA       ALA 108  -3.475   9.863  -7.210
  778   1HB   ALA 108          1HB       ALA 108  -4.141  10.267  -5.043
  779   2HB   ALA 108          3HB       ALA 108  -5.606   9.446  -5.635
  780   3HB   ALA 108          2HB       ALA 108  -4.402   8.542  -4.685
  781    H    CYS 109           H        CYS 109  -3.480   6.493  -7.468
  782    HA   CYS 109           HA       CYS 109  -0.975   6.251  -5.988
  783   1HB   CYS 109          1HB       CYS 109  -2.925   4.166  -7.007
  784   2HB   CYS 109          2HB       CYS 109  -1.341   3.764  -6.376
  785    H    HIS 110           H        HIS 110  -2.594   5.636  -9.172
  786    HA   HIS 110           HA       HIS 110   0.085   5.585 -10.362
  787   1HB   HIS 110          1HB       HIS 110  -2.428   4.170 -11.295
  788   2HB   HIS 110          2HB       HIS 110  -0.903   4.191 -12.157
  789    HD1  HIS 110           HD1      HIS 110   1.171   3.485 -10.119
  790    HD2  HIS 110           HD2      HIS 110  -2.639   1.729 -10.113
  791    HE1  HIS 110           HE1      HIS 110   1.400   1.284  -8.849
  792    HA   PRO 111           HA       PRO 111  -1.943   9.248 -12.113
  793   1HB   PRO 111          1HB       PRO 111  -0.129  11.108 -11.396
  794   2HB   PRO 111          2HB       PRO 111  -1.222  10.385 -10.171
  795   1HG   PRO 111          2HG       PRO 111   1.438   9.686 -11.059
  796   2HG   PRO 111          1HG       PRO 111   1.268   9.723  -9.274
  797   1HD   PRO 111          1HD       PRO 111   1.297   7.367 -10.613
  798   2HD   PRO 111          2HD       PRO 111   0.133   7.614  -9.276
  799    H    SER 112           H        SER 112  -1.276   7.779 -14.092
  800    HA   SER 112           HA       SER 112   0.709   9.300 -15.507
  801   1HB   SER 112          1HB       SER 112   1.211   6.608 -14.488
  802   2HB   SER 112          2HB       SER 112   1.288   6.621 -16.238
  803    HG   SER 112           HG       SER 112   3.247   7.300 -14.684

  No H/Q in entry =         803
  Start of MODEL    8
    1    H1   VAL   1           H1       VAL   1   6.756   7.964  16.439
    2    H2   VAL   1           H2       VAL   1   7.272   7.247  17.840
    3    H3   VAL   1           H3       VAL   1   7.206   8.898  17.730
    4    HA   VAL   1           HA       VAL   1   9.417   8.233  17.584
    5    HB   VAL   1           HB       VAL   1  10.087   6.404  16.521
    6   1HG1  VAL   1          1HG1      VAL   1   7.851   5.741  17.566
    7   2HG1  VAL   1          2HG1      VAL   1   7.190   5.775  15.913
    8   3HG1  VAL   1          3HG1      VAL   1   8.509   4.652  16.321
    9   1HG2  VAL   1          1HG2      VAL   1   8.435   7.406  14.200
   10   2HG2  VAL   1          2HG2      VAL   1  10.205   7.284  14.349
   11   3HG2  VAL   1          3HG2      VAL   1   9.224   5.811  14.163
   12    H    ASP   2           H        ASP   2   7.013   9.878  16.127
   13    HA   ASP   2           HA       ASP   2   7.110  11.823  15.105
   14   1HB   ASP   2          2HB       ASP   2   9.880  11.364  13.983
   15   2HB   ASP   2          1HB       ASP   2   9.116  12.878  14.425
   16    H    VAL   3           H        VAL   3   5.566  10.832  13.607
   17    HA   VAL   3           HA       VAL   3   6.222   9.134  11.536
   18    HB   VAL   3           HB       VAL   3   3.963  10.063  12.563
   19   1HG1  VAL   3          1HG1      VAL   3   4.214  12.338  11.689
   20   2HG1  VAL   3          2HG1      VAL   3   4.281  11.704  10.027
   21   3HG1  VAL   3          3HG1      VAL   3   2.789  11.540  10.982
   22   1HG2  VAL   3          1HG2      VAL   3   4.274   9.126   9.690
   23   2HG2  VAL   3          2HG2      VAL   3   4.158   8.091  11.134
   24   3HG2  VAL   3          3HG2      VAL   3   2.767   9.085  10.637
   25    HA   PRO   4           HA       PRO   4   9.013  11.440   9.029
   26   1HB   PRO   4          1HB       PRO   4   7.650   9.719   6.934
   27   2HB   PRO   4          2HB       PRO   4   9.391  10.011   7.253
   28   1HG   PRO   4          1HG       PRO   4   8.317   7.746   8.148
   29   2HG   PRO   4          2HG       PRO   4   9.604   8.600   9.061
   30   1HD   PRO   4          2HD       PRO   4   6.637   8.390   9.582
   31   2HD   PRO   4          1HD       PRO   4   7.976   8.653  10.740
   32    H    ALA   5           H        ALA   5   8.831  12.881   7.013
   33    HA   ALA   5           HA       ALA   5   6.322  14.286   7.165
   34   1HB   ALA   5          1HB       ALA   5   7.531  16.047   6.378
   35   2HB   ALA   5          3HB       ALA   5   8.359  15.062   5.149
   36   3HB   ALA   5          2HB       ALA   5   8.929  15.044   6.835
   37    H    ASP   6           H        ASP   6   4.916  14.697   5.348
   38    HA   ASP   6           HA       ASP   6   4.322  12.465   3.898
   39   1HB   ASP   6          1HB       ASP   6   2.655  13.773   2.889
   40   2HB   ASP   6          2HB       ASP   6   2.978  14.675   4.356
   41    H    GLY   7           H        GLY   7   3.963  13.365   1.176
   42   1HA   GLY   7          2HA       GLY   7   6.268  14.477   0.010
   43   2HA   GLY   7          1HA       GLY   7   5.022  13.547  -0.799
   44    H    ALA   8           H        ALA   8   5.192  11.047   0.516
   45    HA   ALA   8           HA       ALA   8   7.988  10.258   0.175
   46   1HB   ALA   8          1HB       ALA   8   5.581   8.938   1.485
   47   2HB   ALA   8          3HB       ALA   8   7.021   9.608   2.287
   48   3HB   ALA   8          2HB       ALA   8   7.161   8.142   1.288
   49    H    LYS   9           H        LYS   9   8.628   8.793  -1.410
   50    HA   LYS   9           HA       LYS   9   6.511   8.071  -3.315
   51   1HB   LYS   9          1HB       LYS   9   9.421   8.778  -3.763
   52   2HB   LYS   9          2HB       LYS   9   8.420   8.022  -4.986
   53   1HG   LYS   9          1HG       LYS   9   6.990   9.904  -5.176
   54   2HG   LYS   9          2HG       LYS   9   7.417  10.518  -3.592
   55   1HD   LYS   9          1HD       LYS   9   9.621  11.212  -4.357
   56   2HD   LYS   9          2HD       LYS   9   9.431  10.358  -5.876
   57   1HE   LYS   9          1HE       LYS   9   7.371  12.450  -5.188
   58   2HE   LYS   9          2HE       LYS   9   8.964  13.007  -5.662
   59   1HZ   LYS   9          1HZ       LYS   9   8.278  11.030  -7.434
   60   2HZ   LYS   9          2HZ       LYS   9   6.939  11.951  -7.274
   61   3HZ   LYS   9          3HZ       LYS   9   8.351  12.634  -7.727
   62    H    ILE  10           H        ILE  10   6.292   5.934  -3.932
   63    HA   ILE  10           HA       ILE  10   8.132   4.081  -2.584
   64    HB   ILE  10           HB       ILE  10   5.226   3.640  -3.274
   65   1HG1  ILE  10          1HG1      ILE  10   6.225   3.937  -0.463
   66   2HG1  ILE  10          2HG1      ILE  10   5.929   5.382  -1.410
   67   1HG2  ILE  10          1HG2      ILE  10   7.382   1.876  -2.460
   68   2HG2  ILE  10          2HG2      ILE  10   6.040   1.855  -1.291
   69   3HG2  ILE  10          3HG2      ILE  10   5.732   1.492  -3.007
   70   1HD1  ILE  10          1HD1      ILE  10   3.824   3.213  -1.378
   71   2HD1  ILE  10          2HD1      ILE  10   3.973   4.304   0.020
   72   3HD1  ILE  10          3HD1      ILE  10   3.628   4.969  -1.595
   73    H    ASP  11           H        ASP  11   9.340   2.789  -3.873
   74    HA   ASP  11           HA       ASP  11   8.291   1.934  -6.368
   75   1HB   ASP  11          1HB       ASP  11   9.117   4.023  -7.205
   76   2HB   ASP  11          2HB       ASP  11  10.554   3.953  -6.204
   77    H    PHE  12           H        PHE  12   8.742  -0.215  -5.653
   78    HA   PHE  12           HA       PHE  12  11.564  -0.758  -5.045
   79   1HB   PHE  12          1HB       PHE  12   8.900  -2.003  -4.152
   80   2HB   PHE  12          2HB       PHE  12  10.431  -2.806  -3.864
   81    HD1  PHE  12           HD1      PHE  12  12.173  -0.583  -3.066
   82    HD2  PHE  12           HD2      PHE  12   8.122  -1.355  -2.068
   83    HE1  PHE  12           HE1      PHE  12  12.452   0.713  -0.935
   84    HE2  PHE  12           HE2      PHE  12   8.400  -0.059   0.064
   85    HZ   PHE  12           HZ       PHE  12  10.562   0.960   0.604
   86    H    ILE  13           H        ILE  13   8.660  -1.595  -6.918
   87    HA   ILE  13           HA       ILE  13   9.938  -3.940  -8.028
   88    HB   ILE  13           HB       ILE  13   7.246  -2.640  -8.396
   89   1HG1  ILE  13          1HG1      ILE  13   7.947  -5.369  -7.289
   90   2HG1  ILE  13          2HG1      ILE  13   7.789  -3.941  -6.286
   91   1HG2  ILE  13          1HG2      ILE  13   8.652  -4.402 -10.210
   92   2HG2  ILE  13          2HG2      ILE  13   7.180  -5.178  -9.578
   93   3HG2  ILE  13          3HG2      ILE  13   7.074  -3.598 -10.392
   94   1HD1  ILE  13          1HD1      ILE  13   5.457  -3.637  -7.451
   95   2HD1  ILE  13          2HD1      ILE  13   5.657  -5.342  -7.924
   96   3HD1  ILE  13          3HD1      ILE  13   5.628  -4.894  -6.202
   97    H    ALA  14           H        ALA  14  11.832  -2.782  -8.887
   98    HA   ALA  14           HA       ALA  14  11.791  -0.675 -10.604
   99   1HB   ALA  14          1HB       ALA  14  13.881  -1.505  -9.880
  100   2HB   ALA  14          3HB       ALA  14  13.847  -1.885 -11.618
  101   3HB   ALA  14          2HB       ALA  14  13.514  -3.160 -10.422
  102    H    GLY  15           H        GLY  15  12.357  -0.878 -13.094
  103   1HA   GLY  15          2HA       GLY  15  10.028  -1.894 -14.361
  104   2HA   GLY  15          1HA       GLY  15  11.394  -2.950 -14.660
  105    H    GLY  16           H        GLY  16  13.582  -1.453 -15.037
  106   1HA   GLY  16          2HA       GLY  16  13.293  -0.351 -17.573
  107   2HA   GLY  16          1HA       GLY  16  14.659  -0.129 -16.497
  108    H    GLU  17           H        GLU  17  13.232   1.793 -18.367
  109    HA   GLU  17           HA       GLU  17  13.012   3.895 -16.410
  110   1HB   GLU  17          1HB       GLU  17  13.424   3.770 -19.398
  111   2HB   GLU  17          2HB       GLU  17  12.806   5.253 -18.698
  112   1HG   GLU  17          1HG       GLU  17  15.398   3.842 -17.912
  113   2HG   GLU  17          2HG       GLU  17  15.273   5.328 -18.832
  114    H    LYS  18           H        LYS  18  10.882   1.812 -16.688
  115    HA   LYS  18           HA       LYS  18   8.684   3.673 -17.151
  116   1HB   LYS  18          1HB       LYS  18   7.428   1.949 -18.396
  117   2HB   LYS  18          2HB       LYS  18   8.853   2.504 -19.252
  118   1HG   LYS  18          1HG       LYS  18  10.038   0.452 -18.043
  119   2HG   LYS  18          2HG       LYS  18   8.401  -0.142 -17.848
  120   1HD   LYS  18          2HD       LYS  18   8.404  -0.874 -19.991
  121   2HD   LYS  18          1HD       LYS  18   8.620   0.770 -20.558
  122   1HE   LYS  18          1HE       LYS  18  11.177   0.304 -19.841
  123   2HE   LYS  18          2HE       LYS  18  10.698  -1.364 -20.083
  124   1HZ   LYS  18          1HZ       LYS  18   9.896   0.476 -22.145
  125   2HZ   LYS  18          2HZ       LYS  18  11.502   0.201 -22.031
  126   3HZ   LYS  18          3HZ       LYS  18  10.475  -1.046 -22.272
  127    H    ASN  19           H        ASN  19   9.669   3.231 -14.669
  128    HA   ASN  19           HA       ASN  19   8.120   1.031 -13.597
  129   1HB   ASN  19          1HB       ASN  19   9.400   1.933 -11.414
  130   2HB   ASN  19          2HB       ASN  19  10.223   0.909 -12.573
  131   2HD2  ASN  19          2HD2      ASN  19   9.367   4.347 -12.170
  132   1HD2  ASN  19          1HD2      ASN  19  10.905   5.009 -12.612
  133    H    LEU  20           H        LEU  20   6.271   1.451 -12.320
  134    HA   LEU  20           HA       LEU  20   5.319   4.150 -12.278
  135   1HB   LEU  20          1HB       LEU  20   4.208   1.520 -11.304
  136   2HB   LEU  20          2HB       LEU  20   3.376   3.047 -11.085
  137    HG   LEU  20           HG       LEU  20   4.142   1.835 -13.756
  138   1HD1  LEU  20          1HD1      LEU  20   1.906   1.345 -12.002
  139   2HD1  LEU  20          2HD1      LEU  20   1.349   2.069 -13.529
  140   3HD1  LEU  20          3HD1      LEU  20   2.324   0.580 -13.554
  141   1HD2  LEU  20          1HD2      LEU  20   3.146   4.498 -12.974
  142   2HD2  LEU  20          2HD2      LEU  20   4.011   3.970 -14.437
  143   3HD2  LEU  20          3HD2      LEU  20   2.255   3.718 -14.302
  144    H    THR  21           H        THR  21   5.260   5.582 -10.579
  145    HA   THR  21           HA       THR  21   6.417   4.599  -8.052
  146    HB   THR  21           HB       THR  21   6.701   7.437  -9.119
  147    HG1  THR  21           HG1      THR  21   8.344   6.631 -10.428
  148   1HG2  THR  21          1HG2      THR  21   8.003   5.680  -7.044
  149   2HG2  THR  21          2HG2      THR  21   9.061   6.787  -7.949
  150   3HG2  THR  21          3HG2      THR  21   7.698   7.433  -7.004
  151    H    VAL  22           H        VAL  22   4.912   4.465  -6.518
  152    HA   VAL  22           HA       VAL  22   2.611   6.236  -6.717
  153    HB   VAL  22           HB       VAL  22   3.245   3.806  -5.038
  154   1HG1  VAL  22          1HG1      VAL  22   0.784   5.579  -5.031
  155   2HG1  VAL  22          2HG1      VAL  22   0.836   3.942  -4.333
  156   3HG1  VAL  22          3HG1      VAL  22   1.875   5.227  -3.671
  157   1HG2  VAL  22          1HG2      VAL  22   2.103   4.194  -7.662
  158   2HG2  VAL  22          2HG2      VAL  22   2.487   2.680  -6.808
  159   3HG2  VAL  22          3HG2      VAL  22   0.902   3.456  -6.574
  160    H    VAL  23           H        VAL  23   2.112   7.827  -5.208
  161    HA   VAL  23           HA       VAL  23   4.295   8.429  -3.349
  162    HB   VAL  23           HB       VAL  23   2.123  10.147  -4.562
  163   1HG1  VAL  23          1HG1      VAL  23   4.063  10.643  -2.342
  164   2HG1  VAL  23          2HG1      VAL  23   3.764  11.961  -3.500
  165   3HG1  VAL  23          3HG1      VAL  23   2.411  11.260  -2.581
  166   1HG2  VAL  23          1HG2      VAL  23   4.991   9.629  -5.209
  167   2HG2  VAL  23          2HG2      VAL  23   3.617   9.982  -6.284
  168   3HG2  VAL  23          3HG2      VAL  23   4.396  11.299  -5.373
  169    H    PHE  24           H        PHE  24   3.917   8.656  -1.139
  170    HA   PHE  24           HA       PHE  24   1.171   8.046  -0.298
  171   1HB   PHE  24          1HB       PHE  24   2.963   6.193  -0.068
  172   2HB   PHE  24          2HB       PHE  24   3.852   7.265   0.995
  173    HD1  PHE  24           HD1      PHE  24   0.463   5.741   0.650
  174    HD2  PHE  24           HD2      PHE  24   3.504   7.107   3.275
  175    HE1  PHE  24           HE1      PHE  24  -0.844   4.879   2.612
  176    HE2  PHE  24           HE2      PHE  24   2.198   6.245   5.238
  177    HZ   PHE  24           HZ       PHE  24   0.039   5.142   4.883
  178    H    ASN  25           H        ASN  25   1.034   8.549   2.254
  179    HA   ASN  25           HA       ASN  25   2.642  10.759   3.027
  180   1HB   ASN  25          1HB       ASN  25   0.028  11.820   3.397
  181   2HB   ASN  25          2HB       ASN  25   1.256  12.425   2.303
  182   2HD2  ASN  25          2HD2      ASN  25   1.076  12.148   0.161
  183   1HD2  ASN  25          1HD2      ASN  25  -0.241  11.361  -0.643
  184    H    HIS  26           H        HIS  26   2.878  10.444   5.248
  185    HA   HIS  26           HA       HIS  26   1.179   8.580   6.562
  186   1HB   HIS  26          1HB       HIS  26   3.657  10.105   7.195
  187   2HB   HIS  26          2HB       HIS  26   2.681   9.593   8.557
  188    HD1  HIS  26           HD1      HIS  26   4.792   8.236   5.740
  189    HD2  HIS  26           HD2      HIS  26   2.646   6.814   9.052
  190    HE1  HIS  26           HE1      HIS  26   5.479   5.798   6.044
  191    H    SER  27           H        SER  27   1.147  12.006   5.987
  192    HA   SER  27           HA       SER  27  -0.407  12.539   8.341
  193   1HB   SER  27          2HB       SER  27  -0.447  14.878   7.461
  194   2HB   SER  27          1HB       SER  27   1.179  14.243   7.614
  195    HG   SER  27           HG       SER  27   1.153  15.153   5.589
  196    H    THR  28           H        THR  28  -1.217  10.717   5.917
  197    HA   THR  28           HA       THR  28  -3.754  12.093   5.320
  198    HB   THR  28           HB       THR  28  -2.208   9.980   3.726
  199    HG1  THR  28           HG1      THR  28  -2.157  12.075   2.337
  200   1HG2  THR  28          1HG2      THR  28  -4.853  10.269   3.491
  201   2HG2  THR  28          2HG2      THR  28  -4.405  11.782   2.667
  202   3HG2  THR  28          3HG2      THR  28  -3.836  10.220   2.030
  203    H    HIS  29           H        HIS  29  -2.159   9.134   6.496
  204    HA   HIS  29           HA       HIS  29  -4.826   8.042   7.002
  205   1HB   HIS  29          2HB       HIS  29  -2.159   6.603   6.979
  206   2HB   HIS  29          1HB       HIS  29  -3.737   5.868   7.179
  207    HD1  HIS  29           HD1      HIS  29  -1.679   7.720   4.556
  208    HD2  HIS  29           HD2      HIS  29  -5.041   5.226   4.825
  209    HE1  HIS  29           HE1      HIS  29  -2.320   7.123   2.159
  210    H    LYS  30           H        LYS  30  -3.398  10.225   8.526
  211    HA   LYS  30           HA       LYS  30  -2.280   9.236  10.859
  212   1HB   LYS  30          2HB       LYS  30  -2.597  11.434  11.741
  213   2HB   LYS  30          1HB       LYS  30  -2.197  11.590  10.042
  214   1HG   LYS  30          2HG       LYS  30  -4.022  13.027  10.139
  215   2HG   LYS  30          1HG       LYS  30  -4.848  11.539   9.723
  216   1HD   LYS  30          2HD       LYS  30  -6.127  11.903  11.572
  217   2HD   LYS  30          1HD       LYS  30  -4.737  11.373  12.499
  218   1HE   LYS  30          1HE       LYS  30  -4.346  13.470  13.305
  219   2HE   LYS  30          2HE       LYS  30  -4.466  14.191  11.712
  220   1HZ   LYS  30          1HZ       LYS  30  -6.978  13.310  12.687
  221   2HZ   LYS  30          2HZ       LYS  30  -6.291  14.409  13.681
  222   3HZ   LYS  30          3HZ       LYS  30  -6.546  14.775  12.110
  223    H    ASP  31           H        ASP  31  -5.541   9.083   9.671
  224    HA   ASP  31           HA       ASP  31  -6.662   8.850  12.292
  225   1HB   ASP  31          1HB       ASP  31  -8.180   9.808  10.768
  226   2HB   ASP  31          2HB       ASP  31  -7.680   8.763   9.453
  227    H    VAL  32           H        VAL  32  -4.752   6.905  10.364
  228    HA   VAL  32           HA       VAL  32  -6.162   4.448  11.145
  229    HB   VAL  32           HB       VAL  32  -4.083   4.809   8.982
  230   1HG1  VAL  32          1HG1      VAL  32  -4.738   2.511  10.188
  231   2HG1  VAL  32          2HG1      VAL  32  -6.062   2.575   9.000
  232   3HG1  VAL  32          3HG1      VAL  32  -4.370   2.607   8.449
  233   1HG2  VAL  32          1HG2      VAL  32  -7.111   4.783   8.751
  234   2HG2  VAL  32          2HG2      VAL  32  -6.020   6.140   8.380
  235   3HG2  VAL  32          3HG2      VAL  32  -5.980   4.667   7.381
  236    H    LYS  33           H        LYS  33  -5.207   3.134  12.632
  237    HA   LYS  33           HA       LYS  33  -3.102   3.999  14.160
  238   1HB   LYS  33          1HB       LYS  33  -3.961   1.126  13.710
  239   2HB   LYS  33          2HB       LYS  33  -3.078   1.748  15.090
  240   1HG   LYS  33          1HG       LYS  33  -5.454   3.367  14.705
  241   2HG   LYS  33          2HG       LYS  33  -5.921   1.678  14.701
  242   1HD   LYS  33          1HD       LYS  33  -4.426   1.450  16.833
  243   2HD   LYS  33          2HD       LYS  33  -4.447   3.201  16.883
  244   1HE   LYS  33          1HE       LYS  33  -7.142   2.614  16.511
  245   2HE   LYS  33          2HE       LYS  33  -6.617   1.271  17.507
  246   1HZ   LYS  33          1HZ       LYS  33  -5.840   3.987  18.227
  247   2HZ   LYS  33          2HZ       LYS  33  -7.330   3.440  18.612
  248   3HZ   LYS  33          3HZ       LYS  33  -6.006   2.678  19.189
  249    H    CYS  34           H        CYS  34  -0.881   3.150  14.396
  250    HA   CYS  34           HA       CYS  34   0.418   3.185  11.887
  251   1HB   CYS  34          1HB       CYS  34   1.660   2.441  14.534
  252   2HB   CYS  34          2HB       CYS  34   2.455   3.091  13.113
  253    H    ASP  35           H        ASP  35  -0.481   0.714  14.342
  254    HA   ASP  35           HA       ASP  35   0.996  -1.348  13.167
  255   1HB   ASP  35          1HB       ASP  35  -0.519  -2.827  14.557
  256   2HB   ASP  35          2HB       ASP  35   0.277  -1.559  15.466
  257    H    ASP  36           H        ASP  36  -1.697   0.408  12.086
  258    HA   ASP  36           HA       ASP  36  -3.347  -1.612  11.124
  259   1HB   ASP  36          1HB       ASP  36  -3.646   1.024  11.344
  260   2HB   ASP  36          2HB       ASP  36  -3.009   1.048   9.712
  261    H    CYS  37           H        CYS  37  -0.221  -0.401  10.170
  262    HA   CYS  37           HA       CYS  37  -0.448  -1.873   7.652
  263   1HB   CYS  37          1HB       CYS  37   0.900   0.813   8.064
  264   2HB   CYS  37          2HB       CYS  37   1.153  -0.197   6.655
  265    H    HIS  38           H        HIS  38   1.676  -0.424  10.211
  266    HA   HIS  38           HA       HIS  38   3.836  -2.164   9.531
  267   1HB   HIS  38          1HB       HIS  38   3.437  -0.305  11.892
  268   2HB   HIS  38          2HB       HIS  38   4.931  -1.131  11.495
  269    HD1  HIS  38           HD1      HIS  38   5.951  -0.479   9.006
  270    HD2  HIS  38           HD2      HIS  38   3.158   2.151  10.702
  271    HE1  HIS  38           HE1      HIS  38   6.212   1.736   7.767
  272    H    HIS  39           H        HIS  39   2.761  -4.254   9.686
  273    HA   HIS  39           HA       HIS  39   1.963  -4.993  12.384
  274   1HB   HIS  39          2HB       HIS  39   0.773  -6.756  11.449
  275   2HB   HIS  39          1HB       HIS  39   0.558  -5.456  10.293
  276    HD1  HIS  39           HD1      HIS  39   1.426  -8.949  10.451
  277    HD2  HIS  39           HD2      HIS  39   2.576  -5.716   8.038
  278    HE1  HIS  39           HE1      HIS  39   2.441  -9.959   8.339
  279    H    GLN  40           H        GLN  40   4.661  -4.430  12.256
  280    HA   GLN  40           HA       GLN  40   5.879  -7.062  11.997
  281   1HB   GLN  40          1HB       GLN  40   6.929  -4.247  11.726
  282   2HB   GLN  40          2HB       GLN  40   8.040  -5.506  12.226
  283   1HG   GLN  40          1HG       GLN  40   7.772  -5.026   9.666
  284   2HG   GLN  40          2HG       GLN  40   7.833  -6.695  10.200
  285   2HE2  GLN  40          2HE2      GLN  40   5.983  -7.955  10.240
  286   1HE2  GLN  40          1HE2      GLN  40   4.535  -7.541   9.384
  287    HA   PRO  41           HA       PRO  41   6.239  -7.059  16.410
  288   1HB   PRO  41          1HB       PRO  41   7.368  -9.461  16.747
  289   2HB   PRO  41          2HB       PRO  41   5.771  -9.342  15.939
  290   1HG   PRO  41          2HG       PRO  41   8.514  -9.402  14.610
  291   2HG   PRO  41          1HG       PRO  41   7.177 -10.509  14.157
  292   1HD   PRO  41          1HD       PRO  41   7.685  -8.203  12.771
  293   2HD   PRO  41          2HD       PRO  41   6.008  -8.757  13.057
  294    H    GLY  42           H        GLY  42   7.881  -6.644  18.027
  295   1HA   GLY  42          2HA       GLY  42  10.650  -6.574  17.028
  296   2HA   GLY  42          1HA       GLY  42  10.141  -6.626  18.705
  297    H    ASP  43           H        ASP  43  11.724  -4.737  18.824
  298    HA   ASP  43           HA       ASP  43  10.323  -2.405  19.136
  299   1HB   ASP  43          1HB       ASP  43  13.181  -3.247  19.122
  300   2HB   ASP  43          2HB       ASP  43  12.935  -1.544  18.791
  301    H    LYS  44           H        LYS  44  11.580  -3.938  16.285
  302    HA   LYS  44           HA       LYS  44  11.825  -1.443  14.814
  303   1HB   LYS  44          1HB       LYS  44  12.664  -2.871  13.002
  304   2HB   LYS  44          2HB       LYS  44  13.567  -3.096  14.486
  305   1HG   LYS  44          1HG       LYS  44  12.392  -5.175  14.982
  306   2HG   LYS  44          2HG       LYS  44  11.243  -4.904  13.687
  307   1HD   LYS  44          1HD       LYS  44  12.658  -6.283  12.510
  308   2HD   LYS  44          2HD       LYS  44  13.542  -4.796  12.234
  309   1HE   LYS  44          1HE       LYS  44  14.123  -6.408  14.732
  310   2HE   LYS  44          2HE       LYS  44  14.787  -6.943  13.200
  311   1HZ   LYS  44          1HZ       LYS  44  15.093  -4.143  13.826
  312   2HZ   LYS  44          2HZ       LYS  44  15.982  -5.186  14.714
  313   3HZ   LYS  44          3HZ       LYS  44  16.131  -5.165  13.088
  314    H    GLN  45           H        GLN  45   9.237  -2.038  15.931
  315    HA   GLN  45           HA       GLN  45   7.487  -3.388  14.462
  316   1HB   GLN  45          1HB       GLN  45   7.043  -1.938  16.503
  317   2HB   GLN  45          2HB       GLN  45   6.984  -0.545  15.441
  318   1HG   GLN  45          1HG       GLN  45   4.838  -1.007  14.877
  319   2HG   GLN  45          2HG       GLN  45   5.292  -2.604  14.316
  320   2HE2  GLN  45          2HE2      GLN  45   2.889  -2.366  15.381
  321   1HE2  GLN  45          1HE2      GLN  45   2.778  -3.069  16.961
  322    H    TYR  46           H        TYR  46   9.220  -0.504  13.541
  323    HA   TYR  46           HA       TYR  46   7.657  -0.306  11.017
  324   1HB   TYR  46          2HB       TYR  46   9.675   1.673  12.096
  325   2HB   TYR  46          1HB       TYR  46   8.439   1.933  10.854
  326    HD1  TYR  46           HD1      TYR  46   6.064   2.178  11.473
  327    HD2  TYR  46           HD2      TYR  46   9.139   1.781  14.446
  328    HE1  TYR  46           HE1      TYR  46   4.494   3.002  13.207
  329    HE2  TYR  46           HE2      TYR  46   7.569   2.605  16.180
  330    HH   TYR  46           HH       TYR  46   4.893   2.662  16.446
  331    H    ALA  47           H        ALA  47   8.625  -1.941   9.715
  332    HA   ALA  47           HA       ALA  47  11.450  -1.404   9.130
  333   1HB   ALA  47          1HB       ALA  47  10.086  -4.047   9.723
  334   2HB   ALA  47          3HB       ALA  47  11.542  -3.357  10.478
  335   3HB   ALA  47          2HB       ALA  47  11.606  -3.954   8.803
  336    H    GLY  48           H        GLY  48  11.894  -2.984   6.993
  337   1HA   GLY  48          2HA       GLY  48  11.616  -2.898   4.749
  338   2HA   GLY  48          1HA       GLY  48  10.304  -1.755   4.957
  339    H    CYS  49           H        CYS  49   8.840  -2.730   3.503
  340    HA   CYS  49           HA       CYS  49   7.463  -4.990   4.594
  341   1HB   CYS  49          1HB       CYS  49   6.891  -3.631   1.964
  342   2HB   CYS  49          2HB       CYS  49   5.801  -4.582   2.953
  343    H    THR  50           H        THR  50   9.757  -4.192   1.980
  344    HA   THR  50           HA       THR  50   9.476  -6.839   0.801
  345    HB   THR  50           HB       THR  50  11.262  -5.773  -0.764
  346    HG1  THR  50           HG1      THR  50  12.029  -4.012   0.393
  347   1HG2  THR  50          1HG2      THR  50   8.418  -4.928  -0.395
  348   2HG2  THR  50          2HG2      THR  50   9.429  -3.782  -1.307
  349   3HG2  THR  50          3HG2      THR  50   9.255  -5.460  -1.873
  350    H    THR  51           H        THR  51  10.538  -6.264   3.637
  351    HA   THR  51           HA       THR  51  13.311  -6.845   3.549
  352    HB   THR  51           HB       THR  51  11.315  -7.333   5.815
  353    HG1  THR  51           HG1      THR  51  12.796  -4.947   4.960
  354   1HG2  THR  51          1HG2      THR  51  14.239  -7.284   5.577
  355   2HG2  THR  51          2HG2      THR  51  13.672  -5.989   6.658
  356   3HG2  THR  51          3HG2      THR  51  13.243  -7.683   6.997
  357    H    ASP  52           H        ASP  52  14.385  -8.809   4.279
  358    HA   ASP  52           HA       ASP  52  13.608 -10.967   2.806
  359   1HB   ASP  52          1HB       ASP  52  15.349 -12.184   3.961
  360   2HB   ASP  52          2HB       ASP  52  15.888 -10.524   3.812
  361    H    GLY  53           H        GLY  53  12.793 -13.136   3.545
  362   1HA   GLY  53          2HA       GLY  53  11.877 -13.716   6.101
  363   2HA   GLY  53          1HA       GLY  53  11.320 -14.453   4.612
  364    H    CYS  54           H        CYS  54  10.602 -11.505   3.703
  365    HA   CYS  54           HA       CYS  54   8.018 -11.528   5.074
  366   1HB   CYS  54          1HB       CYS  54   9.463  -8.980   4.297
  367   2HB   CYS  54          2HB       CYS  54   7.973  -9.131   5.207
  368    H    HIS  55           H        HIS  55   7.895  -8.898   3.144
  369    HA   HIS  55           HA       HIS  55   6.851 -10.456   0.928
  370   1HB   HIS  55          2HB       HIS  55   6.592  -7.477   1.358
  371   2HB   HIS  55          1HB       HIS  55   5.619  -8.507   0.328
  372    HD1  HIS  55           HD1      HIS  55   4.039 -10.305   1.646
  373    HD2  HIS  55           HD2      HIS  55   5.630  -7.161   3.922
  374    HE1  HIS  55           HE1      HIS  55   2.650 -10.196   3.784
  375    H    ASN  56           H        ASN  56   9.577 -10.678   0.985
  376    HA   ASN  56           HA       ASN  56  10.703  -8.570  -0.579
  377   1HB   ASN  56          1HB       ASN  56  12.013  -9.846   1.173
  378   2HB   ASN  56          2HB       ASN  56  11.856 -11.299   0.206
  379   2HD2  ASN  56          2HD2      ASN  56  14.241  -9.901   1.048
  380   1HD2  ASN  56          1HD2      ASN  56  15.127  -9.455  -0.373
  381    H    ILE  57           H        ILE  57   8.832  -9.139  -2.263
  382    HA   ILE  57           HA       ILE  57   9.970 -11.065  -4.155
  383    HB   ILE  57           HB       ILE  57   7.029 -10.776  -3.535
  384   1HG1  ILE  57          1HG1      ILE  57   8.604 -11.906  -1.784
  385   2HG1  ILE  57          2HG1      ILE  57   7.089 -12.667  -2.229
  386   1HG2  ILE  57          1HG2      ILE  57   8.570 -12.535  -5.452
  387   2HG2  ILE  57          2HG2      ILE  57   6.893 -12.860  -4.953
  388   3HG2  ILE  57          3HG2      ILE  57   7.288 -11.357  -5.820
  389   1HD1  ILE  57          1HD1      ILE  57   9.504 -13.360  -3.882
  390   2HD1  ILE  57          2HD1      ILE  57   9.409 -14.025  -2.233
  391   3HD1  ILE  57          3HD1      ILE  57   8.122 -14.378  -3.411
  392    H    LEU  58           H        LEU  58  10.717  -9.827  -5.794
  393    HA   LEU  58           HA       LEU  58   9.157  -7.450  -6.484
  394   1HB   LEU  58          2HB       LEU  58  11.986  -8.207  -7.227
  395   2HB   LEU  58          1HB       LEU  58  11.175  -6.709  -7.639
  396    HG   LEU  58           HG       LEU  58  11.995  -7.654  -4.884
  397   1HD1  LEU  58          1HD1      LEU  58  13.318  -6.138  -6.885
  398   2HD1  LEU  58          2HD1      LEU  58  12.895  -5.025  -5.562
  399   3HD1  LEU  58          3HD1      LEU  58  13.849  -6.489  -5.222
  400   1HD2  LEU  58          1HD2      LEU  58  10.172  -5.399  -5.698
  401   2HD2  LEU  58          2HD2      LEU  58   9.951  -6.629  -4.431
  402   3HD2  LEU  58          3HD2      LEU  58  11.136  -5.321  -4.204
  403    H    ASP  59           H        ASP  59   8.880 -10.552  -7.159
  404    HA   ASP  59           HA       ASP  59   8.925 -10.237 -10.041
  405   1HB   ASP  59          1HB       ASP  59   8.332 -12.772  -9.903
  406   2HB   ASP  59          2HB       ASP  59   9.956 -12.282  -9.465
  407    H    LYS  60           H        LYS  60   6.964  -8.712  -9.701
  408    HA   LYS  60           HA       LYS  60   4.614  -9.292  -8.557
  409   1HB   LYS  60          1HB       LYS  60   4.774  -7.201  -9.548
  410   2HB   LYS  60          2HB       LYS  60   5.338  -7.837 -11.080
  411   1HG   LYS  60          1HG       LYS  60   3.039  -8.918 -11.381
  412   2HG   LYS  60          2HG       LYS  60   2.511  -8.057  -9.949
  413   1HD   LYS  60          2HD       LYS  60   1.909  -6.444 -11.474
  414   2HD   LYS  60          1HD       LYS  60   3.588  -5.966 -11.319
  415   1HE   LYS  60          1HE       LYS  60   3.943  -7.813 -13.238
  416   2HE   LYS  60          2HE       LYS  60   2.248  -7.497 -13.551
  417   1HZ   LYS  60          1HZ       LYS  60   3.878  -5.161 -13.195
  418   2HZ   LYS  60          2HZ       LYS  60   4.215  -6.039 -14.530
  419   3HZ   LYS  60          3HZ       LYS  60   2.707  -5.458 -14.293
  420    H    ALA  61           H        ALA  61   2.524 -10.144  -9.403
  421    HA   ALA  61           HA       ALA  61   1.292 -11.774 -10.250
  422   1HB   ALA  61          1HB       ALA  61   3.267 -12.275 -12.468
  423   2HB   ALA  61          3HB       ALA  61   1.489 -12.234 -12.521
  424   3HB   ALA  61          2HB       ALA  61   2.410 -10.716 -12.400
  425    H    ASP  62           H        ASP  62   2.982 -12.429  -8.132
  426    HA   ASP  62           HA       ASP  62   4.145 -14.964  -8.927
  427   1HB   ASP  62          1HB       ASP  62   5.402 -13.212  -7.505
  428   2HB   ASP  62          2HB       ASP  62   4.289 -13.592  -6.207
  429    H    LYS  63           H        LYS  63   3.897 -16.637  -6.856
  430    HA   LYS  63           HA       LYS  63   1.089 -16.518  -6.005
  431   1HB   LYS  63          1HB       LYS  63   2.598 -18.773  -7.310
  432   2HB   LYS  63          2HB       LYS  63   1.279 -19.116  -6.208
  433   1HG   LYS  63          1HG       LYS  63  -0.002 -18.913  -8.106
  434   2HG   LYS  63          2HG       LYS  63   0.071 -17.204  -7.725
  435   1HD   LYS  63          1HD       LYS  63   1.574 -16.735  -9.434
  436   2HD   LYS  63          2HD       LYS  63   2.363 -18.295  -9.322
  437   1HE   LYS  63          1HE       LYS  63  -0.502 -18.168 -10.295
  438   2HE   LYS  63          2HE       LYS  63   0.789 -17.727 -11.394
  439   1HZ   LYS  63          1HZ       LYS  63   1.505 -20.074 -10.091
  440   2HZ   LYS  63          2HZ       LYS  63  -0.014 -20.265 -10.662
  441   3HZ   LYS  63          3HZ       LYS  63   1.196 -19.854 -11.680
  442    H    SER  64           H        SER  64   1.798 -15.571  -4.004
  443    HA   SER  64           HA       SER  64   2.320 -17.470  -2.060
  444   1HB   SER  64          1HB       SER  64   4.684 -16.686  -3.354
  445   2HB   SER  64          2HB       SER  64   4.663 -15.690  -1.912
  446    HG   SER  64           HG       SER  64   3.951 -18.103  -1.052
  447    H    VAL  65           H        VAL  65   2.659 -16.341   0.161
  448    HA   VAL  65           HA       VAL  65   1.072 -13.911   0.116
  449    HB   VAL  65           HB       VAL  65   0.350 -15.667   1.571
  450   1HG1  VAL  65          1HG1      VAL  65   3.222 -15.878   2.194
  451   2HG1  VAL  65          2HG1      VAL  65   2.157 -15.983   3.616
  452   3HG1  VAL  65          3HG1      VAL  65   1.938 -17.109   2.255
  453   1HG2  VAL  65          1HG2      VAL  65   0.881 -13.050   2.407
  454   2HG2  VAL  65          2HG2      VAL  65  -0.249 -14.206   3.153
  455   3HG2  VAL  65          3HG2      VAL  65   1.420 -14.075   3.759
  456    H    ASN  66           H        ASN  66   3.961 -14.049  -0.814
  457    HA   ASN  66           HA       ASN  66   5.004 -12.169   1.157
  458   1HB   ASN  66          1HB       ASN  66   6.580 -13.936  -0.789
  459   2HB   ASN  66          2HB       ASN  66   7.285 -12.844   0.386
  460   2HD2  ASN  66          2HD2      ASN  66   6.389 -13.159   2.681
  461   1HD2  ASN  66          1HD2      ASN  66   6.323 -14.787   3.269
  462    H    SER  67           H        SER  67   3.336 -12.201  -1.603
  463    HA   SER  67           HA       SER  67   5.056 -10.811  -3.367
  464   1HB   SER  67          1HB       SER  67   2.641 -10.314  -4.430
  465   2HB   SER  67          2HB       SER  67   3.419 -11.875  -4.591
  466    HG   SER  67           HG       SER  67   1.167 -11.995  -3.863
  467    H    TRP  68           H        TRP  68   5.274  -8.578  -3.676
  468    HA   TRP  68           HA       TRP  68   4.030  -6.927  -1.625
  469   1HB   TRP  68          1HB       TRP  68   6.334  -6.600  -1.696
  470   2HB   TRP  68          2HB       TRP  68   6.394  -6.623  -3.448
  471    HD1  TRP  68           HD1      TRP  68   6.562  -4.251  -4.535
  472    HE1  TRP  68           HE1      TRP  68   6.118  -1.737  -3.869
  473    HE3  TRP  68           HE3      TRP  68   4.561  -5.264   0.029
  474    HZ2  TRP  68           HZ2      TRP  68   5.005  -0.481  -1.560
  475    HZ3  TRP  68           HZ3      TRP  68   3.821  -3.336   1.426
  476    HH2  TRP  68           HH2      TRP  68   4.017  -1.011   0.698
  477    H    TYR  69           H        TYR  69   2.908  -8.189  -4.252
  478    HA   TYR  69           HA       TYR  69   1.796  -5.655  -5.367
  479   1HB   TYR  69          1HB       TYR  69   3.157  -6.738  -7.025
  480   2HB   TYR  69          2HB       TYR  69   2.426  -8.314  -6.680
  481    HD1  TYR  69           HD1      TYR  69  -0.121  -8.551  -7.117
  482    HD2  TYR  69           HD2      TYR  69   2.300  -5.392  -8.732
  483    HE1  TYR  69           HE1      TYR  69  -1.821  -8.149  -8.878
  484    HE2  TYR  69           HE2      TYR  69   0.601  -4.990 -10.493
  485    HH   TYR  69           HH       TYR  69  -1.846  -7.105 -11.289
  486    H    LYS  70           H        LYS  70   1.153  -8.531  -3.559
  487    HA   LYS  70           HA       LYS  70  -1.635  -8.537  -4.429
  488   1HB   LYS  70          1HB       LYS  70  -0.246 -10.665  -4.288
  489   2HB   LYS  70          2HB       LYS  70  -0.270 -10.474  -2.546
  490   1HG   LYS  70          1HG       LYS  70  -2.934 -10.153  -3.062
  491   2HG   LYS  70          2HG       LYS  70  -2.507 -11.185  -4.413
  492   1HD   LYS  70          1HD       LYS  70  -1.738 -11.844  -1.535
  493   2HD   LYS  70          2HD       LYS  70  -3.239 -12.386  -2.258
  494   1HE   LYS  70          2HE       LYS  70  -0.414 -13.054  -3.205
  495   2HE   LYS  70          1HE       LYS  70  -1.564 -14.161  -2.483
  496   1HZ   LYS  70          1HZ       LYS  70  -2.901 -13.090  -4.574
  497   2HZ   LYS  70          2HZ       LYS  70  -1.389 -13.277  -5.163
  498   3HZ   LYS  70          3HZ       LYS  70  -2.189 -14.560  -4.547
  499    H    VAL  71           H        VAL  71   0.476  -8.119  -1.531
  500    HA   VAL  71           HA       VAL  71  -1.646  -7.645   0.247
  501    HB   VAL  71           HB       VAL  71   0.128  -6.727   1.690
  502   1HG1  VAL  71          1HG1      VAL  71  -0.018  -9.372   0.561
  503   2HG1  VAL  71          2HG1      VAL  71   1.674  -8.986   0.959
  504   3HG1  VAL  71          3HG1      VAL  71   0.416  -8.875   2.214
  505   1HG2  VAL  71          1HG2      VAL  71   1.375  -5.813  -0.466
  506   2HG2  VAL  71          2HG2      VAL  71   2.270  -6.246   1.011
  507   3HG2  VAL  71          3HG2      VAL  71   2.212  -7.380  -0.360
  508    H    VAL  72           H        VAL  72  -0.586  -5.885  -2.452
  509    HA   VAL  72           HA       VAL  72  -1.421  -3.343  -1.258
  510    HB   VAL  72           HB       VAL  72   0.129  -4.019  -3.763
  511   1HG1  VAL  72          1HG1      VAL  72  -1.541  -1.852  -3.495
  512   2HG1  VAL  72          2HG1      VAL  72   0.014  -1.197  -2.930
  513   3HG1  VAL  72          3HG1      VAL  72  -0.109  -1.924  -4.550
  514   1HG2  VAL  72          1HG2      VAL  72   0.921  -2.669  -1.161
  515   2HG2  VAL  72          2HG2      VAL  72   1.463  -4.255  -1.758
  516   3HG2  VAL  72          3HG2      VAL  72   1.952  -2.770  -2.609
  517    H    HIS  73           H        HIS  73  -1.941  -5.574  -4.056
  518    HA   HIS  73           HA       HIS  73  -4.408  -4.107  -4.602
  519   1HB   HIS  73          2HB       HIS  73  -2.973  -6.123  -6.350
  520   2HB   HIS  73          1HB       HIS  73  -4.354  -5.142  -6.799
  521    HD1  HIS  73           HD1      HIS  73  -0.633  -4.939  -6.206
  522    HD2  HIS  73           HD2      HIS  73  -3.774  -2.464  -7.473
  523    HE1  HIS  73           HE1      HIS  73   0.454  -2.838  -7.162
  524    H    ASP  74           H        ASP  74  -4.093  -5.885  -2.285
  525    HA   ASP  74           HA       ASP  74  -5.372  -8.319  -3.048
  526   1HB   ASP  74          1HB       ASP  74  -4.033  -7.204  -0.693
  527   2HB   ASP  74          2HB       ASP  74  -5.541  -7.968  -0.230
  528    H    ALA  75           H        ALA  75  -7.570  -8.163  -3.571
  529    HA   ALA  75           HA       ALA  75  -9.187  -6.087  -2.442
  530   1HB   ALA  75          1HB       ALA  75  -9.941  -8.483  -4.163
  531   2HB   ALA  75          3HB       ALA  75  -9.382  -6.914  -4.792
  532   3HB   ALA  75          2HB       ALA  75 -10.914  -7.018  -3.892
  533    H    LYS  76           H        LYS  76  -8.290  -9.376  -1.647
  534    HA   LYS  76           HA       LYS  76 -10.428  -9.398   0.369
  535   1HB   LYS  76          1HB       LYS  76 -10.484 -11.128  -1.569
  536   2HB   LYS  76          2HB       LYS  76  -9.148 -11.893  -0.734
  537   1HG   LYS  76          1HG       LYS  76 -10.669 -11.733   1.403
  538   2HG   LYS  76          2HG       LYS  76 -11.978 -11.440   0.275
  539   1HD   LYS  76          1HD       LYS  76 -11.557 -13.576  -0.863
  540   2HD   LYS  76          2HD       LYS  76 -10.109 -13.847   0.086
  541   1HE   LYS  76          1HE       LYS  76 -11.675 -15.147   1.256
  542   2HE   LYS  76          2HE       LYS  76 -11.725 -13.651   2.167
  543   1HZ   LYS  76          1HZ       LYS  76 -13.560 -13.062   0.487
  544   2HZ   LYS  76          2HZ       LYS  76 -13.662 -14.675   0.255
  545   3HZ   LYS  76          3HZ       LYS  76 -13.912 -14.047   1.741
  546    H    GLY  77           H        GLY  77  -9.851  -9.886   2.502
  547   1HA   GLY  77          2HA       GLY  77  -7.314  -9.138   3.353
  548   2HA   GLY  77          1HA       GLY  77  -7.304 -10.886   3.231
  549    H    GLY  78           H        GLY  78  -7.402 -11.571   5.354
  550   1HA   GLY  78          2HA       GLY  78  -8.924 -12.265   7.039
  551   2HA   GLY  78          1HA       GLY  78  -9.803 -10.760   6.862
  552    H    ALA  79           H        ALA  79  -6.448 -11.940   7.628
  553    HA   ALA  79           HA       ALA  79  -6.208 -11.021  10.128
  554   1HB   ALA  79          1HB       ALA  79  -3.711 -10.492   9.212
  555   2HB   ALA  79          3HB       ALA  79  -4.327 -12.142   9.469
  556   3HB   ALA  79          2HB       ALA  79  -4.344 -11.430   7.838
  557    H    LYS  80           H        LYS  80  -5.743  -9.078   7.111
  558    HA   LYS  80           HA       LYS  80  -6.589  -6.729   8.483
  559   1HB   LYS  80          1HB       LYS  80  -4.327  -5.561   7.788
  560   2HB   LYS  80          2HB       LYS  80  -4.512  -6.339   9.347
  561   1HG   LYS  80          1HG       LYS  80  -3.499  -8.440   8.396
  562   2HG   LYS  80          2HG       LYS  80  -3.273  -7.620   6.864
  563   1HD   LYS  80          2HD       LYS  80  -1.990  -6.879   9.533
  564   2HD   LYS  80          1HD       LYS  80  -1.176  -7.540   8.129
  565   1HE   LYS  80          1HE       LYS  80  -1.930  -5.461   6.830
  566   2HE   LYS  80          2HE       LYS  80  -2.497  -4.796   8.349
  567   1HZ   LYS  80          1HZ       LYS  80   0.178  -5.808   8.431
  568   2HZ   LYS  80          2HZ       LYS  80  -0.022  -4.534   7.429
  569   3HZ   LYS  80          3HZ       LYS  80  -0.423  -4.404   9.007
  570    HA   PRO  81           HA       PRO  81  -7.628  -5.705   4.354
  571   1HB   PRO  81          1HB       PRO  81  -7.898  -2.989   4.538
  572   2HB   PRO  81          2HB       PRO  81  -8.976  -4.121   5.418
  573   1HG   PRO  81          2HG       PRO  81  -6.737  -2.692   6.199
  574   2HG   PRO  81          1HG       PRO  81  -8.137  -2.817   7.313
  575   1HD   PRO  81          1HD       PRO  81  -5.844  -4.266   7.694
  576   2HD   PRO  81          2HD       PRO  81  -7.451  -4.971   8.045
  577    H    THR  82           H        THR  82  -6.966  -3.842   2.571
  578    HA   THR  82           HA       THR  82  -4.049  -3.508   2.745
  579    HB   THR  82           HB       THR  82  -3.993  -4.194   0.308
  580    HG1  THR  82           HG1      THR  82  -6.705  -5.069   0.987
  581   1HG2  THR  82          1HG2      THR  82  -4.441  -5.940   2.567
  582   2HG2  THR  82          2HG2      THR  82  -5.362  -6.581   1.185
  583   3HG2  THR  82          3HG2      THR  82  -3.607  -6.321   1.041
  584    H    CYS  83           H        CYS  83  -3.740  -2.262   0.224
  585    HA   CYS  83           HA       CYS  83  -4.683   0.327   0.956
  586   1HB   CYS  83          1HB       CYS  83  -3.310  -0.337  -1.635
  587   2HB   CYS  83          2HB       CYS  83  -3.291   1.164  -0.731
  588    H    ILE  84           H        ILE  84  -6.096  -2.331  -0.532
  589    HA   ILE  84           HA       ILE  84  -7.715  -0.639  -2.304
  590    HB   ILE  84           HB       ILE  84  -6.758  -3.457  -2.465
  591   1HG1  ILE  84          1HG1      ILE  84  -5.621  -1.679  -3.714
  592   2HG1  ILE  84          2HG1      ILE  84  -6.348  -2.863  -4.781
  593   1HG2  ILE  84          1HG2      ILE  84  -9.438  -2.477  -3.423
  594   2HG2  ILE  84          2HG2      ILE  84  -8.559  -3.758  -4.293
  595   3HG2  ILE  84          3HG2      ILE  84  -9.018  -3.993  -2.589
  596   1HD1  ILE  84          1HD1      ILE  84  -8.423  -1.227  -4.779
  597   2HD1  ILE  84          2HD1      ILE  84  -7.237  -0.027  -4.212
  598   3HD1  ILE  84          3HD1      ILE  84  -7.002  -0.838  -5.779
  599    H    SER  85           H        SER  85  -7.753  -3.247   0.189
  600    HA   SER  85           HA       SER  85 -10.445  -3.601   0.329
  601   1HB   SER  85          2HB       SER  85  -8.859  -3.538   2.889
  602   2HB   SER  85          1HB       SER  85 -10.036  -4.717   2.345
  603    HG   SER  85           HG       SER  85  -8.396  -5.891   1.653
  604    H    CYS  86           H        CYS  86  -8.427  -1.406   2.429
  605    HA   CYS  86           HA       CYS  86 -10.594  -0.201   3.671
  606   1HB   CYS  86          1HB       CYS  86  -8.083  -0.160   4.295
  607   2HB   CYS  86          2HB       CYS  86  -7.958   1.199   3.195
  608    H    HIS  87           H        HIS  87  -8.462   1.005   0.968
  609    HA   HIS  87           HA       HIS  87  -9.776   3.297   0.394
  610   1HB   HIS  87          1HB       HIS  87  -8.246   1.329  -1.279
  611   2HB   HIS  87          2HB       HIS  87  -9.030   2.688  -2.060
  612    HD1  HIS  87           HD1      HIS  87  -6.870   3.930  -2.676
  613    HD2  HIS  87           HD2      HIS  87  -7.226   3.130   1.426
  614    HE1  HIS  87           HE1      HIS  87  -5.021   5.260  -1.525
  615    H    LYS  88           H        LYS  88 -10.690  -0.059  -0.471
  616    HA   LYS  88           HA       LYS  88 -12.696   0.591  -2.295
  617   1HB   LYS  88          1HB       LYS  88 -11.917  -1.783  -0.676
  618   2HB   LYS  88          2HB       LYS  88 -13.559  -1.756  -1.287
  619   1HG   LYS  88          1HG       LYS  88 -12.705  -1.343  -3.596
  620   2HG   LYS  88          2HG       LYS  88 -11.059  -1.334  -2.994
  621   1HD   LYS  88          1HD       LYS  88 -11.134  -3.559  -3.578
  622   2HD   LYS  88          2HD       LYS  88 -11.845  -3.732  -1.986
  623   1HE   LYS  88          1HE       LYS  88 -13.990  -4.082  -2.819
  624   2HE   LYS  88          2HE       LYS  88 -13.739  -3.051  -4.214
  625   1HZ   LYS  88          1HZ       LYS  88 -12.419  -5.654  -3.902
  626   2HZ   LYS  88          2HZ       LYS  88 -13.837  -5.458  -4.687
  627   3HZ   LYS  88          3HZ       LYS  88 -12.486  -4.734  -5.250
  628    H    ASP  89           H        ASP  89 -12.778   0.083   1.288
  629    HA   ASP  89           HA       ASP  89 -15.472   0.333   1.602
  630   1HB   ASP  89          1HB       ASP  89 -13.439  -0.098   3.287
  631   2HB   ASP  89          2HB       ASP  89 -13.582   1.624   3.580
  632    H    LYS  90           H        LYS  90 -12.859   2.812   1.359
  633    HA   LYS  90           HA       LYS  90 -14.412   5.030   2.050
  634   1HB   LYS  90          1HB       LYS  90 -11.779   4.527   0.768
  635   2HB   LYS  90          2HB       LYS  90 -12.507   6.087   0.445
  636   1HG   LYS  90          1HG       LYS  90 -12.016   4.888   3.212
  637   2HG   LYS  90          2HG       LYS  90 -11.081   6.174   2.475
  638   1HD   LYS  90          1HD       LYS  90 -13.566   7.271   2.250
  639   2HD   LYS  90          2HD       LYS  90 -13.840   6.263   3.657
  640   1HE   LYS  90          1HE       LYS  90 -11.856   7.295   4.784
  641   2HE   LYS  90          2HE       LYS  90 -11.579   8.302   3.377
  642   1HZ   LYS  90          1HZ       LYS  90 -14.250   8.462   4.323
  643   2HZ   LYS  90          2HZ       LYS  90 -13.167   8.920   5.456
  644   3HZ   LYS  90          3HZ       LYS  90 -13.190   9.661   4.001
  645    H    ALA  91           H        ALA  91 -13.831   3.324  -1.060
  646    HA   ALA  91           HA       ALA  91 -15.597   5.229  -2.389
  647   1HB   ALA  91          1HB       ALA  91 -14.436   2.953  -3.895
  648   2HB   ALA  91          3HB       ALA  91 -14.470   4.688  -4.289
  649   3HB   ALA  91          2HB       ALA  91 -13.246   4.056  -3.162
  650    H    GLY  92           H        GLY  92 -16.414   3.163  -0.277
  651   1HA   GLY  92          2HA       GLY  92 -17.855   1.397  -0.052
  652   2HA   GLY  92          1HA       GLY  92 -17.943   1.220  -1.793
  653    H    ASP  93           H        ASP  93 -18.920   3.408  -2.898
  654    HA   ASP  93           HA       ASP  93 -21.539   3.411  -2.439
  655   1HB   ASP  93          1HB       ASP  93 -21.817   5.707  -1.234
  656   2HB   ASP  93          2HB       ASP  93 -21.492   4.293  -0.250
  657    H    ASP  94           H        ASP  94 -18.964   6.000  -2.528
  658    HA   ASP  94           HA       ASP  94 -20.300   7.351  -4.630
  659   1HB   ASP  94          1HB       ASP  94 -18.952   8.578  -2.971
  660   2HB   ASP  94          2HB       ASP  94 -17.522   7.660  -3.401
  661    H    LYS  95           H        LYS  95 -20.006   6.951  -6.837
  662    HA   LYS  95           HA       LYS  95 -18.254   4.850  -7.627
  663   1HB   LYS  95          1HB       LYS  95 -20.105   6.714  -9.129
  664   2HB   LYS  95          2HB       LYS  95 -19.116   5.512  -9.934
  665   1HG   LYS  95          1HG       LYS  95 -20.221   3.690  -8.839
  666   2HG   LYS  95          2HG       LYS  95 -20.911   4.731  -7.609
  667   1HD   LYS  95          1HD       LYS  95 -22.528   5.643  -9.097
  668   2HD   LYS  95          2HD       LYS  95 -21.626   5.171 -10.524
  669   1HE   LYS  95          1HE       LYS  95 -22.754   3.092  -8.606
  670   2HE   LYS  95          2HE       LYS  95 -23.729   3.763  -9.898
  671   1HZ   LYS  95          1HZ       LYS  95 -21.098   2.798 -10.606
  672   2HZ   LYS  95          2HZ       LYS  95 -22.226   1.674 -10.243
  673   3HZ   LYS  95          3HZ       LYS  95 -22.492   2.736 -11.455
  674    H    GLU  96           H        GLU  96 -18.278   8.439  -7.824
  675    HA   GLU  96           HA       GLU  96 -16.063   8.601  -9.505
  676   1HB   GLU  96          1HB       GLU  96 -17.642  10.468  -9.154
  677   2HB   GLU  96          2HB       GLU  96 -17.161  10.594  -7.473
  678   1HG   GLU  96          1HG       GLU  96 -14.727  10.913  -8.428
  679   2HG   GLU  96          2HG       GLU  96 -15.529  11.248  -9.950
  680    H    LEU  97           H        LEU  97 -16.440   7.996  -6.052
  681    HA   LEU  97           HA       LEU  97 -13.773   8.756  -5.370
  682   1HB   LEU  97          1HB       LEU  97 -15.900   8.681  -3.910
  683   2HB   LEU  97          2HB       LEU  97 -15.573   6.966  -3.763
  684    HG   LEU  97           HG       LEU  97 -14.674   8.031  -1.841
  685   1HD1  LEU  97          1HD1      LEU  97 -13.272   6.285  -3.148
  686   2HD1  LEU  97          2HD1      LEU  97 -12.198   7.659  -3.505
  687   3HD1  LEU  97          3HD1      LEU  97 -12.513   7.191  -1.817
  688   1HD2  LEU  97          1HD2      LEU  97 -13.756  10.084  -3.780
  689   2HD2  LEU  97          2HD2      LEU  97 -14.388  10.258  -2.125
  690   3HD2  LEU  97          3HD2      LEU  97 -12.697   9.765  -2.386
  691    H    LYS  98           H        LYS  98 -15.315   6.010  -6.859
  692    HA   LYS  98           HA       LYS  98 -13.202   4.196  -6.081
  693   1HB   LYS  98          1HB       LYS  98 -15.655   3.567  -6.306
  694   2HB   LYS  98          2HB       LYS  98 -15.459   3.719  -8.040
  695   1HG   LYS  98          1HG       LYS  98 -13.413   2.106  -7.751
  696   2HG   LYS  98          2HG       LYS  98 -14.076   1.765  -6.165
  697   1HD   LYS  98          1HD       LYS  98 -15.613   1.461  -8.789
  698   2HD   LYS  98          2HD       LYS  98 -14.849   0.141  -7.925
  699   1HE   LYS  98          1HE       LYS  98 -16.376   0.261  -6.113
  700   2HE   LYS  98          2HE       LYS  98 -16.823   1.918  -6.465
  701   1HZ   LYS  98          1HZ       LYS  98 -17.600   0.773  -8.683
  702   2HZ   LYS  98          2HZ       LYS  98 -17.760  -0.516  -7.693
  703   3HZ   LYS  98          3HZ       LYS  98 -18.567   0.866  -7.370
  704    H    LYS  99           H        LYS  99 -12.709   6.763  -7.652
  705    HA   LYS  99           HA       LYS  99 -11.178   5.453  -9.759
  706   1HB   LYS  99          1HB       LYS  99 -13.363   7.436 -10.152
  707   2HB   LYS  99          2HB       LYS  99 -11.905   7.681 -11.092
  708   1HG   LYS  99          2HG       LYS  99 -12.929   6.201 -12.530
  709   2HG   LYS  99          1HG       LYS  99 -12.188   5.009 -11.481
  710   1HD   LYS  99          1HD       LYS  99 -14.281   4.893 -10.121
  711   2HD   LYS  99          2HD       LYS  99 -15.024   6.098 -11.154
  712   1HE   LYS  99          2HE       LYS  99 -15.688   4.455 -12.566
  713   2HE   LYS  99          1HE       LYS  99 -14.010   4.088 -12.911
  714   1HZ   LYS  99          1HZ       LYS  99 -14.070   2.742 -10.821
  715   2HZ   LYS  99          2HZ       LYS  99 -15.694   2.912 -10.823
  716   3HZ   LYS  99          3HZ       LYS  99 -14.951   2.152 -12.063
  717    H    LYS 100           H        LYS 100 -10.158   6.116  -7.293
  718    HA   LYS 100           HA       LYS 100  -8.172   7.989  -8.029
  719   1HB   LYS 100          1HB       LYS 100  -8.802   9.446  -5.891
  720   2HB   LYS 100          2HB       LYS 100  -9.388   9.830  -7.497
  721   1HG   LYS 100          1HG       LYS 100 -11.430   8.314  -6.929
  722   2HG   LYS 100          2HG       LYS 100 -10.876   8.387  -5.268
  723   1HD   LYS 100          1HD       LYS 100 -11.241  10.945  -6.862
  724   2HD   LYS 100          2HD       LYS 100 -12.627  10.165  -6.125
  725   1HE   LYS 100          1HE       LYS 100 -11.411  10.216  -3.899
  726   2HE   LYS 100          2HE       LYS 100 -10.113  11.110  -4.666
  727   1HZ   LYS 100          1HZ       LYS 100 -12.547  12.323  -5.283
  728   2HZ   LYS 100          2HZ       LYS 100 -12.472  12.111  -3.666
  729   3HZ   LYS 100          3HZ       LYS 100 -11.292  12.936  -4.437
  730    H    LEU 101           H        LEU 101  -9.918   6.280  -5.370
  731    HA   LEU 101           HA       LEU 101  -7.373   5.853  -4.031
  732   1HB   LEU 101          1HB       LEU 101 -10.157   5.049  -3.184
  733   2HB   LEU 101          2HB       LEU 101  -8.704   5.009  -2.204
  734    HG   LEU 101           HG       LEU 101 -10.266   7.406  -3.152
  735   1HD1  LEU 101          1HD1      LEU 101 -10.602   6.013  -0.923
  736   2HD1  LEU 101          2HD1      LEU 101  -9.252   7.033  -0.369
  737   3HD1  LEU 101          3HD1      LEU 101 -10.755   7.786  -0.957
  738   1HD2  LEU 101          1HD2      LEU 101  -7.856   7.796  -3.626
  739   2HD2  LEU 101          2HD2      LEU 101  -8.531   8.891  -2.397
  740   3HD2  LEU 101          3HD2      LEU 101  -7.509   7.520  -1.903
  741    H    THR 102           H        THR 102  -9.835   4.196  -5.990
  742    HA   THR 102           HA       THR 102  -8.161   1.774  -5.842
  743    HB   THR 102           HB       THR 102 -10.208   0.469  -5.963
  744    HG1  THR 102           HG1      THR 102 -11.505   1.681  -7.371
  745   1HG2  THR 102          1HG2      THR 102  -9.736   1.836  -3.721
  746   2HG2  THR 102          2HG2      THR 102 -11.161   2.772  -4.234
  747   3HG2  THR 102          3HG2      THR 102 -11.303   1.021  -3.942
  748    H    GLY 103           H        GLY 103  -8.768   4.408  -7.687
  749   1HA   GLY 103          2HA       GLY 103  -8.510   4.861  -9.872
  750   2HA   GLY 103          1HA       GLY 103  -9.510   3.458 -10.193
  751    H    CYS 104           H        CYS 104  -8.583   1.890 -11.429
  752    HA   CYS 104           HA       CYS 104  -6.078   0.825 -10.893
  753   1HB   CYS 104          1HB       CYS 104  -8.149   0.527 -12.961
  754   2HB   CYS 104          2HB       CYS 104  -6.526   0.173 -13.519
  755    H    LYS 105           H        LYS 105  -7.235   3.101 -13.486
  756    HA   LYS 105           HA       LYS 105  -4.454   4.012 -13.726
  757   1HB   LYS 105          2HB       LYS 105  -4.811   4.319 -16.127
  758   2HB   LYS 105          1HB       LYS 105  -4.994   2.640 -15.660
  759   1HG   LYS 105          1HG       LYS 105  -7.255   2.604 -16.130
  760   2HG   LYS 105          2HG       LYS 105  -7.509   4.246 -15.571
  761   1HD   LYS 105          2HD       LYS 105  -7.575   4.898 -17.743
  762   2HD   LYS 105          1HD       LYS 105  -5.861   4.548 -17.842
  763   1HE   LYS 105          1HE       LYS 105  -6.896   3.282 -19.607
  764   2HE   LYS 105          2HE       LYS 105  -6.475   2.118 -18.366
  765   1HZ   LYS 105          1HZ       LYS 105  -8.971   3.012 -17.719
  766   2HZ   LYS 105          2HZ       LYS 105  -9.017   2.805 -19.338
  767   3HZ   LYS 105          3HZ       LYS 105  -8.591   1.563 -18.368
  768    H    GLY 106           H        GLY 106  -4.141   6.205 -13.596
  769   1HA   GLY 106          2HA       GLY 106  -6.272   8.058 -14.110
  770   2HA   GLY 106          1HA       GLY 106  -4.651   8.414 -13.547
  771    H    SER 107           H        SER 107  -4.489   6.842 -11.193
  772    HA   SER 107           HA       SER 107  -6.627   8.051  -9.616
  773   1HB   SER 107          2HB       SER 107  -6.602   6.178  -8.135
  774   2HB   SER 107          1HB       SER 107  -6.595   5.496  -9.750
  775    HG   SER 107           HG       SER 107  -4.890   4.409  -9.025
  776    H    ALA 108           H        ALA 108  -5.699   7.956  -7.080
  777    HA   ALA 108           HA       ALA 108  -3.544   9.821  -7.134
  778   1HB   ALA 108          1HB       ALA 108  -3.865   9.665  -4.615
  779   2HB   ALA 108          3HB       ALA 108  -5.147   8.471  -4.933
  780   3HB   ALA 108          2HB       ALA 108  -5.310  10.136  -5.541
  781    H    CYS 109           H        CYS 109  -3.640   6.489  -7.486
  782    HA   CYS 109           HA       CYS 109  -1.146   6.130  -6.006
  783   1HB   CYS 109          1HB       CYS 109  -3.208   4.144  -6.992
  784   2HB   CYS 109          2HB       CYS 109  -1.618   3.655  -6.442
  785    H    HIS 110           H        HIS 110  -2.827   5.595  -9.172
  786    HA   HIS 110           HA       HIS 110  -0.168   5.464 -10.399
  787   1HB   HIS 110          1HB       HIS 110  -2.739   4.108 -11.256
  788   2HB   HIS 110          2HB       HIS 110  -1.265   4.132 -12.204
  789    HD1  HIS 110           HD1      HIS 110   0.937   3.298 -10.445
  790    HD2  HIS 110           HD2      HIS 110  -2.922   1.726  -9.962
  791    HE1  HIS 110           HE1      HIS 110   1.215   1.094  -9.189
  792    HA   PRO 111           HA       PRO 111  -2.110   9.192 -12.111
  793   1HB   PRO 111          1HB       PRO 111  -0.262  11.008 -11.386
  794   2HB   PRO 111          2HB       PRO 111  -1.350  10.288 -10.155
  795   1HG   PRO 111          1HG       PRO 111   1.291   9.539 -11.068
  796   2HG   PRO 111          2HG       PRO 111   1.124   9.565  -9.281
  797   1HD   PRO 111          1HD       PRO 111   1.092   7.221 -10.649
  798   2HD   PRO 111          2HD       PRO 111  -0.053   7.482  -9.298
  799    H    SER 112           H        SER 112  -1.482   7.714 -14.099
  800    HA   SER 112           HA       SER 112   0.866   8.951 -15.311
  801   1HB   SER 112          1HB       SER 112   1.270   6.847 -16.534
  802   2HB   SER 112          2HB       SER 112   1.308   6.575 -14.803
  803    HG   SER 112           HG       SER 112  -0.913   6.021 -16.581

  No H/Q in entry =         803
  Start of MODEL    9
    1    H1   VAL   1           H1       VAL   1   8.385   9.471  18.034
    2    H2   VAL   1           H2       VAL   1   7.947   7.921  17.652
    3    H3   VAL   1           H3       VAL   1   9.231   8.193  18.661
    4    HA   VAL   1           HA       VAL   1  10.617   8.820  17.069
    5    HB   VAL   1           HB       VAL   1  10.330   6.551  16.686
    6   1HG1  VAL   1          1HG1      VAL   1   7.544   7.296  16.122
    7   2HG1  VAL   1          2HG1      VAL   1   8.181   6.042  15.032
    8   3HG1  VAL   1          3HG1      VAL   1   8.218   5.791  16.794
    9   1HG2  VAL   1          1HG2      VAL   1  11.095   8.027  14.661
   10   2HG2  VAL   1          2HG2      VAL   1  10.784   6.290  14.428
   11   3HG2  VAL   1          3HG2      VAL   1   9.563   7.488  13.933
   12    H    ASP   2           H        ASP   2   7.459   9.986  16.840
   13    HA   ASP   2           HA       ASP   2   6.519  11.567  15.694
   14   1HB   ASP   2          1HB       ASP   2   9.264  12.170  14.500
   15   2HB   ASP   2          2HB       ASP   2   7.901  13.269  14.561
   16    H    VAL   3           H        VAL   3   5.179  10.939  13.996
   17    HA   VAL   3           HA       VAL   3   5.892   9.120  12.050
   18    HB   VAL   3           HB       VAL   3   3.607  10.090  12.916
   19   1HG1  VAL   3          1HG1      VAL   3   4.046  12.367  11.979
   20   2HG1  VAL   3          2HG1      VAL   3   3.958  11.666  10.345
   21   3HG1  VAL   3          3HG1      VAL   3   2.529  11.633  11.405
   22   1HG2  VAL   3          1HG2      VAL   3   4.038   9.145  10.061
   23   2HG2  VAL   3          2HG2      VAL   3   3.840   8.114  11.499
   24   3HG2  VAL   3          3HG2      VAL   3   2.488   9.127  10.937
   25    HA   PRO   4           HA       PRO   4   8.865  11.276   9.604
   26   1HB   PRO   4          2HB       PRO   4   7.636   9.389   7.563
   27   2HB   PRO   4          1HB       PRO   4   9.354   9.741   7.941
   28   1HG   PRO   4          1HG       PRO   4   8.361   7.464   9.077
   29   2HG   PRO   4          2HG       PRO   4   9.487   8.612   9.872
   30   1HD   PRO   4          2HD       PRO   4   6.478   8.250  10.202
   31   2HD   PRO   4          1HD       PRO   4   7.716   8.611  11.444
   32    H    ALA   5           H        ALA   5   8.816  12.600   7.516
   33    HA   ALA   5           HA       ALA   5   6.254  13.927   7.364
   34   1HB   ALA   5          1HB       ALA   5   7.839  15.564   7.315
   35   2HB   ALA   5          3HB       ALA   5   9.088  14.479   6.659
   36   3HB   ALA   5          2HB       ALA   5   7.874  15.198   5.574
   37    H    ASP   6           H        ASP   6   5.064  14.232   5.375
   38    HA   ASP   6           HA       ASP   6   4.720  11.935   3.949
   39   1HB   ASP   6          2HB       ASP   6   3.147  13.147   2.704
   40   2HB   ASP   6          1HB       ASP   6   3.273  14.124   4.154
   41    H    GLY   7           H        GLY   7   4.666  12.763   1.167
   42   1HA   GLY   7          2HA       GLY   7   7.155  13.838   0.318
   43   2HA   GLY   7          1HA       GLY   7   5.953  13.026  -0.665
   44    H    ALA   8           H        ALA   8   5.886  10.529   0.929
   45    HA   ALA   8           HA       ALA   8   8.618   9.547   0.665
   46   1HB   ALA   8          1HB       ALA   8   6.142   8.766   2.144
   47   2HB   ALA   8          2HB       ALA   8   7.842   8.747   2.670
   48   3HB   ALA   8          3HB       ALA   8   7.219   7.448   1.625
   49    H    LYS   9           H        LYS   9   9.012   9.263  -1.527
   50    HA   LYS   9           HA       LYS   9   7.023   8.228  -3.265
   51   1HB   LYS   9          2HB       LYS   9   8.492   8.718  -4.923
   52   2HB   LYS   9          1HB       LYS   9   9.197   9.716  -3.667
   53   1HG   LYS   9          1HG       LYS   9  11.132   8.586  -4.093
   54   2HG   LYS   9          2HG       LYS   9  10.419   7.281  -3.166
   55   1HD   LYS   9          1HD       LYS   9   9.445   6.326  -5.270
   56   2HD   LYS   9          2HD       LYS   9  10.171   7.626  -6.193
   57   1HE   LYS   9          1HE       LYS   9  11.691   5.786  -6.402
   58   2HE   LYS   9          2HE       LYS   9  12.447   6.875  -5.255
   59   1HZ   LYS   9          1HZ       LYS   9  10.740   5.099  -3.916
   60   2HZ   LYS   9          2HZ       LYS   9  11.783   4.254  -4.846
   61   3HZ   LYS   9          3HZ       LYS   9  12.349   5.307  -3.733
   62    H    ILE  10           H        ILE  10   6.770   6.144  -4.122
   63    HA   ILE  10           HA       ILE  10   8.382   4.086  -2.782
   64    HB   ILE  10           HB       ILE  10   5.444   3.898  -3.449
   65   1HG1  ILE  10          1HG1      ILE  10   6.546   4.114  -0.656
   66   2HG1  ILE  10          2HG1      ILE  10   6.200   5.560  -1.584
   67   1HG2  ILE  10          1HG2      ILE  10   7.400   1.922  -2.904
   68   2HG2  ILE  10          2HG2      ILE  10   6.354   2.040  -1.469
   69   3HG2  ILE  10          3HG2      ILE  10   5.639   1.724  -3.069
   70   1HD1  ILE  10          1HD1      ILE  10   4.130   3.351  -1.346
   71   2HD1  ILE  10          2HD1      ILE  10   4.305   4.590  -0.079
   72   3HD1  ILE  10          3HD1      ILE  10   3.881   5.069  -1.740
   73    H    ASP  11           H        ASP  11   9.538   2.874  -4.176
   74    HA   ASP  11           HA       ASP  11   8.368   2.117  -6.650
   75   1HB   ASP  11          1HB       ASP  11   9.211   4.203  -7.468
   76   2HB   ASP  11          2HB       ASP  11  10.677   4.083  -6.515
   77    H    PHE  12           H        PHE  12   8.775  -0.042  -5.851
   78    HA   PHE  12           HA       PHE  12  11.616  -0.681  -5.473
   79   1HB   PHE  12          1HB       PHE  12   9.033  -2.022  -4.468
   80   2HB   PHE  12          2HB       PHE  12  10.647  -2.594  -4.098
   81    HD1  PHE  12           HD1      PHE  12  12.094  -0.165  -3.410
   82    HD2  PHE  12           HD2      PHE  12   8.102  -1.273  -2.490
   83    HE1  PHE  12           HE1      PHE  12  12.152   1.310  -1.380
   84    HE2  PHE  12           HE2      PHE  12   8.160   0.202  -0.461
   85    HZ   PHE  12           HZ       PHE  12  10.184   1.477   0.070
   86    H    ILE  13           H        ILE  13   8.621  -1.319  -7.230
   87    HA   ILE  13           HA       ILE  13   9.819  -3.682  -8.458
   88    HB   ILE  13           HB       ILE  13   7.016  -2.564  -8.529
   89   1HG1  ILE  13          1HG1      ILE  13   7.914  -5.172  -7.305
   90   2HG1  ILE  13          2HG1      ILE  13   7.957  -3.675  -6.394
   91   1HG2  ILE  13          1HG2      ILE  13   8.300  -4.847 -10.005
   92   2HG2  ILE  13          2HG2      ILE  13   6.575  -4.899  -9.567
   93   3HG2  ILE  13          3HG2      ILE  13   7.192  -3.588 -10.601
   94   1HD1  ILE  13          1HD1      ILE  13   5.405  -4.014  -7.827
   95   2HD1  ILE  13          2HD1      ILE  13   5.736  -5.346  -6.694
   96   3HD1  ILE  13          3HD1      ILE  13   5.701  -3.666  -6.106
   97    H    ALA  14           H        ALA  14  11.354  -2.925  -9.898
   98    HA   ALA  14           HA       ALA  14  10.803  -0.646 -11.533
   99   1HB   ALA  14          1HB       ALA  14  13.029  -2.665 -11.241
  100   2HB   ALA  14          2HB       ALA  14  13.064  -0.905 -10.982
  101   3HB   ALA  14          3HB       ALA  14  12.998  -1.560 -12.636
  102    H    GLY  15           H        GLY  15  10.671  -0.681 -13.899
  103   1HA   GLY  15          2HA       GLY  15   8.710  -2.075 -15.019
  104   2HA   GLY  15          1HA       GLY  15  10.016  -3.238 -15.135
  105    H    GLY  16           H        GLY  16  10.901  -3.229 -17.151
  106   1HA   GLY  16          2HA       GLY  16  10.593  -1.454 -19.146
  107   2HA   GLY  16          1HA       GLY  16  12.039  -2.420 -18.934
  108    H    GLU  17           H        GLU  17  11.528   0.462 -19.903
  109    HA   GLU  17           HA       GLU  17  13.693   1.570 -18.361
  110   1HB   GLU  17          1HB       GLU  17  12.455   2.114 -21.048
  111   2HB   GLU  17          2HB       GLU  17  13.295   3.435 -20.262
  112   1HG   GLU  17          1HG       GLU  17  14.509   0.670 -20.720
  113   2HG   GLU  17          2HG       GLU  17  14.767   2.042 -21.780
  114    H    LYS  18           H        LYS  18  10.836   1.305 -17.327
  115    HA   LYS  18           HA       LYS  18  10.596   4.092 -16.508
  116   1HB   LYS  18          2HB       LYS  18   8.216   4.149 -16.900
  117   2HB   LYS  18          1HB       LYS  18   9.045   3.800 -18.404
  118   1HG   LYS  18          1HG       LYS  18   8.562   1.376 -18.137
  119   2HG   LYS  18          2HG       LYS  18   7.793   1.681 -16.592
  120   1HD   LYS  18          1HD       LYS  18   5.848   2.376 -17.566
  121   2HD   LYS  18          2HD       LYS  18   6.685   3.388 -18.726
  122   1HE   LYS  18          1HE       LYS  18   6.406   1.835 -20.358
  123   2HE   LYS  18          2HE       LYS  18   7.204   0.613 -19.388
  124   1HZ   LYS  18          1HZ       LYS  18   4.969   0.530 -18.179
  125   2HZ   LYS  18          2HZ       LYS  18   4.365   1.257 -19.511
  126   3HZ   LYS  18          3HZ       LYS  18   5.095  -0.199 -19.634
  127    H    ASN  19           H        ASN  19   8.226   3.686 -14.945
  128    HA   ASN  19           HA       ASN  19   8.149   1.446 -13.447
  129   1HB   ASN  19          1HB       ASN  19   9.419   2.246 -11.341
  130   2HB   ASN  19          2HB       ASN  19  10.417   1.686 -12.668
  131   2HD2  ASN  19          2HD2      ASN  19  11.780   3.109 -11.073
  132   1HD2  ASN  19          1HD2      ASN  19  12.036   4.746 -11.577
  133    H    LEU  20           H        LEU  20   6.251   1.726 -12.229
  134    HA   LEU  20           HA       LEU  20   5.082   4.327 -12.163
  135   1HB   LEU  20          1HB       LEU  20   4.216   1.637 -11.106
  136   2HB   LEU  20          2HB       LEU  20   3.253   3.092 -10.954
  137    HG   LEU  20           HG       LEU  20   4.042   1.656 -13.495
  138   1HD1  LEU  20          1HD1      LEU  20   2.055   0.940 -11.987
  139   2HD1  LEU  20          2HD1      LEU  20   1.253   2.387 -12.644
  140   3HD1  LEU  20          3HD1      LEU  20   1.806   1.100 -13.743
  141   1HD2  LEU  20          1HD2      LEU  20   2.790   4.392 -13.177
  142   2HD2  LEU  20          2HD2      LEU  20   4.297   3.965 -14.023
  143   3HD2  LEU  20          3HD2      LEU  20   2.728   3.440 -14.679
  144    H    THR  21           H        THR  21   5.489   5.869 -10.681
  145    HA   THR  21           HA       THR  21   6.546   4.978  -8.085
  146    HB   THR  21           HB       THR  21   6.687   7.825  -9.097
  147    HG1  THR  21           HG1      THR  21   8.443   7.111 -10.468
  148   1HG2  THR  21          1HG2      THR  21   8.156   6.020  -7.236
  149   2HG2  THR  21          2HG2      THR  21   9.210   6.974  -8.307
  150   3HG2  THR  21          3HG2      THR  21   8.050   7.797  -7.236
  151    H    VAL  22           H        VAL  22   5.083   4.824  -6.511
  152    HA   VAL  22           HA       VAL  22   2.762   6.592  -6.663
  153    HB   VAL  22           HB       VAL  22   3.351   4.073  -5.100
  154   1HG1  VAL  22          1HG1      VAL  22   1.483   6.176  -4.510
  155   2HG1  VAL  22          2HG1      VAL  22   0.587   4.717  -4.995
  156   3HG1  VAL  22          3HG1      VAL  22   1.753   4.640  -3.652
  157   1HG2  VAL  22          1HG2      VAL  22   2.002   4.682  -7.661
  158   2HG2  VAL  22          2HG2      VAL  22   2.764   3.178  -7.089
  159   3HG2  VAL  22          3HG2      VAL  22   1.109   3.589  -6.577
  160    H    VAL  23           H        VAL  23   2.237   8.048  -5.006
  161    HA   VAL  23           HA       VAL  23   4.453   8.543  -3.150
  162    HB   VAL  23           HB       VAL  23   2.290  10.341  -4.259
  163   1HG1  VAL  23          1HG1      VAL  23   4.464  10.917  -2.221
  164   2HG1  VAL  23          2HG1      VAL  23   3.528  12.170  -3.071
  165   3HG1  VAL  23          3HG1      VAL  23   2.703  11.023  -1.987
  166   1HG2  VAL  23          1HG2      VAL  23   4.681   9.552  -5.408
  167   2HG2  VAL  23          2HG2      VAL  23   3.759  11.020  -5.813
  168   3HG2  VAL  23          3HG2      VAL  23   5.095  11.104  -4.641
  169    H    PHE  24           H        PHE  24   4.080   8.687  -0.924
  170    HA   PHE  24           HA       PHE  24   1.324   8.181  -0.077
  171   1HB   PHE  24          1HB       PHE  24   2.846   6.094  -0.163
  172   2HB   PHE  24          2HB       PHE  24   3.907   6.886   0.984
  173    HD1  PHE  24           HD1      PHE  24   0.280   6.040   0.649
  174    HD2  PHE  24           HD2      PHE  24   3.658   6.324   3.201
  175    HE1  PHE  24           HE1      PHE  24  -1.075   5.108   2.545
  176    HE2  PHE  24           HE2      PHE  24   2.304   5.392   5.097
  177    HZ   PHE  24           HZ       PHE  24  -0.047   4.796   4.747
  178    H    ASN  25           H        ASN  25   0.807   8.955   2.066
  179    HA   ASN  25           HA       ASN  25   2.887  10.623   3.223
  180   1HB   ASN  25          1HB       ASN  25   1.352  12.099   1.922
  181   2HB   ASN  25          2HB       ASN  25  -0.035  11.418   2.749
  182   2HD2  ASN  25          2HD2      ASN  25  -0.201  13.854   3.060
  183   1HD2  ASN  25          1HD2      ASN  25   0.446  14.507   4.529
  184    H    HIS  26           H        HIS  26   2.768  10.713   5.561
  185    HA   HIS  26           HA       HIS  26   1.105   8.647   6.699
  186   1HB   HIS  26          1HB       HIS  26   3.533  10.170   7.517
  187   2HB   HIS  26          2HB       HIS  26   2.491   9.586   8.799
  188    HD1  HIS  26           HD1      HIS  26   4.680   8.347   5.965
  189    HD2  HIS  26           HD2      HIS  26   2.565   6.824   9.252
  190    HE1  HIS  26           HE1      HIS  26   5.411   5.916   6.221
  191    H    SER  27           H        SER  27   1.130  12.104   6.256
  192    HA   SER  27           HA       SER  27  -0.502  12.607   8.540
  193   1HB   SER  27          2HB       SER  27  -0.405  14.650   6.385
  194   2HB   SER  27          1HB       SER  27  -0.104  14.823   8.102
  195    HG   SER  27           HG       SER  27   1.692  14.330   6.008
  196    H    THR  28           H        THR  28  -1.144  10.884   5.869
  197    HA   THR  28           HA       THR  28  -3.740  12.143   5.317
  198    HB   THR  28           HB       THR  28  -2.108  10.023   3.821
  199    HG1  THR  28           HG1      THR  28  -1.441  12.401   3.972
  200   1HG2  THR  28          1HG2      THR  28  -4.742  10.127   3.532
  201   2HG2  THR  28          2HG2      THR  28  -4.407  11.670   2.709
  202   3HG2  THR  28          3HG2      THR  28  -3.715  10.156   2.078
  203    H    HIS  29           H        HIS  29  -2.156   9.126   6.438
  204    HA   HIS  29           HA       HIS  29  -4.825   8.082   7.000
  205   1HB   HIS  29          1HB       HIS  29  -2.165   6.630   7.006
  206   2HB   HIS  29          2HB       HIS  29  -3.749   5.905   7.195
  207    HD1  HIS  29           HD1      HIS  29  -1.540   7.556   4.592
  208    HD2  HIS  29           HD2      HIS  29  -5.148   5.428   4.821
  209    HE1  HIS  29           HE1      HIS  29  -2.192   6.993   2.190
  210    H    LYS  30           H        LYS  30  -3.350  10.268   8.504
  211    HA   LYS  30           HA       LYS  30  -2.271   9.281  10.856
  212   1HB   LYS  30          2HB       LYS  30  -2.602  11.504  11.729
  213   2HB   LYS  30          1HB       LYS  30  -2.084  11.609  10.058
  214   1HG   LYS  30          1HG       LYS  30  -4.655  11.687   9.497
  215   2HG   LYS  30          2HG       LYS  30  -4.863  12.068  11.195
  216   1HD   LYS  30          1HD       LYS  30  -2.941  13.870  10.689
  217   2HD   LYS  30          2HD       LYS  30  -3.501  13.688   9.039
  218   1HE   LYS  30          1HE       LYS  30  -5.858  13.908  10.635
  219   2HE   LYS  30          2HE       LYS  30  -4.754  15.123  11.248
  220   1HZ   LYS  30          1HZ       LYS  30  -4.456  15.445   8.645
  221   2HZ   LYS  30          2HZ       LYS  30  -6.012  14.951   8.675
  222   3HZ   LYS  30          3HZ       LYS  30  -5.557  16.267   9.528
  223    H    ASP  31           H        ASP  31  -5.518   9.161   9.644
  224    HA   ASP  31           HA       ASP  31  -6.661   8.992  12.265
  225   1HB   ASP  31          1HB       ASP  31  -8.121   9.990  10.691
  226   2HB   ASP  31          2HB       ASP  31  -7.684   8.864   9.422
  227    H    VAL  32           H        VAL  32  -4.779   6.989  10.383
  228    HA   VAL  32           HA       VAL  32  -6.255   4.572  11.169
  229    HB   VAL  32           HB       VAL  32  -4.163   4.859   9.009
  230   1HG1  VAL  32          1HG1      VAL  32  -4.994   2.592  10.256
  231   2HG1  VAL  32          2HG1      VAL  32  -6.181   2.690   8.934
  232   3HG1  VAL  32          3HG1      VAL  32  -4.440   2.657   8.566
  233   1HG2  VAL  32          1HG2      VAL  32  -6.273   6.227   8.620
  234   2HG2  VAL  32          2HG2      VAL  32  -5.879   5.019   7.373
  235   3HG2  VAL  32          3HG2      VAL  32  -7.155   4.682   8.568
  236    H    LYS  33           H        LYS  33  -5.312   3.200  12.622
  237    HA   LYS  33           HA       LYS  33  -3.214   4.032  14.181
  238   1HB   LYS  33          1HB       LYS  33  -4.118   1.181  13.680
  239   2HB   LYS  33          2HB       LYS  33  -3.200   1.748  15.060
  240   1HG   LYS  33          1HG       LYS  33  -5.254   3.489  15.250
  241   2HG   LYS  33          2HG       LYS  33  -6.097   2.224  14.378
  242   1HD   LYS  33          1HD       LYS  33  -5.347   0.564  16.129
  243   2HD   LYS  33          2HD       LYS  33  -4.596   1.875  17.017
  244   1HE   LYS  33          1HE       LYS  33  -7.546   1.948  16.258
  245   2HE   LYS  33          2HE       LYS  33  -6.995   1.171  17.729
  246   1HZ   LYS  33          1HZ       LYS  33  -5.745   3.496  17.880
  247   2HZ   LYS  33          2HZ       LYS  33  -7.091   3.962  17.081
  248   3HZ   LYS  33          3HZ       LYS  33  -7.217   3.223  18.532
  249    H    CYS  34           H        CYS  34  -1.021   3.004  14.453
  250    HA   CYS  34           HA       CYS  34   0.316   3.129  11.950
  251   1HB   CYS  34          1HB       CYS  34   1.519   2.283  14.584
  252   2HB   CYS  34          2HB       CYS  34   2.333   2.974  13.194
  253    H    ASP  35           H        ASP  35  -0.620   0.614  14.355
  254    HA   ASP  35           HA       ASP  35   0.813  -1.447  13.149
  255   1HB   ASP  35          1HB       ASP  35  -0.770  -2.928  14.464
  256   2HB   ASP  35          2HB       ASP  35   0.037  -1.703  15.423
  257    H    ASP  36           H        ASP  36  -1.850   0.380  12.080
  258    HA   ASP  36           HA       ASP  36  -3.500  -1.581  11.017
  259   1HB   ASP  36          1HB       ASP  36  -3.783   1.040  11.308
  260   2HB   ASP  36          2HB       ASP  36  -3.079   1.121   9.705
  261    H    CYS  37           H        CYS  37  -0.333  -0.412  10.168
  262    HA   CYS  37           HA       CYS  37  -0.524  -1.821   7.613
  263   1HB   CYS  37          1HB       CYS  37   0.840   0.847   8.091
  264   2HB   CYS  37          2HB       CYS  37   1.088  -0.138   6.663
  265    H    HIS  38           H        HIS  38   1.583  -0.398  10.205
  266    HA   HIS  38           HA       HIS  38   3.737  -2.149   9.543
  267   1HB   HIS  38          1HB       HIS  38   3.317  -0.320  11.924
  268   2HB   HIS  38          2HB       HIS  38   4.813  -1.142  11.528
  269    HD1  HIS  38           HD1      HIS  38   5.799  -0.477   9.003
  270    HD2  HIS  38           HD2      HIS  38   3.110   2.177  10.824
  271    HE1  HIS  38           HE1      HIS  38   6.090   1.762   7.815
  272    H    HIS  39           H        HIS  39   2.192  -4.099   9.658
  273    HA   HIS  39           HA       HIS  39   1.412  -4.899  12.282
  274   1HB   HIS  39          1HB       HIS  39   0.397  -6.729  11.252
  275   2HB   HIS  39          2HB       HIS  39   0.239  -5.435  10.082
  276    HD1  HIS  39           HD1      HIS  39   1.531  -8.854  10.483
  277    HD2  HIS  39           HD2      HIS  39   2.169  -5.639   7.865
  278    HE1  HIS  39           HE1      HIS  39   2.700  -9.823   8.432
  279    H    GLN  40           H        GLN  40   3.904  -4.365  12.825
  280    HA   GLN  40           HA       GLN  40   5.178  -6.982  12.818
  281   1HB   GLN  40          1HB       GLN  40   6.377  -4.308  12.067
  282   2HB   GLN  40          2HB       GLN  40   7.398  -5.535  12.788
  283   1HG   GLN  40          1HG       GLN  40   5.716  -5.868  10.260
  284   2HG   GLN  40          2HG       GLN  40   7.458  -5.689  10.317
  285   2HE2  GLN  40          2HE2      GLN  40   4.883  -7.819  10.282
  286   1HE2  GLN  40          1HE2      GLN  40   5.686  -9.290  10.724
  287    HA   PRO  41           HA       PRO  41   5.556  -6.621  17.157
  288   1HB   PRO  41          1HB       PRO  41   8.110  -7.604  17.568
  289   2HB   PRO  41          2HB       PRO  41   6.712  -8.627  17.103
  290   1HG   PRO  41          2HG       PRO  41   8.726  -7.296  15.231
  291   2HG   PRO  41          1HG       PRO  41   8.419  -9.058  15.098
  292   1HD   PRO  41          1HD       PRO  41   7.024  -7.568  13.483
  293   2HD   PRO  41          2HD       PRO  41   6.041  -8.587  14.578
  294    H    GLY  42           H        GLY  42   6.524  -5.258  18.839
  295   1HA   GLY  42          2HA       GLY  42   7.658  -3.483  19.637
  296   2HA   GLY  42          1HA       GLY  42   7.269  -2.736  18.100
  297    H    ASP  43           H        ASP  43   9.526  -1.758  18.980
  298    HA   ASP  43           HA       ASP  43  11.695  -1.602  18.808
  299   1HB   ASP  43          1HB       ASP  43  11.383  -4.404  19.043
  300   2HB   ASP  43          2HB       ASP  43  12.400  -4.204  17.631
  301    H    LYS  44           H        LYS  44  10.862  -4.085  16.261
  302    HA   LYS  44           HA       LYS  44  11.846  -2.185  14.254
  303   1HB   LYS  44          1HB       LYS  44  13.013  -4.428  14.574
  304   2HB   LYS  44          2HB       LYS  44  11.564  -5.182  13.941
  305   1HG   LYS  44          1HG       LYS  44  12.631  -4.893  11.923
  306   2HG   LYS  44          2HG       LYS  44  11.917  -3.295  12.015
  307   1HD   LYS  44          2HD       LYS  44  13.999  -2.402  11.960
  308   2HD   LYS  44          1HD       LYS  44  14.319  -3.121  13.526
  309   1HE   LYS  44          1HE       LYS  44  14.538  -4.952  11.156
  310   2HE   LYS  44          2HE       LYS  44  15.769  -3.712  11.295
  311   1HZ   LYS  44          1HZ       LYS  44  15.072  -5.357  13.605
  312   2HZ   LYS  44          2HZ       LYS  44  16.122  -5.908  12.481
  313   3HZ   LYS  44          3HZ       LYS  44  16.457  -4.543  13.312
  314    H    GLN  45           H        GLN  45   9.127  -2.325  15.634
  315    HA   GLN  45           HA       GLN  45   7.216  -3.465  14.135
  316   1HB   GLN  45          1HB       GLN  45   6.854  -2.174  16.240
  317   2HB   GLN  45          2HB       GLN  45   7.116  -0.676  15.369
  318   1HG   GLN  45          1HG       GLN  45   5.089  -0.833  14.193
  319   2HG   GLN  45          2HG       GLN  45   5.033  -2.581  14.302
  320   2HE2  GLN  45          2HE2      GLN  45   2.800  -2.094  14.918
  321   1HE2  GLN  45          1HE2      GLN  45   2.418  -1.805  16.583
  322    H    TYR  46           H        TYR  46   9.043  -0.508  13.479
  323    HA   TYR  46           HA       TYR  46   7.592  -0.151  10.912
  324   1HB   TYR  46          1HB       TYR  46   9.618   1.724  12.142
  325   2HB   TYR  46          2HB       TYR  46   8.375   2.081  10.931
  326    HD1  TYR  46           HD1      TYR  46   5.966   2.162  11.605
  327    HD2  TYR  46           HD2      TYR  46   9.141   1.814  14.477
  328    HE1  TYR  46           HE1      TYR  46   4.417   2.877  13.404
  329    HE2  TYR  46           HE2      TYR  46   7.591   2.530  16.277
  330    HH   TYR  46           HH       TYR  46   4.291   3.628  15.616
  331    H    ALA  47           H        ALA  47   8.605  -1.833   9.646
  332    HA   ALA  47           HA       ALA  47  11.404  -1.200   9.045
  333   1HB   ALA  47          1HB       ALA  47  10.323  -3.619  10.251
  334   2HB   ALA  47          3HB       ALA  47  12.018  -3.162   9.958
  335   3HB   ALA  47          2HB       ALA  47  11.083  -3.976   8.682
  336    H    GLY  48           H        GLY  48  11.982  -2.556   6.897
  337   1HA   GLY  48          2HA       GLY  48  11.658  -2.613   4.670
  338   2HA   GLY  48          1HA       GLY  48  10.311  -1.510   4.872
  339    H    CYS  49           H        CYS  49   8.745  -2.465   3.573
  340    HA   CYS  49           HA       CYS  49   7.486  -4.775   4.641
  341   1HB   CYS  49          1HB       CYS  49   6.872  -3.459   1.997
  342   2HB   CYS  49          2HB       CYS  49   5.810  -4.436   2.992
  343    H    THR  50           H        THR  50   9.819  -3.988   2.082
  344    HA   THR  50           HA       THR  50   9.568  -6.649   0.912
  345    HB   THR  50           HB       THR  50  11.169  -5.650  -0.763
  346    HG1  THR  50           HG1      THR  50  12.279  -4.157   0.582
  347   1HG2  THR  50          1HG2      THR  50   8.523  -4.463  -0.087
  348   2HG2  THR  50          2HG2      THR  50   9.592  -3.374  -1.004
  349   3HG2  THR  50          3HG2      THR  50   9.161  -4.967  -1.670
  350    H    THR  51           H        THR  51  10.557  -6.115   3.740
  351    HA   THR  51           HA       THR  51  13.363  -6.626   3.658
  352    HB   THR  51           HB       THR  51  11.294  -6.942   5.897
  353    HG1  THR  51           HG1      THR  51  11.748  -4.826   4.535
  354   1HG2  THR  51          1HG2      THR  51  14.330  -6.755   5.792
  355   2HG2  THR  51          2HG2      THR  51  13.439  -6.134   7.202
  356   3HG2  THR  51          3HG2      THR  51  13.322  -7.855   6.762
  357    H    ASP  52           H        ASP  52  14.457  -8.563   4.400
  358    HA   ASP  52           HA       ASP  52  13.693 -10.761   3.003
  359   1HB   ASP  52          1HB       ASP  52  15.930 -10.140   4.240
  360   2HB   ASP  52          2HB       ASP  52  15.228 -10.965   5.618
  361    H    GLY  53           H        GLY  53  12.863 -12.908   3.777
  362   1HA   GLY  53          2HA       GLY  53  11.925 -13.443   6.332
  363   2HA   GLY  53          1HA       GLY  53  11.368 -14.196   4.850
  364    H    CYS  54           H        CYS  54  10.561 -11.435   3.743
  365    HA   CYS  54           HA       CYS  54   8.005 -11.375   5.138
  366   1HB   CYS  54          2HB       CYS  54   9.458  -8.822   4.393
  367   2HB   CYS  54          1HB       CYS  54   7.950  -8.979   5.272
  368    H    HIS  55           H        HIS  55   7.918  -8.745   3.206
  369    HA   HIS  55           HA       HIS  55   6.933 -10.307   0.964
  370   1HB   HIS  55          1HB       HIS  55   6.637  -7.330   1.392
  371   2HB   HIS  55          2HB       HIS  55   5.695  -8.370   0.343
  372    HD1  HIS  55           HD1      HIS  55   4.107 -10.185   1.630
  373    HD2  HIS  55           HD2      HIS  55   5.618  -7.022   3.935
  374    HE1  HIS  55           HE1      HIS  55   2.674 -10.089   3.739
  375    H    ASN  56           H        ASN  56   9.628 -10.552   1.024
  376    HA   ASN  56           HA       ASN  56  10.780  -8.412  -0.492
  377   1HB   ASN  56          1HB       ASN  56  12.070  -9.666   1.286
  378   2HB   ASN  56          2HB       ASN  56  11.941 -11.128   0.328
  379   2HD2  ASN  56          2HD2      ASN  56  14.314  -9.771   1.189
  380   1HD2  ASN  56          1HD2      ASN  56  15.217  -9.307  -0.215
  381    H    ILE  57           H        ILE  57   8.917  -9.040  -2.190
  382    HA   ILE  57           HA       ILE  57  10.139 -10.913  -4.081
  383    HB   ILE  57           HB       ILE  57   7.182 -10.760  -3.491
  384   1HG1  ILE  57          1HG1      ILE  57   8.769 -11.787  -1.694
  385   2HG1  ILE  57          2HG1      ILE  57   7.310 -12.637  -2.165
  386   1HG2  ILE  57          1HG2      ILE  57   7.726 -11.328  -5.813
  387   2HG2  ILE  57          2HG2      ILE  57   8.771 -12.652  -5.246
  388   3HG2  ILE  57          3HG2      ILE  57   7.018 -12.711  -4.944
  389   1HD1  ILE  57          1HD1      ILE  57  10.022 -13.161  -3.457
  390   2HD1  ILE  57          2HD1      ILE  57   9.401 -14.083  -2.067
  391   3HD1  ILE  57          3HD1      ILE  57   8.541 -14.134  -3.624
  392    H    LEU  58           H        LEU  58  10.716  -9.778  -5.847
  393    HA   LEU  58           HA       LEU  58   9.107  -7.409  -6.477
  394   1HB   LEU  58          2HB       LEU  58  11.931  -8.066  -7.323
  395   2HB   LEU  58          1HB       LEU  58  11.061  -6.577  -7.637
  396    HG   LEU  58           HG       LEU  58  11.915  -7.600  -4.915
  397   1HD1  LEU  58          1HD1      LEU  58  13.018  -5.472  -6.749
  398   2HD1  LEU  58          2HD1      LEU  58  13.341  -5.484  -4.999
  399   3HD1  LEU  58          3HD1      LEU  58  13.857  -6.856  -6.009
  400   1HD2  LEU  58          1HD2      LEU  58   9.847  -5.756  -5.614
  401   2HD2  LEU  58          2HD2      LEU  58  10.426  -6.237  -4.001
  402   3HD2  LEU  58          3HD2      LEU  58  11.175  -4.858  -4.840
  403    H    ASP  59           H        ASP  59   7.451  -8.856  -7.424
  404    HA   ASP  59           HA       ASP  59   7.984  -9.149 -10.190
  405   1HB   ASP  59          1HB       ASP  59   8.719 -11.354  -8.824
  406   2HB   ASP  59          2HB       ASP  59   6.999 -11.686  -8.884
  407    H    LYS  60           H        LYS  60   6.030  -8.560 -11.163
  408    HA   LYS  60           HA       LYS  60   3.673  -8.494  -9.483
  409   1HB   LYS  60          2HB       LYS  60   4.106  -7.450 -12.298
  410   2HB   LYS  60          1HB       LYS  60   2.723  -7.128 -11.272
  411   1HG   LYS  60          1HG       LYS  60   3.854  -5.588  -9.997
  412   2HG   LYS  60          2HG       LYS  60   5.329  -6.534  -9.975
  413   1HD   LYS  60          1HD       LYS  60   4.437  -5.141 -12.523
  414   2HD   LYS  60          2HD       LYS  60   5.298  -4.251 -11.283
  415   1HE   LYS  60          1HE       LYS  60   7.115  -6.054 -11.373
  416   2HE   LYS  60          2HE       LYS  60   6.286  -6.735 -12.758
  417   1HZ   LYS  60          1HZ       LYS  60   6.444  -4.325 -13.618
  418   2HZ   LYS  60          2HZ       LYS  60   7.665  -4.187 -12.541
  419   3HZ   LYS  60          3HZ       LYS  60   7.744  -5.308 -13.726
  420    H    ALA  61           H        ALA  61   4.426 -11.117  -9.856
  421    HA   ALA  61           HA       ALA  61   2.130 -12.267 -10.851
  422   1HB   ALA  61          1HB       ALA  61   4.119 -13.115 -12.832
  423   2HB   ALA  61          3HB       ALA  61   2.425 -12.618 -13.059
  424   3HB   ALA  61          2HB       ALA  61   3.710 -11.389 -12.975
  425    H    ASP  62           H        ASP  62   3.229 -12.717  -8.526
  426    HA   ASP  62           HA       ASP  62   4.875 -15.095  -8.894
  427   1HB   ASP  62          1HB       ASP  62   5.803 -13.090  -7.560
  428   2HB   ASP  62          2HB       ASP  62   4.577 -13.431  -6.354
  429    H    LYS  63           H        LYS  63   4.533 -16.556  -6.680
  430    HA   LYS  63           HA       LYS  63   1.676 -16.568  -6.041
  431   1HB   LYS  63          1HB       LYS  63   2.664 -18.292  -7.884
  432   2HB   LYS  63          2HB       LYS  63   2.967 -19.214  -6.425
  433   1HG   LYS  63          1HG       LYS  63   0.426 -18.371  -5.890
  434   2HG   LYS  63          2HG       LYS  63   0.355 -18.382  -7.641
  435   1HD   LYS  63          1HD       LYS  63   1.391 -20.773  -7.491
  436   2HD   LYS  63          2HD       LYS  63   0.988 -20.710  -5.786
  437   1HE   LYS  63          1HE       LYS  63  -1.417 -20.170  -6.449
  438   2HE   LYS  63          2HE       LYS  63  -0.964 -20.439  -8.120
  439   1HZ   LYS  63          1HZ       LYS  63  -0.665 -22.428  -5.978
  440   2HZ   LYS  63          2HZ       LYS  63  -1.879 -22.406  -7.070
  441   3HZ   LYS  63          3HZ       LYS  63  -0.344 -22.669  -7.561
  442    H    SER  64           H        SER  64   2.277 -15.549  -4.040
  443    HA   SER  64           HA       SER  64   2.780 -17.384  -2.028
  444   1HB   SER  64          2HB       SER  64   4.983 -16.590  -1.209
  445   2HB   SER  64          1HB       SER  64   5.113 -17.332  -2.792
  446    HG   SER  64           HG       SER  64   4.652 -14.532  -2.761
  447    H    VAL  65           H        VAL  65   2.922 -16.224   0.172
  448    HA   VAL  65           HA       VAL  65   1.253 -13.872   0.021
  449    HB   VAL  65           HB       VAL  65   0.638 -15.625   1.535
  450   1HG1  VAL  65          1HG1      VAL  65   3.502 -15.455   2.376
  451   2HG1  VAL  65          2HG1      VAL  65   2.291 -15.879   3.610
  452   3HG1  VAL  65          3HG1      VAL  65   2.457 -16.877   2.145
  453   1HG2  VAL  65          1HG2      VAL  65   0.845 -12.964   2.223
  454   2HG2  VAL  65          2HG2      VAL  65  -0.053 -14.202   3.133
  455   3HG2  VAL  65          3HG2      VAL  65   1.610 -13.780   3.608
  456    H    ASN  66           H        ASN  66   4.392 -14.208  -0.559
  457    HA   ASN  66           HA       ASN  66   5.221 -12.094   1.249
  458   1HB   ASN  66          1HB       ASN  66   6.870 -13.850  -0.646
  459   2HB   ASN  66          2HB       ASN  66   7.542 -12.670   0.462
  460   2HD2  ASN  66          2HD2      ASN  66   8.706 -14.101   1.651
  461   1HD2  ASN  66          1HD2      ASN  66   8.019 -15.283   2.714
  462    H    SER  67           H        SER  67   3.521 -12.121  -1.434
  463    HA   SER  67           HA       SER  67   5.201 -10.745  -3.259
  464   1HB   SER  67          1HB       SER  67   2.827 -10.306  -4.346
  465   2HB   SER  67          2HB       SER  67   3.530 -11.911  -4.380
  466    HG   SER  67           HG       SER  67   1.335 -12.018  -3.674
  467    H    TRP  68           H        TRP  68   5.419  -8.517  -3.552
  468    HA   TRP  68           HA       TRP  68   4.147  -6.866  -1.516
  469   1HB   TRP  68          1HB       TRP  68   6.435  -6.503  -1.530
  470   2HB   TRP  68          2HB       TRP  68   6.555  -6.592  -3.276
  471    HD1  TRP  68           HD1      TRP  68   6.781  -4.261  -4.436
  472    HE1  TRP  68           HE1      TRP  68   6.308  -1.724  -3.885
  473    HE3  TRP  68           HE3      TRP  68   4.576  -5.106   0.067
  474    HZ2  TRP  68           HZ2      TRP  68   5.092  -0.386  -1.678
  475    HZ3  TRP  68           HZ3      TRP  68   3.774  -3.129   1.357
  476    HH2  TRP  68           HH2      TRP  68   4.002  -0.833   0.552
  477    H    TYR  69           H        TYR  69   3.047  -8.135  -4.136
  478    HA   TYR  69           HA       TYR  69   1.897  -5.608  -5.226
  479   1HB   TYR  69          1HB       TYR  69   3.351  -6.496  -6.898
  480   2HB   TYR  69          2HB       TYR  69   2.768  -8.147  -6.628
  481    HD1  TYR  69           HD1      TYR  69   0.440  -8.771  -7.333
  482    HD2  TYR  69           HD2      TYR  69   2.235  -5.014  -8.389
  483    HE1  TYR  69           HE1      TYR  69  -1.248  -8.468  -9.124
  484    HE2  TYR  69           HE2      TYR  69   0.547  -4.711 -10.180
  485    HH   TYR  69           HH       TYR  69  -2.133  -5.863 -10.479
  486    H    LYS  70           H        LYS  70   1.283  -8.344  -3.356
  487    HA   LYS  70           HA       LYS  70  -1.444  -8.555  -4.420
  488   1HB   LYS  70          1HB       LYS  70   0.070 -10.616  -4.298
  489   2HB   LYS  70          2HB       LYS  70  -0.082 -10.508  -2.556
  490   1HG   LYS  70          1HG       LYS  70  -2.717 -10.297  -3.231
  491   2HG   LYS  70          2HG       LYS  70  -2.152 -11.227  -4.605
  492   1HD   LYS  70          1HD       LYS  70  -1.349 -12.068  -1.806
  493   2HD   LYS  70          2HD       LYS  70  -2.950 -12.466  -2.398
  494   1HE   LYS  70          1HE       LYS  70  -0.280 -13.280  -3.631
  495   2HE   LYS  70          2HE       LYS  70  -1.472 -14.338  -2.903
  496   1HZ   LYS  70          1HZ       LYS  70  -2.998 -13.372  -4.692
  497   2HZ   LYS  70          2HZ       LYS  70  -1.621 -12.926  -5.448
  498   3HZ   LYS  70          3HZ       LYS  70  -1.903 -14.502  -5.129
  499    H    VAL  71           H        VAL  71   0.594  -7.908  -1.549
  500    HA   VAL  71           HA       VAL  71  -1.635  -7.673   0.208
  501    HB   VAL  71           HB       VAL  71   0.062  -6.750   1.750
  502   1HG1  VAL  71          1HG1      VAL  71  -0.337  -9.275   1.190
  503   2HG1  VAL  71          2HG1      VAL  71   1.286  -9.179   0.464
  504   3HG1  VAL  71          3HG1      VAL  71   1.058  -8.800   2.188
  505   1HG2  VAL  71          1HG2      VAL  71   1.483  -6.244  -0.689
  506   2HG2  VAL  71          2HG2      VAL  71   1.906  -5.770   0.974
  507   3HG2  VAL  71          3HG2      VAL  71   2.456  -7.335   0.327
  508    H    VAL  72           H        VAL  72  -0.720  -5.868  -2.438
  509    HA   VAL  72           HA       VAL  72  -1.511  -3.341  -1.178
  510    HB   VAL  72           HB       VAL  72  -0.028  -3.984  -3.730
  511   1HG1  VAL  72          1HG1      VAL  72  -1.268  -1.418  -2.763
  512   2HG1  VAL  72          2HG1      VAL  72   0.232  -1.379  -3.721
  513   3HG1  VAL  72          3HG1      VAL  72  -1.238  -2.120  -4.398
  514   1HG2  VAL  72          1HG2      VAL  72   1.278  -4.151  -1.635
  515   2HG2  VAL  72          2HG2      VAL  72   1.836  -2.819  -2.675
  516   3HG2  VAL  72          3HG2      VAL  72   0.839  -2.471  -1.242
  517    H    HIS  73           H        HIS  73  -2.000  -5.333  -4.178
  518    HA   HIS  73           HA       HIS  73  -4.513  -3.940  -4.580
  519   1HB   HIS  73          2HB       HIS  73  -3.167  -6.010  -6.334
  520   2HB   HIS  73          1HB       HIS  73  -4.525  -4.990  -6.766
  521    HD1  HIS  73           HD1      HIS  73  -0.789  -4.876  -6.207
  522    HD2  HIS  73           HD2      HIS  73  -3.876  -2.359  -7.521
  523    HE1  HIS  73           HE1      HIS  73   0.343  -2.825  -7.218
  524    H    ASP  74           H        ASP  74  -3.984  -5.867  -2.302
  525    HA   ASP  74           HA       ASP  74  -5.283  -8.261  -2.937
  526   1HB   ASP  74          1HB       ASP  74  -3.881  -7.201  -0.757
  527   2HB   ASP  74          2HB       ASP  74  -5.510  -7.346  -0.129
  528    H    ALA  75           H        ALA  75  -7.512  -8.852  -2.602
  529    HA   ALA  75           HA       ALA  75  -9.275  -6.669  -1.735
  530   1HB   ALA  75          1HB       ALA  75  -9.309  -8.323  -4.246
  531   2HB   ALA  75          3HB       ALA  75 -10.860  -7.832  -3.522
  532   3HB   ALA  75          2HB       ALA  75  -9.677  -6.597  -4.017
  533    H    LYS  76           H        LYS  76  -7.977  -9.190  -0.498
  534    HA   LYS  76           HA       LYS  76 -10.520 -10.383   0.354
  535   1HB   LYS  76          1HB       LYS  76  -8.990 -11.800  -1.199
  536   2HB   LYS  76          2HB       LYS  76  -7.957 -11.962   0.207
  537   1HG   LYS  76          1HG       LYS  76 -10.141 -12.666   1.478
  538   2HG   LYS  76          2HG       LYS  76 -10.839 -12.876  -0.115
  539   1HD   LYS  76          1HD       LYS  76  -9.576 -14.750  -0.579
  540   2HD   LYS  76          2HD       LYS  76  -8.154 -14.126   0.234
  541   1HE   LYS  76          1HE       LYS  76  -8.863 -15.953   1.595
  542   2HE   LYS  76          2HE       LYS  76  -9.410 -14.530   2.459
  543   1HZ   LYS  76          1HZ       LYS  76 -11.135 -15.948   0.562
  544   2HZ   LYS  76          2HZ       LYS  76 -11.068 -16.346   2.144
  545   3HZ   LYS  76          3HZ       LYS  76 -11.576 -14.859   1.696
  546    H    GLY  77           H        GLY  77 -10.552 -11.128   2.598
  547   1HA   GLY  77          2HA       GLY  77 -10.298  -9.946   4.675
  548   2HA   GLY  77          1HA       GLY  77  -8.636  -9.594   4.246
  549    H    GLY  78           H        GLY  78  -8.893 -10.703   6.675
  550   1HA   GLY  78          2HA       GLY  78  -8.144 -13.535   6.260
  551   2HA   GLY  78          1HA       GLY  78  -9.139 -13.003   7.600
  552    H    ALA  79           H        ALA  79  -7.786 -10.488   8.167
  553    HA   ALA  79           HA       ALA  79  -6.051 -11.100  10.072
  554   1HB   ALA  79          1HB       ALA  79  -3.812 -10.596   8.622
  555   2HB   ALA  79          3HB       ALA  79  -4.764 -11.490   7.413
  556   3HB   ALA  79          2HB       ALA  79  -4.394 -12.239   8.984
  557    H    LYS  80           H        LYS  80  -5.970  -9.086   7.048
  558    HA   LYS  80           HA       LYS  80  -6.668  -6.758   8.496
  559   1HB   LYS  80          1HB       LYS  80  -4.371  -5.645   7.741
  560   2HB   LYS  80          2HB       LYS  80  -4.588  -6.374   9.319
  561   1HG   LYS  80          1HG       LYS  80  -3.711  -8.568   8.312
  562   2HG   LYS  80          2HG       LYS  80  -3.302  -7.661   6.870
  563   1HD   LYS  80          2HD       LYS  80  -2.185  -7.278   9.679
  564   2HD   LYS  80          1HD       LYS  80  -1.307  -7.754   8.239
  565   1HE   LYS  80          2HE       LYS  80  -0.756  -5.500   8.262
  566   2HE   LYS  80          1HE       LYS  80  -2.224  -5.406   7.309
  567   1HZ   LYS  80          1HZ       LYS  80  -2.233  -5.143  10.229
  568   2HZ   LYS  80          2HZ       LYS  80  -2.077  -3.862   9.229
  569   3HZ   LYS  80          3HZ       LYS  80  -3.436  -4.767   9.192
  570    HA   PRO  81           HA       PRO  81  -7.811  -5.595   4.438
  571   1HB   PRO  81          1HB       PRO  81  -7.898  -2.864   4.673
  572   2HB   PRO  81          2HB       PRO  81  -9.028  -3.947   5.548
  573   1HG   PRO  81          1HG       PRO  81  -6.678  -2.654   6.363
  574   2HG   PRO  81          2HG       PRO  81  -8.130  -2.757   7.411
  575   1HD   PRO  81          1HD       PRO  81  -5.913  -4.336   7.799
  576   2HD   PRO  81          2HD       PRO  81  -7.566  -4.957   8.092
  577    H    THR  82           H        THR  82  -7.094  -3.527   2.775
  578    HA   THR  82           HA       THR  82  -4.177  -3.381   2.817
  579    HB   THR  82           HB       THR  82  -4.192  -4.123   0.381
  580    HG1  THR  82           HG1      THR  82  -6.370  -5.411   0.089
  581   1HG2  THR  82          1HG2      THR  82  -4.275  -5.767   2.653
  582   2HG2  THR  82          2HG2      THR  82  -5.573  -6.426   1.629
  583   3HG2  THR  82          3HG2      THR  82  -3.912  -6.318   0.999
  584    H    CYS  83           H        CYS  83  -3.835  -2.191   0.305
  585    HA   CYS  83           HA       CYS  83  -4.762   0.419   0.954
  586   1HB   CYS  83          1HB       CYS  83  -3.406  -0.321  -1.624
  587   2HB   CYS  83          2HB       CYS  83  -3.359   1.196  -0.748
  588    H    ILE  84           H        ILE  84  -6.215  -2.259  -0.450
  589    HA   ILE  84           HA       ILE  84  -7.831  -0.589  -2.247
  590    HB   ILE  84           HB       ILE  84  -6.893  -3.421  -2.388
  591   1HG1  ILE  84          1HG1      ILE  84  -5.722  -1.610  -3.606
  592   2HG1  ILE  84          2HG1      ILE  84  -6.373  -2.846  -4.664
  593   1HG2  ILE  84          1HG2      ILE  84  -9.505  -2.378  -3.489
  594   2HG2  ILE  84          2HG2      ILE  84  -8.646  -3.764  -4.203
  595   3HG2  ILE  84          3HG2      ILE  84  -9.207  -3.838  -2.515
  596   1HD1  ILE  84          1HD1      ILE  84  -8.435  -0.882  -4.314
  597   2HD1  ILE  84          2HD1      ILE  84  -6.921  -0.016  -4.670
  598   3HD1  ILE  84          3HD1      ILE  84  -7.520  -1.260  -5.794
  599    H    SER  85           H        SER  85  -7.844  -3.177   0.266
  600    HA   SER  85           HA       SER  85 -10.536  -3.541   0.416
  601   1HB   SER  85          1HB       SER  85  -8.380  -4.525   1.748
  602   2HB   SER  85          2HB       SER  85  -9.015  -3.474   2.998
  603    HG   SER  85           HG       SER  85  -9.872  -5.924   2.360
  604    H    CYS  86           H        CYS  86  -8.527  -1.369   2.550
  605    HA   CYS  86           HA       CYS  86 -10.693  -0.153   3.772
  606   1HB   CYS  86          1HB       CYS  86  -8.243  -0.118   4.483
  607   2HB   CYS  86          2HB       CYS  86  -8.003   1.160   3.308
  608    H    HIS  87           H        HIS  87  -8.554   1.026   1.064
  609    HA   HIS  87           HA       HIS  87  -9.837   3.337   0.495
  610   1HB   HIS  87          1HB       HIS  87  -8.322   1.352  -1.164
  611   2HB   HIS  87          2HB       HIS  87  -9.113   2.693  -1.967
  612    HD1  HIS  87           HD1      HIS  87  -6.979   3.957  -2.607
  613    HD2  HIS  87           HD2      HIS  87  -7.279   3.176   1.503
  614    HE1  HIS  87           HE1      HIS  87  -5.125   5.305  -1.486
  615    H    LYS  88           H        LYS  88 -10.785  -0.007  -0.396
  616    HA   LYS  88           HA       LYS  88 -12.796   0.677  -2.199
  617   1HB   LYS  88          1HB       LYS  88 -12.036  -1.719  -0.601
  618   2HB   LYS  88          2HB       LYS  88 -13.676  -1.670  -1.216
  619   1HG   LYS  88          1HG       LYS  88 -12.805  -1.235  -3.519
  620   2HG   LYS  88          2HG       LYS  88 -11.163  -1.267  -2.908
  621   1HD   LYS  88          2HD       LYS  88 -11.179  -3.499  -3.340
  622   2HD   LYS  88          1HD       LYS  88 -12.209  -3.665  -1.932
  623   1HE   LYS  88          1HE       LYS  88 -13.561  -4.689  -3.528
  624   2HE   LYS  88          2HE       LYS  88 -14.155  -3.045  -3.654
  625   1HZ   LYS  88          1HZ       LYS  88 -12.097  -3.016  -5.339
  626   2HZ   LYS  88          2HZ       LYS  88 -12.611  -4.555  -5.525
  627   3HZ   LYS  88          3HZ       LYS  88 -13.640  -3.314  -5.785
  628    H    ASP  89           H        ASP  89 -12.862   0.143   1.380
  629    HA   ASP  89           HA       ASP  89 -15.553   0.410   1.711
  630   1HB   ASP  89          1HB       ASP  89 -13.511  -0.047   3.381
  631   2HB   ASP  89          2HB       ASP  89 -13.642   1.673   3.688
  632    H    LYS  90           H        LYS  90 -12.925   2.868   1.444
  633    HA   LYS  90           HA       LYS  90 -14.476   5.092   2.158
  634   1HB   LYS  90          1HB       LYS  90 -11.814   4.561   0.994
  635   2HB   LYS  90          2HB       LYS  90 -12.518   6.096   0.526
  636   1HG   LYS  90          2HG       LYS  90 -12.129   5.088   3.383
  637   2HG   LYS  90          1HG       LYS  90 -11.214   6.362   2.603
  638   1HD   LYS  90          1HD       LYS  90 -13.747   7.329   2.228
  639   2HD   LYS  90          2HD       LYS  90 -13.997   6.425   3.709
  640   1HE   LYS  90          1HE       LYS  90 -12.080   7.637   4.773
  641   2HE   LYS  90          2HE       LYS  90 -11.826   8.538   3.292
  642   1HZ   LYS  90          1HZ       LYS  90 -14.451   8.558   4.560
  643   2HZ   LYS  90          2HZ       LYS  90 -13.269   9.533   5.123
  644   3HZ   LYS  90          3HZ       LYS  90 -13.778   9.676   3.578
  645    H    ALA  91           H        ALA  91 -13.776   3.480  -0.992
  646    HA   ALA  91           HA       ALA  91 -15.540   5.377  -2.318
  647   1HB   ALA  91          1HB       ALA  91 -14.248   3.063  -3.720
  648   2HB   ALA  91          3HB       ALA  91 -14.482   4.741  -4.265
  649   3HB   ALA  91          2HB       ALA  91 -13.192   4.356  -3.101
  650    H    GLY  92           H        GLY  92 -16.487   3.390  -0.244
  651   1HA   GLY  92          2HA       GLY  92 -18.032   1.751   0.014
  652   2HA   GLY  92          1HA       GLY  92 -17.867   1.320  -1.677
  653    H    ASP  93           H        ASP  93 -19.497   1.864  -3.084
  654    HA   ASP  93           HA       ASP  93 -21.623   2.390  -3.474
  655   1HB   ASP  93          1HB       ASP  93 -21.795   2.847  -0.869
  656   2HB   ASP  93          2HB       ASP  93 -21.646   4.532  -1.326
  657    H    ASP  94           H        ASP  94 -18.918   4.518  -2.900
  658    HA   ASP  94           HA       ASP  94 -20.094   6.660  -4.432
  659   1HB   ASP  94          1HB       ASP  94 -18.607   6.945  -2.321
  660   2HB   ASP  94          2HB       ASP  94 -17.255   6.486  -3.337
  661    H    LYS  95           H        LYS  95 -19.917   6.467  -6.671
  662    HA   LYS  95           HA       LYS  95 -17.979   4.701  -7.811
  663   1HB   LYS  95          1HB       LYS  95 -20.449   5.334  -8.549
  664   2HB   LYS  95          2HB       LYS  95 -19.626   6.595  -9.445
  665   1HG   LYS  95          1HG       LYS  95 -18.019   4.497 -10.103
  666   2HG   LYS  95          2HG       LYS  95 -19.504   3.616  -9.805
  667   1HD   LYS  95          1HD       LYS  95 -19.885   6.080 -11.422
  668   2HD   LYS  95          2HD       LYS  95 -18.850   4.891 -12.187
  669   1HE   LYS  95          1HE       LYS  95 -20.777   3.880 -12.868
  670   2HE   LYS  95          2HE       LYS  95 -20.913   3.297 -11.222
  671   1HZ   LYS  95          1HZ       LYS  95 -21.998   5.584 -10.846
  672   2HZ   LYS  95          2HZ       LYS  95 -22.246   5.565 -12.460
  673   3HZ   LYS  95          3HZ       LYS  95 -22.874   4.383 -11.523
  674    H    GLU  96           H        GLU  96 -18.411   8.231  -7.378
  675    HA   GLU  96           HA       GLU  96 -16.355   8.957  -9.110
  676   1HB   GLU  96          1HB       GLU  96 -18.102  10.524  -8.326
  677   2HB   GLU  96          2HB       GLU  96 -17.503  10.408  -6.684
  678   1HG   GLU  96          1HG       GLU  96 -15.194  11.162  -7.761
  679   2HG   GLU  96          2HG       GLU  96 -16.199  11.722  -9.083
  680    H    LEU  97           H        LEU  97 -16.456   8.022  -5.654
  681    HA   LEU  97           HA       LEU  97 -13.719   8.758  -5.224
  682   1HB   LEU  97          1HB       LEU  97 -15.722   8.694  -3.568
  683   2HB   LEU  97          2HB       LEU  97 -15.350   6.986  -3.436
  684    HG   LEU  97           HG       LEU  97 -14.277   8.077  -1.626
  685   1HD1  LEU  97          1HD1      LEU  97 -12.973   6.343  -2.975
  686   2HD1  LEU  97          2HD1      LEU  97 -12.026   7.713  -3.603
  687   3HD1  LEU  97          3HD1      LEU  97 -12.049   7.374  -1.856
  688   1HD2  LEU  97          1HD2      LEU  97 -13.286  10.058  -3.677
  689   2HD2  LEU  97          2HD2      LEU  97 -14.277  10.352  -2.228
  690   3HD2  LEU  97          3HD2      LEU  97 -12.562   9.908  -2.058
  691    H    LYS  98           H        LYS  98 -15.401   6.141  -6.704
  692    HA   LYS  98           HA       LYS  98 -13.352   4.201  -6.066
  693   1HB   LYS  98          1HB       LYS  98 -15.820   3.668  -6.224
  694   2HB   LYS  98          2HB       LYS  98 -15.706   3.929  -7.953
  695   1HG   LYS  98          1HG       LYS  98 -13.523   2.226  -7.340
  696   2HG   LYS  98          2HG       LYS  98 -14.848   1.614  -6.370
  697   1HD   LYS  98          1HD       LYS  98 -15.035   2.181  -9.367
  698   2HD   LYS  98          2HD       LYS  98 -14.726   0.598  -8.683
  699   1HE   LYS  98          1HE       LYS  98 -16.897   0.434  -7.732
  700   2HE   LYS  98          2HE       LYS  98 -17.153   2.167  -7.766
  701   1HZ   LYS  98          1HZ       LYS  98 -16.728   1.426 -10.362
  702   2HZ   LYS  98          2HZ       LYS  98 -17.716   0.275  -9.757
  703   3HZ   LYS  98          3HZ       LYS  98 -18.153   1.847  -9.685
  704    H    LYS  99           H        LYS  99 -12.750   6.795  -7.518
  705    HA   LYS  99           HA       LYS  99 -11.314   5.522  -9.700
  706   1HB   LYS  99          1HB       LYS  99 -13.457   7.581 -10.033
  707   2HB   LYS  99          2HB       LYS  99 -12.028   7.716 -11.039
  708   1HG   LYS  99          1HG       LYS  99 -12.927   4.934 -10.927
  709   2HG   LYS  99          2HG       LYS  99 -14.244   5.977 -11.426
  710   1HD   LYS  99          1HD       LYS  99 -12.165   7.011 -12.926
  711   2HD   LYS  99          2HD       LYS  99 -11.703   5.322 -12.842
  712   1HE   LYS  99          1HE       LYS  99 -14.575   5.996 -13.510
  713   2HE   LYS  99          2HE       LYS  99 -13.358   6.207 -14.753
  714   1HZ   LYS  99          1HZ       LYS  99 -12.900   3.764 -13.549
  715   2HZ   LYS  99          2HZ       LYS  99 -14.502   3.840 -13.859
  716   3HZ   LYS  99          3HZ       LYS  99 -13.425   4.047 -15.069
  717    H    LYS 100           H        LYS 100 -10.231   6.133  -7.260
  718    HA   LYS 100           HA       LYS 100  -8.248   7.998  -7.996
  719   1HB   LYS 100          1HB       LYS 100  -8.835   9.465  -5.859
  720   2HB   LYS 100          2HB       LYS 100  -9.450   9.849  -7.454
  721   1HG   LYS 100          1HG       LYS 100 -11.509   8.406  -6.873
  722   2HG   LYS 100          2HG       LYS 100 -10.911   8.365  -5.226
  723   1HD   LYS 100          1HD       LYS 100 -11.269  11.012  -6.677
  724   2HD   LYS 100          2HD       LYS 100 -12.630  10.232  -5.898
  725   1HE   LYS 100          1HE       LYS 100 -11.297  10.158  -3.743
  726   2HE   LYS 100          2HE       LYS 100 -10.017  11.049  -4.541
  727   1HZ   LYS 100          1HZ       LYS 100 -12.691  12.149  -4.682
  728   2HZ   LYS 100          2HZ       LYS 100 -11.913  12.248  -3.250
  729   3HZ   LYS 100          3HZ       LYS 100 -11.255  12.919  -4.585
  730    H    LEU 101           H        LEU 101  -9.990   6.308  -5.322
  731    HA   LEU 101           HA       LEU 101  -7.439   5.849  -4.006
  732   1HB   LEU 101          1HB       LEU 101 -10.261   5.166  -3.172
  733   2HB   LEU 101          2HB       LEU 101  -8.822   4.927  -2.202
  734    HG   LEU 101           HG       LEU 101 -10.203   7.489  -2.949
  735   1HD1  LEU 101          1HD1      LEU 101 -10.521   6.039  -0.780
  736   2HD1  LEU 101          2HD1      LEU 101  -9.020   6.851  -0.273
  737   3HD1  LEU 101          3HD1      LEU 101 -10.456   7.816  -0.691
  738   1HD2  LEU 101          1HD2      LEU 101  -7.301   7.216  -2.132
  739   2HD2  LEU 101          2HD2      LEU 101  -7.958   7.970  -3.604
  740   3HD2  LEU 101          3HD2      LEU 101  -8.234   8.728  -2.017
  741    H    THR 102           H        THR 102  -9.923   4.226  -5.962
  742    HA   THR 102           HA       THR 102  -8.256   1.798  -5.855
  743    HB   THR 102           HB       THR 102 -10.288   0.482  -5.874
  744    HG1  THR 102           HG1      THR 102 -11.606   1.669  -7.299
  745   1HG2  THR 102          1HG2      THR 102  -9.815   1.719  -3.642
  746   2HG2  THR 102          2HG2      THR 102 -11.058   2.887  -4.154
  747   3HG2  THR 102          3HG2      THR 102 -11.493   1.180  -3.897
  748    H    GLY 103           H        GLY 103  -8.861   4.427  -7.665
  749   1HA   GLY 103          2HA       GLY 103  -8.745   4.891  -9.860
  750   2HA   GLY 103          1HA       GLY 103  -9.706   3.455 -10.152
  751    H    CYS 104           H        CYS 104  -8.764   1.893 -11.387
  752    HA   CYS 104           HA       CYS 104  -6.214   0.919 -10.932
  753   1HB   CYS 104          1HB       CYS 104  -8.312   0.577 -12.978
  754   2HB   CYS 104          2HB       CYS 104  -6.685   0.230 -13.530
  755    H    LYS 105           H        LYS 105  -7.514   3.214 -13.431
  756    HA   LYS 105           HA       LYS 105  -4.754   4.147 -13.804
  757   1HB   LYS 105          1HB       LYS 105  -6.901   3.839 -15.924
  758   2HB   LYS 105          2HB       LYS 105  -5.338   4.591 -16.170
  759   1HG   LYS 105          1HG       LYS 105  -5.725   1.715 -15.215
  760   2HG   LYS 105          2HG       LYS 105  -5.427   2.165 -16.882
  761   1HD   LYS 105          1HD       LYS 105  -3.272   3.283 -16.140
  762   2HD   LYS 105          2HD       LYS 105  -3.560   2.681 -14.520
  763   1HE   LYS 105          1HE       LYS 105  -3.427   0.363 -15.269
  764   2HE   LYS 105          2HE       LYS 105  -3.427   0.845 -16.954
  765   1HZ   LYS 105          1HZ       LYS 105  -1.334   1.636 -15.052
  766   2HZ   LYS 105          2HZ       LYS 105  -1.220   0.338 -16.038
  767   3HZ   LYS 105          3HZ       LYS 105  -1.316   1.840 -16.673
  768    H    GLY 106           H        GLY 106  -4.427   6.346 -13.674
  769   1HA   GLY 106          2HA       GLY 106  -6.575   8.216 -13.962
  770   2HA   GLY 106          1HA       GLY 106  -4.923   8.546 -13.479
  771    H    SER 107           H        SER 107  -4.682   6.819 -11.207
  772    HA   SER 107           HA       SER 107  -6.726   7.962  -9.468
  773   1HB   SER 107          1HB       SER 107  -6.175   6.046  -7.916
  774   2HB   SER 107          2HB       SER 107  -6.894   5.553  -9.436
  775    HG   SER 107           HG       SER 107  -5.047   4.235  -8.873
  776    H    ALA 108           H        ALA 108  -5.740   7.997  -7.023
  777    HA   ALA 108           HA       ALA 108  -3.608   9.863  -7.151
  778   1HB   ALA 108          1HB       ALA 108  -4.604  10.432  -5.221
  779   2HB   ALA 108          3HB       ALA 108  -5.610   8.966  -5.290
  780   3HB   ALA 108          2HB       ALA 108  -4.022   8.918  -4.488
  781    H    CYS 109           H        CYS 109  -3.690   6.491  -7.400
  782    HA   CYS 109           HA       CYS 109  -1.125   6.194  -6.043
  783   1HB   CYS 109          1HB       CYS 109  -3.114   4.132  -7.041
  784   2HB   CYS 109          2HB       CYS 109  -1.533   3.730  -6.400
  785    H    HIS 110           H        HIS 110  -2.878   5.631  -9.166
  786    HA   HIS 110           HA       HIS 110  -0.250   5.580 -10.464
  787   1HB   HIS 110          1HB       HIS 110  -2.798   4.170 -11.308
  788   2HB   HIS 110          2HB       HIS 110  -1.303   4.191 -12.222
  789    HD1  HIS 110           HD1      HIS 110   0.828   3.497 -10.217
  790    HD2  HIS 110           HD2      HIS 110  -2.963   1.703 -10.169
  791    HE1  HIS 110           HE1      HIS 110   1.100   1.285  -8.975
  792    HA   PRO 111           HA       PRO 111  -2.355   9.245 -12.119
  793   1HB   PRO 111          1HB       PRO 111  -0.542  11.117 -11.436
  794   2HB   PRO 111          2HB       PRO 111  -1.590  10.370 -10.185
  795   1HG   PRO 111          1HG       PRO 111   1.030   9.716 -11.161
  796   2HG   PRO 111          2HG       PRO 111   0.948   9.713  -9.369
  797   1HD   PRO 111          1HD       PRO 111   0.948   7.385 -10.748
  798   2HD   PRO 111          2HD       PRO 111  -0.169   7.591  -9.365
  799    H    SER 112           H        SER 112  -1.707   7.768 -14.114
  800    HA   SER 112           HA       SER 112   0.025   9.378 -15.681
  801   1HB   SER 112          1HB       SER 112   1.266   7.275 -14.323
  802   2HB   SER 112          2HB       SER 112   0.932   6.574 -15.894
  803    HG   SER 112           HG       SER 112   2.242   8.044 -16.897

  No H/Q in entry =         803
  Start of MODEL   10
    1    H1   VAL   1           H1       VAL   1   8.835   9.129  17.699
    2    H2   VAL   1           H2       VAL   1   9.647   7.762  18.161
    3    H3   VAL   1           H3       VAL   1  10.452   8.978  17.377
    4    HA   VAL   1           HA       VAL   1  10.184   7.808  15.597
    5    HB   VAL   1           HB       VAL   1   9.344   5.988  17.186
    6   1HG1  VAL   1          1HG1      VAL   1   6.997   7.447  17.123
    7   2HG1  VAL   1          2HG1      VAL   1   6.657   6.099  16.010
    8   3HG1  VAL   1          3HG1      VAL   1   7.166   5.766  17.683
    9   1HG2  VAL   1          1HG2      VAL   1   8.841   6.220  14.247
   10   2HG2  VAL   1          2HG2      VAL   1   9.933   5.137  15.141
   11   3HG2  VAL   1          3HG2      VAL   1   8.185   4.804  15.102
   12    H    ASP   2           H        ASP   2   9.007  10.438  16.316
   13    HA   ASP   2           HA       ASP   2   6.549  10.982  15.622
   14   1HB   ASP   2          1HB       ASP   2   7.300  13.116  14.778
   15   2HB   ASP   2          2HB       ASP   2   8.436  12.628  16.020
   16    H    VAL   3           H        VAL   3   5.190  10.668  13.833
   17    HA   VAL   3           HA       VAL   3   5.938   9.060  11.722
   18    HB   VAL   3           HB       VAL   3   3.633   9.900  12.714
   19   1HG1  VAL   3          1HG1      VAL   3   3.928  12.225  11.903
   20   2HG1  VAL   3          2HG1      VAL   3   3.927  11.622  10.229
   21   3HG1  VAL   3          3HG1      VAL   3   2.471  11.447  11.238
   22   1HG2  VAL   3          1HG2      VAL   3   3.931   7.999  11.195
   23   2HG2  VAL   3          2HG2      VAL   3   2.512   8.969  10.731
   24   3HG2  VAL   3          3HG2      VAL   3   4.026   9.109   9.807
   25    HA   PRO   4           HA       PRO   4   8.780  11.576   9.460
   26   1HB   PRO   4          1HB       PRO   4   7.682   9.771   7.280
   27   2HB   PRO   4          2HB       PRO   4   9.373  10.190   7.707
   28   1HG   PRO   4          1HG       PRO   4   8.415   7.856   8.531
   29   2HG   PRO   4          2HG       PRO   4   9.560   8.773   9.564
   30   1HD   PRO   4          1HD       PRO   4   6.577   8.375   9.814
   31   2HD   PRO   4          2HD       PRO   4   7.788   8.701  11.090
   32    H    ALA   5           H        ALA   5   8.639  13.001   7.424
   33    HA   ALA   5           HA       ALA   5   6.035  14.233   7.406
   34   1HB   ALA   5          1HB       ALA   5   7.326  16.038   7.068
   35   2HB   ALA   5          3HB       ALA   5   7.828  15.381   5.492
   36   3HB   ALA   5          2HB       ALA   5   8.765  14.996   6.955
   37    H    ASP   6           H        ASP   6   4.745  14.567   5.485
   38    HA   ASP   6           HA       ASP   6   4.350  12.325   4.017
   39   1HB   ASP   6          1HB       ASP   6   2.797  13.598   2.767
   40   2HB   ASP   6          2HB       ASP   6   2.895  14.464   4.288
   41    H    GLY   7           H        GLY   7   4.271  12.917   1.273
   42   1HA   GLY   7          2HA       GLY   7   6.690  14.095   0.312
   43   2HA   GLY   7          1HA       GLY   7   5.492  13.205  -0.607
   44    H    ALA   8           H        ALA   8   5.461  10.714   0.769
   45    HA   ALA   8           HA       ALA   8   8.249   9.826   0.585
   46   1HB   ALA   8          1HB       ALA   8   5.856   9.051   2.179
   47   2HB   ALA   8          2HB       ALA   8   7.582   9.012   2.612
   48   3HB   ALA   8          3HB       ALA   8   6.885   7.712   1.616
   49    H    LYS   9           H        LYS   9   8.583   9.517  -1.616
   50    HA   LYS   9           HA       LYS   9   6.577   8.369  -3.264
   51   1HB   LYS   9          1HB       LYS   9   8.014   8.789  -5.001
   52   2HB   LYS   9          2HB       LYS   9   8.582   9.961  -3.830
   53   1HG   LYS   9          2HG       LYS   9  10.639   9.015  -3.882
   54   2HG   LYS   9          1HG       LYS   9   9.967   7.522  -3.257
   55   1HD   LYS   9          2HD       LYS   9  10.391   6.526  -5.247
   56   2HD   LYS   9          1HD       LYS   9   9.229   7.594  -6.008
   57   1HE   LYS   9          1HE       LYS   9  11.047   9.330  -6.273
   58   2HE   LYS   9          2HE       LYS   9  12.197   8.197  -5.591
   59   1HZ   LYS   9          1HZ       LYS   9  11.618   6.673  -7.392
   60   2HZ   LYS   9          2HZ       LYS   9  10.637   7.801  -8.049
   61   3HZ   LYS   9          3HZ       LYS   9  12.244   8.075  -7.950
   62    H    ILE  10           H        ILE  10   6.478   6.261  -4.172
   63    HA   ILE  10           HA       ILE  10   8.177   4.301  -2.798
   64    HB   ILE  10           HB       ILE  10   5.247   3.948  -3.429
   65   1HG1  ILE  10          1HG1      ILE  10   6.397   4.347  -0.667
   66   2HG1  ILE  10          2HG1      ILE  10   5.859   5.705  -1.636
   67   1HG2  ILE  10          1HG2      ILE  10   7.398   2.191  -2.410
   68   2HG2  ILE  10          2HG2      ILE  10   5.845   2.106  -1.543
   69   3HG2  ILE  10          3HG2      ILE  10   5.905   1.798  -3.296
   70   1HD1  ILE  10          1HD1      ILE  10   4.073   3.286  -1.174
   71   2HD1  ILE  10          2HD1      ILE  10   4.127   4.650  -0.032
   72   3HD1  ILE  10          3HD1      ILE  10   3.602   4.917  -1.712
   73    H    ASP  11           H        ASP  11   9.294   2.998  -4.156
   74    HA   ASP  11           HA       ASP  11   8.153   2.198  -6.612
   75   1HB   ASP  11          1HB       ASP  11   8.885   4.260  -7.533
   76   2HB   ASP  11          2HB       ASP  11  10.326   4.305  -6.538
   77    H    PHE  12           H        PHE  12   8.666   0.073  -5.792
   78    HA   PHE  12           HA       PHE  12  11.535  -0.435  -5.429
   79   1HB   PHE  12          1HB       PHE  12   9.011  -1.862  -4.392
   80   2HB   PHE  12          2HB       PHE  12  10.646  -2.387  -4.042
   81    HD1  PHE  12           HD1      PHE  12  12.044   0.059  -3.362
   82    HD2  PHE  12           HD2      PHE  12   8.073  -1.108  -2.423
   83    HE1  PHE  12           HE1      PHE  12  12.086   1.543  -1.337
   84    HE2  PHE  12           HE2      PHE  12   8.116   0.375  -0.398
   85    HZ   PHE  12           HZ       PHE  12  10.122   1.683   0.120
   86    H    ILE  13           H        ILE  13   8.538  -1.275  -7.120
   87    HA   ILE  13           HA       ILE  13   9.853  -3.571  -8.350
   88    HB   ILE  13           HB       ILE  13   6.997  -2.604  -8.317
   89   1HG1  ILE  13          1HG1      ILE  13   7.997  -5.261  -7.324
   90   2HG1  ILE  13          2HG1      ILE  13   8.160  -3.835  -6.318
   91   1HG2  ILE  13          1HG2      ILE  13   8.367  -4.477 -10.144
   92   2HG2  ILE  13          2HG2      ILE  13   6.856  -5.077  -9.419
   93   3HG2  ILE  13          3HG2      ILE  13   6.856  -3.559 -10.348
   94   1HD1  ILE  13          1HD1      ILE  13   5.495  -4.472  -7.618
   95   2HD1  ILE  13          2HD1      ILE  13   5.983  -5.280  -6.109
   96   3HD1  ILE  13          3HD1      ILE  13   5.823  -3.507  -6.159
   97    H    ALA  14           H        ALA  14  11.332  -2.737  -9.809
   98    HA   ALA  14           HA       ALA  14  10.861  -0.461 -11.364
   99   1HB   ALA  14          1HB       ALA  14  12.645  -2.503 -12.523
  100   2HB   ALA  14          2HB       ALA  14  13.000  -0.838 -12.003
  101   3HB   ALA  14          3HB       ALA  14  12.977  -2.157 -10.809
  102    H    GLY  15           H        GLY  15  11.001  -0.697 -13.934
  103   1HA   GLY  15          2HA       GLY  15   8.683  -1.232 -15.036
  104   2HA   GLY  15          1HA       GLY  15   9.284  -2.871 -14.882
  105    H    GLY  16           H        GLY  16  11.870  -2.928 -15.536
  106   1HA   GLY  16          2HA       GLY  16  11.900  -2.489 -18.328
  107   2HA   GLY  16          1HA       GLY  16  13.243  -2.987 -17.319
  108    H    GLU  17           H        GLU  17  11.544  -0.248 -18.797
  109    HA   GLU  17           HA       GLU  17  13.900   1.349 -18.223
  110   1HB   GLU  17          1HB       GLU  17  12.130   1.026 -20.531
  111   2HB   GLU  17          2HB       GLU  17  12.273   2.716 -20.090
  112   1HG   GLU  17          1HG       GLU  17  14.041   1.826 -21.730
  113   2HG   GLU  17          2HG       GLU  17  14.654   2.708 -20.345
  114    H    LYS  18           H        LYS  18  10.277   1.506 -18.274
  115    HA   LYS  18           HA       LYS  18  10.343   4.015 -16.849
  116   1HB   LYS  18          1HB       LYS  18   7.949   4.004 -17.134
  117   2HB   LYS  18          2HB       LYS  18   8.713   3.602 -18.658
  118   1HG   LYS  18          1HG       LYS  18   8.409   1.101 -17.901
  119   2HG   LYS  18          2HG       LYS  18   7.273   1.745 -16.733
  120   1HD   LYS  18          1HD       LYS  18   7.087   2.377 -19.711
  121   2HD   LYS  18          2HD       LYS  18   6.289   0.991 -18.994
  122   1HE   LYS  18          1HE       LYS  18   5.877   3.845 -17.991
  123   2HE   LYS  18          2HE       LYS  18   4.853   3.105 -19.205
  124   1HZ   LYS  18          1HZ       LYS  18   5.287   1.590 -16.786
  125   2HZ   LYS  18          2HZ       LYS  18   4.357   2.926 -16.652
  126   3HZ   LYS  18          3HZ       LYS  18   3.937   1.740 -17.693
  127    H    ASN  19           H        ASN  19   8.122   3.695 -15.124
  128    HA   ASN  19           HA       ASN  19   8.172   1.485 -13.538
  129   1HB   ASN  19          1HB       ASN  19   9.506   2.361 -11.547
  130   2HB   ASN  19          2HB       ASN  19  10.491   1.927 -12.929
  131   2HD2  ASN  19          2HD2      ASN  19  11.728   3.470 -11.292
  132   1HD2  ASN  19          1HD2      ASN  19  11.819   5.126 -11.793
  133    H    LEU  20           H        LEU  20   6.339   1.739 -12.212
  134    HA   LEU  20           HA       LEU  20   5.059   4.300 -12.224
  135   1HB   LEU  20          1HB       LEU  20   4.327   1.610 -11.072
  136   2HB   LEU  20          2HB       LEU  20   3.319   3.034 -10.908
  137    HG   LEU  20           HG       LEU  20   4.059   1.576 -13.452
  138   1HD1  LEU  20          1HD1      LEU  20   1.597   1.849 -11.781
  139   2HD1  LEU  20          2HD1      LEU  20   1.418   1.702 -13.546
  140   3HD1  LEU  20          3HD1      LEU  20   2.261   0.431 -12.629
  141   1HD2  LEU  20          1HD2      LEU  20   2.991   4.349 -13.073
  142   2HD2  LEU  20          2HD2      LEU  20   4.156   3.723 -14.263
  143   3HD2  LEU  20          3HD2      LEU  20   2.421   3.371 -14.446
  144    H    THR  21           H        THR  21   4.962   5.808 -10.605
  145    HA   THR  21           HA       THR  21   6.305   5.070  -8.087
  146    HB   THR  21           HB       THR  21   6.275   7.898  -9.158
  147    HG1  THR  21           HG1      THR  21   8.110   5.729  -9.887
  148   1HG2  THR  21          1HG2      THR  21   8.210   6.115  -7.604
  149   2HG2  THR  21          2HG2      THR  21   8.711   7.673  -8.305
  150   3HG2  THR  21          3HG2      THR  21   7.445   7.626  -7.056
  151    H    VAL  22           H        VAL  22   4.897   4.897  -6.468
  152    HA   VAL  22           HA       VAL  22   2.481   6.541  -6.624
  153    HB   VAL  22           HB       VAL  22   3.195   4.035  -5.097
  154   1HG1  VAL  22          1HG1      VAL  22   1.337   6.066  -4.346
  155   2HG1  VAL  22          2HG1      VAL  22   0.410   4.650  -4.894
  156   3HG1  VAL  22          3HG1      VAL  22   1.612   4.477  -3.593
  157   1HG2  VAL  22          1HG2      VAL  22   2.245   4.390  -7.687
  158   2HG2  VAL  22          2HG2      VAL  22   2.159   2.895  -6.723
  159   3HG2  VAL  22          3HG2      VAL  22   0.781   4.022  -6.743
  160    H    VAL  23           H        VAL  23   2.095   8.176  -5.181
  161    HA   VAL  23           HA       VAL  23   4.242   8.693  -3.275
  162    HB   VAL  23           HB       VAL  23   1.998  10.406  -4.359
  163   1HG1  VAL  23          1HG1      VAL  23   4.199  11.031  -2.371
  164   2HG1  VAL  23          2HG1      VAL  23   3.306  12.284  -3.266
  165   3HG1  VAL  23          3HG1      VAL  23   2.439  11.197  -2.155
  166   1HG2  VAL  23          1HG2      VAL  23   4.574   9.715  -5.402
  167   2HG2  VAL  23          2HG2      VAL  23   3.356  10.823  -6.077
  168   3HG2  VAL  23          3HG2      VAL  23   4.590  11.436  -4.950
  169    H    PHE  24           H        PHE  24   3.955   8.614  -1.074
  170    HA   PHE  24           HA       PHE  24   1.207   8.159  -0.157
  171   1HB   PHE  24          1HB       PHE  24   2.787   6.093  -0.324
  172   2HB   PHE  24          2HB       PHE  24   3.801   6.870   0.875
  173    HD1  PHE  24           HD1      PHE  24   0.299   5.712   0.352
  174    HD2  PHE  24           HD2      PHE  24   3.413   6.479   3.131
  175    HE1  PHE  24           HE1      PHE  24  -1.083   4.691   2.182
  176    HE2  PHE  24           HE2      PHE  24   2.031   5.458   4.961
  177    HZ   PHE  24           HZ       PHE  24  -0.200   4.576   4.465
  178    H    ASN  25           H        ASN  25   0.762   8.861   2.040
  179    HA   ASN  25           HA       ASN  25   2.864  10.487   3.197
  180   1HB   ASN  25          1HB       ASN  25   1.501  12.110   1.976
  181   2HB   ASN  25          2HB       ASN  25   0.013  11.389   2.556
  182   2HD2  ASN  25          2HD2      ASN  25  -0.597  13.445   3.319
  183   1HD2  ASN  25          1HD2      ASN  25   0.003  14.087   4.812
  184    H    HIS  26           H        HIS  26   2.659  10.639   5.547
  185    HA   HIS  26           HA       HIS  26   0.978   8.571   6.647
  186   1HB   HIS  26          1HB       HIS  26   3.343  10.151   7.549
  187   2HB   HIS  26          2HB       HIS  26   2.267   9.537   8.788
  188    HD1  HIS  26           HD1      HIS  26   4.673   8.394   6.112
  189    HD2  HIS  26           HD2      HIS  26   2.318   6.744   9.166
  190    HE1  HIS  26           HE1      HIS  26   5.434   5.973   6.372
  191    H    SER  27           H        SER  27   1.111  12.083   6.338
  192    HA   SER  27           HA       SER  27  -0.629  12.583   8.501
  193   1HB   SER  27          1HB       SER  27  -0.776  14.706   6.582
  194   2HB   SER  27          2HB       SER  27   0.095  14.681   8.102
  195    HG   SER  27           HG       SER  27   1.531  15.089   6.322
  196    H    THR  28           H        THR  28  -1.133  10.945   5.650
  197    HA   THR  28           HA       THR  28  -3.758  12.097   5.097
  198    HB   THR  28           HB       THR  28  -2.151   9.876   3.726
  199    HG1  THR  28           HG1      THR  28  -2.646  12.724   3.201
  200   1HG2  THR  28          1HG2      THR  28  -4.859  10.907   3.338
  201   2HG2  THR  28          2HG2      THR  28  -3.839  11.327   1.941
  202   3HG2  THR  28          3HG2      THR  28  -4.019   9.626   2.432
  203    H    HIS  29           H        HIS  29  -2.213   9.096   6.328
  204    HA   HIS  29           HA       HIS  29  -4.899   8.104   6.903
  205   1HB   HIS  29          1HB       HIS  29  -2.265   6.610   6.983
  206   2HB   HIS  29          2HB       HIS  29  -3.867   5.920   7.150
  207    HD1  HIS  29           HD1      HIS  29  -1.545   7.430   4.569
  208    HD2  HIS  29           HD2      HIS  29  -5.245   5.462   4.751
  209    HE1  HIS  29           HE1      HIS  29  -2.161   6.841   2.164
  210    H    LYS  30           H        LYS  30  -3.425  10.314   8.359
  211    HA   LYS  30           HA       LYS  30  -2.360   9.386  10.741
  212   1HB   LYS  30          1HB       LYS  30  -2.640  11.624  11.539
  213   2HB   LYS  30          2HB       LYS  30  -2.203  11.703   9.844
  214   1HG   LYS  30          1HG       LYS  30  -4.474  12.190   9.174
  215   2HG   LYS  30          2HG       LYS  30  -5.112  11.748  10.745
  216   1HD   LYS  30          1HD       LYS  30  -3.085  13.831  11.042
  217   2HD   LYS  30          2HD       LYS  30  -4.295  14.335   9.879
  218   1HE   LYS  30          1HE       LYS  30  -5.506  13.043  12.239
  219   2HE   LYS  30          2HE       LYS  30  -4.539  14.436  12.680
  220   1HZ   LYS  30          1HZ       LYS  30  -5.822  15.428  10.634
  221   2HZ   LYS  30          2HZ       LYS  30  -6.935  14.319  11.078
  222   3HZ   LYS  30          3HZ       LYS  30  -6.448  15.458  12.142
  223    H    ASP  31           H        ASP  31  -5.603   9.243   9.518
  224    HA   ASP  31           HA       ASP  31  -6.733   9.101  12.155
  225   1HB   ASP  31          1HB       ASP  31  -8.837   9.139  11.083
  226   2HB   ASP  31          2HB       ASP  31  -7.839  10.121  10.029
  227    H    VAL  32           H        VAL  32  -4.861   7.086  10.337
  228    HA   VAL  32           HA       VAL  32  -6.414   4.690  11.038
  229    HB   VAL  32           HB       VAL  32  -4.310   5.043   8.894
  230   1HG1  VAL  32          1HG1      VAL  32  -4.630   2.746  10.002
  231   2HG1  VAL  32          2HG1      VAL  32  -6.222   2.723   9.205
  232   3HG1  VAL  32          3HG1      VAL  32  -4.738   2.826   8.227
  233   1HG2  VAL  32          1HG2      VAL  32  -6.970   5.922   8.855
  234   2HG2  VAL  32          2HG2      VAL  32  -5.889   5.703   7.458
  235   3HG2  VAL  32          3HG2      VAL  32  -6.981   4.387   7.954
  236    H    LYS  33           H        LYS  33  -5.509   3.237  12.446
  237    HA   LYS  33           HA       LYS  33  -3.441   4.018  14.084
  238   1HB   LYS  33          1HB       LYS  33  -4.463   1.224  13.491
  239   2HB   LYS  33          2HB       LYS  33  -3.450   1.658  14.852
  240   1HG   LYS  33          1HG       LYS  33  -5.291   3.441  15.400
  241   2HG   LYS  33          2HG       LYS  33  -6.303   2.544  14.286
  242   1HD   LYS  33          1HD       LYS  33  -5.993   0.476  15.617
  243   2HD   LYS  33          2HD       LYS  33  -4.889   1.306  16.696
  244   1HE   LYS  33          1HE       LYS  33  -7.578   2.586  16.334
  245   2HE   LYS  33          2HE       LYS  33  -7.566   1.056  17.188
  246   1HZ   LYS  33          1HZ       LYS  33  -5.470   2.559  18.168
  247   2HZ   LYS  33          2HZ       LYS  33  -6.767   3.551  18.120
  248   3HZ   LYS  33          3HZ       LYS  33  -6.847   2.142  18.942
  249    H    CYS  34           H        CYS  34  -1.260   3.020  14.372
  250    HA   CYS  34           HA       CYS  34   0.121   3.136  11.897
  251   1HB   CYS  34          1HB       CYS  34   1.268   2.277  14.551
  252   2HB   CYS  34          2HB       CYS  34   2.115   2.961  13.177
  253    H    ASP  35           H        ASP  35  -0.820   0.612  14.300
  254    HA   ASP  35           HA       ASP  35   0.608  -1.446  13.093
  255   1HB   ASP  35          1HB       ASP  35  -0.992  -2.929  14.388
  256   2HB   ASP  35          2HB       ASP  35  -0.187  -1.712  15.358
  257    H    ASP  36           H        ASP  36  -2.066   0.381  12.025
  258    HA   ASP  36           HA       ASP  36  -3.705  -1.569  10.940
  259   1HB   ASP  36          1HB       ASP  36  -3.968   1.057  11.223
  260   2HB   ASP  36          2HB       ASP  36  -3.260   1.126   9.622
  261    H    CYS  37           H        CYS  37  -0.528  -0.400  10.107
  262    HA   CYS  37           HA       CYS  37  -0.708  -1.811   7.551
  263   1HB   CYS  37          1HB       CYS  37   0.677   0.841   8.054
  264   2HB   CYS  37          2HB       CYS  37   0.936  -0.142   6.627
  265    H    HIS  38           H        HIS  38   1.408  -0.407  10.149
  266    HA   HIS  38           HA       HIS  38   3.546  -2.177   9.505
  267   1HB   HIS  38          1HB       HIS  38   3.111  -0.370  11.900
  268   2HB   HIS  38          2HB       HIS  38   4.605  -1.200  11.515
  269    HD1  HIS  38           HD1      HIS  38   5.651  -0.509   9.031
  270    HD2  HIS  38           HD2      HIS  38   2.913   2.131  10.800
  271    HE1  HIS  38           HE1      HIS  38   5.968   1.738   7.864
  272    H    HIS  39           H        HIS  39   2.305  -4.222   9.576
  273    HA   HIS  39           HA       HIS  39   1.421  -5.018  12.210
  274   1HB   HIS  39          1HB       HIS  39   0.322  -6.780  11.173
  275   2HB   HIS  39          2HB       HIS  39   0.197  -5.482  10.002
  276    HD1  HIS  39           HD1      HIS  39   1.112  -8.968  10.260
  277    HD2  HIS  39           HD2      HIS  39   2.359  -5.730   7.903
  278    HE1  HIS  39           HE1      HIS  39   2.298  -9.972   8.236
  279    H    GLN  40           H        GLN  40   4.045  -4.457  12.463
  280    HA   GLN  40           HA       GLN  40   5.330  -7.066  12.240
  281   1HB   GLN  40          1HB       GLN  40   6.304  -4.278  11.843
  282   2HB   GLN  40          2HB       GLN  40   7.399  -5.321  12.727
  283   1HG   GLN  40          1HG       GLN  40   7.675  -5.316  10.175
  284   2HG   GLN  40          2HG       GLN  40   7.549  -6.894  10.926
  285   2HE2  GLN  40          2HE2      GLN  40   5.743  -8.151  10.655
  286   1HE2  GLN  40          1HE2      GLN  40   4.517  -7.836   9.473
  287    HA   PRO  41           HA       PRO  41   5.956  -7.314  16.584
  288   1HB   PRO  41          1HB       PRO  41   8.912  -7.567  16.317
  289   2HB   PRO  41          2HB       PRO  41   7.680  -8.781  16.792
  290   1HG   PRO  41          1HG       PRO  41   9.031  -8.682  14.684
  291   2HG   PRO  41          2HG       PRO  41   7.582  -9.606  14.171
  292   1HD   PRO  41          2HD       PRO  41   8.359  -6.804  13.587
  293   2HD   PRO  41          1HD       PRO  41   7.032  -7.769  12.874
  294    H    GLY  42           H        GLY  42   6.473  -6.037  18.465
  295   1HA   GLY  42          2HA       GLY  42   7.237  -4.258  19.622
  296   2HA   GLY  42          1HA       GLY  42   6.765  -3.349  18.200
  297    H    ASP  43           H        ASP  43   9.432  -5.737  18.860
  298    HA   ASP  43           HA       ASP  43  11.507  -4.171  19.175
  299   1HB   ASP  43          1HB       ASP  43  12.791  -5.878  17.645
  300   2HB   ASP  43          2HB       ASP  43  12.007  -6.462  19.099
  301    H    LYS  44           H        LYS  44  10.092  -5.103  15.953
  302    HA   LYS  44           HA       LYS  44  11.280  -2.666  14.845
  303   1HB   LYS  44          1HB       LYS  44  12.472  -4.969  14.319
  304   2HB   LYS  44          2HB       LYS  44  11.161  -5.151  13.171
  305   1HG   LYS  44          1HG       LYS  44  12.681  -4.008  11.834
  306   2HG   LYS  44          2HG       LYS  44  11.805  -2.645  12.501
  307   1HD   LYS  44          1HD       LYS  44  13.569  -1.978  13.842
  308   2HD   LYS  44          2HD       LYS  44  14.096  -3.619  14.158
  309   1HE   LYS  44          2HE       LYS  44  15.826  -2.938  12.763
  310   2HE   LYS  44          1HE       LYS  44  14.731  -3.576  11.554
  311   1HZ   LYS  44          1HZ       LYS  44  14.877  -0.756  12.368
  312   2HZ   LYS  44          2HZ       LYS  44  15.504  -1.379  10.994
  313   3HZ   LYS  44          3HZ       LYS  44  13.886  -1.360  11.219
  314    H    GLN  45           H        GLN  45   8.848  -2.356  15.770
  315    HA   GLN  45           HA       GLN  45   6.730  -3.372  14.407
  316   1HB   GLN  45          1HB       GLN  45   6.967  -1.673  16.459
  317   2HB   GLN  45          2HB       GLN  45   6.696  -0.467  15.217
  318   1HG   GLN  45          1HG       GLN  45   4.558  -1.429  14.609
  319   2HG   GLN  45          2HG       GLN  45   4.870  -2.886  15.533
  320   2HE2  GLN  45          2HE2      GLN  45   2.582  -1.787  16.056
  321   1HE2  GLN  45          1HE2      GLN  45   2.545  -0.916  17.552
  322    H    TYR  46           H        TYR  46   8.741  -0.524  13.664
  323    HA   TYR  46           HA       TYR  46   7.376  -0.259  11.038
  324   1HB   TYR  46          2HB       TYR  46   9.372   1.662  12.240
  325   2HB   TYR  46          1HB       TYR  46   8.144   1.970  11.000
  326    HD1  TYR  46           HD1      TYR  46   5.740   2.119  11.633
  327    HD2  TYR  46           HD2      TYR  46   8.855   1.798  14.572
  328    HE1  TYR  46           HE1      TYR  46   4.168   2.902  13.384
  329    HE2  TYR  46           HE2      TYR  46   7.283   2.581  16.324
  330    HH   TYR  46           HH       TYR  46   4.552   2.545  16.577
  331    H    ALA  47           H        ALA  47   8.371  -1.683   9.586
  332    HA   ALA  47           HA       ALA  47  11.218  -1.206   9.191
  333   1HB   ALA  47          1HB       ALA  47   9.960  -3.944   9.629
  334   2HB   ALA  47          3HB       ALA  47  11.146  -3.138  10.684
  335   3HB   ALA  47          2HB       ALA  47  11.620  -3.665   9.052
  336    H    GLY  48           H        GLY  48  11.798  -2.770   7.104
  337   1HA   GLY  48          2HA       GLY  48  11.569  -2.816   4.861
  338   2HA   GLY  48          1HA       GLY  48  10.257  -1.660   4.988
  339    H    CYS  49           H        CYS  49   8.735  -2.611   3.622
  340    HA   CYS  49           HA       CYS  49   7.358  -4.856   4.709
  341   1HB   CYS  49          1HB       CYS  49   6.859  -3.519   2.049
  342   2HB   CYS  49          2HB       CYS  49   5.746  -4.496   2.985
  343    H    THR  50           H        THR  50   9.748  -4.157   2.168
  344    HA   THR  50           HA       THR  50   9.468  -6.848   1.068
  345    HB   THR  50           HB       THR  50  10.860  -5.954  -0.733
  346    HG1  THR  50           HG1      THR  50  11.020  -3.534   0.890
  347   1HG2  THR  50          1HG2      THR  50   8.496  -4.490   0.175
  348   2HG2  THR  50          2HG2      THR  50   9.667  -3.371  -0.563
  349   3HG2  THR  50          3HG2      THR  50   9.062  -4.764  -1.491
  350    H    THR  51           H        THR  51  10.513  -6.148   3.872
  351    HA   THR  51           HA       THR  51  13.298  -6.659   3.819
  352    HB   THR  51           HB       THR  51  11.262  -7.091   6.064
  353    HG1  THR  51           HG1      THR  51  12.672  -4.815   4.883
  354   1HG2  THR  51          1HG2      THR  51  14.238  -6.375   5.984
  355   2HG2  THR  51          2HG2      THR  51  13.225  -6.222   7.440
  356   3HG2  THR  51          3HG2      THR  51  13.512  -7.825   6.719
  357    H    ASP  52           H        ASP  52  14.417  -8.572   4.632
  358    HA   ASP  52           HA       ASP  52  13.749 -10.788   3.206
  359   1HB   ASP  52          1HB       ASP  52  15.541 -10.182   5.529
  360   2HB   ASP  52          2HB       ASP  52  15.187 -11.879   5.272
  361    H    GLY  53           H        GLY  53  12.955 -12.956   3.964
  362   1HA   GLY  53          2HA       GLY  53  11.942 -13.485   6.501
  363   2HA   GLY  53          1HA       GLY  53  11.483 -14.290   5.013
  364    H    CYS  54           H        CYS  54  10.748 -11.346   4.020
  365    HA   CYS  54           HA       CYS  54   8.084 -11.438   5.229
  366   1HB   CYS  54          1HB       CYS  54   9.477  -8.852   4.489
  367   2HB   CYS  54          2HB       CYS  54   7.961  -9.051   5.345
  368    H    HIS  55           H        HIS  55   7.856  -8.871   3.301
  369    HA   HIS  55           HA       HIS  55   7.037 -10.479   1.040
  370   1HB   HIS  55          1HB       HIS  55   6.666  -7.502   1.384
  371   2HB   HIS  55          2HB       HIS  55   5.761  -8.596   0.357
  372    HD1  HIS  55           HD1      HIS  55   4.155 -10.364   1.653
  373    HD2  HIS  55           HD2      HIS  55   5.641  -7.169   3.930
  374    HE1  HIS  55           HE1      HIS  55   2.700 -10.239   3.746
  375    H    ASN  56           H        ASN  56   9.777 -10.583   1.271
  376    HA   ASN  56           HA       ASN  56  10.935  -8.469  -0.236
  377   1HB   ASN  56          1HB       ASN  56  12.209  -9.729   1.522
  378   2HB   ASN  56          2HB       ASN  56  12.043 -11.205   0.591
  379   2HD2  ASN  56          2HD2      ASN  56  14.414  -9.715   1.462
  380   1HD2  ASN  56          1HD2      ASN  56  15.347  -9.366   0.045
  381    H    ILE  57           H        ILE  57   9.169  -8.984  -2.030
  382    HA   ILE  57           HA       ILE  57  10.394 -10.867  -3.908
  383    HB   ILE  57           HB       ILE  57   7.429 -10.612  -3.399
  384   1HG1  ILE  57          1HG1      ILE  57   8.949 -11.802  -1.639
  385   2HG1  ILE  57          2HG1      ILE  57   7.454 -12.550  -2.164
  386   1HG2  ILE  57          1HG2      ILE  57   9.043 -11.832  -5.543
  387   2HG2  ILE  57          2HG2      ILE  57   7.792 -12.890  -4.848
  388   3HG2  ILE  57          3HG2      ILE  57   7.341 -11.309  -5.530
  389   1HD1  ILE  57          1HD1      ILE  57   9.807 -13.208  -3.863
  390   2HD1  ILE  57          2HD1      ILE  57   9.901 -13.803  -2.188
  391   3HD1  ILE  57          3HD1      ILE  57   8.531 -14.272  -3.223
  392    H    LEU  58           H        LEU  58  11.223  -9.564  -5.459
  393    HA   LEU  58           HA       LEU  58   9.703  -7.167  -6.147
  394   1HB   LEU  58          1HB       LEU  58  12.547  -7.987  -6.750
  395   2HB   LEU  58          2HB       LEU  58  11.792  -6.509  -7.313
  396    HG   LEU  58           HG       LEU  58  12.437  -7.283  -4.461
  397   1HD1  LEU  58          1HD1      LEU  58  13.688  -5.597  -6.506
  398   2HD1  LEU  58          2HD1      LEU  58  13.460  -4.777  -4.943
  399   3HD1  LEU  58          3HD1      LEU  58  14.367  -6.306  -5.022
  400   1HD2  LEU  58          1HD2      LEU  58  10.752  -4.982  -5.471
  401   2HD2  LEU  58          2HD2      LEU  58  10.293  -6.259  -4.319
  402   3HD2  LEU  58          3HD2      LEU  58  11.495  -5.031  -3.855
  403    H    ASP  59           H        ASP  59   8.025  -8.571  -7.177
  404    HA   ASP  59           HA       ASP  59   8.554  -8.691  -9.936
  405   1HB   ASP  59          2HB       ASP  59   8.621 -10.974 -10.355
  406   2HB   ASP  59          1HB       ASP  59   9.451 -10.938  -8.812
  407    H    LYS  60           H        LYS  60   6.484  -9.129 -11.132
  408    HA   LYS  60           HA       LYS  60   4.158  -8.963  -9.344
  409   1HB   LYS  60          2HB       LYS  60   3.077  -7.575 -11.002
  410   2HB   LYS  60          1HB       LYS  60   4.611  -6.862 -10.546
  411   1HG   LYS  60          1HG       LYS  60   5.515  -7.143 -12.636
  412   2HG   LYS  60          2HG       LYS  60   4.823  -8.741 -12.833
  413   1HD   LYS  60          1HD       LYS  60   2.655  -7.815 -13.459
  414   2HD   LYS  60          2HD       LYS  60   3.153  -6.194 -13.014
  415   1HE   LYS  60          1HE       LYS  60   4.682  -6.031 -14.864
  416   2HE   LYS  60          2HE       LYS  60   4.648  -7.759 -15.154
  417   1HZ   LYS  60          1HZ       LYS  60   2.185  -6.211 -15.351
  418   2HZ   LYS  60          2HZ       LYS  60   3.237  -6.231 -16.600
  419   3HZ   LYS  60          3HZ       LYS  60   2.568  -7.625 -16.074
  420    H    ALA  61           H        ALA  61   4.859 -11.470  -9.601
  421    HA   ALA  61           HA       ALA  61   2.772 -12.723 -10.843
  422   1HB   ALA  61          1HB       ALA  61   4.905 -13.554 -12.632
  423   2HB   ALA  61          3HB       ALA  61   3.272 -12.963 -13.021
  424   3HB   ALA  61          2HB       ALA  61   4.604 -11.806 -12.788
  425    H    ASP  62           H        ASP  62   3.660 -13.123  -8.421
  426    HA   ASP  62           HA       ASP  62   5.403 -15.452  -8.627
  427   1HB   ASP  62          1HB       ASP  62   6.228 -13.433  -7.277
  428   2HB   ASP  62          2HB       ASP  62   4.903 -13.716  -6.166
  429    H    LYS  63           H        LYS  63   4.938 -16.919  -6.464
  430    HA   LYS  63           HA       LYS  63   2.052 -16.952  -5.975
  431   1HB   LYS  63          1HB       LYS  63   2.381 -18.560  -7.735
  432   2HB   LYS  63          2HB       LYS  63   3.748 -19.281  -6.910
  433   1HG   LYS  63          1HG       LYS  63   2.085 -19.736  -4.945
  434   2HG   LYS  63          2HG       LYS  63   0.817 -19.373  -6.098
  435   1HD   LYS  63          1HD       LYS  63   0.978 -21.453  -6.982
  436   2HD   LYS  63          2HD       LYS  63   2.664 -21.183  -7.376
  437   1HE   LYS  63          1HE       LYS  63   3.297 -21.831  -5.026
  438   2HE   LYS  63          2HE       LYS  63   1.610 -22.143  -4.671
  439   1HZ   LYS  63          1HZ       LYS  63   2.892 -23.456  -6.941
  440   2HZ   LYS  63          2HZ       LYS  63   3.074 -24.055  -5.433
  441   3HZ   LYS  63          3HZ       LYS  63   1.584 -23.934  -6.089
  442    H    SER  64           H        SER  64   2.625 -15.896  -3.957
  443    HA   SER  64           HA       SER  64   2.954 -17.721  -1.907
  444   1HB   SER  64          1HB       SER  64   5.154 -17.102  -1.010
  445   2HB   SER  64          2HB       SER  64   5.329 -17.758  -2.625
  446    HG   SER  64           HG       SER  64   6.537 -15.699  -2.079
  447    H    VAL  65           H        VAL  65   3.104 -16.521   0.288
  448    HA   VAL  65           HA       VAL  65   1.578 -14.072   0.022
  449    HB   VAL  65           HB       VAL  65   0.739 -15.777   1.488
  450   1HG1  VAL  65          1HG1      VAL  65   3.535 -15.766   2.568
  451   2HG1  VAL  65          2HG1      VAL  65   2.193 -16.159   3.669
  452   3HG1  VAL  65          3HG1      VAL  65   2.456 -17.133   2.202
  453   1HG2  VAL  65          1HG2      VAL  65   0.850 -13.191   2.124
  454   2HG2  VAL  65          2HG2      VAL  65   0.137 -14.401   3.217
  455   3HG2  VAL  65          3HG2      VAL  65   1.799 -13.826   3.490
  456    H    ASN  66           H        ASN  66   4.274 -13.881  -0.902
  457    HA   ASN  66           HA       ASN  66   5.304 -12.114   1.172
  458   1HB   ASN  66          1HB       ASN  66   6.971 -13.840  -0.735
  459   2HB   ASN  66          2HB       ASN  66   7.620 -12.736   0.461
  460   2HD2  ASN  66          2HD2      ASN  66   6.655 -13.078   2.730
  461   1HD2  ASN  66          1HD2      ASN  66   6.613 -14.708   3.312
  462    H    SER  67           H        SER  67   3.729 -12.191  -1.652
  463    HA   SER  67           HA       SER  67   5.470 -10.736  -3.343
  464   1HB   SER  67          1HB       SER  67   3.111 -10.324  -4.525
  465   2HB   SER  67          2HB       SER  67   3.911 -11.880  -4.612
  466    HG   SER  67           HG       SER  67   1.751 -12.239  -3.998
  467    H    TRP  68           H        TRP  68   5.617  -8.495  -3.642
  468    HA   TRP  68           HA       TRP  68   4.214  -6.898  -1.646
  469   1HB   TRP  68          1HB       TRP  68   6.501  -6.491  -1.561
  470   2HB   TRP  68          2HB       TRP  68   6.686  -6.525  -3.303
  471    HD1  TRP  68           HD1      TRP  68   6.824  -4.161  -4.419
  472    HE1  TRP  68           HE1      TRP  68   6.280  -1.654  -3.802
  473    HE3  TRP  68           HE3      TRP  68   4.631  -5.188   0.052
  474    HZ2  TRP  68           HZ2      TRP  68   5.021  -0.410  -1.563
  475    HZ3  TRP  68           HZ3      TRP  68   3.771  -3.270   1.391
  476    HH2  TRP  68           HH2      TRP  68   3.938  -0.946   0.650
  477    H    TYR  69           H        TYR  69   3.201  -8.174  -4.260
  478    HA   TYR  69           HA       TYR  69   2.110  -5.665  -5.448
  479   1HB   TYR  69          1HB       TYR  69   3.606  -6.665  -7.038
  480   2HB   TYR  69          2HB       TYR  69   2.923  -8.275  -6.757
  481    HD1  TYR  69           HD1      TYR  69   0.561  -8.761  -7.500
  482    HD2  TYR  69           HD2      TYR  69   2.651  -5.180  -8.622
  483    HE1  TYR  69           HE1      TYR  69  -1.048  -8.403  -9.352
  484    HE2  TYR  69           HE2      TYR  69   1.041  -4.821 -10.474
  485    HH   TYR  69           HH       TYR  69  -1.903  -6.342 -10.754
  486    H    LYS  70           H        LYS  70   1.425  -8.399  -3.556
  487    HA   LYS  70           HA       LYS  70  -1.308  -8.511  -4.622
  488   1HB   LYS  70          1HB       LYS  70   0.125 -10.623  -4.570
  489   2HB   LYS  70          2HB       LYS  70   0.016 -10.551  -2.823
  490   1HG   LYS  70          1HG       LYS  70  -2.645 -10.171  -3.719
  491   2HG   LYS  70          2HG       LYS  70  -2.000 -11.415  -4.770
  492   1HD   LYS  70          1HD       LYS  70  -2.035 -11.454  -1.718
  493   2HD   LYS  70          2HD       LYS  70  -2.987 -12.467  -2.785
  494   1HE   LYS  70          1HE       LYS  70  -1.138 -13.782  -3.424
  495   2HE   LYS  70          2HE       LYS  70   0.022 -12.516  -3.072
  496   1HZ   LYS  70          1HZ       LYS  70  -0.664 -12.828  -0.693
  497   2HZ   LYS  70          2HZ       LYS  70  -1.414 -14.202  -1.158
  498   3HZ   LYS  70          3HZ       LYS  70   0.199 -14.046  -1.354
  499    H    VAL  71           H        VAL  71   0.735  -8.155  -1.681
  500    HA   VAL  71           HA       VAL  71  -1.413  -7.903   0.107
  501    HB   VAL  71           HB       VAL  71   0.292  -6.942   1.600
  502   1HG1  VAL  71          1HG1      VAL  71   0.023  -9.433   1.161
  503   2HG1  VAL  71          2HG1      VAL  71   1.452  -9.309   0.107
  504   3HG1  VAL  71          3HG1      VAL  71   1.587  -8.920   1.839
  505   1HG2  VAL  71          1HG2      VAL  71   1.517  -5.643  -0.136
  506   2HG2  VAL  71          2HG2      VAL  71   2.586  -6.634   0.886
  507   3HG2  VAL  71          3HG2      VAL  71   2.184  -7.169  -0.764
  508    H    VAL  72           H        VAL  72  -0.449  -5.942  -2.496
  509    HA   VAL  72           HA       VAL  72  -1.424  -3.512  -1.189
  510    HB   VAL  72           HB       VAL  72   0.065  -3.995  -3.775
  511   1HG1  VAL  72          1HG1      VAL  72  -1.296  -1.565  -2.681
  512   2HG1  VAL  72          2HG1      VAL  72   0.266  -1.357  -3.509
  513   3HG1  VAL  72          3HG1      VAL  72  -1.102  -2.110  -4.365
  514   1HG2  VAL  72          1HG2      VAL  72   1.223  -4.164  -1.447
  515   2HG2  VAL  72          2HG2      VAL  72   1.981  -3.188  -2.728
  516   3HG2  VAL  72          3HG2      VAL  72   1.063  -2.391  -1.429
  517    H    HIS  73           H        HIS  73  -1.860  -5.559  -4.151
  518    HA   HIS  73           HA       HIS  73  -4.413  -4.226  -4.569
  519   1HB   HIS  73          2HB       HIS  73  -2.984  -6.211  -6.355
  520   2HB   HIS  73          1HB       HIS  73  -4.379  -5.236  -6.771
  521    HD1  HIS  73           HD1      HIS  73  -0.650  -4.999  -6.225
  522    HD2  HIS  73           HD2      HIS  73  -3.831  -2.561  -7.462
  523    HE1  HIS  73           HE1      HIS  73   0.403  -2.887  -7.196
  524    H    ASP  74           H        ASP  74  -3.863  -6.111  -2.299
  525    HA   ASP  74           HA       ASP  74  -5.198  -8.510  -3.056
  526   1HB   ASP  74          1HB       ASP  74  -3.701  -7.474  -0.762
  527   2HB   ASP  74          2HB       ASP  74  -5.170  -8.262  -0.221
  528    H    ALA  75           H        ALA  75  -7.444  -8.712  -3.074
  529    HA   ALA  75           HA       ALA  75  -8.980  -6.614  -1.737
  530   1HB   ALA  75          1HB       ALA  75  -9.297  -8.326  -4.149
  531   2HB   ALA  75          3HB       ALA  75 -10.781  -8.031  -3.212
  532   3HB   ALA  75          2HB       ALA  75  -9.842  -6.659  -3.848
  533    H    LYS  76           H        LYS  76  -7.747  -9.694  -1.149
  534    HA   LYS  76           HA       LYS  76 -10.104 -10.733   0.151
  535   1HB   LYS  76          1HB       LYS  76  -8.210 -12.019  -1.134
  536   2HB   LYS  76          2HB       LYS  76  -7.349 -11.914   0.388
  537   1HG   LYS  76          1HG       LYS  76  -9.542 -12.830   1.479
  538   2HG   LYS  76          2HG       LYS  76 -10.031 -13.245  -0.152
  539   1HD   LYS  76          1HD       LYS  76  -7.344 -14.121   0.984
  540   2HD   LYS  76          2HD       LYS  76  -8.797 -15.070   1.222
  541   1HE   LYS  76          1HE       LYS  76  -8.845 -15.795  -0.959
  542   2HE   LYS  76          2HE       LYS  76  -8.379 -14.231  -1.597
  543   1HZ   LYS  76          1HZ       LYS  76  -6.166 -15.034  -0.323
  544   2HZ   LYS  76          2HZ       LYS  76  -6.737 -16.449  -0.903
  545   3HZ   LYS  76          3HZ       LYS  76  -6.434 -15.211  -1.924
  546    H    GLY  77           H        GLY  77 -10.146 -11.272   2.470
  547   1HA   GLY  77          2HA       GLY  77 -10.109 -10.512   4.595
  548   2HA   GLY  77          1HA       GLY  77  -9.308  -9.052   4.048
  549    H    GLY  78           H        GLY  78  -8.599 -10.313   6.485
  550   1HA   GLY  78          2HA       GLY  78  -5.814 -11.011   5.887
  551   2HA   GLY  78          1HA       GLY  78  -6.773 -12.149   6.814
  552    H    ALA  79           H        ALA  79  -4.592 -11.205   8.104
  553    HA   ALA  79           HA       ALA  79  -5.419 -10.296  10.476
  554   1HB   ALA  79          1HB       ALA  79  -2.980  -9.091  10.336
  555   2HB   ALA  79          3HB       ALA  79  -3.205 -10.843  10.553
  556   3HB   ALA  79          2HB       ALA  79  -2.878 -10.182   8.933
  557    H    LYS  80           H        LYS  80  -4.532  -8.248   7.629
  558    HA   LYS  80           HA       LYS  80  -6.223  -6.165   8.722
  559   1HB   LYS  80          2HB       LYS  80  -4.523  -4.435   8.550
  560   2HB   LYS  80          1HB       LYS  80  -4.038  -5.662   9.704
  561   1HG   LYS  80          1HG       LYS  80  -2.321  -6.467   8.353
  562   2HG   LYS  80          2HG       LYS  80  -3.158  -6.079   6.863
  563   1HD   LYS  80          1HD       LYS  80  -2.584  -3.747   7.014
  564   2HD   LYS  80          2HD       LYS  80  -2.123  -3.884   8.699
  565   1HE   LYS  80          1HE       LYS  80  -0.022  -4.669   8.199
  566   2HE   LYS  80          2HE       LYS  80  -0.602  -5.700   6.906
  567   1HZ   LYS  80          1HZ       LYS  80  -0.965  -3.080   6.108
  568   2HZ   LYS  80          2HZ       LYS  80   0.553  -3.182   6.703
  569   3HZ   LYS  80          3HZ       LYS  80   0.080  -4.177   5.497
  570    HA   PRO  81           HA       PRO  81  -7.526  -5.738   4.597
  571   1HB   PRO  81          1HB       PRO  81  -7.837  -2.954   4.515
  572   2HB   PRO  81          2HB       PRO  81  -8.987  -4.099   5.278
  573   1HG   PRO  81          1HG       PRO  81  -6.842  -2.635   6.269
  574   2HG   PRO  81          2HG       PRO  81  -8.337  -2.571   7.259
  575   1HD   PRO  81          1HD       PRO  81  -6.492  -4.141   8.185
  576   2HD   PRO  81          2HD       PRO  81  -8.034  -4.974   7.822
  577    H    THR  82           H        THR  82  -7.014  -3.877   2.652
  578    HA   THR  82           HA       THR  82  -4.084  -3.587   2.670
  579    HB   THR  82           HB       THR  82  -4.205  -4.271   0.230
  580    HG1  THR  82           HG1      THR  82  -6.414  -5.427  -0.106
  581   1HG2  THR  82          1HG2      THR  82  -4.512  -5.999   2.515
  582   2HG2  THR  82          2HG2      THR  82  -5.577  -6.618   1.230
  583   3HG2  THR  82          3HG2      THR  82  -3.836  -6.415   0.922
  584    H    CYS  83           H        CYS  83  -3.846  -2.335   0.168
  585    HA   CYS  83           HA       CYS  83  -4.737   0.269   0.937
  586   1HB   CYS  83          2HB       CYS  83  -3.374  -0.417  -1.657
  587   2HB   CYS  83          1HB       CYS  83  -3.356   1.097  -0.775
  588    H    ILE  84           H        ILE  84  -6.225  -2.352  -0.506
  589    HA   ILE  84           HA       ILE  84  -7.825  -0.635  -2.273
  590    HB   ILE  84           HB       ILE  84  -6.871  -3.446  -2.480
  591   1HG1  ILE  84          1HG1      ILE  84  -5.866  -1.507  -3.727
  592   2HG1  ILE  84          2HG1      ILE  84  -6.391  -2.850  -4.723
  593   1HG2  ILE  84          1HG2      ILE  84  -9.611  -2.512  -3.240
  594   2HG2  ILE  84          2HG2      ILE  84  -8.753  -3.648  -4.309
  595   3HG2  ILE  84          3HG2      ILE  84  -9.069  -4.087  -2.613
  596   1HD1  ILE  84          1HD1      ILE  84  -8.650  -1.534  -4.942
  597   2HD1  ILE  84          2HD1      ILE  84  -7.703  -0.141  -4.366
  598   3HD1  ILE  84          3HD1      ILE  84  -7.241  -0.969  -5.872
  599    H    SER  85           H        SER  85  -7.851  -3.238   0.219
  600    HA   SER  85           HA       SER  85 -10.538  -3.605   0.377
  601   1HB   SER  85          1HB       SER  85  -8.462  -4.667   1.669
  602   2HB   SER  85          2HB       SER  85  -8.892  -3.504   2.908
  603    HG   SER  85           HG       SER  85 -10.027  -5.895   2.440
  604    H    CYS  86           H        CYS  86  -8.532  -1.384   2.461
  605    HA   CYS  86           HA       CYS  86 -10.720  -0.173   3.672
  606   1HB   CYS  86          1HB       CYS  86  -8.271  -0.141   4.406
  607   2HB   CYS  86          2HB       CYS  86  -8.027   1.143   3.240
  608    H    HIS  87           H        HIS  87  -8.541   0.983   0.987
  609    HA   HIS  87           HA       HIS  87  -9.800   3.297   0.385
  610   1HB   HIS  87          1HB       HIS  87  -8.296   1.284  -1.253
  611   2HB   HIS  87          2HB       HIS  87  -9.058   2.638  -2.062
  612    HD1  HIS  87           HD1      HIS  87  -6.785   3.718  -2.694
  613    HD2  HIS  87           HD2      HIS  87  -7.360   3.239   1.433
  614    HE1  HIS  87           HE1      HIS  87  -4.950   5.076  -1.554
  615    H    LYS  88           H        LYS  88 -10.836  -0.039  -0.342
  616    HA   LYS  88           HA       LYS  88 -12.824   0.670  -2.205
  617   1HB   LYS  88          1HB       LYS  88 -12.049  -1.750  -0.652
  618   2HB   LYS  88          2HB       LYS  88 -13.694  -1.693  -1.251
  619   1HG   LYS  88          1HG       LYS  88 -11.256  -1.156  -3.008
  620   2HG   LYS  88          2HG       LYS  88 -11.990  -2.739  -2.844
  621   1HD   LYS  88          1HD       LYS  88 -14.102  -0.851  -3.394
  622   2HD   LYS  88          2HD       LYS  88 -12.812  -0.552  -4.541
  623   1HE   LYS  88          2HE       LYS  88 -14.043  -2.227  -5.640
  624   2HE   LYS  88          1HE       LYS  88 -12.790  -3.168  -4.857
  625   1HZ   LYS  88          1HZ       LYS  88 -14.925  -2.812  -3.092
  626   2HZ   LYS  88          2HZ       LYS  88 -15.504  -3.389  -4.505
  627   3HZ   LYS  88          3HZ       LYS  88 -14.334  -4.204  -3.708
  628    H    ASP  89           H        ASP  89 -12.867   0.063   1.364
  629    HA   ASP  89           HA       ASP  89 -15.553   0.331   1.719
  630   1HB   ASP  89          1HB       ASP  89 -13.503  -0.162   3.367
  631   2HB   ASP  89          2HB       ASP  89 -13.625   1.554   3.705
  632    H    LYS  90           H        LYS  90 -12.921   2.794   1.509
  633    HA   LYS  90           HA       LYS  90 -14.420   5.010   2.289
  634   1HB   LYS  90          1HB       LYS  90 -11.842   4.498   0.915
  635   2HB   LYS  90          2HB       LYS  90 -12.561   6.067   0.616
  636   1HG   LYS  90          1HG       LYS  90 -12.193   4.905   3.415
  637   2HG   LYS  90          2HG       LYS  90 -11.012   5.946   2.646
  638   1HD   LYS  90          1HD       LYS  90 -12.454   7.830   2.669
  639   2HD   LYS  90          2HD       LYS  90 -13.899   6.849   2.812
  640   1HE   LYS  90          1HE       LYS  90 -11.785   7.235   4.986
  641   2HE   LYS  90          2HE       LYS  90 -13.374   7.974   4.963
  642   1HZ   LYS  90          1HZ       LYS  90 -14.164   5.557   4.791
  643   2HZ   LYS  90          2HZ       LYS  90 -12.685   5.175   5.369
  644   3HZ   LYS  90          3HZ       LYS  90 -13.683   6.128   6.244
  645    H    ALA  91           H        ALA  91 -14.023   3.340  -0.862
  646    HA   ALA  91           HA       ALA  91 -15.723   5.331  -2.129
  647   1HB   ALA  91          1HB       ALA  91 -15.039   3.089  -3.811
  648   2HB   ALA  91          2HB       ALA  91 -13.585   3.632  -2.939
  649   3HB   ALA  91          3HB       ALA  91 -14.507   4.783  -3.935
  650    H    GLY  92           H        GLY  92 -16.636   3.437   0.079
  651   1HA   GLY  92          2HA       GLY  92 -18.198   1.785   0.415
  652   2HA   GLY  92          1HA       GLY  92 -18.413   1.605  -1.315
  653    H    ASP  93           H        ASP  93 -19.178   3.964  -2.337
  654    HA   ASP  93           HA       ASP  93 -21.781   4.191  -1.706
  655   1HB   ASP  93          1HB       ASP  93 -21.731   6.527  -0.553
  656   2HB   ASP  93          2HB       ASP  93 -21.467   5.112   0.446
  657    H    ASP  94           H        ASP  94 -18.976   6.503  -2.069
  658    HA   ASP  94           HA       ASP  94 -20.341   7.883  -4.150
  659   1HB   ASP  94          1HB       ASP  94 -18.855   9.073  -2.565
  660   2HB   ASP  94          2HB       ASP  94 -17.494   8.087  -3.062
  661    H    LYS  95           H        LYS  95 -20.129   7.411  -6.355
  662    HA   LYS  95           HA       LYS  95 -18.529   5.179  -7.117
  663   1HB   LYS  95          1HB       LYS  95 -20.860   6.037  -7.999
  664   2HB   LYS  95          2HB       LYS  95 -19.879   7.010  -9.075
  665   1HG   LYS  95          1HG       LYS  95 -18.597   4.794  -9.609
  666   2HG   LYS  95          2HG       LYS  95 -19.942   3.978  -8.837
  667   1HD   LYS  95          1HD       LYS  95 -21.528   5.098 -10.422
  668   2HD   LYS  95          2HD       LYS  95 -20.179   5.905 -11.198
  669   1HE   LYS  95          1HE       LYS  95 -19.962   4.100 -12.556
  670   2HE   LYS  95          2HE       LYS  95 -19.435   3.174 -11.165
  671   1HZ   LYS  95          1HZ       LYS  95 -22.242   3.465 -11.204
  672   2HZ   LYS  95          2HZ       LYS  95 -21.709   2.782 -12.588
  673   3HZ   LYS  95          3HZ       LYS  95 -21.346   2.101 -11.149
  674    H    GLU  96           H        GLU  96 -18.388   8.755  -7.506
  675    HA   GLU  96           HA       GLU  96 -16.210   8.719  -9.238
  676   1HB   GLU  96          1HB       GLU  96 -17.724  10.669  -8.903
  677   2HB   GLU  96          2HB       GLU  96 -17.100  10.883  -7.279
  678   1HG   GLU  96          1HG       GLU  96 -14.737  10.936  -8.547
  679   2HG   GLU  96          2HG       GLU  96 -15.726  11.384  -9.922
  680    H    LEU  97           H        LEU  97 -16.524   8.324  -5.746
  681    HA   LEU  97           HA       LEU  97 -13.821   9.000  -5.153
  682   1HB   LEU  97          1HB       LEU  97 -15.874   9.078  -3.632
  683   2HB   LEU  97          2HB       LEU  97 -15.693   7.342  -3.475
  684    HG   LEU  97           HG       LEU  97 -14.684   8.417  -1.580
  685   1HD1  LEU  97          1HD1      LEU  97 -13.522   6.451  -2.929
  686   2HD1  LEU  97          2HD1      LEU  97 -12.235   7.667  -3.112
  687   3HD1  LEU  97          3HD1      LEU  97 -12.772   7.177  -1.487
  688   1HD2  LEU  97          1HD2      LEU  97 -13.814  10.352  -3.526
  689   2HD2  LEU  97          2HD2      LEU  97 -13.837  10.459  -1.749
  690   3HD2  LEU  97          3HD2      LEU  97 -12.424   9.768  -2.581
  691    H    LYS  98           H        LYS  98 -15.482   6.242  -6.497
  692    HA   LYS  98           HA       LYS  98 -13.397   4.401  -5.709
  693   1HB   LYS  98          1HB       LYS  98 -15.868   3.830  -5.846
  694   2HB   LYS  98          2HB       LYS  98 -15.720   3.920  -7.589
  695   1HG   LYS  98          1HG       LYS  98 -13.635   2.289  -7.176
  696   2HG   LYS  98          2HG       LYS  98 -14.477   1.936  -5.680
  697   1HD   LYS  98          1HD       LYS  98 -15.838   1.806  -8.408
  698   2HD   LYS  98          2HD       LYS  98 -15.049   0.422  -7.677
  699   1HE   LYS  98          1HE       LYS  98 -17.226   2.006  -6.242
  700   2HE   LYS  98          2HE       LYS  98 -17.586   0.633  -7.271
  701   1HZ   LYS  98          1HZ       LYS  98 -15.686   0.465  -5.044
  702   2HZ   LYS  98          2HZ       LYS  98 -17.278   0.144  -4.870
  703   3HZ   LYS  98          3HZ       LYS  98 -16.365  -0.769  -5.871
  704    H    LYS  99           H        LYS  99 -12.901   6.901  -7.403
  705    HA   LYS  99           HA       LYS  99 -11.492   5.464  -9.522
  706   1HB   LYS  99          1HB       LYS  99 -13.555   7.586  -9.854
  707   2HB   LYS  99          2HB       LYS  99 -12.124   7.717 -10.856
  708   1HG   LYS  99          1HG       LYS  99 -12.495   5.609 -11.897
  709   2HG   LYS  99          2HG       LYS  99 -13.554   5.053 -10.616
  710   1HD   LYS  99          1HD       LYS  99 -15.133   7.014 -11.332
  711   2HD   LYS  99          2HD       LYS  99 -14.159   7.095 -12.787
  712   1HE   LYS  99          2HE       LYS  99 -15.506   5.465 -13.630
  713   2HE   LYS  99          1HE       LYS  99 -14.674   4.356 -12.559
  714   1HZ   LYS  99          1HZ       LYS  99 -16.337   5.043 -10.849
  715   2HZ   LYS  99          2HZ       LYS  99 -17.176   5.788 -12.035
  716   3HZ   LYS  99          3HZ       LYS  99 -16.937   4.173 -12.094
  717    H    LYS 100           H        LYS 100 -10.372   6.110  -7.074
  718    HA   LYS 100           HA       LYS 100  -8.308   7.874  -7.920
  719   1HB   LYS 100          1HB       LYS 100  -8.660   9.392  -5.846
  720   2HB   LYS 100          2HB       LYS 100  -9.570   9.712  -7.309
  721   1HG   LYS 100          1HG       LYS 100 -11.451   8.256  -6.319
  722   2HG   LYS 100          2HG       LYS 100 -10.556   8.264  -4.812
  723   1HD   LYS 100          1HD       LYS 100 -11.714  10.673  -6.280
  724   2HD   LYS 100          2HD       LYS 100 -12.193  10.059  -4.711
  725   1HE   LYS 100          1HE       LYS 100  -9.443  11.222  -5.365
  726   2HE   LYS 100          2HE       LYS 100 -10.724  12.085  -4.538
  727   1HZ   LYS 100          1HZ       LYS 100 -10.287   9.614  -3.297
  728   2HZ   LYS 100          2HZ       LYS 100  -8.868  10.413  -3.418
  729   3HZ   LYS 100          3HZ       LYS 100 -10.137  11.114  -2.668
  730    H    LEU 101           H        LEU 101  -9.965   6.278  -5.125
  731    HA   LEU 101           HA       LEU 101  -7.385   5.693  -3.953
  732   1HB   LEU 101          2HB       LEU 101 -10.112   4.847  -2.986
  733   2HB   LEU 101          1HB       LEU 101  -8.616   4.906  -2.075
  734    HG   LEU 101           HG       LEU 101 -10.324   7.209  -3.017
  735   1HD1  LEU 101          1HD1      LEU 101  -9.344   6.321  -0.291
  736   2HD1  LEU 101          2HD1      LEU 101 -10.266   7.809  -0.614
  737   3HD1  LEU 101          3HD1      LEU 101 -11.005   6.220  -0.924
  738   1HD2  LEU 101          1HD2      LEU 101  -7.484   7.343  -1.971
  739   2HD2  LEU 101          2HD2      LEU 101  -8.070   7.854  -3.572
  740   3HD2  LEU 101          3HD2      LEU 101  -8.587   8.733  -2.113
  741    H    THR 102           H        THR 102  -9.959   4.151  -5.861
  742    HA   THR 102           HA       THR 102  -8.355   1.678  -5.823
  743    HB   THR 102           HB       THR 102 -10.468   0.457  -5.997
  744    HG1  THR 102           HG1      THR 102 -11.692   1.878  -7.304
  745   1HG2  THR 102          1HG2      THR 102 -10.629   2.746  -3.973
  746   2HG2  THR 102          2HG2      THR 102 -11.819   1.423  -4.034
  747   3HG2  THR 102          3HG2      THR 102 -10.114   1.070  -3.665
  748    H    GLY 103           H        GLY 103  -8.720   4.359  -7.569
  749   1HA   GLY 103          2HA       GLY 103  -8.549   4.877  -9.750
  750   2HA   GLY 103          1HA       GLY 103  -9.574   3.501 -10.106
  751    H    CYS 104           H        CYS 104  -8.679   1.932 -11.365
  752    HA   CYS 104           HA       CYS 104  -6.192   0.817 -10.867
  753   1HB   CYS 104          1HB       CYS 104  -8.301   0.566 -12.874
  754   2HB   CYS 104          2HB       CYS 104  -6.703   0.293 -13.541
  755    H    LYS 105           H        LYS 105  -7.285   3.043 -13.540
  756    HA   LYS 105           HA       LYS 105  -4.503   3.979 -13.694
  757   1HB   LYS 105          1HB       LYS 105  -4.873   2.686 -15.652
  758   2HB   LYS 105          2HB       LYS 105  -6.465   3.369 -15.910
  759   1HG   LYS 105          1HG       LYS 105  -5.095   5.678 -15.986
  760   2HG   LYS 105          2HG       LYS 105  -3.761   4.619 -16.397
  761   1HD   LYS 105          1HD       LYS 105  -4.931   3.750 -18.342
  762   2HD   LYS 105          2HD       LYS 105  -6.437   4.501 -17.854
  763   1HE   LYS 105          1HE       LYS 105  -5.473   6.754 -18.195
  764   2HE   LYS 105          2HE       LYS 105  -3.906   6.061 -18.562
  765   1HZ   LYS 105          1HZ       LYS 105  -6.330   5.468 -20.110
  766   2HZ   LYS 105          2HZ       LYS 105  -5.258   6.631 -20.517
  767   3HZ   LYS 105          3HZ       LYS 105  -4.795   5.065 -20.495
  768    H    GLY 106           H        GLY 106  -4.175   6.200 -13.736
  769   1HA   GLY 106          2HA       GLY 106  -6.309   8.038 -14.217
  770   2HA   GLY 106          1HA       GLY 106  -4.685   8.402 -13.670
  771    H    SER 107           H        SER 107  -4.577   6.774 -11.300
  772    HA   SER 107           HA       SER 107  -6.671   8.060  -9.727
  773   1HB   SER 107          1HB       SER 107  -6.706   6.197  -8.253
  774   2HB   SER 107          2HB       SER 107  -6.651   5.491  -9.856
  775    HG   SER 107           HG       SER 107  -4.971   4.411  -9.066
  776    H    ALA 108           H        ALA 108  -5.760   8.011  -7.200
  777    HA   ALA 108           HA       ALA 108  -3.576   9.830  -7.267
  778   1HB   ALA 108          1HB       ALA 108  -4.118  10.212  -5.037
  779   2HB   ALA 108          3HB       ALA 108  -5.672   9.618  -5.670
  780   3HB   ALA 108          2HB       ALA 108  -4.606   8.524  -4.756
  781    H    CYS 109           H        CYS 109  -3.806   6.427  -7.397
  782    HA   CYS 109           HA       CYS 109  -1.298   6.058  -5.974
  783   1HB   CYS 109          1HB       CYS 109  -3.343   4.102  -7.056
  784   2HB   CYS 109          2HB       CYS 109  -1.781   3.599  -6.441
  785    H    HIS 110           H        HIS 110  -2.899   5.541  -9.188
  786    HA   HIS 110           HA       HIS 110  -0.209   5.458 -10.349
  787   1HB   HIS 110          1HB       HIS 110  -2.718   4.047 -11.298
  788   2HB   HIS 110          2HB       HIS 110  -1.191   4.071 -12.158
  789    HD1  HIS 110           HD1      HIS 110   0.878   3.365 -10.114
  790    HD2  HIS 110           HD2      HIS 110  -2.927   1.601 -10.125
  791    HE1  HIS 110           HE1      HIS 110   1.109   1.162  -8.849
  792    HA   PRO 111           HA       PRO 111  -2.200   9.116 -12.145
  793   1HB   PRO 111          1HB       PRO 111  -0.441  10.994 -11.368
  794   2HB   PRO 111          2HB       PRO 111  -1.539  10.239 -10.167
  795   1HG   PRO 111          2HG       PRO 111   1.094   9.610 -10.999
  796   2HG   PRO 111          1HG       PRO 111   0.964   9.573  -9.210
  797   1HD   PRO 111          1HD       PRO 111   1.029   7.268 -10.614
  798   2HD   PRO 111          2HD       PRO 111  -0.148   7.445  -9.277
  799    H    SER 112           H        SER 112  -1.422   7.604 -14.079
  800    HA   SER 112           HA       SER 112   0.716   9.094 -15.354
  801   1HB   SER 112          1HB       SER 112   0.812   6.287 -14.557
  802   2HB   SER 112          2HB       SER 112   0.953   6.426 -16.298
  803    HG   SER 112           HG       SER 112   2.995   6.943 -15.941

  No H/Q in entry =         803
  Start of MODEL   11
    1    H1   VAL   1           H1       VAL   1   7.892   8.096  17.441
    2    H2   VAL   1           H2       VAL   1   9.045   7.264  18.290
    3    H3   VAL   1           H3       VAL   1   8.976   8.916  18.387
    4    HA   VAL   1           HA       VAL   1  10.737   8.491  17.037
    5    HB   VAL   1           HB       VAL   1  10.529   6.233  16.557
    6   1HG1  VAL   1          1HG1      VAL   1   7.748   6.922  15.651
    7   2HG1  VAL   1          2HG1      VAL   1   8.539   5.456  15.024
    8   3HG1  VAL   1          3HG1      VAL   1   8.300   5.658  16.776
    9   1HG2  VAL   1          1HG2      VAL   1  11.340   7.741  14.628
   10   2HG2  VAL   1          2HG2      VAL   1  10.925   6.052  14.249
   11   3HG2  VAL   1          3HG2      VAL   1   9.783   7.359  13.854
   12    H    ASP   2           H        ASP   2   7.545   9.563  16.804
   13    HA   ASP   2           HA       ASP   2   6.585  11.180  15.727
   14   1HB   ASP   2          1HB       ASP   2   8.676  12.455  16.167
   15   2HB   ASP   2          2HB       ASP   2   9.393  11.814  14.702
   16    H    VAL   3           H        VAL   3   5.266  10.767  13.947
   17    HA   VAL   3           HA       VAL   3   5.899   8.930  11.992
   18    HB   VAL   3           HB       VAL   3   3.675  10.131  12.817
   19   1HG1  VAL   3          1HG1      VAL   3   4.207  12.311  11.837
   20   2HG1  VAL   3          2HG1      VAL   3   4.328  11.571  10.223
   21   3HG1  VAL   3          3HG1      VAL   3   2.763  11.608  11.070
   22   1HG2  VAL   3          1HG2      VAL   3   4.222   8.852  10.128
   23   2HG2  VAL   3          2HG2      VAL   3   3.577   8.097  11.605
   24   3HG2  VAL   3          3HG2      VAL   3   2.580   9.251  10.688
   25    HA   PRO   4           HA       PRO   4   9.103  10.925   9.694
   26   1HB   PRO   4          1HB       PRO   4   7.870   9.099   7.602
   27   2HB   PRO   4          2HB       PRO   4   9.585   9.361   8.058
   28   1HG   PRO   4          1HG       PRO   4   8.381   7.178   9.077
   29   2HG   PRO   4          2HG       PRO   4   9.558   8.147  10.022
   30   1HD   PRO   4          2HD       PRO   4   6.528   8.034  10.168
   31   2HD   PRO   4          1HD       PRO   4   7.716   8.317  11.476
   32    H    ALA   5           H        ALA   5   9.210  12.215   7.573
   33    HA   ALA   5           HA       ALA   5   6.957  13.908   7.429
   34   1HB   ALA   5          1HB       ALA   5   8.253  14.979   5.606
   35   2HB   ALA   5          3HB       ALA   5   9.384  13.605   5.613
   36   3HB   ALA   5          2HB       ALA   5   9.264  14.666   7.037
   37    H    ASP   6           H        ASP   6   5.474  14.228   5.662
   38    HA   ASP   6           HA       ASP   6   4.683  11.765   4.525
   39   1HB   ASP   6          1HB       ASP   6   2.721  12.884   3.946
   40   2HB   ASP   6          2HB       ASP   6   3.274  13.880   5.278
   41    H    GLY   7           H        GLY   7   3.865  12.169   1.958
   42   1HA   GLY   7          2HA       GLY   7   5.603  13.706   0.324
   43   2HA   GLY   7          1HA       GLY   7   4.471  12.472  -0.191
   44    H    ALA   8           H        ALA   8   5.499  10.251   1.377
   45    HA   ALA   8           HA       ALA   8   8.284  10.011   0.631
   46   1HB   ALA   8          1HB       ALA   8   6.705   9.058   2.712
   47   2HB   ALA   8          3HB       ALA   8   6.912   7.628   1.671
   48   3HB   ALA   8          2HB       ALA   8   8.339   8.487   2.298
   49    H    LYS   9           H        LYS   9   8.802   9.482  -1.430
   50    HA   LYS   9           HA       LYS   9   6.878   8.325  -3.165
   51   1HB   LYS   9          2HB       LYS   9   8.356   8.816  -4.832
   52   2HB   LYS   9          1HB       LYS   9   8.931   9.930  -3.608
   53   1HG   LYS   9          2HG       LYS   9  10.971   8.954  -3.800
   54   2HG   LYS   9          1HG       LYS   9  10.295   7.541  -3.013
   55   1HD   LYS   9          1HD       LYS   9  10.470   6.333  -4.923
   56   2HD   LYS   9          2HD       LYS   9   9.492   7.498  -5.794
   57   1HE   LYS   9          1HE       LYS   9  11.740   7.259  -6.830
   58   2HE   LYS   9          2HE       LYS   9  11.481   8.893  -6.251
   59   1HZ   LYS   9          1HZ       LYS   9  12.882   6.824  -4.706
   60   2HZ   LYS   9          2HZ       LYS   9  13.634   7.942  -5.629
   61   3HZ   LYS   9          3HZ       LYS   9  12.762   8.409  -4.330
   62    H    ILE  10           H        ILE  10   6.806   6.221  -4.061
   63    HA   ILE  10           HA       ILE  10   8.493   4.269  -2.661
   64    HB   ILE  10           HB       ILE  10   5.567   3.929  -3.322
   65   1HG1  ILE  10          1HG1      ILE  10   6.648   4.166  -0.527
   66   2HG1  ILE  10          2HG1      ILE  10   6.287   5.615  -1.444
   67   1HG2  ILE  10          1HG2      ILE  10   7.619   2.047  -2.788
   68   2HG2  ILE  10          2HG2      ILE  10   6.570   2.111  -1.352
   69   3HG2  ILE  10          3HG2      ILE  10   5.869   1.765  -2.951
   70   1HD1  ILE  10          1HD1      ILE  10   4.228   3.404  -1.353
   71   2HD1  ILE  10          2HD1      ILE  10   4.410   4.488   0.047
   72   3HD1  ILE  10          3HD1      ILE  10   3.990   5.157  -1.548
   73    H    ASP  11           H        ASP  11   9.680   3.042  -4.023
   74    HA   ASP  11           HA       ASP  11   8.558   2.280  -6.526
   75   1HB   ASP  11          1HB       ASP  11   9.441   4.358  -7.314
   76   2HB   ASP  11          2HB       ASP  11  10.875   4.229  -6.314
   77    H    PHE  12           H        PHE  12   8.923   0.114  -5.728
   78    HA   PHE  12           HA       PHE  12  11.748  -0.555  -5.283
   79   1HB   PHE  12          1HB       PHE  12   9.132  -1.869  -4.328
   80   2HB   PHE  12          2HB       PHE  12  10.734  -2.451  -3.921
   81    HD1  PHE  12           HD1      PHE  12  12.122   0.096  -3.300
   82    HD2  PHE  12           HD2      PHE  12   8.223  -1.232  -2.282
   83    HE1  PHE  12           HE1      PHE  12  12.146   1.578  -1.275
   84    HE2  PHE  12           HE2      PHE  12   8.247   0.250  -0.257
   85    HZ   PHE  12           HZ       PHE  12  10.208   1.637   0.223
   86    H    ILE  13           H        ILE  13   8.773  -1.174  -7.086
   87    HA   ILE  13           HA       ILE  13  10.040  -3.496  -8.344
   88    HB   ILE  13           HB       ILE  13   7.172  -2.564  -8.246
   89   1HG1  ILE  13          1HG1      ILE  13   8.346  -5.140  -7.188
   90   2HG1  ILE  13          2HG1      ILE  13   8.255  -3.687  -6.213
   91   1HG2  ILE  13          1HG2      ILE  13   8.412  -4.873  -9.762
   92   2HG2  ILE  13          2HG2      ILE  13   6.668  -4.685  -9.457
   93   3HG2  ILE  13          3HG2      ILE  13   7.537  -3.476 -10.434
   94   1HD1  ILE  13          1HD1      ILE  13   5.739  -4.429  -7.648
   95   2HD1  ILE  13          2HD1      ILE  13   6.249  -5.523  -6.340
   96   3HD1  ILE  13          3HD1      ILE  13   5.965  -3.800  -5.998
   97    H    ALA  14           H        ALA  14  11.383  -2.785  -9.944
   98    HA   ALA  14           HA       ALA  14  10.541  -0.518 -11.548
   99   1HB   ALA  14          1HB       ALA  14  13.065  -2.075 -11.076
  100   2HB   ALA  14          2HB       ALA  14  12.888  -1.200 -12.616
  101   3HB   ALA  14          3HB       ALA  14  12.795  -0.316 -11.073
  102    H    GLY  15           H        GLY  15  10.132  -0.619 -13.802
  103   1HA   GLY  15          2HA       GLY  15   9.056  -3.157 -14.678
  104   2HA   GLY  15          1HA       GLY  15  10.476  -2.631 -15.560
  105    H    GLY  16           H        GLY  16   8.322  -2.835 -17.122
  106   1HA   GLY  16          2HA       GLY  16   6.602  -0.571 -17.150
  107   2HA   GLY  16          1HA       GLY  16   6.824  -1.759 -18.419
  108    H    GLU  17           H        GLU  17   6.482   0.649 -19.443
  109    HA   GLU  17           HA       GLU  17   8.585   1.153 -20.989
  110   1HB   GLU  17          1HB       GLU  17   6.389   2.160 -21.361
  111   2HB   GLU  17          2HB       GLU  17   6.541   3.144 -19.919
  112   1HG   GLU  17          1HG       GLU  17   8.779   3.991 -21.132
  113   2HG   GLU  17          2HG       GLU  17   7.953   3.434 -22.573
  114    H    LYS  18           H        LYS  18   8.132   2.188 -17.622
  115    HA   LYS  18           HA       LYS  18  10.894   3.043 -17.576
  116   1HB   LYS  18          1HB       LYS  18  10.118   5.169 -16.305
  117   2HB   LYS  18          2HB       LYS  18  10.121   5.166 -18.057
  118   1HG   LYS  18          2HG       LYS  18   7.896   5.591 -18.085
  119   2HG   LYS  18          1HG       LYS  18   7.582   4.107 -17.208
  120   1HD   LYS  18          2HD       LYS  18   6.847   5.443 -15.515
  121   2HD   LYS  18          1HD       LYS  18   8.539   5.760 -15.188
  122   1HE   LYS  18          1HE       LYS  18   7.404   7.424 -17.378
  123   2HE   LYS  18          2HE       LYS  18   6.653   7.696 -15.818
  124   1HZ   LYS  18          1HZ       LYS  18   9.376   7.539 -15.403
  125   2HZ   LYS  18          2HZ       LYS  18   9.161   8.526 -16.686
  126   3HZ   LYS  18          3HZ       LYS  18   8.421   8.857 -15.269
  127    H    ASN  19           H        ASN  19   8.020   3.519 -15.413
  128    HA   ASN  19           HA       ASN  19   8.217   1.342 -13.893
  129   1HB   ASN  19          1HB       ASN  19   9.567   2.503 -11.861
  130   2HB   ASN  19          2HB       ASN  19  10.391   1.531 -13.064
  131   2HD2  ASN  19          2HD2      ASN  19   9.125   4.852 -12.758
  132   1HD2  ASN  19          1HD2      ASN  19  10.524   5.676 -13.362
  133    H    LEU  20           H        LEU  20   6.373   1.525 -12.587
  134    HA   LEU  20           HA       LEU  20   5.110   4.075 -12.389
  135   1HB   LEU  20          1HB       LEU  20   4.430   1.299 -11.438
  136   2HB   LEU  20          2HB       LEU  20   3.440   2.690 -11.041
  137    HG   LEU  20           HG       LEU  20   3.944   1.451 -13.742
  138   1HD1  LEU  20          1HD1      LEU  20   1.491   2.022 -12.073
  139   2HD1  LEU  20          2HD1      LEU  20   1.413   1.580 -13.796
  140   3HD1  LEU  20          3HD1      LEU  20   2.123   0.449 -12.618
  141   1HD2  LEU  20          1HD2      LEU  20   2.921   4.236 -13.162
  142   2HD2  LEU  20          2HD2      LEU  20   4.268   3.747 -14.219
  143   3HD2  LEU  20          3HD2      LEU  20   2.591   3.371 -14.682
  144    H    THR  21           H        THR  21   5.025   5.483 -10.677
  145    HA   THR  21           HA       THR  21   6.391   4.603  -8.220
  146    HB   THR  21           HB       THR  21   6.498   7.469  -9.182
  147    HG1  THR  21           HG1      THR  21   8.198   5.222 -10.003
  148   1HG2  THR  21          1HG2      THR  21   7.704   6.004  -7.093
  149   2HG2  THR  21          2HG2      THR  21   8.970   6.099  -8.341
  150   3HG2  THR  21          3HG2      THR  21   8.240   7.590  -7.698
  151    H    VAL  22           H        VAL  22   5.124   4.606  -6.481
  152    HA   VAL  22           HA       VAL  22   2.683   6.214  -6.638
  153    HB   VAL  22           HB       VAL  22   3.469   3.829  -4.956
  154   1HG1  VAL  22          1HG1      VAL  22   2.055   5.349  -3.650
  155   2HG1  VAL  22          2HG1      VAL  22   0.857   5.379  -4.966
  156   3HG1  VAL  22          3HG1      VAL  22   1.172   3.866  -4.083
  157   1HG2  VAL  22          1HG2      VAL  22   2.805   3.662  -7.491
  158   2HG2  VAL  22          2HG2      VAL  22   2.113   2.527  -6.307
  159   3HG2  VAL  22          3HG2      VAL  22   1.156   3.918  -6.872
  160    H    VAL  23           H        VAL  23   2.055   7.557  -4.841
  161    HA   VAL  23           HA       VAL  23   4.368   8.343  -3.208
  162    HB   VAL  23           HB       VAL  23   2.066   9.909  -4.370
  163   1HG1  VAL  23          1HG1      VAL  23   3.555  10.398  -1.899
  164   2HG1  VAL  23          2HG1      VAL  23   3.692  11.740  -3.060
  165   3HG1  VAL  23          3HG1      VAL  23   2.087  11.185  -2.527
  166   1HG2  VAL  23          1HG2      VAL  23   4.536   9.352  -5.413
  167   2HG2  VAL  23          2HG2      VAL  23   3.556  10.781  -5.820
  168   3HG2  VAL  23          3HG2      VAL  23   4.837  10.901  -4.590
  169    H    PHE  24           H        PHE  24   4.070   8.664  -0.966
  170    HA   PHE  24           HA       PHE  24   1.427   7.919   0.047
  171   1HB   PHE  24          1HB       PHE  24   3.092   5.979   0.044
  172   2HB   PHE  24          2HB       PHE  24   4.198   6.959   0.986
  173    HD1  PHE  24           HD1      PHE  24   0.567   6.077   1.214
  174    HD2  PHE  24           HD2      PHE  24   4.314   6.335   3.190
  175    HE1  PHE  24           HE1      PHE  24  -0.491   5.237   3.330
  176    HE2  PHE  24           HE2      PHE  24   3.256   5.495   5.306
  177    HZ   PHE  24           HZ       PHE  24   0.867   4.955   5.350
  178    H    ASN  25           H        ASN  25   0.865   8.857   2.079
  179    HA   ASN  25           HA       ASN  25   2.834  10.722   3.120
  180   1HB   ASN  25          1HB       ASN  25   0.360  12.011   3.506
  181   2HB   ASN  25          2HB       ASN  25   1.579  12.468   2.333
  182   2HD2  ASN  25          2HD2      ASN  25   1.140  12.355   0.250
  183   1HD2  ASN  25          1HD2      ASN  25  -0.242  11.604  -0.475
  184    H    HIS  26           H        HIS  26   2.989  10.432   5.356
  185    HA   HIS  26           HA       HIS  26   1.223   8.608   6.621
  186   1HB   HIS  26          1HB       HIS  26   3.691  10.112   7.329
  187   2HB   HIS  26          2HB       HIS  26   2.662   9.631   8.663
  188    HD1  HIS  26           HD1      HIS  26   4.885   8.223   5.969
  189    HD2  HIS  26           HD2      HIS  26   2.539   6.846   9.162
  190    HE1  HIS  26           HE1      HIS  26   5.520   5.777   6.319
  191    H    SER  27           H        SER  27   1.220  12.026   6.022
  192    HA   SER  27           HA       SER  27  -0.369  12.611   8.330
  193   1HB   SER  27          1HB       SER  27  -0.485  14.916   7.255
  194   2HB   SER  27          2HB       SER  27   1.129  14.351   7.640
  195    HG   SER  27           HG       SER  27   0.180  15.137   5.242
  196    H    THR  28           H        THR  28  -1.086  10.775   5.811
  197    HA   THR  28           HA       THR  28  -3.647  12.084   5.192
  198    HB   THR  28           HB       THR  28  -1.944   9.995   3.742
  199    HG1  THR  28           HG1      THR  28  -1.591  12.464   3.762
  200   1HG2  THR  28          1HG2      THR  28  -4.786  10.324   3.609
  201   2HG2  THR  28          2HG2      THR  28  -4.115  11.161   2.189
  202   3HG2  THR  28          3HG2      THR  28  -3.752   9.440   2.461
  203    H    HIS  29           H        HIS  29  -2.099   9.064   6.360
  204    HA   HIS  29           HA       HIS  29  -4.777   8.071   6.965
  205   1HB   HIS  29          1HB       HIS  29  -2.142   6.578   7.023
  206   2HB   HIS  29          2HB       HIS  29  -3.744   5.888   7.192
  207    HD1  HIS  29           HD1      HIS  29  -1.390   7.334   4.619
  208    HD2  HIS  29           HD2      HIS  29  -5.167   5.518   4.786
  209    HE1  HIS  29           HE1      HIS  29  -2.022   6.778   2.211
  210    H    LYS  30           H        LYS  30  -3.259  10.275   8.409
  211    HA   LYS  30           HA       LYS  30  -2.192   9.330  10.783
  212   1HB   LYS  30          1HB       LYS  30  -2.433  11.572  11.584
  213   2HB   LYS  30          2HB       LYS  30  -2.004  11.644   9.887
  214   1HG   LYS  30          1HG       LYS  30  -4.269  12.168   9.229
  215   2HG   LYS  30          2HG       LYS  30  -4.907  11.734  10.802
  216   1HD   LYS  30          1HD       LYS  30  -2.840  13.793  11.065
  217   2HD   LYS  30          2HD       LYS  30  -4.083  14.310   9.943
  218   1HE   LYS  30          1HE       LYS  30  -5.615  13.211  11.975
  219   2HE   LYS  30          2HE       LYS  30  -4.258  13.853  12.880
  220   1HZ   LYS  30          1HZ       LYS  30  -4.724  15.880  11.302
  221   2HZ   LYS  30          2HZ       LYS  30  -6.236  15.262  11.323
  222   3HZ   LYS  30          3HZ       LYS  30  -5.511  15.693  12.721
  223    H    ASP  31           H        ASP  31  -5.452   9.260   9.585
  224    HA   ASP  31           HA       ASP  31  -6.573   9.145  12.221
  225   1HB   ASP  31          1HB       ASP  31  -8.030  10.178  10.675
  226   2HB   ASP  31          2HB       ASP  31  -7.626   9.057   9.390
  227    H    VAL  32           H        VAL  32  -4.773   7.081  10.325
  228    HA   VAL  32           HA       VAL  32  -6.323   4.711  11.109
  229    HB   VAL  32           HB       VAL  32  -4.234   5.024   8.944
  230   1HG1  VAL  32          1HG1      VAL  32  -6.049   2.702   9.675
  231   2HG1  VAL  32          2HG1      VAL  32  -5.042   2.789   8.210
  232   3HG1  VAL  32          3HG1      VAL  32  -4.276   2.761   9.816
  233   1HG2  VAL  32          1HG2      VAL  32  -7.035   5.705   8.970
  234   2HG2  VAL  32          2HG2      VAL  32  -5.844   5.874   7.658
  235   3HG2  VAL  32          3HG2      VAL  32  -6.753   4.356   7.844
  236    H    LYS  33           H        LYS  33  -5.434   3.287  12.552
  237    HA   LYS  33           HA       LYS  33  -3.349   4.058  14.161
  238   1HB   LYS  33          2HB       LYS  33  -4.357   1.251  13.604
  239   2HB   LYS  33          1HB       LYS  33  -3.384   1.732  14.980
  240   1HG   LYS  33          1HG       LYS  33  -5.772   3.443  14.607
  241   2HG   LYS  33          2HG       LYS  33  -6.176   1.758  14.870
  242   1HD   LYS  33          1HD       LYS  33  -4.854   1.709  16.948
  243   2HD   LYS  33          2HD       LYS  33  -4.264   3.333  16.657
  244   1HE   LYS  33          1HE       LYS  33  -6.436   4.309  17.015
  245   2HE   LYS  33          2HE       LYS  33  -7.246   2.761  16.872
  246   1HZ   LYS  33          1HZ       LYS  33  -6.029   2.083  18.889
  247   2HZ   LYS  33          2HZ       LYS  33  -5.468   3.608  19.049
  248   3HZ   LYS  33          3HZ       LYS  33  -7.072   3.314  19.144
  249    H    CYS  34           H        CYS  34  -1.167   3.095  14.443
  250    HA   CYS  34           HA       CYS  34   0.198   3.155  11.960
  251   1HB   CYS  34          1HB       CYS  34   1.365   2.335  14.617
  252   2HB   CYS  34          2HB       CYS  34   2.198   3.007  13.229
  253    H    ASP  35           H        ASP  35  -0.744   0.673  14.404
  254    HA   ASP  35           HA       ASP  35   0.681  -1.409  13.241
  255   1HB   ASP  35          1HB       ASP  35  -0.927  -2.865  14.549
  256   2HB   ASP  35          2HB       ASP  35  -0.138  -1.627  15.505
  257    H    ASP  36           H        ASP  36  -1.988   0.406  12.130
  258    HA   ASP  36           HA       ASP  36  -3.617  -1.559  11.058
  259   1HB   ASP  36          1HB       ASP  36  -3.882   1.071  11.303
  260   2HB   ASP  36          2HB       ASP  36  -3.164   1.116   9.705
  261    H    CYS  37           H        CYS  37  -0.435  -0.401  10.232
  262    HA   CYS  37           HA       CYS  37  -0.592  -1.855   7.699
  263   1HB   CYS  37          1HB       CYS  37   0.784   0.812   8.155
  264   2HB   CYS  37          2HB       CYS  37   1.033  -0.194   6.742
  265    H    HIS  38           H        HIS  38   1.478  -0.405  10.306
  266    HA   HIS  38           HA       HIS  38   3.634  -2.177   9.701
  267   1HB   HIS  38          1HB       HIS  38   3.194  -0.301  12.042
  268   2HB   HIS  38          2HB       HIS  38   4.691  -1.138  11.679
  269    HD1  HIS  38           HD1      HIS  38   5.719  -0.521   9.163
  270    HD2  HIS  38           HD2      HIS  38   3.005   2.173  10.887
  271    HE1  HIS  38           HE1      HIS  38   6.034   1.694   7.936
  272    H    HIS  39           H        HIS  39   2.753  -4.296   9.879
  273    HA   HIS  39           HA       HIS  39   1.794  -4.995  12.546
  274   1HB   HIS  39          2HB       HIS  39   0.650  -6.787  11.594
  275   2HB   HIS  39          1HB       HIS  39   0.436  -5.484  10.441
  276    HD1  HIS  39           HD1      HIS  39   1.380  -8.965  10.610
  277    HD2  HIS  39           HD2      HIS  39   2.460  -5.705   8.201
  278    HE1  HIS  39           HE1      HIS  39   2.433  -9.949   8.505
  279    H    GLN  40           H        GLN  40   4.505  -4.419  12.450
  280    HA   GLN  40           HA       GLN  40   5.728  -7.056  12.274
  281   1HB   GLN  40          1HB       GLN  40   6.792  -4.244  11.984
  282   2HB   GLN  40          2HB       GLN  40   7.886  -5.511  12.501
  283   1HG   GLN  40          1HG       GLN  40   7.631  -5.033   9.932
  284   2HG   GLN  40          2HG       GLN  40   7.703  -6.697  10.476
  285   2HE2  GLN  40          2HE2      GLN  40   5.857  -7.968  10.529
  286   1HE2  GLN  40          1HE2      GLN  40   4.411  -7.572   9.661
  287    HA   PRO  41           HA       PRO  41   6.124  -7.562  16.594
  288   1HB   PRO  41          1HB       PRO  41   8.820  -8.380  16.695
  289   2HB   PRO  41          2HB       PRO  41   7.421  -9.425  16.286
  290   1HG   PRO  41          1HG       PRO  41   9.313  -8.073  14.406
  291   2HG   PRO  41          2HG       PRO  41   8.661  -9.742  14.320
  292   1HD   PRO  41          1HD       PRO  41   7.578  -7.762  12.824
  293   2HD   PRO  41          2HD       PRO  41   6.505  -8.929  13.655
  294    H    GLY  42           H        GLY  42   6.880  -6.392  18.465
  295   1HA   GLY  42          2HA       GLY  42   7.947  -4.762  19.605
  296   2HA   GLY  42          1HA       GLY  42   7.526  -3.772  18.222
  297    H    ASP  43           H        ASP  43   9.641  -2.695  19.060
  298    HA   ASP  43           HA       ASP  43  11.824  -2.425  19.032
  299   1HB   ASP  43          1HB       ASP  43  11.776  -5.171  18.996
  300   2HB   ASP  43          2HB       ASP  43  12.503  -4.863  17.431
  301    H    LYS  44           H        LYS  44  10.733  -4.324  16.110
  302    HA   LYS  44           HA       LYS  44  11.771  -2.133  14.450
  303   1HB   LYS  44          1HB       LYS  44  11.680  -5.112  13.908
  304   2HB   LYS  44          2HB       LYS  44  12.007  -3.914  12.673
  305   1HG   LYS  44          1HG       LYS  44  13.982  -3.106  13.899
  306   2HG   LYS  44          2HG       LYS  44  13.613  -4.147  15.259
  307   1HD   LYS  44          2HD       LYS  44  15.087  -5.577  14.230
  308   2HD   LYS  44          1HD       LYS  44  13.680  -6.029  13.288
  309   1HE   LYS  44          1HE       LYS  44  14.503  -3.869  11.833
  310   2HE   LYS  44          2HE       LYS  44  16.049  -4.369  12.490
  311   1HZ   LYS  44          1HZ       LYS  44  14.256  -6.322  11.260
  312   2HZ   LYS  44          2HZ       LYS  44  15.265  -5.421  10.345
  313   3HZ   LYS  44          3HZ       LYS  44  15.870  -6.422  11.485
  314    H    GLN  45           H        GLN  45   9.132  -2.368  15.826
  315    HA   GLN  45           HA       GLN  45   7.101  -3.311  14.431
  316   1HB   GLN  45          1HB       GLN  45   6.958  -1.932  16.520
  317   2HB   GLN  45          2HB       GLN  45   7.222  -0.483  15.570
  318   1HG   GLN  45          1HG       GLN  45   5.141  -0.765  14.371
  319   2HG   GLN  45          2HG       GLN  45   4.943  -2.407  14.951
  320   2HE2  GLN  45          2HE2      GLN  45   2.823  -1.541  15.547
  321   1HE2  GLN  45          1HE2      GLN  45   2.613  -0.785  17.091
  322    H    TYR  46           H        TYR  46   9.031  -0.450  13.622
  323    HA   TYR  46           HA       TYR  46   7.521  -0.157  11.075
  324   1HB   TYR  46          2HB       TYR  46   9.512   1.792  12.248
  325   2HB   TYR  46          1HB       TYR  46   8.265   2.090  11.025
  326    HD1  TYR  46           HD1      TYR  46   5.848   2.121  11.699
  327    HD2  TYR  46           HD2      TYR  46   9.035   1.962  14.574
  328    HE1  TYR  46           HE1      TYR  46   4.281   2.856  13.475
  329    HE2  TYR  46           HE2      TYR  46   7.469   2.698  16.351
  330    HH   TYR  46           HH       TYR  46   4.926   4.178  16.148
  331    H    ALA  47           H        ALA  47   8.587  -1.916   9.922
  332    HA   ALA  47           HA       ALA  47  11.378  -1.241   9.299
  333   1HB   ALA  47          1HB       ALA  47  11.278  -3.207  10.793
  334   2HB   ALA  47          3HB       ALA  47  10.167  -4.013   9.660
  335   3HB   ALA  47          2HB       ALA  47  11.841  -3.661   9.167
  336    H    GLY  48           H        GLY  48  11.878  -2.875   7.196
  337   1HA   GLY  48          2HA       GLY  48  11.606  -2.881   4.954
  338   2HA   GLY  48          1HA       GLY  48  10.312  -1.710   5.117
  339    H    CYS  49           H        CYS  49   8.788  -2.665   3.737
  340    HA   CYS  49           HA       CYS  49   7.385  -4.880   4.864
  341   1HB   CYS  49          1HB       CYS  49   6.871  -3.543   2.206
  342   2HB   CYS  49          2HB       CYS  49   5.757  -4.507   3.155
  343    H    THR  50           H        THR  50   9.650  -4.192   2.178
  344    HA   THR  50           HA       THR  50   9.356  -6.897   1.140
  345    HB   THR  50           HB       THR  50  10.612  -6.031  -0.730
  346    HG1  THR  50           HG1      THR  50  11.274  -4.045   1.315
  347   1HG2  THR  50          1HG2      THR  50   8.326  -4.895  -0.430
  348   2HG2  THR  50          2HG2      THR  50   9.185  -3.560   0.375
  349   3HG2  THR  50          3HG2      THR  50   9.522  -3.935  -1.333
  350    H    THR  51           H        THR  51  10.489  -6.173   3.912
  351    HA   THR  51           HA       THR  51  13.263  -6.708   3.795
  352    HB   THR  51           HB       THR  51  11.288  -7.150   6.092
  353    HG1  THR  51           HG1      THR  51  12.762  -4.825   5.067
  354   1HG2  THR  51          1HG2      THR  51  13.720  -7.837   6.457
  355   2HG2  THR  51          2HG2      THR  51  14.187  -6.165   6.065
  356   3HG2  THR  51          3HG2      THR  51  13.187  -6.496   7.500
  357    H    ASP  52           H        ASP  52  14.394  -8.626   4.582
  358    HA   ASP  52           HA       ASP  52  13.690 -10.837   3.168
  359   1HB   ASP  52          1HB       ASP  52  15.923 -10.234   4.321
  360   2HB   ASP  52          2HB       ASP  52  15.241 -10.893   5.794
  361    H    GLY  53           H        GLY  53  12.908 -13.006   3.941
  362   1HA   GLY  53          2HA       GLY  53  11.947 -13.541   6.494
  363   2HA   GLY  53          1HA       GLY  53  11.447 -14.334   5.013
  364    H    CYS  54           H        CYS  54  10.706 -11.380   4.054
  365    HA   CYS  54           HA       CYS  54   8.071 -11.465   5.323
  366   1HB   CYS  54          2HB       CYS  54   9.469  -8.883   4.576
  367   2HB   CYS  54          1HB       CYS  54   7.965  -9.076   5.456
  368    H    HIS  55           H        HIS  55   7.797  -8.885   3.428
  369    HA   HIS  55           HA       HIS  55   6.913 -10.465   1.176
  370   1HB   HIS  55          2HB       HIS  55   6.600  -7.484   1.550
  371   2HB   HIS  55          1HB       HIS  55   5.659  -8.552   0.529
  372    HD1  HIS  55           HD1      HIS  55   4.057 -10.316   1.842
  373    HD2  HIS  55           HD2      HIS  55   5.621  -7.154   4.112
  374    HE1  HIS  55           HE1      HIS  55   2.641 -10.189   3.961
  375    H    ASN  56           H        ASN  56   9.682 -10.565   1.392
  376    HA   ASN  56           HA       ASN  56  10.803  -8.482  -0.185
  377   1HB   ASN  56          1HB       ASN  56  12.136  -9.651   1.569
  378   2HB   ASN  56          2HB       ASN  56  11.925 -11.181   0.738
  379   2HD2  ASN  56          2HD2      ASN  56  14.354  -9.749   1.437
  380   1HD2  ASN  56          1HD2      ASN  56  15.241  -9.474  -0.025
  381    H    ILE  57           H        ILE  57   9.050  -9.024  -1.961
  382    HA   ILE  57           HA       ILE  57  10.246 -10.967  -3.793
  383    HB   ILE  57           HB       ILE  57   7.284 -10.689  -3.276
  384   1HG1  ILE  57          1HG1      ILE  57   8.783 -11.815  -1.471
  385   2HG1  ILE  57          2HG1      ILE  57   7.308 -12.603  -1.993
  386   1HG2  ILE  57          1HG2      ILE  57   7.915 -11.241  -5.610
  387   2HG2  ILE  57          2HG2      ILE  57   8.781 -12.674  -5.008
  388   3HG2  ILE  57          3HG2      ILE  57   7.019 -12.544  -4.793
  389   1HD1  ILE  57          1HD1      ILE  57  10.069 -13.200  -3.152
  390   2HD1  ILE  57          2HD1      ILE  57   9.269 -14.168  -1.890
  391   3HD1  ILE  57          3HD1      ILE  57   8.558 -14.066  -3.519
  392    H    LEU  58           H        LEU  58  11.056  -9.723  -5.398
  393    HA   LEU  58           HA       LEU  58   9.526  -7.344  -6.143
  394   1HB   LEU  58          1HB       LEU  58  12.375  -8.143  -6.756
  395   2HB   LEU  58          2HB       LEU  58  11.598  -6.665  -7.288
  396    HG   LEU  58           HG       LEU  58  12.264  -7.468  -4.447
  397   1HD1  LEU  58          1HD1      LEU  58  13.252  -5.215  -6.217
  398   2HD1  LEU  58          2HD1      LEU  58  13.664  -5.433  -4.499
  399   3HD1  LEU  58          3HD1      LEU  58  14.168  -6.650  -5.697
  400   1HD2  LEU  58          1HD2      LEU  58  10.243  -5.592  -5.442
  401   2HD2  LEU  58          2HD2      LEU  58  10.471  -6.291  -3.821
  402   3HD2  LEU  58          3HD2      LEU  58  11.407  -4.859  -4.312
  403    H    ASP  59           H        ASP  59   9.268 -10.458  -6.825
  404    HA   ASP  59           HA       ASP  59   9.388 -10.151  -9.702
  405   1HB   ASP  59          1HB       ASP  59   8.708 -12.683  -9.535
  406   2HB   ASP  59          2HB       ASP  59  10.348 -12.216  -9.134
  407    H    LYS  60           H        LYS  60   7.442  -8.575  -9.371
  408    HA   LYS  60           HA       LYS  60   5.041  -9.177  -8.323
  409   1HB   LYS  60          1HB       LYS  60   4.076  -7.660 -10.013
  410   2HB   LYS  60          2HB       LYS  60   5.541  -7.025  -9.290
  411   1HG   LYS  60          1HG       LYS  60   6.870  -7.696 -11.245
  412   2HG   LYS  60          2HG       LYS  60   5.498  -8.532 -11.945
  413   1HD   LYS  60          1HD       LYS  60   5.102  -5.633 -11.260
  414   2HD   LYS  60          2HD       LYS  60   6.163  -5.983 -12.611
  415   1HE   LYS  60          1HE       LYS  60   4.236  -7.567 -13.440
  416   2HE   LYS  60          2HE       LYS  60   3.227  -6.703 -12.297
  417   1HZ   LYS  60          1HZ       LYS  60   4.553  -4.750 -13.610
  418   2HZ   LYS  60          2HZ       LYS  60   4.238  -5.832 -14.792
  419   3HZ   LYS  60          3HZ       LYS  60   3.016  -5.218 -13.899
  420    H    ALA  61           H        ALA  61   3.174 -10.334  -8.874
  421    HA   ALA  61           HA       ALA  61   1.883 -11.763 -10.010
  422   1HB   ALA  61          1HB       ALA  61   3.902 -12.274 -12.168
  423   2HB   ALA  61          3HB       ALA  61   2.135 -12.087 -12.280
  424   3HB   ALA  61          2HB       ALA  61   3.170 -10.653 -12.077
  425    H    ASP  62           H        ASP  62   3.339 -12.537  -7.832
  426    HA   ASP  62           HA       ASP  62   4.532 -15.059  -8.660
  427   1HB   ASP  62          1HB       ASP  62   5.853 -13.380  -7.226
  428   2HB   ASP  62          2HB       ASP  62   4.709 -13.695  -5.936
  429    H    LYS  63           H        LYS  63   4.217 -16.761  -6.637
  430    HA   LYS  63           HA       LYS  63   1.406 -16.569  -5.808
  431   1HB   LYS  63          1HB       LYS  63   1.808 -18.171  -7.712
  432   2HB   LYS  63          2HB       LYS  63   2.829 -19.111  -6.643
  433   1HG   LYS  63          1HG       LYS  63   0.934 -19.410  -5.058
  434   2HG   LYS  63          2HG       LYS  63  -0.093 -18.420  -6.076
  435   1HD   LYS  63          1HD       LYS  63   0.212 -20.063  -7.955
  436   2HD   LYS  63          2HD       LYS  63   1.198 -21.062  -6.906
  437   1HE   LYS  63          1HE       LYS  63  -0.640 -21.614  -5.487
  438   2HE   LYS  63          2HE       LYS  63  -1.600 -20.258  -6.043
  439   1HZ   LYS  63          1HZ       LYS  63  -0.855 -22.046  -8.132
  440   2HZ   LYS  63          2HZ       LYS  63  -1.777 -22.753  -6.984
  441   3HZ   LYS  63          3HZ       LYS  63  -2.321 -21.426  -7.767
  442    H    SER  64           H        SER  64   2.112 -15.621  -3.802
  443    HA   SER  64           HA       SER  64   2.547 -17.518  -1.836
  444   1HB   SER  64          2HB       SER  64   4.818 -16.846  -1.052
  445   2HB   SER  64          1HB       SER  64   4.858 -17.621  -2.624
  446    HG   SER  64           HG       SER  64   5.104 -15.579  -3.635
  447    H    VAL  65           H        VAL  65   2.788 -16.420   0.379
  448    HA   VAL  65           HA       VAL  65   1.332 -13.916   0.280
  449    HB   VAL  65           HB       VAL  65   0.482 -15.640   1.704
  450   1HG1  VAL  65          1HG1      VAL  65   3.311 -15.997   2.404
  451   2HG1  VAL  65          2HG1      VAL  65   2.226 -16.007   3.814
  452   3HG1  VAL  65          3HG1      VAL  65   1.956 -17.149   2.475
  453   1HG2  VAL  65          1HG2      VAL  65   0.904 -13.068   2.502
  454   2HG2  VAL  65          2HG2      VAL  65  -0.047 -14.264   3.415
  455   3HG2  VAL  65          3HG2      VAL  65   1.655 -13.966   3.842
  456    H    ASN  66           H        ASN  66   3.990 -13.755  -0.741
  457    HA   ASN  66           HA       ASN  66   5.124 -12.070   1.340
  458   1HB   ASN  66          1HB       ASN  66   6.721 -13.859  -0.568
  459   2HB   ASN  66          2HB       ASN  66   7.411 -12.783   0.631
  460   2HD2  ASN  66          2HD2      ASN  66   6.458 -13.093   2.900
  461   1HD2  ASN  66          1HD2      ASN  66   6.345 -14.721   3.478
  462    H    SER  67           H        SER  67   3.520 -12.061  -1.451
  463    HA   SER  67           HA       SER  67   5.318 -10.684  -3.159
  464   1HB   SER  67          1HB       SER  67   2.949 -10.192  -4.320
  465   2HB   SER  67          2HB       SER  67   3.734 -11.754  -4.447
  466    HG   SER  67           HG       SER  67   1.526 -12.019  -3.826
  467    H    TRP  68           H        TRP  68   5.556  -8.452  -3.438
  468    HA   TRP  68           HA       TRP  68   4.220  -6.809  -1.441
  469   1HB   TRP  68          1HB       TRP  68   6.518  -6.463  -1.412
  470   2HB   TRP  68          2HB       TRP  68   6.661  -6.506  -3.158
  471    HD1  TRP  68           HD1      TRP  68   6.896  -4.146  -4.253
  472    HE1  TRP  68           HE1      TRP  68   6.411  -1.625  -3.641
  473    HE3  TRP  68           HE3      TRP  68   4.636  -5.113   0.198
  474    HZ2  TRP  68           HZ2      TRP  68   5.164  -0.347  -1.415
  475    HZ3  TRP  68           HZ3      TRP  68   3.813  -3.172   1.529
  476    HH2  TRP  68           HH2      TRP  68   4.047  -0.855   0.788
  477    H    TYR  69           H        TYR  69   3.193  -8.066  -4.101
  478    HA   TYR  69           HA       TYR  69   2.104  -5.532  -5.238
  479   1HB   TYR  69          1HB       TYR  69   3.580  -6.576  -6.837
  480   2HB   TYR  69          2HB       TYR  69   2.822  -8.156  -6.581
  481    HD1  TYR  69           HD1      TYR  69   0.311  -8.373  -7.179
  482    HD2  TYR  69           HD2      TYR  69   2.820  -5.162  -8.539
  483    HE1  TYR  69           HE1      TYR  69  -1.283  -7.907  -9.020
  484    HE2  TYR  69           HE2      TYR  69   1.226  -4.696 -10.380
  485    HH   TYR  69           HH       TYR  69  -0.692  -6.316 -11.687
  486    H    LYS  70           H        LYS  70   1.436  -8.440  -3.503
  487    HA   LYS  70           HA       LYS  70  -1.308  -8.487  -4.507
  488   1HB   LYS  70          1HB       LYS  70   0.230 -10.574  -4.264
  489   2HB   LYS  70          2HB       LYS  70  -0.126 -10.451  -2.553
  490   1HG   LYS  70          1HG       LYS  70  -2.602 -10.443  -3.124
  491   2HG   LYS  70          2HG       LYS  70  -2.176 -10.715  -4.802
  492   1HD   LYS  70          1HD       LYS  70  -2.661 -12.882  -3.857
  493   2HD   LYS  70          2HD       LYS  70  -0.924 -12.811  -4.076
  494   1HE   LYS  70          1HE       LYS  70  -1.406 -13.736  -1.859
  495   2HE   LYS  70          2HE       LYS  70  -0.652 -12.166  -1.666
  496   1HZ   LYS  70          1HZ       LYS  70  -3.405 -11.816  -1.864
  497   2HZ   LYS  70          2HZ       LYS  70  -3.124 -12.974  -0.747
  498   3HZ   LYS  70          3HZ       LYS  70  -2.434 -11.502  -0.589
  499    H    VAL  71           H        VAL  71   0.665  -8.099  -1.510
  500    HA   VAL  71           HA       VAL  71  -1.532  -7.721   0.191
  501    HB   VAL  71           HB       VAL  71   0.170  -6.747   1.705
  502   1HG1  VAL  71          1HG1      VAL  71   0.507  -9.392   0.345
  503   2HG1  VAL  71          2HG1      VAL  71   1.755  -8.869   1.500
  504   3HG1  VAL  71          3HG1      VAL  71   0.061  -9.017   2.027
  505   1HG2  VAL  71          1HG2      VAL  71   1.516  -6.098  -0.651
  506   2HG2  VAL  71          2HG2      VAL  71   2.140  -5.946   1.009
  507   3HG2  VAL  71          3HG2      VAL  71   2.484  -7.412   0.060
  508    H    VAL  72           H        VAL  72  -0.465  -5.881  -2.440
  509    HA   VAL  72           HA       VAL  72  -1.418  -3.390  -1.224
  510    HB   VAL  72           HB       VAL  72   0.205  -3.926  -3.719
  511   1HG1  VAL  72          1HG1      VAL  72  -1.305  -1.964  -3.944
  512   2HG1  VAL  72          2HG1      VAL  72  -0.560  -1.256  -2.491
  513   3HG1  VAL  72          3HG1      VAL  72   0.419  -1.521  -3.954
  514   1HG2  VAL  72          1HG2      VAL  72   1.344  -4.250  -1.482
  515   2HG2  VAL  72          2HG2      VAL  72   2.079  -3.027  -2.546
  516   3HG2  VAL  72          3HG2      VAL  72   1.064  -2.519  -1.175
  517    H    HIS  73           H        HIS  73  -1.760  -5.583  -4.077
  518    HA   HIS  73           HA       HIS  73  -4.240  -4.178  -4.707
  519   1HB   HIS  73          2HB       HIS  73  -2.684  -6.159  -6.392
  520   2HB   HIS  73          1HB       HIS  73  -4.080  -5.228  -6.899
  521    HD1  HIS  73           HD1      HIS  73  -0.392  -4.907  -6.199
  522    HD2  HIS  73           HD2      HIS  73  -3.572  -2.519  -7.532
  523    HE1  HIS  73           HE1      HIS  73   0.656  -2.769  -7.116
  524    H    ASP  74           H        ASP  74  -3.925  -5.992  -2.386
  525    HA   ASP  74           HA       ASP  74  -5.212  -8.405  -3.230
  526   1HB   ASP  74          1HB       ASP  74  -3.855  -7.376  -0.828
  527   2HB   ASP  74          2HB       ASP  74  -5.328  -8.230  -0.413
  528    H    ALA  75           H        ALA  75  -7.419  -8.212  -3.696
  529    HA   ALA  75           HA       ALA  75  -8.986  -6.193  -2.367
  530   1HB   ALA  75          1HB       ALA  75  -9.082  -7.763  -4.797
  531   2HB   ALA  75          3HB       ALA  75 -10.617  -7.927  -3.911
  532   3HB   ALA  75          2HB       ALA  75 -10.016  -6.312  -4.359
  533    H    LYS  76           H        LYS  76  -8.295  -9.657  -2.121
  534    HA   LYS  76           HA       LYS  76 -10.610 -10.308  -0.627
  535   1HB   LYS  76          1HB       LYS  76  -9.262 -11.931  -1.939
  536   2HB   LYS  76          2HB       LYS  76  -7.941 -11.738  -0.806
  537   1HG   LYS  76          1HG       LYS  76  -8.901 -13.438   0.367
  538   2HG   LYS  76          2HG       LYS  76 -10.073 -12.250   0.902
  539   1HD   LYS  76          1HD       LYS  76 -10.393 -13.892  -1.653
  540   2HD   LYS  76          2HD       LYS  76 -11.072 -14.369  -0.109
  541   1HE   LYS  76          1HE       LYS  76 -12.901 -13.154  -0.740
  542   2HE   LYS  76          2HE       LYS  76 -11.954 -11.750  -0.290
  543   1HZ   LYS  76          1HZ       LYS  76 -11.086 -11.832  -2.625
  544   2HZ   LYS  76          2HZ       LYS  76 -12.272 -12.904  -2.962
  545   3HZ   LYS  76          3HZ       LYS  76 -12.652 -11.396  -2.464
  546    H    GLY  77           H        GLY  77 -10.849 -10.618   1.640
  547   1HA   GLY  77          2HA       GLY  77 -10.640  -9.934   3.774
  548   2HA   GLY  77          1HA       GLY  77  -9.559  -8.667   3.230
  549    H    GLY  78           H        GLY  78  -9.341 -10.371   5.655
  550   1HA   GLY  78          2HA       GLY  78  -6.624 -11.366   5.158
  551   2HA   GLY  78          1HA       GLY  78  -7.804 -12.458   5.854
  552    H    ALA  79           H        ALA  79  -5.569 -11.933   7.356
  553    HA   ALA  79           HA       ALA  79  -6.543 -11.166   9.779
  554   1HB   ALA  79          1HB       ALA  79  -4.329 -11.333  10.515
  555   2HB   ALA  79          3HB       ALA  79  -3.671 -10.630   9.018
  556   3HB   ALA  79          2HB       ALA  79  -4.299 -12.295   9.017
  557    H    LYS  80           H        LYS  80  -5.631  -9.163   7.041
  558    HA   LYS  80           HA       LYS  80  -6.587  -6.851   8.431
  559   1HB   LYS  80          1HB       LYS  80  -4.322  -5.655   7.690
  560   2HB   LYS  80          2HB       LYS  80  -4.544  -6.354   9.281
  561   1HG   LYS  80          1HG       LYS  80  -3.507  -8.500   8.452
  562   2HG   LYS  80          2HG       LYS  80  -3.228  -7.741   6.897
  563   1HD   LYS  80          1HD       LYS  80  -2.019  -6.941   9.580
  564   2HD   LYS  80          2HD       LYS  80  -1.171  -7.582   8.186
  565   1HE   LYS  80          1HE       LYS  80  -1.912  -5.517   6.879
  566   2HE   LYS  80          2HE       LYS  80  -2.563  -4.869   8.372
  567   1HZ   LYS  80          1HZ       LYS  80   0.140  -5.806   8.550
  568   2HZ   LYS  80          2HZ       LYS  80  -0.067  -4.518   7.568
  569   3HZ   LYS  80          3HZ       LYS  80  -0.529  -4.435   9.132
  570    HA   PRO  81           HA       PRO  81  -7.687  -5.785   4.333
  571   1HB   PRO  81          1HB       PRO  81  -7.858  -3.054   4.510
  572   2HB   PRO  81          2HB       PRO  81  -8.967  -4.151   5.396
  573   1HG   PRO  81          1HG       PRO  81  -6.667  -2.725   6.302
  574   2HG   PRO  81          2HG       PRO  81  -8.197  -2.954   7.209
  575   1HD   PRO  81          1HD       PRO  81  -5.864  -4.403   7.686
  576   2HD   PRO  81          2HD       PRO  81  -7.502  -5.062   7.982
  577    H    THR  82           H        THR  82  -7.001  -3.688   2.666
  578    HA   THR  82           HA       THR  82  -4.077  -3.549   2.718
  579    HB   THR  82           HB       THR  82  -4.134  -4.185   0.246
  580    HG1  THR  82           HG1      THR  82  -6.316  -5.446  -0.069
  581   1HG2  THR  82          1HG2      THR  82  -5.103  -6.132   2.378
  582   2HG2  THR  82          2HG2      THR  82  -4.919  -6.654   0.686
  583   3HG2  THR  82          3HG2      THR  82  -3.508  -6.059   1.593
  584    H    CYS  83           H        CYS  83  -3.762  -2.278   0.225
  585    HA   CYS  83           HA       CYS  83  -4.643   0.323   0.993
  586   1HB   CYS  83          1HB       CYS  83  -3.271  -0.368  -1.595
  587   2HB   CYS  83          2HB       CYS  83  -3.250   1.147  -0.715
  588    H    ILE  84           H        ILE  84  -6.112  -2.286  -0.531
  589    HA   ILE  84           HA       ILE  84  -7.711  -0.527  -2.258
  590    HB   ILE  84           HB       ILE  84  -6.866  -3.393  -2.492
  591   1HG1  ILE  84          1HG1      ILE  84  -5.669  -1.355  -3.548
  592   2HG1  ILE  84          2HG1      ILE  84  -5.970  -2.773  -4.533
  593   1HG2  ILE  84          1HG2      ILE  84  -9.293  -2.137  -3.799
  594   2HG2  ILE  84          2HG2      ILE  84  -8.532  -3.659  -4.322
  595   3HG2  ILE  84          3HG2      ILE  84  -9.256  -3.537  -2.700
  596   1HD1  ILE  84          1HD1      ILE  84  -7.868  -0.387  -4.442
  597   2HD1  ILE  84          2HD1      ILE  84  -6.562  -0.559  -5.639
  598   3HD1  ILE  84          3HD1      ILE  84  -7.891  -1.742  -5.596
  599    H    SER  85           H        SER  85  -7.753  -3.203   0.159
  600    HA   SER  85           HA       SER  85 -10.442  -3.568   0.290
  601   1HB   SER  85          1HB       SER  85  -8.309  -4.598   1.603
  602   2HB   SER  85          2HB       SER  85  -8.911  -3.553   2.874
  603    HG   SER  85           HG       SER  85 -10.948  -5.007   1.635
  604    H    CYS  86           H        CYS  86  -8.456  -1.444   2.494
  605    HA   CYS  86           HA       CYS  86 -10.639  -0.261   3.720
  606   1HB   CYS  86          1HB       CYS  86  -8.244  -0.236   4.516
  607   2HB   CYS  86          2HB       CYS  86  -7.909   1.001   3.322
  608    H    HIS  87           H        HIS  87  -8.484   0.939   1.036
  609    HA   HIS  87           HA       HIS  87  -9.726   3.286   0.513
  610   1HB   HIS  87          1HB       HIS  87  -8.233   1.306  -1.163
  611   2HB   HIS  87          2HB       HIS  87  -9.028   2.643  -1.969
  612    HD1  HIS  87           HD1      HIS  87  -6.867   3.867  -2.626
  613    HD2  HIS  87           HD2      HIS  87  -7.216   3.182   1.498
  614    HE1  HIS  87           HE1      HIS  87  -5.021   5.234  -1.516
  615    H    LYS  88           H        LYS  88 -10.743  -0.025  -0.417
  616    HA   LYS  88           HA       LYS  88 -12.746   0.724  -2.206
  617   1HB   LYS  88          1HB       LYS  88 -11.951  -1.702  -0.710
  618   2HB   LYS  88          2HB       LYS  88 -13.644  -1.632  -1.157
  619   1HG   LYS  88          1HG       LYS  88 -13.031  -1.209  -3.526
  620   2HG   LYS  88          2HG       LYS  88 -11.331  -1.181  -3.103
  621   1HD   LYS  88          1HD       LYS  88 -11.214  -3.438  -3.274
  622   2HD   LYS  88          2HD       LYS  88 -12.459  -3.624  -2.054
  623   1HE   LYS  88          1HE       LYS  88 -14.213  -3.680  -3.658
  624   2HE   LYS  88          2HE       LYS  88 -13.246  -2.895  -4.891
  625   1HZ   LYS  88          1HZ       LYS  88 -12.731  -5.592  -3.843
  626   2HZ   LYS  88          2HZ       LYS  88 -13.482  -5.265  -5.256
  627   3HZ   LYS  88          3HZ       LYS  88 -11.913  -4.861  -5.053
  628    H    ASP  89           H        ASP  89 -12.776   0.202   1.370
  629    HA   ASP  89           HA       ASP  89 -15.463   0.475   1.737
  630   1HB   ASP  89          1HB       ASP  89 -13.396   0.029   3.381
  631   2HB   ASP  89          2HB       ASP  89 -13.527   1.751   3.678
  632    H    LYS  90           H        LYS  90 -12.830   2.928   1.440
  633    HA   LYS  90           HA       LYS  90 -14.374   5.158   2.147
  634   1HB   LYS  90          1HB       LYS  90 -11.724   4.622   0.946
  635   2HB   LYS  90          2HB       LYS  90 -12.432   6.165   0.512
  636   1HG   LYS  90          1HG       LYS  90 -12.006   5.115   3.349
  637   2HG   LYS  90          2HG       LYS  90 -11.091   6.391   2.573
  638   1HD   LYS  90          1HD       LYS  90 -13.606   7.399   2.244
  639   2HD   LYS  90          2HD       LYS  90 -13.870   6.459   3.700
  640   1HE   LYS  90          1HE       LYS  90 -11.945   7.614   4.802
  641   2HE   LYS  90          2HE       LYS  90 -11.662   8.544   3.344
  642   1HZ   LYS  90          1HZ       LYS  90 -14.233   8.578   4.756
  643   2HZ   LYS  90          2HZ       LYS  90 -13.034   9.641   5.075
  644   3HZ   LYS  90          3HZ       LYS  90 -13.722   9.606   3.594
  645    H    ALA  91           H        ALA  91 -13.767   3.462  -0.966
  646    HA   ALA  91           HA       ALA  91 -15.104   5.399  -2.534
  647   1HB   ALA  91          1HB       ALA  91 -13.582   3.025  -2.900
  648   2HB   ALA  91          3HB       ALA  91 -14.157   4.157  -4.147
  649   3HB   ALA  91          2HB       ALA  91 -15.153   2.754  -3.693
  650    H    GLY  92           H        GLY  92 -16.135   1.953  -2.173
  651   1HA   GLY  92          2HA       GLY  92 -18.660   2.609  -1.015
  652   2HA   GLY  92          1HA       GLY  92 -18.142   1.059  -1.645
  653    H    ASP  93           H        ASP  93 -20.394   3.473  -2.057
  654    HA   ASP  93           HA       ASP  93 -21.112   2.446  -4.596
  655   1HB   ASP  93          1HB       ASP  93 -22.688   4.730  -4.076
  656   2HB   ASP  93          2HB       ASP  93 -23.125   3.063  -3.759
  657    H    ASP  94           H        ASP  94 -19.756   5.477  -3.199
  658    HA   ASP  94           HA       ASP  94 -20.058   7.152  -5.313
  659   1HB   ASP  94          1HB       ASP  94 -19.096   7.651  -3.000
  660   2HB   ASP  94          2HB       ASP  94 -17.581   6.954  -3.538
  661    H    LYS  95           H        LYS  95 -19.590   6.410  -7.425
  662    HA   LYS  95           HA       LYS  95 -17.395   4.704  -7.960
  663   1HB   LYS  95          1HB       LYS  95 -19.428   6.179  -9.613
  664   2HB   LYS  95          2HB       LYS  95 -18.046   5.436 -10.392
  665   1HG   LYS  95          1HG       LYS  95 -18.656   3.245  -9.673
  666   2HG   LYS  95          2HG       LYS  95 -19.704   3.848  -8.406
  667   1HD   LYS  95          1HD       LYS  95 -20.805   4.965 -10.737
  668   2HD   LYS  95          2HD       LYS  95 -20.299   3.370 -11.257
  669   1HE   LYS  95          1HE       LYS  95 -21.550   3.140  -8.648
  670   2HE   LYS  95          2HE       LYS  95 -22.606   4.067  -9.695
  671   1HZ   LYS  95          1HZ       LYS  95 -22.285   2.280 -11.358
  672   2HZ   LYS  95          2HZ       LYS  95 -21.507   1.398 -10.224
  673   3HZ   LYS  95          3HZ       LYS  95 -23.076   1.802 -10.011
  674    H    GLU  96           H        GLU  96 -17.926   8.222  -7.908
  675    HA   GLU  96           HA       GLU  96 -15.657   8.870  -9.397
  676   1HB   GLU  96          1HB       GLU  96 -17.678  10.351  -8.780
  677   2HB   GLU  96          2HB       GLU  96 -16.912  10.588  -7.221
  678   1HG   GLU  96          1HG       GLU  96 -16.159  12.433  -8.520
  679   2HG   GLU  96          2HG       GLU  96 -14.801  11.325  -8.530
  680    H    LEU  97           H        LEU  97 -16.142   7.772  -6.102
  681    HA   LEU  97           HA       LEU  97 -13.570   8.784  -5.234
  682   1HB   LEU  97          1HB       LEU  97 -15.718   8.712  -3.851
  683   2HB   LEU  97          2HB       LEU  97 -15.449   6.985  -3.717
  684    HG   LEU  97           HG       LEU  97 -14.564   7.868  -1.747
  685   1HD1  LEU  97          1HD1      LEU  97 -13.026   6.334  -3.126
  686   2HD1  LEU  97          2HD1      LEU  97 -12.054   7.798  -3.412
  687   3HD1  LEU  97          3HD1      LEU  97 -12.323   7.219  -1.751
  688   1HD2  LEU  97          1HD2      LEU  97 -13.914  10.184  -3.423
  689   2HD2  LEU  97          2HD2      LEU  97 -14.317  10.088  -1.692
  690   3HD2  LEU  97          3HD2      LEU  97 -12.651   9.780  -2.236
  691    H    LYS  98           H        LYS  98 -15.107   5.832  -6.465
  692    HA   LYS  98           HA       LYS  98 -12.899   4.171  -5.689
  693   1HB   LYS  98          1HB       LYS  98 -15.356   3.482  -5.907
  694   2HB   LYS  98          2HB       LYS  98 -15.108   3.498  -7.641
  695   1HG   LYS  98          1HG       LYS  98 -13.356   1.809  -7.489
  696   2HG   LYS  98          2HG       LYS  98 -13.316   1.922  -5.741
  697   1HD   LYS  98          2HD       LYS  98 -14.608  -0.030  -6.161
  698   2HD   LYS  98          1HD       LYS  98 -15.802   1.194  -5.779
  699   1HE   LYS  98          2HE       LYS  98 -16.657   0.132  -7.735
  700   2HE   LYS  98          1HE       LYS  98 -15.968   1.630  -8.326
  701   1HZ   LYS  98          1HZ       LYS  98 -13.897   0.278  -8.707
  702   2HZ   LYS  98          2HZ       LYS  98 -14.818  -1.054  -8.490
  703   3HZ   LYS  98          3HZ       LYS  98 -15.153  -0.019  -9.708
  704    H    LYS  99           H        LYS  99 -12.919   6.696  -7.688
  705    HA   LYS  99           HA       LYS  99 -11.268   5.313  -9.686
  706   1HB   LYS  99          1HB       LYS  99 -13.444   7.306  -9.994
  707   2HB   LYS  99          2HB       LYS  99 -12.016   7.586 -10.968
  708   1HG   LYS  99          1HG       LYS  99 -13.300   4.832 -10.837
  709   2HG   LYS  99          2HG       LYS  99 -13.903   6.053 -11.939
  710   1HD   LYS  99          1HD       LYS  99 -11.092   6.102 -12.292
  711   2HD   LYS  99          2HD       LYS  99 -11.488   4.401 -12.147
  712   1HE   LYS  99          1HE       LYS  99 -11.928   4.602 -14.400
  713   2HE   LYS  99          2HE       LYS  99 -13.493   5.145 -13.828
  714   1HZ   LYS  99          1HZ       LYS  99 -12.394   7.423 -13.796
  715   2HZ   LYS  99          2HZ       LYS  99 -11.251   6.765 -14.759
  716   3HZ   LYS  99          3HZ       LYS  99 -12.809   6.797 -15.246
  717    H    LYS 100           H        LYS 100 -10.165   5.999  -7.235
  718    HA   LYS 100           HA       LYS 100  -8.135   7.779  -8.076
  719   1HB   LYS 100          1HB       LYS 100  -8.663   9.316  -5.965
  720   2HB   LYS 100          2HB       LYS 100  -9.268   9.678  -7.568
  721   1HG   LYS 100          1HG       LYS 100 -11.361   8.289  -6.938
  722   2HG   LYS 100          2HG       LYS 100 -10.765   8.314  -5.291
  723   1HD   LYS 100          1HD       LYS 100 -11.078  10.892  -6.872
  724   2HD   LYS 100          2HD       LYS 100 -12.445  10.180  -6.038
  725   1HE   LYS 100          1HE       LYS 100 -11.123  10.210  -3.892
  726   2HE   LYS 100          2HE       LYS 100  -9.797  10.982  -4.739
  727   1HZ   LYS 100          1HZ       LYS 100 -12.361  12.243  -5.050
  728   2HZ   LYS 100          2HZ       LYS 100 -11.729  12.311  -3.546
  729   3HZ   LYS 100          3HZ       LYS 100 -10.892  12.914  -4.811
  730    H    LEU 101           H        LEU 101  -9.867   6.252  -5.294
  731    HA   LEU 101           HA       LEU 101  -7.325   5.793  -3.985
  732   1HB   LEU 101          2HB       LEU 101 -10.140   5.070  -3.159
  733   2HB   LEU 101          1HB       LEU 101  -8.701   4.903  -2.172
  734    HG   LEU 101           HG       LEU 101 -10.132   7.410  -3.021
  735   1HD1  LEU 101          1HD1      LEU 101 -10.718   6.204  -0.903
  736   2HD1  LEU 101          2HD1      LEU 101  -9.077   6.562  -0.313
  737   3HD1  LEU 101          3HD1      LEU 101 -10.200   7.892  -0.684
  738   1HD2  LEU 101          1HD2      LEU 101  -7.252   7.207  -2.115
  739   2HD2  LEU 101          2HD2      LEU 101  -7.885   7.935  -3.611
  740   3HD2  LEU 101          3HD2      LEU 101  -8.214   8.703  -2.039
  741    H    THR 102           H        THR 102  -9.727   4.135  -5.992
  742    HA   THR 102           HA       THR 102  -8.073   1.706  -5.779
  743    HB   THR 102           HB       THR 102 -10.120   0.399  -5.915
  744    HG1  THR 102           HG1      THR 102 -11.379   1.625  -7.357
  745   1HG2  THR 102          1HG2      THR 102  -9.721   1.528  -3.641
  746   2HG2  THR 102          2HG2      THR 102 -10.847   2.803  -4.167
  747   3HG2  THR 102          3HG2      THR 102 -11.421   1.128  -3.986
  748    H    GLY 103           H        GLY 103  -8.601   4.318  -7.649
  749   1HA   GLY 103          2HA       GLY 103  -8.320   4.750  -9.835
  750   2HA   GLY 103          1HA       GLY 103  -9.338   3.361 -10.158
  751    H    CYS 104           H        CYS 104  -8.362   2.031 -11.620
  752    HA   CYS 104           HA       CYS 104  -5.884   0.844 -10.969
  753   1HB   CYS 104          1HB       CYS 104  -7.975   0.520 -12.995
  754   2HB   CYS 104          2HB       CYS 104  -6.364   0.221 -13.616
  755    H    LYS 105           H        LYS 105  -7.032   3.069 -13.614
  756    HA   LYS 105           HA       LYS 105  -4.247   3.974 -13.859
  757   1HB   LYS 105          2HB       LYS 105  -4.675   4.331 -16.257
  758   2HB   LYS 105          1HB       LYS 105  -4.809   2.645 -15.799
  759   1HG   LYS 105          1HG       LYS 105  -7.125   2.592 -16.097
  760   2HG   LYS 105          2HG       LYS 105  -7.328   4.286 -15.699
  761   1HD   LYS 105          1HD       LYS 105  -6.683   5.016 -17.859
  762   2HD   LYS 105          2HD       LYS 105  -5.817   3.534 -18.213
  763   1HE   LYS 105          1HE       LYS 105  -8.002   2.289 -18.275
  764   2HE   LYS 105          2HE       LYS 105  -8.853   3.788 -17.963
  765   1HZ   LYS 105          1HZ       LYS 105  -7.007   3.586 -20.216
  766   2HZ   LYS 105          2HZ       LYS 105  -8.542   3.045 -20.352
  767   3HZ   LYS 105          3HZ       LYS 105  -8.257   4.616 -20.011
  768    H    GLY 106           H        GLY 106  -3.903   6.144 -13.635
  769   1HA   GLY 106          2HA       GLY 106  -5.982   8.056 -14.146
  770   2HA   GLY 106          1HA       GLY 106  -4.365   8.362 -13.544
  771    H    SER 107           H        SER 107  -4.297   6.713 -11.228
  772    HA   SER 107           HA       SER 107  -6.459   7.898  -9.668
  773   1HB   SER 107          1HB       SER 107  -6.384   6.012  -8.189
  774   2HB   SER 107          2HB       SER 107  -6.390   5.357  -9.814
  775    HG   SER 107           HG       SER 107  -4.753   4.243  -8.824
  776    H    ALA 108           H        ALA 108  -5.626   7.909  -7.142
  777    HA   ALA 108           HA       ALA 108  -3.511   9.794  -7.133
  778   1HB   ALA 108          1HB       ALA 108  -3.990   8.912  -4.501
  779   2HB   ALA 108          2HB       ALA 108  -4.719  10.321  -5.310
  780   3HB   ALA 108          3HB       ALA 108  -5.552   8.748  -5.338
  781    H    CYS 109           H        CYS 109  -3.539   6.421  -7.418
  782    HA   CYS 109           HA       CYS 109  -1.032   6.152  -5.950
  783   1HB   CYS 109          1HB       CYS 109  -2.981   4.080  -6.998
  784   2HB   CYS 109          2HB       CYS 109  -1.406   3.676  -6.344
  785    H    HIS 110           H        HIS 110  -2.658   5.585  -9.138
  786    HA   HIS 110           HA       HIS 110   0.018   5.533 -10.333
  787   1HB   HIS 110          1HB       HIS 110  -2.502   4.126 -11.259
  788   2HB   HIS 110          2HB       HIS 110  -0.991   4.165 -12.145
  789    HD1  HIS 110           HD1      HIS 110   1.134   3.404 -10.223
  790    HD2  HIS 110           HD2      HIS 110  -2.698   1.708 -10.033
  791    HE1  HIS 110           HE1      HIS 110   1.390   1.198  -8.966
  792    HA   PRO 111           HA       PRO 111  -2.008   9.213 -12.051
  793   1HB   PRO 111          1HB       PRO 111  -0.224  11.078 -11.293
  794   2HB   PRO 111          2HB       PRO 111  -1.306  10.320 -10.080
  795   1HG   PRO 111          2HG       PRO 111   1.371   9.652 -10.957
  796   2HG   PRO 111          1HG       PRO 111   1.171   9.665  -9.175
  797   1HD   PRO 111          1HD       PRO 111   1.230   7.328 -10.558
  798   2HD   PRO 111          2HD       PRO 111   0.061   7.547  -9.221
  799    H    SER 112           H        SER 112  -1.331   7.793 -14.051
  800    HA   SER 112           HA       SER 112   0.427   9.386 -15.566
  801   1HB   SER 112          1HB       SER 112   1.609   7.182 -14.162
  802   2HB   SER 112          2HB       SER 112   1.551   6.734 -15.856
  803    HG   SER 112           HG       SER 112   2.681   8.682 -16.395

  No H/Q in entry =         803
  Start of MODEL   12
    1    H1   VAL   1           H1       VAL   1   9.248   9.899  17.743
    2    H2   VAL   1           H2       VAL   1   8.655   8.379  17.463
    3    H3   VAL   1           H3       VAL   1  10.073   8.573  18.295
    4    HA   VAL   1           HA       VAL   1  11.274   9.140  16.514
    5    HB   VAL   1           HB       VAL   1  11.059   6.910  16.180
    6   1HG1  VAL   1          1HG1      VAL   1   8.071   7.319  15.836
    7   2HG1  VAL   1          2HG1      VAL   1   8.897   5.753  15.651
    8   3HG1  VAL   1          3HG1      VAL   1   8.914   6.588  17.223
    9   1HG2  VAL   1          1HG2      VAL   1   9.599   8.027  13.761
   10   2HG2  VAL   1          2HG2      VAL   1  11.362   7.896  13.971
   11   3HG2  VAL   1          3HG2      VAL   1  10.368   6.424  13.854
   12    H    ASP   2           H        ASP   2   7.972  10.122  16.468
   13    HA   ASP   2           HA       ASP   2   6.880  11.605  15.327
   14   1HB   ASP   2          1HB       ASP   2   9.719  12.345  14.691
   15   2HB   ASP   2          2HB       ASP   2   8.488  13.055  13.665
   16    H    VAL   3           H        VAL   3   5.540  10.850  13.681
   17    HA   VAL   3           HA       VAL   3   6.326   9.043  11.751
   18    HB   VAL   3           HB       VAL   3   4.004   9.856  12.665
   19   1HG1  VAL   3          1HG1      VAL   3   4.326  12.152  11.625
   20   2HG1  VAL   3          2HG1      VAL   3   4.075  11.375  10.044
   21   3HG1  VAL   3          3HG1      VAL   3   2.782  11.343  11.267
   22   1HG2  VAL   3          1HG2      VAL   3   4.505   7.913  11.139
   23   2HG2  VAL   3          2HG2      VAL   3   2.911   8.667  10.895
   24   3HG2  VAL   3          3HG2      VAL   3   4.241   9.009   9.762
   25    HA   PRO   4           HA       PRO   4   9.048  11.282   9.115
   26   1HB   PRO   4          2HB       PRO   4   7.744   9.387   7.131
   27   2HB   PRO   4          1HB       PRO   4   9.473   9.772   7.414
   28   1HG   PRO   4          1HG       PRO   4   8.498   7.526   8.471
   29   2HG   PRO   4          2HG       PRO   4   9.749   8.483   9.329
   30   1HD   PRO   4          2HD       PRO   4   6.795   8.186   9.868
   31   2HD   PRO   4          1HD       PRO   4   8.120   8.594  11.001
   32    H    ALA   5           H        ALA   5   8.840  12.646   7.074
   33    HA   ALA   5           HA       ALA   5   6.220  13.872   7.069
   34   1HB   ALA   5          1HB       ALA   5   7.631  15.630   6.929
   35   2HB   ALA   5          2HB       ALA   5   8.992  14.603   6.418
   36   3HB   ALA   5          3HB       ALA   5   7.818  15.188   5.215
   37    H    ASP   6           H        ASP   6   4.986  14.232   5.094
   38    HA   ASP   6           HA       ASP   6   4.641  11.958   3.633
   39   1HB   ASP   6          2HB       ASP   6   3.037  13.179   2.427
   40   2HB   ASP   6          1HB       ASP   6   3.165  14.113   3.904
   41    H    GLY   7           H        GLY   7   4.525  12.826   0.868
   42   1HA   GLY   7          2HA       GLY   7   7.108  13.836   0.077
   43   2HA   GLY   7          1HA       GLY   7   5.789  13.326  -0.958
   44    H    ALA   8           H        ALA   8   6.149  10.877   1.317
   45    HA   ALA   8           HA       ALA   8   8.462   9.562   0.493
   46   1HB   ALA   8          1HB       ALA   8   6.007   8.987   2.041
   47   2HB   ALA   8          2HB       ALA   8   7.703   8.572   2.388
   48   3HB   ALA   8          3HB       ALA   8   6.748   7.558   1.279
   49    H    LYS   9           H        LYS   9   8.941   8.183  -1.198
   50    HA   LYS   9           HA       LYS   9   6.743   7.719  -3.092
   51   1HB   LYS   9          1HB       LYS   9   9.651   8.365  -3.645
   52   2HB   LYS   9          2HB       LYS   9   8.533   7.784  -4.862
   53   1HG   LYS   9          1HG       LYS   9   7.209   9.744  -4.784
   54   2HG   LYS   9          2HG       LYS   9   7.748  10.170  -3.172
   55   1HD   LYS   9          1HD       LYS   9  10.105  10.495  -4.206
   56   2HD   LYS   9          2HD       LYS   9   9.324  10.392  -5.771
   57   1HE   LYS   9          1HE       LYS   9   7.740  12.266  -4.968
   58   2HE   LYS   9          2HE       LYS   9   8.801  12.456  -3.586
   59   1HZ   LYS   9          1HZ       LYS   9  10.559  12.507  -5.537
   60   2HZ   LYS   9          2HZ       LYS   9   9.278  13.116  -6.345
   61   3HZ   LYS   9          3HZ       LYS   9   9.812  13.852  -4.990
   62    H    ILE  10           H        ILE  10   6.466   5.636  -3.868
   63    HA   ILE  10           HA       ILE  10   8.281   3.656  -2.680
   64    HB   ILE  10           HB       ILE  10   5.384   3.319  -3.460
   65   1HG1  ILE  10          1HG1      ILE  10   6.254   3.296  -0.609
   66   2HG1  ILE  10          2HG1      ILE  10   6.165   4.857  -1.401
   67   1HG2  ILE  10          1HG2      ILE  10   6.836   1.280  -3.551
   68   2HG2  ILE  10          2HG2      ILE  10   7.152   1.497  -1.813
   69   3HG2  ILE  10          3HG2      ILE  10   5.495   1.189  -2.384
   70   1HD1  ILE  10          1HD1      ILE  10   3.820   4.374  -2.106
   71   2HD1  ILE  10          2HD1      ILE  10   3.912   2.798  -1.284
   72   3HD1  ILE  10          3HD1      ILE  10   4.006   4.303  -0.338
   73    H    ASP  11           H        ASP  11   9.483   2.429  -4.040
   74    HA   ASP  11           HA       ASP  11   8.480   1.818  -6.624
   75   1HB   ASP  11          1HB       ASP  11   9.378   3.921  -7.297
   76   2HB   ASP  11          2HB       ASP  11  10.757   3.780  -6.225
   77    H    PHE  12           H        PHE  12   8.809  -0.358  -5.732
   78    HA   PHE  12           HA       PHE  12  11.633  -1.048  -5.325
   79   1HB   PHE  12          2HB       PHE  12   9.035  -2.427  -4.417
   80   2HB   PHE  12          1HB       PHE  12  10.651  -2.921  -3.952
   81    HD1  PHE  12           HD1      PHE  12  11.858  -0.252  -3.355
   82    HD2  PHE  12           HD2      PHE  12   8.057  -1.863  -2.373
   83    HE1  PHE  12           HE1      PHE  12  11.740   1.251  -1.349
   84    HE2  PHE  12           HE2      PHE  12   7.939  -0.360  -0.366
   85    HZ   PHE  12           HZ       PHE  12   9.782   1.179   0.122
   86    H    ILE  13           H        ILE  13   8.652  -1.651  -7.130
   87    HA   ILE  13           HA       ILE  13   9.813  -4.031  -8.342
   88    HB   ILE  13           HB       ILE  13   7.078  -2.768  -8.471
   89   1HG1  ILE  13          1HG1      ILE  13   7.810  -5.502  -7.423
   90   2HG1  ILE  13          2HG1      ILE  13   7.903  -4.080  -6.403
   91   1HG2  ILE  13          1HG2      ILE  13   8.327  -4.391 -10.437
   92   2HG2  ILE  13          2HG2      ILE  13   7.122  -5.396  -9.596
   93   3HG2  ILE  13          3HG2      ILE  13   6.631  -3.859 -10.347
   94   1HD1  ILE  13          1HD1      ILE  13   5.492  -3.562  -6.996
   95   2HD1  ILE  13          2HD1      ILE  13   5.431  -5.116  -7.861
   96   3HD1  ILE  13          3HD1      ILE  13   5.708  -5.086  -6.103
   97    H    ALA  14           H        ALA  14  11.335  -3.556  -9.856
   98    HA   ALA  14           HA       ALA  14  12.233  -2.756 -11.713
   99   1HB   ALA  14          1HB       ALA  14  10.251  -3.475 -12.871
  100   2HB   ALA  14          3HB       ALA  14  10.652  -1.851 -13.480
  101   3HB   ALA  14          2HB       ALA  14   9.333  -2.059 -12.304
  102    H    GLY  15           H        GLY  15  12.295  -0.510 -13.131
  103   1HA   GLY  15          2HA       GLY  15  13.449   1.408 -11.646
  104   2HA   GLY  15          1HA       GLY  15  11.752   1.817 -11.493
  105    H    GLY  16           H        GLY  16  14.140   3.106 -12.968
  106   1HA   GLY  16          2HA       GLY  16  13.478   2.882 -15.763
  107   2HA   GLY  16          1HA       GLY  16  14.644   3.957 -15.016
  108    H    GLU  17           H        GLU  17  12.570   4.550 -17.087
  109    HA   GLU  17           HA       GLU  17  11.455   6.816 -15.710
  110   1HB   GLU  17          1HB       GLU  17  12.273   6.172 -18.444
  111   2HB   GLU  17          2HB       GLU  17  10.670   6.882 -18.429
  112   1HG   GLU  17          2HG       GLU  17  13.198   8.069 -17.196
  113   2HG   GLU  17          1HG       GLU  17  12.337   8.671 -18.599
  114    H    LYS  18           H        LYS  18  10.453   3.797 -17.348
  115    HA   LYS  18           HA       LYS  18   7.656   4.508 -17.060
  116   1HB   LYS  18          1HB       LYS  18   7.225   2.486 -18.320
  117   2HB   LYS  18          2HB       LYS  18   8.438   3.451 -19.136
  118   1HG   LYS  18          1HG       LYS  18   9.974   1.785 -18.986
  119   2HG   LYS  18          2HG       LYS  18   9.737   1.641 -17.256
  120   1HD   LYS  18          1HD       LYS  18   8.598  -0.295 -17.551
  121   2HD   LYS  18          2HD       LYS  18   7.404   0.536 -18.527
  122   1HE   LYS  18          1HE       LYS  18   8.144  -0.759 -20.253
  123   2HE   LYS  18          2HE       LYS  18   9.526   0.317 -20.309
  124   1HZ   LYS  18          1HZ       LYS  18   9.877  -1.600 -18.294
  125   2HZ   LYS  18          2HZ       LYS  18   9.541  -2.348 -19.706
  126   3HZ   LYS  18          3HZ       LYS  18  10.802  -1.315 -19.609
  127    H    ASN  19           H        ASN  19   8.848   4.559 -14.586
  128    HA   ASN  19           HA       ASN  19   8.227   1.954 -13.461
  129   1HB   ASN  19          1HB       ASN  19   9.314   3.113 -11.352
  130   2HB   ASN  19          2HB       ASN  19  10.363   2.595 -12.656
  131   2HD2  ASN  19          2HD2      ASN  19  11.512   4.344 -11.216
  132   1HD2  ASN  19          1HD2      ASN  19  11.511   5.950 -11.865
  133    H    LEU  20           H        LEU  20   6.398   1.759 -12.115
  134    HA   LEU  20           HA       LEU  20   4.696   4.067 -11.900
  135   1HB   LEU  20          1HB       LEU  20   4.407   1.161 -11.157
  136   2HB   LEU  20          2HB       LEU  20   3.191   2.360 -10.767
  137    HG   LEU  20           HG       LEU  20   4.017   1.300 -13.455
  138   1HD1  LEU  20          1HD1      LEU  20   1.396   1.643 -11.988
  139   2HD1  LEU  20          2HD1      LEU  20   1.504   1.205 -13.710
  140   3HD1  LEU  20          3HD1      LEU  20   2.205   0.133 -12.473
  141   1HD2  LEU  20          1HD2      LEU  20   2.809   4.004 -12.891
  142   2HD2  LEU  20          2HD2      LEU  20   4.170   3.578 -13.956
  143   3HD2  LEU  20          3HD2      LEU  20   2.507   3.141 -14.418
  144    H    THR  21           H        THR  21   5.775   5.522 -10.517
  145    HA   THR  21           HA       THR  21   6.511   4.543  -7.874
  146    HB   THR  21           HB       THR  21   6.735   7.411  -8.833
  147    HG1  THR  21           HG1      THR  21   8.126   6.685 -10.405
  148   1HG2  THR  21          1HG2      THR  21   7.706   6.050  -6.602
  149   2HG2  THR  21          2HG2      THR  21   9.068   5.928  -7.742
  150   3HG2  THR  21          3HG2      THR  21   8.433   7.525  -7.281
  151    H    VAL  22           H        VAL  22   4.985   4.348  -6.363
  152    HA   VAL  22           HA       VAL  22   2.703   6.160  -6.517
  153    HB   VAL  22           HB       VAL  22   3.222   3.592  -5.011
  154   1HG1  VAL  22          1HG1      VAL  22   0.908   5.529  -4.873
  155   2HG1  VAL  22          2HG1      VAL  22   0.702   3.799  -4.505
  156   3HG1  VAL  22          3HG1      VAL  22   1.830   4.785  -3.544
  157   1HG2  VAL  22          1HG2      VAL  22   2.163   4.212  -7.633
  158   2HG2  VAL  22          2HG2      VAL  22   2.516   2.630  -6.896
  159   3HG2  VAL  22          3HG2      VAL  22   0.931   3.398  -6.637
  160    H    VAL  23           H        VAL  23   2.521   7.886  -5.179
  161    HA   VAL  23           HA       VAL  23   4.572   8.205  -3.155
  162    HB   VAL  23           HB       VAL  23   2.427  10.047  -4.228
  163   1HG1  VAL  23          1HG1      VAL  23   4.268  10.285  -1.935
  164   2HG1  VAL  23          2HG1      VAL  23   4.306  11.663  -3.061
  165   3HG1  VAL  23          3HG1      VAL  23   2.770  11.173  -2.306
  166   1HG2  VAL  23          1HG2      VAL  23   4.806   9.208  -5.415
  167   2HG2  VAL  23          2HG2      VAL  23   3.848  10.644  -5.850
  168   3HG2  VAL  23          3HG2      VAL  23   5.206  10.792  -4.708
  169    H    PHE  24           H        PHE  24   4.134   8.549  -0.919
  170    HA   PHE  24           HA       PHE  24   1.389   7.996  -0.094
  171   1HB   PHE  24          1HB       PHE  24   2.782   5.870  -0.110
  172   2HB   PHE  24          2HB       PHE  24   3.983   6.661   0.892
  173    HD1  PHE  24           HD1      PHE  24   0.353   5.799   0.900
  174    HD2  PHE  24           HD2      PHE  24   3.878   6.389   3.188
  175    HE1  PHE  24           HE1      PHE  24  -0.853   5.020   2.960
  176    HE2  PHE  24           HE2      PHE  24   2.672   5.610   5.247
  177    HZ   PHE  24           HZ       PHE  24   0.321   4.935   5.108
  178    H    ASN  25           H        ASN  25   0.830   8.860   1.981
  179    HA   ASN  25           HA       ASN  25   2.923  10.502   3.159
  180   1HB   ASN  25          1HB       ASN  25   1.420  11.973   1.820
  181   2HB   ASN  25          2HB       ASN  25   0.015  11.315   2.635
  182   2HD2  ASN  25          2HD2      ASN  25  -0.112  13.769   2.895
  183   1HD2  ASN  25          1HD2      ASN  25   0.510  14.432   4.369
  184    H    HIS  26           H        HIS  26   2.801  10.595   5.490
  185    HA   HIS  26           HA       HIS  26   1.089   8.578   6.638
  186   1HB   HIS  26          1HB       HIS  26   3.527  10.084   7.474
  187   2HB   HIS  26          2HB       HIS  26   2.469   9.497   8.741
  188    HD1  HIS  26           HD1      HIS  26   4.671   8.260   5.914
  189    HD2  HIS  26           HD2      HIS  26   2.540   6.737   9.190
  190    HE1  HIS  26           HE1      HIS  26   5.393   5.826   6.168
  191    H    SER  27           H        SER  27   1.160  12.022   6.143
  192    HA   SER  27           HA       SER  27  -0.477  12.581   8.413
  193   1HB   SER  27          2HB       SER  27  -0.338  14.601   6.241
  194   2HB   SER  27          1HB       SER  27  -0.031  14.782   7.957
  195    HG   SER  27           HG       SER  27   1.750  14.046   5.861
  196    H    THR  28           H        THR  28  -1.130  10.826   5.772
  197    HA   THR  28           HA       THR  28  -3.703  12.119   5.186
  198    HB   THR  28           HB       THR  28  -2.092   9.969   3.709
  199    HG1  THR  28           HG1      THR  28  -1.394  12.345   3.867
  200   1HG2  THR  28          1HG2      THR  28  -4.726  10.132   3.402
  201   2HG2  THR  28          2HG2      THR  28  -4.344  11.655   2.565
  202   3HG2  THR  28          3HG2      THR  28  -3.685  10.117   1.958
  203    H    HIS  29           H        HIS  29  -2.162   9.075   6.303
  204    HA   HIS  29           HA       HIS  29  -4.841   8.056   6.848
  205   1HB   HIS  29          1HB       HIS  29  -2.182   6.604   6.912
  206   2HB   HIS  29          2HB       HIS  29  -3.767   5.880   7.096
  207    HD1  HIS  29           HD1      HIS  29  -1.490   7.418   4.499
  208    HD2  HIS  29           HD2      HIS  29  -5.186   5.444   4.708
  209    HE1  HIS  29           HE1      HIS  29  -2.129   6.840   2.097
  210    H    LYS  30           H        LYS  30  -3.395  10.256   8.359
  211    HA   LYS  30           HA       LYS  30  -2.359   9.297  10.740
  212   1HB   LYS  30          1HB       LYS  30  -2.734  11.530  11.588
  213   2HB   LYS  30          2HB       LYS  30  -2.161  11.616   9.935
  214   1HG   LYS  30          1HG       LYS  30  -4.749  11.641   9.329
  215   2HG   LYS  30          2HG       LYS  30  -4.950  12.132  10.999
  216   1HD   LYS  30          1HD       LYS  30  -2.872  13.571   9.351
  217   2HD   LYS  30          2HD       LYS  30  -4.558  13.928   9.032
  218   1HE   LYS  30          1HE       LYS  30  -4.060  13.878  11.917
  219   2HE   LYS  30          2HE       LYS  30  -2.950  14.980  11.126
  220   1HZ   LYS  30          1HZ       LYS  30  -5.354  15.448   9.950
  221   2HZ   LYS  30          2HZ       LYS  30  -5.725  15.254  11.529
  222   3HZ   LYS  30          3HZ       LYS  30  -4.633  16.382  11.079
  223    H    ASP  31           H        ASP  31  -5.589   9.166   9.473
  224    HA   ASP  31           HA       ASP  31  -6.771   9.000  12.077
  225   1HB   ASP  31          2HB       ASP  31  -8.849   8.960  10.948
  226   2HB   ASP  31          1HB       ASP  31  -7.850   9.967   9.918
  227    H    VAL  32           H        VAL  32  -4.823   7.000  10.304
  228    HA   VAL  32           HA       VAL  32  -6.318   4.582  11.056
  229    HB   VAL  32           HB       VAL  32  -4.223   4.872   8.898
  230   1HG1  VAL  32          1HG1      VAL  32  -4.863   2.603  10.118
  231   2HG1  VAL  32          2HG1      VAL  32  -6.245   2.667   8.998
  232   3HG1  VAL  32          3HG1      VAL  32  -4.583   2.668   8.362
  233   1HG2  VAL  32          1HG2      VAL  32  -7.159   5.360   8.858
  234   2HG2  VAL  32          2HG2      VAL  32  -5.863   6.057   7.857
  235   3HG2  VAL  32          3HG2      VAL  32  -6.481   4.426   7.503
  236    H    LYS  33           H        LYS  33  -5.367   3.197  12.497
  237    HA   LYS  33           HA       LYS  33  -3.270   4.056  14.060
  238   1HB   LYS  33          1HB       LYS  33  -4.323   1.252  13.588
  239   2HB   LYS  33          2HB       LYS  33  -3.228   1.697  14.881
  240   1HG   LYS  33          1HG       LYS  33  -4.847   3.024  15.986
  241   2HG   LYS  33          2HG       LYS  33  -5.795   3.263  14.533
  242   1HD   LYS  33          1HD       LYS  33  -6.069   0.595  14.674
  243   2HD   LYS  33          2HD       LYS  33  -5.700   0.865  16.366
  244   1HE   LYS  33          1HE       LYS  33  -7.832   2.511  14.950
  245   2HE   LYS  33          2HE       LYS  33  -8.208   0.936  15.619
  246   1HZ   LYS  33          1HZ       LYS  33  -6.801   2.801  17.327
  247   2HZ   LYS  33          2HZ       LYS  33  -8.380   3.098  17.034
  248   3HZ   LYS  33          3HZ       LYS  33  -7.927   1.684  17.714
  249    H    CYS  34           H        CYS  34  -1.100   2.934  14.359
  250    HA   CYS  34           HA       CYS  34   0.255   3.056  11.861
  251   1HB   CYS  34          2HB       CYS  34   1.429   2.167  14.493
  252   2HB   CYS  34          1HB       CYS  34   2.261   2.854  13.112
  253    H    ASP  35           H        ASP  35  -0.669   0.542  14.286
  254    HA   ASP  35           HA       ASP  35   0.698  -1.537  13.062
  255   1HB   ASP  35          1HB       ASP  35  -0.915  -2.994  14.364
  256   2HB   ASP  35          2HB       ASP  35  -0.096  -1.785  15.332
  257    H    ASP  36           H        ASP  36  -1.955   0.335  12.012
  258    HA   ASP  36           HA       ASP  36  -3.620  -1.594  10.924
  259   1HB   ASP  36          1HB       ASP  36  -3.853   1.037  11.231
  260   2HB   ASP  36          2HB       ASP  36  -3.168   1.104   9.619
  261    H    CYS  37           H        CYS  37  -0.433  -0.471  10.095
  262    HA   CYS  37           HA       CYS  37  -0.639  -1.854   7.528
  263   1HB   CYS  37          1HB       CYS  37   0.734   0.802   8.035
  264   2HB   CYS  37          2HB       CYS  37   1.021  -0.181   6.613
  265    H    HIS  38           H        HIS  38   1.502  -0.461  10.112
  266    HA   HIS  38           HA       HIS  38   3.622  -2.250   9.450
  267   1HB   HIS  38          1HB       HIS  38   3.238  -0.421  11.837
  268   2HB   HIS  38          2HB       HIS  38   4.721  -1.260  11.428
  269    HD1  HIS  38           HD1      HIS  38   5.688  -0.600   8.889
  270    HD2  HIS  38           HD2      HIS  38   3.065   2.086  10.760
  271    HE1  HIS  38           HE1      HIS  38   6.001   1.642   7.712
  272    H    HIS  39           H        HIS  39   2.345  -4.277   9.557
  273    HA   HIS  39           HA       HIS  39   1.497  -5.042  12.210
  274   1HB   HIS  39          2HB       HIS  39   0.371  -6.807  11.206
  275   2HB   HIS  39          1HB       HIS  39   0.233  -5.513  10.031
  276    HD1  HIS  39           HD1      HIS  39   1.225  -8.999  10.337
  277    HD2  HIS  39           HD2      HIS  39   2.262  -5.789   7.845
  278    HE1  HIS  39           HE1      HIS  39   2.342 -10.021   8.283
  279    H    GLN  40           H        GLN  40   4.219  -4.464  12.195
  280    HA   GLN  40           HA       GLN  40   5.429  -7.111  12.085
  281   1HB   GLN  40          1HB       GLN  40   6.516  -4.317  11.743
  282   2HB   GLN  40          2HB       GLN  40   7.592  -5.568  12.331
  283   1HG   GLN  40          1HG       GLN  40   7.409  -5.173   9.741
  284   2HG   GLN  40          2HG       GLN  40   7.463  -6.819  10.342
  285   2HE2  GLN  40          2HE2      GLN  40   5.650  -8.107  10.321
  286   1HE2  GLN  40          1HE2      GLN  40   4.217  -7.732   9.424
  287    HA   PRO  41           HA       PRO  41   5.660  -7.451  16.439
  288   1HB   PRO  41          1HB       PRO  41   8.201  -8.589  16.663
  289   2HB   PRO  41          2HB       PRO  41   6.727  -9.472  16.150
  290   1HG   PRO  41          1HG       PRO  41   8.796  -8.241  14.506
  291   2HG   PRO  41          2HG       PRO  41   8.156  -9.888  14.197
  292   1HD   PRO  41          1HD       PRO  41   7.222  -7.892  12.717
  293   2HD   PRO  41          2HD       PRO  41   6.016  -8.959  13.498
  294    H    GLY  42           H        GLY  42   6.569  -6.335  18.289
  295   1HA   GLY  42          2HA       GLY  42   7.820  -4.800  19.375
  296   2HA   GLY  42          1HA       GLY  42   7.473  -3.803  17.976
  297    H    ASP  43           H        ASP  43   9.692  -2.908  18.719
  298    HA   ASP  43           HA       ASP  43  11.890  -2.851  18.648
  299   1HB   ASP  43          2HB       ASP  43  12.069  -5.515  17.204
  300   2HB   ASP  43          1HB       ASP  43  13.280  -4.749  18.213
  301    H    LYS  44           H        LYS  44  10.478  -4.682  15.829
  302    HA   LYS  44           HA       LYS  44  11.695  -2.670  14.067
  303   1HB   LYS  44          1HB       LYS  44  12.765  -4.949  13.968
  304   2HB   LYS  44          2HB       LYS  44  11.238  -5.590  13.396
  305   1HG   LYS  44          1HG       LYS  44  11.944  -5.046  11.304
  306   2HG   LYS  44          2HG       LYS  44  11.610  -3.380  11.734
  307   1HD   LYS  44          1HD       LYS  44  13.828  -2.841  11.859
  308   2HD   LYS  44          2HD       LYS  44  14.224  -4.291  12.761
  309   1HE   LYS  44          1HE       LYS  44  15.000  -5.326  10.893
  310   2HE   LYS  44          2HE       LYS  44  13.504  -5.021  10.035
  311   1HZ   LYS  44          1HZ       LYS  44  14.361  -2.727   9.689
  312   2HZ   LYS  44          2HZ       LYS  44  15.807  -3.222  10.265
  313   3HZ   LYS  44          3HZ       LYS  44  15.196  -3.893   8.908
  314    H    GLN  45           H        GLN  45   9.115  -2.520  15.446
  315    HA   GLN  45           HA       GLN  45   6.989  -3.419  14.082
  316   1HB   GLN  45          1HB       GLN  45   7.004  -2.017  16.191
  317   2HB   GLN  45          2HB       GLN  45   7.255  -0.594  15.200
  318   1HG   GLN  45          1HG       GLN  45   5.126  -0.988  14.013
  319   2HG   GLN  45          2HG       GLN  45   4.891  -2.500  14.866
  320   2HE2  GLN  45          2HE2      GLN  45   2.846  -1.466  15.423
  321   1HE2  GLN  45          1HE2      GLN  45   2.750  -0.449  16.822
  322    H    TYR  46           H        TYR  46   8.924  -0.501  13.385
  323    HA   TYR  46           HA       TYR  46   7.491  -0.172  10.807
  324   1HB   TYR  46          1HB       TYR  46   9.538   1.700  12.004
  325   2HB   TYR  46          2HB       TYR  46   8.279   2.054  10.809
  326    HD1  TYR  46           HD1      TYR  46   5.852   2.035  11.543
  327    HD2  TYR  46           HD2      TYR  46   9.127   1.929  14.321
  328    HE1  TYR  46           HE1      TYR  46   4.334   2.773  13.361
  329    HE2  TYR  46           HE2      TYR  46   7.609   2.666  16.139
  330    HH   TYR  46           HH       TYR  46   4.589   2.443  16.299
  331    H    ALA  47           H        ALA  47   8.505  -1.923   9.608
  332    HA   ALA  47           HA       ALA  47  11.315  -1.319   9.007
  333   1HB   ALA  47          1HB       ALA  47  10.247  -3.652  10.274
  334   2HB   ALA  47          3HB       ALA  47  11.920  -3.349   9.749
  335   3HB   ALA  47          2HB       ALA  47  10.763  -4.113   8.633
  336    H    GLY  48           H        GLY  48  11.786  -2.919   6.881
  337   1HA   GLY  48          2HA       GLY  48  11.525  -2.809   4.632
  338   2HA   GLY  48          1HA       GLY  48  10.163  -1.725   4.838
  339    H    CYS  49           H        CYS  49   8.624  -2.691   3.512
  340    HA   CYS  49           HA       CYS  49   7.374  -5.016   4.554
  341   1HB   CYS  49          1HB       CYS  49   6.786  -3.722   1.895
  342   2HB   CYS  49          2HB       CYS  49   5.716  -4.687   2.894
  343    H    THR  50           H        THR  50   9.705  -4.197   1.991
  344    HA   THR  50           HA       THR  50   9.510  -6.865   0.837
  345    HB   THR  50           HB       THR  50  11.160  -5.834  -0.799
  346    HG1  THR  50           HG1      THR  50  12.170  -4.220   0.414
  347   1HG2  THR  50          1HG2      THR  50   8.627  -5.507  -1.094
  348   2HG2  THR  50          2HG2      THR  50   8.812  -3.952  -0.249
  349   3HG2  THR  50          3HG2      THR  50   9.633  -4.222  -1.805
  350    H    THR  51           H        THR  51  10.463  -6.312   3.675
  351    HA   THR  51           HA       THR  51  13.276  -6.807   3.617
  352    HB   THR  51           HB       THR  51  11.196  -7.106   5.848
  353    HG1  THR  51           HG1      THR  51  11.645  -5.003   4.461
  354   1HG2  THR  51          1HG2      THR  51  14.224  -6.642   5.847
  355   2HG2  THR  51          2HG2      THR  51  13.185  -6.460   7.281
  356   3HG2  THR  51          3HG2      THR  51  13.375  -8.057   6.516
  357    H    ASP  52           H        ASP  52  14.360  -8.734   4.426
  358    HA   ASP  52           HA       ASP  52  13.613 -10.952   3.038
  359   1HB   ASP  52          1HB       ASP  52  15.827 -10.269   4.355
  360   2HB   ASP  52          2HB       ASP  52  15.115 -11.203   5.656
  361    H    GLY  53           H        GLY  53  12.822 -13.107   3.867
  362   1HA   GLY  53          2HA       GLY  53  11.860 -13.597   6.417
  363   2HA   GLY  53          1HA       GLY  53  11.319 -14.381   4.946
  364    H    CYS  54           H        CYS  54  10.528 -11.598   3.819
  365    HA   CYS  54           HA       CYS  54   7.953 -11.545   5.189
  366   1HB   CYS  54          1HB       CYS  54   9.403  -9.006   4.394
  367   2HB   CYS  54          2HB       CYS  54   7.886  -9.143   5.259
  368    H    HIS  55           H        HIS  55   7.892  -8.955   3.186
  369    HA   HIS  55           HA       HIS  55   6.908 -10.574   0.981
  370   1HB   HIS  55          1HB       HIS  55   6.592  -7.591   1.353
  371   2HB   HIS  55          2HB       HIS  55   5.667  -8.652   0.309
  372    HD1  HIS  55           HD1      HIS  55   4.081 -10.461   1.609
  373    HD2  HIS  55           HD2      HIS  55   5.541  -7.249   3.877
  374    HE1  HIS  55           HE1      HIS  55   2.624 -10.342   3.701
  375    H    ASN  56           H        ASN  56   9.604 -10.803   1.056
  376    HA   ASN  56           HA       ASN  56  10.759  -8.688  -0.489
  377   1HB   ASN  56          1HB       ASN  56  12.038  -9.940   1.305
  378   2HB   ASN  56          2HB       ASN  56  11.914 -11.402   0.347
  379   2HD2  ASN  56          2HD2      ASN  56  14.270  -9.983   1.229
  380   1HD2  ASN  56          1HD2      ASN  56  15.183  -9.540  -0.175
  381    H    ILE  57           H        ILE  57   8.937  -9.278  -2.213
  382    HA   ILE  57           HA       ILE  57  10.118 -11.231  -4.050
  383    HB   ILE  57           HB       ILE  57   7.167 -10.921  -3.488
  384   1HG1  ILE  57          1HG1      ILE  57   8.751 -12.089  -1.744
  385   2HG1  ILE  57          2HG1      ILE  57   7.201 -12.788  -2.166
  386   1HG2  ILE  57          1HG2      ILE  57   8.665 -12.816  -5.318
  387   2HG2  ILE  57          2HG2      ILE  57   6.921 -12.872  -4.964
  388   3HG2  ILE  57          3HG2      ILE  57   7.613 -11.469  -5.814
  389   1HD1  ILE  57          1HD1      ILE  57   9.721 -13.546  -3.687
  390   2HD1  ILE  57          2HD1      ILE  57   9.264 -14.363  -2.173
  391   3HD1  ILE  57          3HD1      ILE  57   8.182 -14.434  -3.584
  392    H    LEU  58           H        LEU  58  10.904 -10.036  -5.701
  393    HA   LEU  58           HA       LEU  58   9.399  -7.641  -6.446
  394   1HB   LEU  58          1HB       LEU  58  12.231  -8.490  -7.066
  395   2HB   LEU  58          2HB       LEU  58  11.471  -7.023  -7.649
  396    HG   LEU  58           HG       LEU  58  12.153  -7.730  -4.787
  397   1HD1  LEU  58          1HD1      LEU  58  14.010  -6.934  -6.198
  398   2HD1  LEU  58          2HD1      LEU  58  13.088  -5.454  -6.557
  399   3HD1  LEU  58          3HD1      LEU  58  13.611  -5.794  -4.890
  400   1HD2  LEU  58          1HD2      LEU  58  10.532  -5.394  -5.829
  401   2HD2  LEU  58          2HD2      LEU  58  10.005  -6.665  -4.700
  402   3HD2  LEU  58          3HD2      LEU  58  11.240  -5.485  -4.199
  403    H    ASP  59           H        ASP  59   8.198 -10.112  -7.081
  404    HA   ASP  59           HA       ASP  59   8.452  -9.967  -9.967
  405   1HB   ASP  59          1HB       ASP  59   9.350 -12.153  -8.424
  406   2HB   ASP  59          2HB       ASP  59   7.776 -12.667  -8.999
  407    H    LYS  60           H        LYS  60   6.404  -9.092 -10.416
  408    HA   LYS  60           HA       LYS  60   4.162  -9.608  -8.770
  409   1HB   LYS  60          2HB       LYS  60   2.945  -8.272 -10.398
  410   2HB   LYS  60          1HB       LYS  60   4.464  -7.504  -9.983
  411   1HG   LYS  60          1HG       LYS  60   4.785  -9.338 -12.258
  412   2HG   LYS  60          2HG       LYS  60   3.550  -8.137 -12.579
  413   1HD   LYS  60          1HD       LYS  60   5.099  -6.496 -12.835
  414   2HD   LYS  60          2HD       LYS  60   5.837  -6.868 -11.289
  415   1HE   LYS  60          1HE       LYS  60   7.231  -8.609 -12.281
  416   2HE   LYS  60          2HE       LYS  60   6.359  -8.524 -13.799
  417   1HZ   LYS  60          1HZ       LYS  60   7.380  -6.001 -13.014
  418   2HZ   LYS  60          2HZ       LYS  60   8.568  -7.112 -13.162
  419   3HZ   LYS  60          3HZ       LYS  60   7.575  -6.805 -14.422
  420    H    ALA  61           H        ALA  61   4.831 -12.097  -9.013
  421    HA   ALA  61           HA       ALA  61   2.698 -13.310 -10.334
  422   1HB   ALA  61          1HB       ALA  61   3.708 -14.338 -12.227
  423   2HB   ALA  61          3HB       ALA  61   5.341 -13.839 -11.726
  424   3HB   ALA  61          2HB       ALA  61   4.181 -12.625 -12.316
  425    H    ASP  62           H        ASP  62   3.380 -13.486  -7.767
  426    HA   ASP  62           HA       ASP  62   4.910 -15.962  -7.600
  427   1HB   ASP  62          1HB       ASP  62   5.808 -13.937  -6.354
  428   2HB   ASP  62          2HB       ASP  62   4.339 -13.923  -5.398
  429    H    LYS  63           H        LYS  63   4.120 -17.312  -5.537
  430    HA   LYS  63           HA       LYS  63   1.186 -17.160  -5.456
  431   1HB   LYS  63          1HB       LYS  63   2.741 -19.220  -6.467
  432   2HB   LYS  63          2HB       LYS  63   2.372 -19.771  -4.845
  433   1HG   LYS  63          1HG       LYS  63  -0.091 -18.819  -5.584
  434   2HG   LYS  63          2HG       LYS  63   0.529 -19.288  -7.154
  435   1HD   LYS  63          1HD       LYS  63   0.805 -21.572  -6.503
  436   2HD   LYS  63          2HD       LYS  63   0.738 -21.190  -4.794
  437   1HE   LYS  63          2HE       LYS  63  -1.478 -21.680  -4.845
  438   2HE   LYS  63          1HE       LYS  63  -1.721 -20.233  -5.803
  439   1HZ   LYS  63          1HZ       LYS  63  -0.922 -22.770  -7.029
  440   2HZ   LYS  63          2HZ       LYS  63  -2.490 -22.380  -6.791
  441   3HZ   LYS  63          3HZ       LYS  63  -1.556 -21.456  -7.761
  442    H    SER  64           H        SER  64   4.259 -17.408  -3.713
  443    HA   SER  64           HA       SER  64   3.208 -18.170  -1.263
  444   1HB   SER  64          2HB       SER  64   5.600 -16.328  -1.519
  445   2HB   SER  64          1HB       SER  64   5.341 -17.627  -0.372
  446    HG   SER  64           HG       SER  64   6.804 -17.877  -2.454
  447    H    VAL  65           H        VAL  65   3.113 -16.728   0.749
  448    HA   VAL  65           HA       VAL  65   1.592 -14.364   0.073
  449    HB   VAL  65           HB       VAL  65   0.676 -15.866   1.690
  450   1HG1  VAL  65          1HG1      VAL  65   3.412 -15.728   2.899
  451   2HG1  VAL  65          2HG1      VAL  65   2.019 -15.966   3.981
  452   3HG1  VAL  65          3HG1      VAL  65   2.331 -17.123   2.665
  453   1HG2  VAL  65          1HG2      VAL  65   1.140 -13.124   2.172
  454   2HG2  VAL  65          2HG2      VAL  65  -0.155 -14.145   2.841
  455   3HG2  VAL  65          3HG2      VAL  65   1.372 -13.945   3.734
  456    H    ASN  66           H        ASN  66   4.282 -14.138  -0.740
  457    HA   ASN  66           HA       ASN  66   5.216 -12.203   1.230
  458   1HB   ASN  66          1HB       ASN  66   6.902 -13.983  -0.609
  459   2HB   ASN  66          2HB       ASN  66   7.556 -12.736   0.434
  460   2HD2  ASN  66          2HD2      ASN  66   8.769 -14.099   1.664
  461   1HD2  ASN  66          1HD2      ASN  66   8.118 -15.238   2.795
  462    H    SER  67           H        SER  67   3.557 -12.364  -1.497
  463    HA   SER  67           HA       SER  67   5.202 -10.986  -3.335
  464   1HB   SER  67          1HB       SER  67   3.174 -10.840  -4.704
  465   2HB   SER  67          2HB       SER  67   3.320 -12.452  -4.034
  466    HG   SER  67           HG       SER  67   1.500 -12.184  -2.925
  467    H    TRP  68           H        TRP  68   5.407  -8.764  -3.677
  468    HA   TRP  68           HA       TRP  68   4.089  -7.077  -1.693
  469   1HB   TRP  68          1HB       TRP  68   6.396  -6.754  -1.649
  470   2HB   TRP  68          2HB       TRP  68   6.547  -6.807  -3.395
  471    HD1  TRP  68           HD1      TRP  68   6.783  -4.454  -4.506
  472    HE1  TRP  68           HE1      TRP  68   6.304  -1.928  -3.910
  473    HE3  TRP  68           HE3      TRP  68   4.522  -5.390  -0.049
  474    HZ2  TRP  68           HZ2      TRP  68   5.060  -0.635  -1.691
  475    HZ3  TRP  68           HZ3      TRP  68   3.704  -3.439   1.270
  476    HH2  TRP  68           HH2      TRP  68   3.943  -1.127   0.516
  477    H    TYR  69           H        TYR  69   3.034  -8.390  -4.284
  478    HA   TYR  69           HA       TYR  69   1.975  -5.881  -5.499
  479   1HB   TYR  69          1HB       TYR  69   3.427  -6.857  -7.111
  480   2HB   TYR  69          2HB       TYR  69   2.830  -8.490  -6.771
  481    HD1  TYR  69           HD1      TYR  69   0.506  -9.132  -7.478
  482    HD2  TYR  69           HD2      TYR  69   2.348  -5.448  -8.695
  483    HE1  TYR  69           HE1      TYR  69  -1.153  -8.908  -9.308
  484    HE2  TYR  69           HE2      TYR  69   0.690  -5.223 -10.525
  485    HH   TYR  69           HH       TYR  69  -1.370  -7.739 -11.541
  486    H    LYS  70           H        LYS  70   1.266  -8.599  -3.592
  487    HA   LYS  70           HA       LYS  70  -1.462  -8.708  -4.667
  488   1HB   LYS  70          1HB       LYS  70   0.097 -10.807  -4.446
  489   2HB   LYS  70          2HB       LYS  70  -0.327 -10.725  -2.748
  490   1HG   LYS  70          1HG       LYS  70  -2.813 -10.519  -3.642
  491   2HG   LYS  70          2HG       LYS  70  -2.152 -11.170  -5.129
  492   1HD   LYS  70          1HD       LYS  70  -2.895 -13.076  -3.882
  493   2HD   LYS  70          2HD       LYS  70  -1.149 -13.076  -3.728
  494   1HE   LYS  70          2HE       LYS  70  -2.136 -13.488  -1.525
  495   2HE   LYS  70          1HE       LYS  70  -1.354 -11.920  -1.508
  496   1HZ   LYS  70          1HZ       LYS  70  -3.924 -11.492  -2.364
  497   2HZ   LYS  70          2HZ       LYS  70  -4.054 -12.521  -1.103
  498   3HZ   LYS  70          3HZ       LYS  70  -3.288 -11.091  -0.914
  499    H    VAL  71           H        VAL  71   0.554  -8.330  -1.706
  500    HA   VAL  71           HA       VAL  71  -1.614  -8.013   0.047
  501    HB   VAL  71           HB       VAL  71   0.076  -7.087   1.560
  502   1HG1  VAL  71          1HG1      VAL  71  -0.132  -9.640   0.712
  503   2HG1  VAL  71          2HG1      VAL  71   1.568  -9.324   0.289
  504   3HG1  VAL  71          3HG1      VAL  71   1.014  -9.116   1.969
  505   1HG2  VAL  71          1HG2      VAL  71   1.298  -5.838  -0.312
  506   2HG2  VAL  71          2HG2      VAL  71   2.305  -6.615   0.934
  507   3HG2  VAL  71          3HG2      VAL  71   2.110  -7.384  -0.660
  508    H    VAL  72           H        VAL  72  -0.616  -6.122  -2.582
  509    HA   VAL  72           HA       VAL  72  -1.561  -3.654  -1.321
  510    HB   VAL  72           HB       VAL  72  -0.032  -4.188  -3.875
  511   1HG1  VAL  72          1HG1      VAL  72  -1.700  -2.221  -3.883
  512   2HG1  VAL  72          2HG1      VAL  72  -0.594  -1.455  -2.717
  513   3HG1  VAL  72          3HG1      VAL  72  -0.013  -1.887  -4.343
  514   1HG2  VAL  72          1HG2      VAL  72   0.757  -3.046  -1.182
  515   2HG2  VAL  72          2HG2      VAL  72   1.424  -4.470  -2.016
  516   3HG2  VAL  72          3HG2      VAL  72   1.739  -2.838  -2.652
  517    H    HIS  73           H        HIS  73  -2.058  -5.898  -4.102
  518    HA   HIS  73           HA       HIS  73  -4.578  -4.503  -4.608
  519   1HB   HIS  73          1HB       HIS  73  -3.111  -6.431  -6.425
  520   2HB   HIS  73          2HB       HIS  73  -4.512  -5.460  -6.829
  521    HD1  HIS  73           HD1      HIS  73  -0.789  -5.190  -6.223
  522    HD2  HIS  73           HD2      HIS  73  -3.980  -2.779  -7.489
  523    HE1  HIS  73           HE1      HIS  73   0.253  -3.053  -7.149
  524    H    ASP  74           H        ASP  74  -4.230  -6.255  -2.320
  525    HA   ASP  74           HA       ASP  74  -5.604  -8.652  -3.194
  526   1HB   ASP  74          1HB       ASP  74  -3.956  -9.359  -1.719
  527   2HB   ASP  74          2HB       ASP  74  -3.954  -7.849  -0.828
  528    H    ALA  75           H        ALA  75  -7.840  -8.771  -2.893
  529    HA   ALA  75           HA       ALA  75  -9.064  -6.689  -1.247
  530   1HB   ALA  75          1HB       ALA  75  -9.652  -7.941  -3.776
  531   2HB   ALA  75          3HB       ALA  75 -10.997  -8.245  -2.650
  532   3HB   ALA  75          2HB       ALA  75 -10.478  -6.576  -2.987
  533    H    LYS  76           H        LYS  76  -7.718  -9.552  -0.623
  534    HA   LYS  76           HA       LYS  76  -9.987 -10.752   0.738
  535   1HB   LYS  76          1HB       LYS  76  -8.196 -12.002  -0.659
  536   2HB   LYS  76          2HB       LYS  76  -7.155 -11.790   0.734
  537   1HG   LYS  76          1HG       LYS  76  -9.163 -12.768   2.118
  538   2HG   LYS  76          2HG       LYS  76  -9.782 -13.308   0.570
  539   1HD   LYS  76          1HD       LYS  76  -7.731 -14.600   0.138
  540   2HD   LYS  76          2HD       LYS  76  -6.976 -13.958   1.583
  541   1HE   LYS  76          2HE       LYS  76  -7.896 -15.617   2.823
  542   2HE   LYS  76          1HE       LYS  76  -9.503 -15.075   2.382
  543   1HZ   LYS  76          1HZ       LYS  76  -7.964 -16.666   0.488
  544   2HZ   LYS  76          2HZ       LYS  76  -8.732 -17.407   1.724
  545   3HZ   LYS  76          3HZ       LYS  76  -9.584 -16.532   0.640
  546    H    GLY  77           H        GLY  77  -9.920 -11.238   3.048
  547   1HA   GLY  77          2HA       GLY  77  -9.770 -10.487   5.169
  548   2HA   GLY  77          1HA       GLY  77  -9.053  -9.003   4.574
  549    H    GLY  78           H        GLY  78  -8.150 -10.192   6.966
  550   1HA   GLY  78          2HA       GLY  78  -5.389 -10.824   6.207
  551   2HA   GLY  78          1HA       GLY  78  -6.253 -11.966   7.216
  552    H    ALA  79           H        ALA  79  -4.039 -10.962   8.367
  553    HA   ALA  79           HA       ALA  79  -4.785  -9.973  10.751
  554   1HB   ALA  79          1HB       ALA  79  -2.436  -9.208  10.975
  555   2HB   ALA  79          3HB       ALA  79  -2.227  -9.362   9.215
  556   3HB   ALA  79          2HB       ALA  79  -2.539 -10.809  10.204
  557    H    LYS  80           H        LYS  80  -4.524  -8.218   7.686
  558    HA   LYS  80           HA       LYS  80  -5.937  -6.021   8.797
  559   1HB   LYS  80          1HB       LYS  80  -4.207  -4.299   8.362
  560   2HB   LYS  80          2HB       LYS  80  -3.803  -5.369   9.689
  561   1HG   LYS  80          1HG       LYS  80  -2.003  -6.280   8.587
  562   2HG   LYS  80          2HG       LYS  80  -2.836  -6.325   7.046
  563   1HD   LYS  80          1HD       LYS  80  -1.902  -3.694   8.258
  564   2HD   LYS  80          2HD       LYS  80  -0.820  -4.687   7.301
  565   1HE   LYS  80          1HE       LYS  80  -2.534  -4.640   5.422
  566   2HE   LYS  80          2HE       LYS  80  -3.490  -3.524   6.376
  567   1HZ   LYS  80          1HZ       LYS  80  -0.691  -2.901   5.911
  568   2HZ   LYS  80          2HZ       LYS  80  -1.756  -2.659   4.697
  569   3HZ   LYS  80          3HZ       LYS  80  -1.954  -1.888   6.122
  570    HA   PRO  81           HA       PRO  81  -7.365  -5.795   4.694
  571   1HB   PRO  81          1HB       PRO  81  -7.802  -3.043   4.516
  572   2HB   PRO  81          2HB       PRO  81  -8.864  -4.193   5.393
  573   1HG   PRO  81          2HG       PRO  81  -6.723  -2.576   6.227
  574   2HG   PRO  81          1HG       PRO  81  -8.211  -2.561   7.230
  575   1HD   PRO  81          1HD       PRO  81  -6.216  -3.986   8.152
  576   2HD   PRO  81          2HD       PRO  81  -7.754  -4.876   7.942
  577    H    THR  82           H        THR  82  -6.983  -3.975   2.677
  578    HA   THR  82           HA       THR  82  -4.059  -3.632   2.577
  579    HB   THR  82           HB       THR  82  -4.271  -4.319   0.155
  580    HG1  THR  82           HG1      THR  82  -6.926  -5.145   1.059
  581   1HG2  THR  82          1HG2      THR  82  -5.477  -6.306   2.152
  582   2HG2  THR  82          2HG2      THR  82  -4.887  -6.731   0.528
  583   3HG2  THR  82          3HG2      THR  82  -3.748  -6.141   1.762
  584    H    CYS  83           H        CYS  83  -3.956  -2.372   0.063
  585    HA   CYS  83           HA       CYS  83  -4.861   0.221   0.889
  586   1HB   CYS  83          2HB       CYS  83  -3.518  -0.387  -1.730
  587   2HB   CYS  83          1HB       CYS  83  -3.493   1.095  -0.797
  588    H    ILE  84           H        ILE  84  -6.391  -2.379  -0.445
  589    HA   ILE  84           HA       ILE  84  -7.990  -0.705  -2.255
  590    HB   ILE  84           HB       ILE  84  -7.109  -3.557  -2.393
  591   1HG1  ILE  84          1HG1      ILE  84  -5.865  -1.859  -3.634
  592   2HG1  ILE  84          2HG1      ILE  84  -6.661  -2.984  -4.716
  593   1HG2  ILE  84          1HG2      ILE  84  -9.756  -2.478  -3.287
  594   2HG2  ILE  84          2HG2      ILE  84  -8.919  -3.687  -4.291
  595   3HG2  ILE  84          3HG2      ILE  84  -9.337  -4.068  -2.604
  596   1HD1  ILE  84          1HD1      ILE  84  -8.633  -1.147  -4.580
  597   2HD1  ILE  84          2HD1      ILE  84  -7.253  -0.084  -4.214
  598   3HD1  ILE  84          3HD1      ILE  84  -7.289  -1.003  -5.738
  599    H    SER  85           H        SER  85  -7.995  -3.270   0.279
  600    HA   SER  85           HA       SER  85 -10.686  -3.609   0.474
  601   1HB   SER  85          2HB       SER  85  -8.846  -3.527   2.893
  602   2HB   SER  85          1HB       SER  85 -10.267  -4.527   2.661
  603    HG   SER  85           HG       SER  85  -8.865  -5.298   0.655
  604    H    CYS  86           H        CYS  86  -8.626  -1.409   2.528
  605    HA   CYS  86           HA       CYS  86 -10.783  -0.160   3.754
  606   1HB   CYS  86          1HB       CYS  86  -8.360  -0.154   4.503
  607   2HB   CYS  86          2HB       CYS  86  -8.051   1.069   3.287
  608    H    HIS  87           H        HIS  87  -8.603   0.978   1.061
  609    HA   HIS  87           HA       HIS  87  -9.839   3.299   0.458
  610   1HB   HIS  87          1HB       HIS  87  -8.354   1.266  -1.163
  611   2HB   HIS  87          2HB       HIS  87  -9.136   2.591  -2.002
  612    HD1  HIS  87           HD1      HIS  87  -6.989   3.816  -2.678
  613    HD2  HIS  87           HD2      HIS  87  -7.302   3.160   1.454
  614    HE1  HIS  87           HE1      HIS  87  -5.127   5.183  -1.594
  615    H    LYS  88           H        LYS  88 -10.860  -0.031  -0.410
  616    HA   LYS  88           HA       LYS  88 -12.856   0.680  -2.217
  617   1HB   LYS  88          1HB       LYS  88 -12.205  -1.717  -0.552
  618   2HB   LYS  88          2HB       LYS  88 -13.803  -1.627  -1.266
  619   1HG   LYS  88          1HG       LYS  88 -11.354  -1.058  -2.965
  620   2HG   LYS  88          2HG       LYS  88 -11.823  -2.714  -2.637
  621   1HD   LYS  88          1HD       LYS  88 -13.665  -2.606  -4.004
  622   2HD   LYS  88          2HD       LYS  88 -14.088  -0.989  -3.478
  623   1HE   LYS  88          1HE       LYS  88 -13.397  -1.106  -5.905
  624   2HE   LYS  88          2HE       LYS  88 -12.438   0.018  -4.962
  625   1HZ   LYS  88          1HZ       LYS  88 -11.585  -2.754  -5.360
  626   2HZ   LYS  88          2HZ       LYS  88 -11.212  -1.579  -6.431
  627   3HZ   LYS  88          3HZ       LYS  88 -10.681  -1.479  -4.890
  628    H    ASP  89           H        ASP  89 -12.963   0.146   1.365
  629    HA   ASP  89           HA       ASP  89 -15.633   0.490   1.696
  630   1HB   ASP  89          1HB       ASP  89 -13.607   0.023   3.374
  631   2HB   ASP  89          2HB       ASP  89 -13.690   1.753   3.643
  632    H    LYS  90           H        LYS  90 -12.966   2.903   1.398
  633    HA   LYS  90           HA       LYS  90 -14.486   5.162   2.066
  634   1HB   LYS  90          1HB       LYS  90 -11.830   4.577   0.903
  635   2HB   LYS  90          2HB       LYS  90 -12.512   6.123   0.440
  636   1HG   LYS  90          2HG       LYS  90 -12.129   5.105   3.295
  637   2HG   LYS  90          1HG       LYS  90 -11.196   6.365   2.513
  638   1HD   LYS  90          1HD       LYS  90 -13.743   7.343   2.152
  639   2HD   LYS  90          2HD       LYS  90 -13.951   6.479   3.662
  640   1HE   LYS  90          1HE       LYS  90 -11.991   7.707   4.630
  641   2HE   LYS  90          2HE       LYS  90 -11.793   8.576   3.122
  642   1HZ   LYS  90          1HZ       LYS  90 -14.423   8.865   3.819
  643   2HZ   LYS  90          2HZ       LYS  90 -13.592   9.085   5.208
  644   3HZ   LYS  90          3HZ       LYS  90 -13.255  10.004   3.900
  645    H    ALA  91           H        ALA  91 -13.778   3.504  -1.061
  646    HA   ALA  91           HA       ALA  91 -15.516   5.398  -2.422
  647   1HB   ALA  91          1HB       ALA  91 -14.276   3.059  -3.813
  648   2HB   ALA  91          3HB       ALA  91 -14.428   4.753  -4.339
  649   3HB   ALA  91          2HB       ALA  91 -13.172   4.294  -3.163
  650    H    GLY  92           H        GLY  92 -16.397   3.320  -0.326
  651   1HA   GLY  92          2HA       GLY  92 -17.863   1.566  -0.149
  652   2HA   GLY  92          1HA       GLY  92 -17.948   1.433  -1.894
  653    H    ASP  93           H        ASP  93 -18.885   3.658  -2.952
  654    HA   ASP  93           HA       ASP  93 -21.497   3.705  -2.535
  655   1HB   ASP  93          1HB       ASP  93 -21.750   5.954  -1.221
  656   2HB   ASP  93          2HB       ASP  93 -21.507   4.476  -0.311
  657    H    ASP  94           H        ASP  94 -18.856   6.226  -2.455
  658    HA   ASP  94           HA       ASP  94 -20.131   7.742  -4.476
  659   1HB   ASP  94          1HB       ASP  94 -18.747   8.843  -2.781
  660   2HB   ASP  94          2HB       ASP  94 -17.361   7.859  -3.205
  661    H    LYS  95           H        LYS  95 -19.855   7.464  -6.705
  662    HA   LYS  95           HA       LYS  95 -18.211   5.335  -7.628
  663   1HB   LYS  95          1HB       LYS  95 -19.980   7.379  -8.978
  664   2HB   LYS  95          2HB       LYS  95 -19.015   6.240  -9.894
  665   1HG   LYS  95          1HG       LYS  95 -20.087   4.358  -8.546
  666   2HG   LYS  95          2HG       LYS  95 -21.144   5.550  -7.816
  667   1HD   LYS  95          1HD       LYS  95 -20.996   5.571 -10.813
  668   2HD   LYS  95          2HD       LYS  95 -21.781   4.183 -10.087
  669   1HE   LYS  95          1HE       LYS  95 -23.657   5.449  -9.891
  670   2HE   LYS  95          2HE       LYS  95 -22.831   6.370  -8.650
  671   1HZ   LYS  95          1HZ       LYS  95 -22.455   6.985 -11.485
  672   2HZ   LYS  95          2HZ       LYS  95 -23.703   7.612 -10.639
  673   3HZ   LYS  95          3HZ       LYS  95 -22.167   7.943 -10.194
  674    H    GLU  96           H        GLU  96 -18.032   8.924  -7.586
  675    HA   GLU  96           HA       GLU  96 -15.809   9.078  -9.252
  676   1HB   GLU  96          1HB       GLU  96 -17.446  10.939  -8.504
  677   2HB   GLU  96          2HB       GLU  96 -16.487  11.053  -7.042
  678   1HG   GLU  96          2HG       GLU  96 -15.699  12.702  -8.696
  679   2HG   GLU  96          1HG       GLU  96 -14.447  11.514  -8.394
  680    H    LEU  97           H        LEU  97 -16.220   8.178  -5.883
  681    HA   LEU  97           HA       LEU  97 -13.498   8.741  -5.166
  682   1HB   LEU  97          1HB       LEU  97 -15.651   8.723  -3.705
  683   2HB   LEU  97          2HB       LEU  97 -15.382   6.994  -3.620
  684    HG   LEU  97           HG       LEU  97 -14.382   7.815  -1.686
  685   1HD1  LEU  97          1HD1      LEU  97 -12.914   6.298  -3.033
  686   2HD1  LEU  97          2HD1      LEU  97 -12.051   7.741  -3.616
  687   3HD1  LEU  97          3HD1      LEU  97 -12.047   7.343  -1.881
  688   1HD2  LEU  97          1HD2      LEU  97 -14.516  10.218  -2.409
  689   2HD2  LEU  97          2HD2      LEU  97 -13.068   9.790  -1.467
  690   3HD2  LEU  97          3HD2      LEU  97 -12.955   9.990  -3.232
  691    H    LYS  98           H        LYS  98 -15.281   6.195  -6.755
  692    HA   LYS  98           HA       LYS  98 -13.295   4.194  -6.115
  693   1HB   LYS  98          1HB       LYS  98 -15.735   3.678  -6.256
  694   2HB   LYS  98          2HB       LYS  98 -15.690   4.044  -7.969
  695   1HG   LYS  98          1HG       LYS  98 -14.840   1.997  -8.454
  696   2HG   LYS  98          2HG       LYS  98 -13.515   2.222  -7.330
  697   1HD   LYS  98          2HD       LYS  98 -14.765   0.283  -6.588
  698   2HD   LYS  98          1HD       LYS  98 -15.072   1.570  -5.438
  699   1HE   LYS  98          1HE       LYS  98 -17.154   2.105  -6.997
  700   2HE   LYS  98          2HE       LYS  98 -16.917   0.468  -7.576
  701   1HZ   LYS  98          1HZ       LYS  98 -17.049   1.029  -4.711
  702   2HZ   LYS  98          2HZ       LYS  98 -18.410   0.822  -5.588
  703   3HZ   LYS  98          3HZ       LYS  98 -17.315  -0.384  -5.484
  704    H    LYS  99           H        LYS  99 -12.661   6.795  -7.591
  705    HA   LYS  99           HA       LYS  99 -11.226   5.478  -9.752
  706   1HB   LYS  99          1HB       LYS  99 -13.389   7.474 -10.104
  707   2HB   LYS  99          2HB       LYS  99 -11.924   7.784 -11.014
  708   1HG   LYS  99          1HG       LYS  99 -12.981   4.964 -11.023
  709   2HG   LYS  99          2HG       LYS  99 -13.879   6.160 -11.937
  710   1HD   LYS  99          1HD       LYS  99 -11.690   6.822 -13.073
  711   2HD   LYS  99          2HD       LYS  99 -10.922   5.471 -12.263
  712   1HE   LYS  99          1HE       LYS  99 -13.452   4.868 -13.770
  713   2HE   LYS  99          2HE       LYS  99 -12.043   5.266 -14.734
  714   1HZ   LYS  99          1HZ       LYS  99 -11.798   3.328 -12.572
  715   2HZ   LYS  99          2HZ       LYS  99 -12.430   2.863 -14.004
  716   3HZ   LYS  99          3HZ       LYS  99 -10.912   3.462 -13.937
  717    H    LYS 100           H        LYS 100 -10.155   6.077  -7.295
  718    HA   LYS 100           HA       LYS 100  -8.115   7.883  -8.025
  719   1HB   LYS 100          1HB       LYS 100  -8.685   9.376  -5.900
  720   2HB   LYS 100          2HB       LYS 100  -9.270   9.769  -7.504
  721   1HG   LYS 100          1HG       LYS 100 -11.372   8.378  -6.939
  722   2HG   LYS 100          2HG       LYS 100 -10.797   8.343  -5.284
  723   1HD   LYS 100          1HD       LYS 100 -11.138  10.958  -6.811
  724   2HD   LYS 100          2HD       LYS 100 -12.460  10.229  -5.920
  725   1HE   LYS 100          1HE       LYS 100 -11.075  10.270  -3.833
  726   2HE   LYS 100          2HE       LYS 100  -9.752  10.997  -4.724
  727   1HZ   LYS 100          1HZ       LYS 100 -11.960  12.526  -5.259
  728   2HZ   LYS 100          2HZ       LYS 100 -12.025  12.234  -3.654
  729   3HZ   LYS 100          3HZ       LYS 100 -10.696  12.925  -4.305
  730    H    LEU 101           H        LEU 101  -9.925   6.233  -5.374
  731    HA   LEU 101           HA       LEU 101  -7.402   5.728  -4.022
  732   1HB   LEU 101          2HB       LEU 101 -10.245   5.094  -3.218
  733   2HB   LEU 101          1HB       LEU 101  -8.819   4.852  -2.229
  734    HG   LEU 101           HG       LEU 101 -10.171   7.417  -3.014
  735   1HD1  LEU 101          1HD1      LEU 101 -10.506   5.988  -0.830
  736   2HD1  LEU 101          2HD1      LEU 101  -9.009   6.808  -0.323
  737   3HD1  LEU 101          3HD1      LEU 101 -10.443   7.766  -0.764
  738   1HD2  LEU 101          1HD2      LEU 101  -7.844   7.753  -3.658
  739   2HD2  LEU 101          2HD2      LEU 101  -8.246   8.703  -2.207
  740   3HD2  LEU 101          3HD2      LEU 101  -7.304   7.201  -2.055
  741    H    THR 102           H        THR 102  -9.927   4.137  -5.965
  742    HA   THR 102           HA       THR 102  -8.300   1.682  -5.852
  743    HB   THR 102           HB       THR 102 -10.358   0.407  -5.875
  744    HG1  THR 102           HG1      THR 102 -11.599   1.659  -7.340
  745   1HG2  THR 102          1HG2      THR 102  -9.947   2.376  -3.820
  746   2HG2  THR 102          2HG2      THR 102 -11.686   2.372  -4.201
  747   3HG2  THR 102          3HG2      THR 102 -10.881   0.866  -3.700
  748    H    GLY 103           H        GLY 103  -8.753   4.301  -7.671
  749   1HA   GLY 103          2HA       GLY 103  -8.617   4.754  -9.868
  750   2HA   GLY 103          1HA       GLY 103  -9.646   3.366 -10.160
  751    H    CYS 104           H        CYS 104  -8.782   1.685 -11.304
  752    HA   CYS 104           HA       CYS 104  -6.293   0.608 -10.858
  753   1HB   CYS 104          1HB       CYS 104  -8.408   0.351 -12.876
  754   2HB   CYS 104          2HB       CYS 104  -6.807  -0.010 -13.492
  755    H    LYS 105           H        LYS 105  -7.424   2.898 -13.451
  756    HA   LYS 105           HA       LYS 105  -4.628   3.755 -13.712
  757   1HB   LYS 105          1HB       LYS 105  -4.954   4.022 -16.104
  758   2HB   LYS 105          2HB       LYS 105  -5.253   2.362 -15.630
  759   1HG   LYS 105          1HG       LYS 105  -7.580   2.538 -15.945
  760   2HG   LYS 105          2HG       LYS 105  -7.592   4.273 -15.696
  761   1HD   LYS 105          1HD       LYS 105  -7.604   4.507 -17.954
  762   2HD   LYS 105          2HD       LYS 105  -5.944   3.948 -17.953
  763   1HE   LYS 105          1HE       LYS 105  -6.906   1.540 -17.985
  764   2HE   LYS 105          2HE       LYS 105  -8.461   2.270 -18.331
  765   1HZ   LYS 105          1HZ       LYS 105  -6.084   2.870 -19.936
  766   2HZ   LYS 105          2HZ       LYS 105  -7.072   1.616 -20.282
  767   3HZ   LYS 105          3HZ       LYS 105  -7.648   3.144 -20.317
  768    H    GLY 106           H        GLY 106  -4.270   5.954 -13.665
  769   1HA   GLY 106          2HA       GLY 106  -6.381   7.833 -14.146
  770   2HA   GLY 106          1HA       GLY 106  -4.744   8.169 -13.621
  771    H    SER 107           H        SER 107  -4.541   6.653 -11.247
  772    HA   SER 107           HA       SER 107  -6.626   7.918  -9.644
  773   1HB   SER 107          2HB       SER 107  -6.558   6.065  -8.106
  774   2HB   SER 107          1HB       SER 107  -6.714   5.387  -9.714
  775    HG   SER 107           HG       SER 107  -5.069   4.185  -8.921
  776    H    ALA 108           H        ALA 108  -5.644   7.824  -7.125
  777    HA   ALA 108           HA       ALA 108  -3.449   9.639  -7.247
  778   1HB   ALA 108          1HB       ALA 108  -3.716   9.524  -4.724
  779   2HB   ALA 108          3HB       ALA 108  -5.019   8.342  -4.990
  780   3HB   ALA 108          2HB       ALA 108  -5.180   9.999  -5.619
  781    H    CYS 109           H        CYS 109  -3.629   6.306  -7.563
  782    HA   CYS 109           HA       CYS 109  -1.115   5.899  -6.131
  783   1HB   CYS 109          1HB       CYS 109  -3.171   3.908  -7.137
  784   2HB   CYS 109          2HB       CYS 109  -1.619   3.453  -6.463
  785    H    HIS 110           H        HIS 110  -2.858   5.324  -9.263
  786    HA   HIS 110           HA       HIS 110  -0.221   5.201 -10.536
  787   1HB   HIS 110          2HB       HIS 110  -2.783   3.819 -11.384
  788   2HB   HIS 110          1HB       HIS 110  -1.269   3.784 -12.266
  789    HD1  HIS 110           HD1      HIS 110   0.813   3.078 -10.233
  790    HD2  HIS 110           HD2      HIS 110  -3.033   1.406 -10.152
  791    HE1  HIS 110           HE1      HIS 110   1.008   0.899  -8.918
  792    HA   PRO 111           HA       PRO 111  -2.261   8.856 -12.295
  793   1HB   PRO 111          1HB       PRO 111  -0.471  10.735 -11.599
  794   2HB   PRO 111          2HB       PRO 111  -1.531  10.000 -10.353
  795   1HG   PRO 111          2HG       PRO 111   1.083   9.332 -11.281
  796   2HG   PRO 111          1HG       PRO 111   1.008   9.344  -9.489
  797   1HD   PRO 111          1HD       PRO 111   1.001   7.002 -10.827
  798   2HD   PRO 111          2HD       PRO 111  -0.139   7.232  -9.466
  799    H    SER 112           H        SER 112  -1.524   7.283 -14.217
  800    HA   SER 112           HA       SER 112   0.598   8.741 -15.567
  801   1HB   SER 112          1HB       SER 112   0.454   5.823 -14.971
  802   2HB   SER 112          2HB       SER 112   0.894   6.218 -16.620
  803    HG   SER 112           HG       SER 112   2.247   7.801 -14.767

  No H/Q in entry =         803
  Start of MODEL   13
    1    H1   VAL   1           H1       VAL   1   8.090   8.577  17.327
    2    H2   VAL   1           H2       VAL   1   9.149   7.662  18.212
    3    H3   VAL   1           H3       VAL   1   9.367   9.299  18.095
    4    HA   VAL   1           HA       VAL   1  10.923   8.356  16.725
    5    HB   VAL   1           HB       VAL   1  10.123   6.157  16.540
    6   1HG1  VAL   1          1HG1      VAL   1   7.587   7.434  15.982
    7   2HG1  VAL   1          2HG1      VAL   1   7.935   6.182  14.766
    8   3HG1  VAL   1          3HG1      VAL   1   7.927   5.764  16.496
    9   1HG2  VAL   1          1HG2      VAL   1  11.319   7.188  14.516
   10   2HG2  VAL   1          2HG2      VAL   1  10.452   5.655  14.260
   11   3HG2  VAL   1          3HG2      VAL   1   9.724   7.189  13.726
   12    H    ASP   2           H        ASP   2   8.014  10.066  16.558
   13    HA   ASP   2           HA       ASP   2   7.288  11.705  15.340
   14   1HB   ASP   2          1HB       ASP   2   9.579  12.623  15.694
   15   2HB   ASP   2          2HB       ASP   2  10.146  11.788  14.261
   16    H    VAL   3           H        VAL   3   5.810  10.927  13.804
   17    HA   VAL   3           HA       VAL   3   6.403   9.098  11.816
   18    HB   VAL   3           HB       VAL   3   4.174  10.022  12.850
   19   1HG1  VAL   3          1HG1      VAL   3   4.671  12.311  11.733
   20   2HG1  VAL   3          2HG1      VAL   3   4.086  11.534  10.242
   21   3HG1  VAL   3          3HG1      VAL   3   3.015  11.663  11.658
   22   1HG2  VAL   3          1HG2      VAL   3   4.578   8.109  11.187
   23   2HG2  VAL   3          2HG2      VAL   3   2.962   8.855  11.200
   24   3HG2  VAL   3          3HG2      VAL   3   4.126   9.276   9.920
   25    HA   PRO   4           HA       PRO   4   9.125  11.205   9.081
   26   1HB   PRO   4          1HB       PRO   4   7.557   9.479   7.131
   27   2HB   PRO   4          2HB       PRO   4   9.324   9.733   7.303
   28   1HG   PRO   4          1HG       PRO   4   8.272   7.521   8.383
   29   2HG   PRO   4          2HG       PRO   4   9.633   8.378   9.176
   30   1HD   PRO   4          2HD       PRO   4   6.704   8.260   9.894
   31   2HD   PRO   4          1HD       PRO   4   8.120   8.550  10.950
   32    H    ALA   5           H        ALA   5   8.918  12.679   7.134
   33    HA   ALA   5           HA       ALA   5   6.371  14.053   7.284
   34   1HB   ALA   5          1HB       ALA   5   7.526  15.869   6.264
   35   2HB   ALA   5          3HB       ALA   5   8.823  14.808   5.663
   36   3HB   ALA   5          2HB       ALA   5   8.689  15.150   7.405
   37    H    ASP   6           H        ASP   6   5.171  14.655   5.321
   38    HA   ASP   6           HA       ASP   6   4.581  12.516   3.768
   39   1HB   ASP   6          1HB       ASP   6   3.198  13.984   2.534
   40   2HB   ASP   6          2HB       ASP   6   3.355  14.790   4.082
   41    H    GLY   7           H        GLY   7   4.632  13.196   1.045
   42   1HA   GLY   7          2HA       GLY   7   7.150  14.172   0.148
   43   2HA   GLY   7          1HA       GLY   7   5.917  13.366  -0.801
   44    H    ALA   8           H        ALA   8   5.727  10.903   0.737
   45    HA   ALA   8           HA       ALA   8   8.436   9.826   0.594
   46   1HB   ALA   8          1HB       ALA   8   5.951   9.252   2.088
   47   2HB   ALA   8          2HB       ALA   8   7.649   8.953   2.533
   48   3HB   ALA   8          3HB       ALA   8   6.789   7.803   1.481
   49    H    LYS   9           H        LYS   9   9.070   9.037  -1.348
   50    HA   LYS   9           HA       LYS   9   7.016   8.138  -3.194
   51   1HB   LYS   9          2HB       LYS   9   8.391   8.866  -4.793
   52   2HB   LYS   9          1HB       LYS   9   9.331   9.606  -3.513
   53   1HG   LYS   9          1HG       LYS   9  10.496   7.255  -3.309
   54   2HG   LYS   9          2HG       LYS   9   9.800   6.936  -4.885
   55   1HD   LYS   9          1HD       LYS   9  10.874   9.128  -5.688
   56   2HD   LYS   9          2HD       LYS   9  11.720   9.192  -4.155
   57   1HE   LYS   9          1HE       LYS   9  12.326   6.630  -4.872
   58   2HE   LYS   9          2HE       LYS   9  12.116   7.320  -6.469
   59   1HZ   LYS   9          1HZ       LYS   9  13.585   9.147  -5.076
   60   2HZ   LYS   9          2HZ       LYS   9  14.223   7.706  -4.650
   61   3HZ   LYS   9          3HZ       LYS   9  14.136   8.127  -6.226
   62    H    ILE  10           H        ILE  10   6.651   6.023  -3.748
   63    HA   ILE  10           HA       ILE  10   8.397   4.068  -2.421
   64    HB   ILE  10           HB       ILE  10   5.457   3.842  -3.079
   65   1HG1  ILE  10          1HG1      ILE  10   6.614   3.969  -0.302
   66   2HG1  ILE  10          2HG1      ILE  10   6.263   5.444  -1.181
   67   1HG2  ILE  10          1HG2      ILE  10   7.443   1.938  -1.844
   68   2HG2  ILE  10          2HG2      ILE  10   5.695   1.813  -1.530
   69   3HG2  ILE  10          3HG2      ILE  10   6.313   1.668  -3.193
   70   1HD1  ILE  10          1HD1      ILE  10   4.199   3.225  -0.897
   71   2HD1  ILE  10          2HD1      ILE  10   4.378   4.517   0.314
   72   3HD1  ILE  10          3HD1      ILE  10   3.929   4.922  -1.361
   73    H    ASP  11           H        ASP  11   9.703   3.017  -3.809
   74    HA   ASP  11           HA       ASP  11   8.550   2.126  -6.284
   75   1HB   ASP  11          1HB       ASP  11   9.481   4.212  -7.049
   76   2HB   ASP  11          2HB       ASP  11  10.930   4.009  -6.083
   77    H    PHE  12           H        PHE  12   8.884  -0.041  -5.509
   78    HA   PHE  12           HA       PHE  12  11.682  -0.729  -4.943
   79   1HB   PHE  12          1HB       PHE  12   9.015  -2.039  -4.138
   80   2HB   PHE  12          2HB       PHE  12  10.590  -2.641  -3.662
   81    HD1  PHE  12           HD1      PHE  12  11.963  -0.107  -2.944
   82    HD2  PHE  12           HD2      PHE  12   8.017  -1.433  -2.123
   83    HE1  PHE  12           HE1      PHE  12  11.900   1.346  -0.897
   84    HE2  PHE  12           HE2      PHE  12   7.954   0.019  -0.077
   85    HZ   PHE  12           HZ       PHE  12   9.896   1.391   0.512
   86    H    ILE  13           H        ILE  13   8.794  -1.326  -6.893
   87    HA   ILE  13           HA       ILE  13  10.042  -3.690  -8.064
   88    HB   ILE  13           HB       ILE  13   7.273  -2.513  -8.295
   89   1HG1  ILE  13          1HG1      ILE  13   8.212  -5.102  -7.026
   90   2HG1  ILE  13          2HG1      ILE  13   7.872  -3.629  -6.139
   91   1HG2  ILE  13          1HG2      ILE  13   8.575  -4.809  -9.750
   92   2HG2  ILE  13          2HG2      ILE  13   6.817  -4.746  -9.478
   93   3HG2  ILE  13          3HG2      ILE  13   7.621  -3.457 -10.404
   94   1HD1  ILE  13          1HD1      ILE  13   5.548  -3.742  -7.455
   95   2HD1  ILE  13          2HD1      ILE  13   5.964  -5.469  -7.573
   96   3HD1  ILE  13          3HD1      ILE  13   5.808  -4.699  -5.976
   97    H    ALA  14           H        ALA  14  11.794  -2.599  -9.135
   98    HA   ALA  14           HA       ALA  14  11.455  -0.399 -10.799
   99   1HB   ALA  14          1HB       ALA  14  13.604  -1.378  -9.889
  100   2HB   ALA  14          3HB       ALA  14  13.651  -0.963 -11.619
  101   3HB   ALA  14          2HB       ALA  14  13.465  -2.660 -11.116
  102    H    GLY  15           H        GLY  15  12.036  -0.652 -13.314
  103   1HA   GLY  15          2HA       GLY  15   9.985  -1.252 -14.799
  104   2HA   GLY  15          1HA       GLY  15  10.529  -2.886 -14.478
  105    H    GLY  16           H        GLY  16  11.031   0.012 -16.342
  106   1HA   GLY  16          2HA       GLY  16  12.598  -1.202 -18.280
  107   2HA   GLY  16          1HA       GLY  16  13.710  -0.436 -17.164
  108    H    GLU  17           H        GLU  17  11.153   0.072 -19.567
  109    HA   GLU  17           HA       GLU  17  12.127   2.423 -20.463
  110   1HB   GLU  17          1HB       GLU  17   9.300   1.307 -20.482
  111   2HB   GLU  17          2HB       GLU  17   9.705   2.795 -21.315
  112   1HG   GLU  17          1HG       GLU  17  11.194   1.699 -22.821
  113   2HG   GLU  17          2HG       GLU  17  11.358   0.293 -21.787
  114    H    LYS  18           H        LYS  18  10.046   1.815 -17.648
  115    HA   LYS  18           HA       LYS  18  10.526   4.482 -16.728
  116   1HB   LYS  18          2HB       LYS  18   8.256   5.233 -16.591
  117   2HB   LYS  18          1HB       LYS  18   8.594   4.814 -18.259
  118   1HG   LYS  18          1HG       LYS  18   7.639   2.431 -17.563
  119   2HG   LYS  18          2HG       LYS  18   6.912   3.313 -16.236
  120   1HD   LYS  18          1HD       LYS  18   5.338   4.256 -17.587
  121   2HD   LYS  18          2HD       LYS  18   6.530   4.731 -18.780
  122   1HE   LYS  18          1HE       LYS  18   6.514   2.480 -19.777
  123   2HE   LYS  18          2HE       LYS  18   5.470   1.879 -18.504
  124   1HZ   LYS  18          1HZ       LYS  18   4.678   4.092 -20.256
  125   2HZ   LYS  18          2HZ       LYS  18   4.360   2.531 -20.615
  126   3HZ   LYS  18          3HZ       LYS  18   3.722   3.206 -19.272
  127    H    ASN  19           H        ASN  19   8.368   4.404 -14.756
  128    HA   ASN  19           HA       ASN  19   8.400   1.919 -13.473
  129   1HB   ASN  19          1HB       ASN  19   9.716   2.722 -11.418
  130   2HB   ASN  19          2HB       ASN  19  10.691   2.391 -12.837
  131   2HD2  ASN  19          2HD2      ASN  19  11.970   3.856 -11.215
  132   1HD2  ASN  19          1HD2      ASN  19  11.989   5.545 -11.597
  133    H    LEU  20           H        LEU  20   6.507   1.968 -12.233
  134    HA   LEU  20           HA       LEU  20   5.151   4.462 -11.925
  135   1HB   LEU  20          1HB       LEU  20   4.505   1.641 -11.066
  136   2HB   LEU  20          2HB       LEU  20   3.441   3.009 -10.805
  137    HG   LEU  20           HG       LEU  20   4.270   1.760 -13.427
  138   1HD1  LEU  20          1HD1      LEU  20   1.939   1.638 -11.708
  139   2HD1  LEU  20          2HD1      LEU  20   1.511   2.198 -13.342
  140   3HD1  LEU  20          3HD1      LEU  20   2.368   0.652 -13.127
  141   1HD2  LEU  20          1HD2      LEU  20   2.978   4.457 -12.973
  142   2HD2  LEU  20          2HD2      LEU  20   4.470   4.085 -13.869
  143   3HD2  LEU  20          3HD2      LEU  20   2.893   3.570 -14.514
  144    H    THR  21           H        THR  21   5.574   5.907 -10.353
  145    HA   THR  21           HA       THR  21   6.612   4.844  -7.810
  146    HB   THR  21           HB       THR  21   6.906   7.720  -8.717
  147    HG1  THR  21           HG1      THR  21   8.893   6.808  -9.821
  148   1HG2  THR  21          1HG2      THR  21   7.864   6.326  -6.525
  149   2HG2  THR  21          2HG2      THR  21   9.191   6.100  -7.689
  150   3HG2  THR  21          3HG2      THR  21   8.677   7.742  -7.234
  151    H    VAL  22           H        VAL  22   5.094   4.666  -6.290
  152    HA   VAL  22           HA       VAL  22   2.815   6.465  -6.423
  153    HB   VAL  22           HB       VAL  22   3.450   3.994  -4.804
  154   1HG1  VAL  22          1HG1      VAL  22   1.470   6.092  -4.331
  155   2HG1  VAL  22          2HG1      VAL  22   0.725   4.489  -4.544
  156   3HG1  VAL  22          3HG1      VAL  22   1.969   4.733  -3.295
  157   1HG2  VAL  22          1HG2      VAL  22   2.844   3.899  -7.324
  158   2HG2  VAL  22          2HG2      VAL  22   1.967   2.839  -6.194
  159   3HG2  VAL  22          3HG2      VAL  22   1.203   4.332  -6.789
  160    H    VAL  23           H        VAL  23   2.285   7.969  -4.810
  161    HA   VAL  23           HA       VAL  23   4.500   8.532  -2.970
  162    HB   VAL  23           HB       VAL  23   2.364  10.299  -4.175
  163   1HG1  VAL  23          1HG1      VAL  23   4.205  10.711  -1.869
  164   2HG1  VAL  23          2HG1      VAL  23   4.034  12.058  -3.019
  165   3HG1  VAL  23          3HG1      VAL  23   2.598  11.403  -2.196
  166   1HG2  VAL  23          1HG2      VAL  23   5.234   9.760  -4.773
  167   2HG2  VAL  23          2HG2      VAL  23   3.894  10.190  -5.862
  168   3HG2  VAL  23          3HG2      VAL  23   4.683  11.450  -4.883
  169    H    PHE  24           H        PHE  24   4.148   8.570  -0.769
  170    HA   PHE  24           HA       PHE  24   1.367   8.163   0.075
  171   1HB   PHE  24          1HB       PHE  24   2.970   6.109   0.074
  172   2HB   PHE  24          2HB       PHE  24   3.932   6.958   1.268
  173    HD1  PHE  24           HD1      PHE  24   0.407   5.866   0.700
  174    HD2  PHE  24           HD2      PHE  24   3.519   6.551   3.503
  175    HE1  PHE  24           HE1      PHE  24  -1.034   4.928   2.529
  176    HE2  PHE  24           HE2      PHE  24   2.078   5.613   5.332
  177    HZ   PHE  24           HZ       PHE  24  -0.181   4.813   4.823
  178    H    ASN  25           H        ASN  25   0.790   9.064   2.132
  179    HA   ASN  25           HA       ASN  25   2.849  10.761   3.286
  180   1HB   ASN  25          1HB       ASN  25   0.174  11.953   3.508
  181   2HB   ASN  25          2HB       ASN  25   1.653  12.682   2.914
  182   2HD2  ASN  25          2HD2      ASN  25  -1.388  11.499   2.139
  183   1HD2  ASN  25          1HD2      ASN  25  -1.278  11.472   0.410
  184    H    HIS  26           H        HIS  26   2.933  10.436   5.525
  185    HA   HIS  26           HA       HIS  26   1.059   8.650   6.698
  186   1HB   HIS  26          1HB       HIS  26   3.569  10.036   7.527
  187   2HB   HIS  26          2HB       HIS  26   2.494   9.492   8.800
  188    HD1  HIS  26           HD1      HIS  26   4.545   8.146   5.896
  189    HD2  HIS  26           HD2      HIS  26   2.505   6.751   9.285
  190    HE1  HIS  26           HE1      HIS  26   5.171   5.685   6.144
  191    H    SER  27           H        SER  27   0.998  11.970   5.998
  192    HA   SER  27           HA       SER  27  -0.507  12.625   8.370
  193   1HB   SER  27          1HB       SER  27  -0.571  14.938   7.237
  194   2HB   SER  27          2HB       SER  27   0.997  14.357   7.760
  195    HG   SER  27           HG       SER  27   1.309  15.098   5.671
  196    H    THR  28           H        THR  28  -1.320  10.759   5.975
  197    HA   THR  28           HA       THR  28  -3.838  12.154   5.339
  198    HB   THR  28           HB       THR  28  -2.241  10.058   3.774
  199    HG1  THR  28           HG1      THR  28  -1.668  12.500   4.010
  200   1HG2  THR  28          1HG2      THR  28  -5.033  10.942   3.581
  201   2HG2  THR  28          2HG2      THR  28  -4.115  11.421   2.134
  202   3HG2  THR  28          3HG2      THR  28  -4.185   9.710   2.617
  203    H    HIS  29           H        HIS  29  -2.279   9.121   6.427
  204    HA   HIS  29           HA       HIS  29  -4.951   8.066   6.946
  205   1HB   HIS  29          1HB       HIS  29  -2.278   6.638   6.985
  206   2HB   HIS  29          2HB       HIS  29  -3.854   5.896   7.174
  207    HD1  HIS  29           HD1      HIS  29  -1.665   7.569   4.567
  208    HD2  HIS  29           HD2      HIS  29  -5.233   5.376   4.799
  209    HE1  HIS  29           HE1      HIS  29  -2.300   6.982   2.166
  210    H    LYS  30           H        LYS  30  -3.498  10.257   8.478
  211    HA   LYS  30           HA       LYS  30  -2.469   9.269  10.851
  212   1HB   LYS  30          2HB       LYS  30  -2.777  11.486  11.707
  213   2HB   LYS  30          1HB       LYS  30  -2.294  11.606  10.027
  214   1HG   LYS  30          2HG       LYS  30  -4.086  13.122  10.110
  215   2HG   LYS  30          1HG       LYS  30  -4.878  11.674   9.521
  216   1HD   LYS  30          1HD       LYS  30  -6.288  11.763  11.292
  217   2HD   LYS  30          2HD       LYS  30  -4.932  11.453  12.357
  218   1HE   LYS  30          1HE       LYS  30  -5.245  14.275  11.369
  219   2HE   LYS  30          2HE       LYS  30  -6.444  13.709  12.515
  220   1HZ   LYS  30          1HZ       LYS  30  -4.453  12.930  13.843
  221   2HZ   LYS  30          2HZ       LYS  30  -3.553  13.898  12.885
  222   3HZ   LYS  30          3HZ       LYS  30  -4.742  14.536  13.804
  223    H    ASP  31           H        ASP  31  -5.702   9.179   9.580
  224    HA   ASP  31           HA       ASP  31  -6.893   9.001  12.175
  225   1HB   ASP  31          1HB       ASP  31  -8.302  10.002  10.545
  226   2HB   ASP  31          2HB       ASP  31  -7.866   8.835   9.312
  227    H    VAL  32           H        VAL  32  -4.964   6.994  10.355
  228    HA   VAL  32           HA       VAL  32  -6.454   4.579  11.124
  229    HB   VAL  32           HB       VAL  32  -4.369   4.915   8.959
  230   1HG1  VAL  32          1HG1      VAL  32  -4.499   2.647   9.931
  231   2HG1  VAL  32          2HG1      VAL  32  -6.240   2.600   9.564
  232   3HG1  VAL  32          3HG1      VAL  32  -5.054   2.684   8.240
  233   1HG2  VAL  32          1HG2      VAL  32  -7.028   5.801   8.917
  234   2HG2  VAL  32          2HG2      VAL  32  -5.951   5.563   7.520
  235   3HG2  VAL  32          3HG2      VAL  32  -7.044   4.256   8.035
  236    H    LYS  33           H        LYS  33  -5.529   3.226  12.603
  237    HA   LYS  33           HA       LYS  33  -3.436   4.070  14.166
  238   1HB   LYS  33          1HB       LYS  33  -4.401   1.232  13.698
  239   2HB   LYS  33          2HB       LYS  33  -3.430   1.771  15.053
  240   1HG   LYS  33          1HG       LYS  33  -5.372   3.547  15.397
  241   2HG   LYS  33          2HG       LYS  33  -6.313   2.449  14.407
  242   1HD   LYS  33          1HD       LYS  33  -5.561   0.570  16.022
  243   2HD   LYS  33          2HD       LYS  33  -4.962   1.840  17.070
  244   1HE   LYS  33          1HE       LYS  33  -7.812   1.969  16.038
  245   2HE   LYS  33          2HE       LYS  33  -7.427   0.923  17.391
  246   1HZ   LYS  33          1HZ       LYS  33  -6.472   2.855  18.500
  247   2HZ   LYS  33          2HZ       LYS  33  -6.920   3.814  17.256
  248   3HZ   LYS  33          3HZ       LYS  33  -8.056   3.072  18.164
  249    H    CYS  34           H        CYS  34  -1.244   3.099  14.455
  250    HA   CYS  34           HA       CYS  34   0.098   3.138  11.957
  251   1HB   CYS  34          1HB       CYS  34   1.297   2.368  14.614
  252   2HB   CYS  34          2HB       CYS  34   2.111   3.024  13.208
  253    H    ASP  35           H        ASP  35  -0.799   0.688  14.450
  254    HA   ASP  35           HA       ASP  35   0.626  -1.401  13.292
  255   1HB   ASP  35          1HB       ASP  35  -0.947  -2.848  14.656
  256   2HB   ASP  35          2HB       ASP  35  -0.139  -1.594  15.576
  257    H    ASP  36           H        ASP  36  -2.071   0.379  12.201
  258    HA   ASP  36           HA       ASP  36  -3.711  -1.617  11.200
  259   1HB   ASP  36          1HB       ASP  36  -4.007   1.006  11.413
  260   2HB   ASP  36          2HB       ASP  36  -3.301   1.049   9.810
  261    H    CYS  37           H        CYS  37  -0.554  -0.457  10.294
  262    HA   CYS  37           HA       CYS  37  -0.759  -1.936   7.778
  263   1HB   CYS  37          1HB       CYS  37   0.616   0.736   8.194
  264   2HB   CYS  37          2HB       CYS  37   0.869  -0.285   6.792
  265    H    HIS  38           H        HIS  38   1.356  -0.479  10.343
  266    HA   HIS  38           HA       HIS  38   3.505  -2.246   9.710
  267   1HB   HIS  38          1HB       HIS  38   3.081  -0.376  12.058
  268   2HB   HIS  38          2HB       HIS  38   4.574  -1.218  11.693
  269    HD1  HIS  38           HD1      HIS  38   5.666  -0.579   9.240
  270    HD2  HIS  38           HD2      HIS  38   2.831   2.070  10.835
  271    HE1  HIS  38           HE1      HIS  38   5.967   1.627   7.992
  272    H    HIS  39           H        HIS  39   2.585  -4.362   9.876
  273    HA   HIS  39           HA       HIS  39   1.627  -5.082  12.529
  274   1HB   HIS  39          2HB       HIS  39   0.582  -6.928  11.548
  275   2HB   HIS  39          1HB       HIS  39   0.336  -5.622  10.407
  276    HD1  HIS  39           HD1      HIS  39   1.590  -9.045  10.637
  277    HD2  HIS  39           HD2      HIS  39   2.232  -5.753   8.118
  278    HE1  HIS  39           HE1      HIS  39   2.671  -9.967   8.518
  279    H    GLN  40           H        GLN  40   4.097  -4.574  13.033
  280    HA   GLN  40           HA       GLN  40   5.416  -7.165  12.870
  281   1HB   GLN  40          1HB       GLN  40   6.514  -4.442  12.182
  282   2HB   GLN  40          2HB       GLN  40   7.596  -5.616  12.904
  283   1HG   GLN  40          1HG       GLN  40   5.997  -5.936  10.327
  284   2HG   GLN  40          2HG       GLN  40   7.740  -5.840  10.482
  285   2HE2  GLN  40          2HE2      GLN  40   4.998  -7.830  10.462
  286   1HE2  GLN  40          1HE2      GLN  40   5.732  -9.347  10.861
  287    HA   PRO  41           HA       PRO  41   6.252  -6.770  17.168
  288   1HB   PRO  41          2HB       PRO  41   9.135  -7.385  16.843
  289   2HB   PRO  41          1HB       PRO  41   7.802  -8.397  17.488
  290   1HG   PRO  41          1HG       PRO  41   9.101  -8.671  15.345
  291   2HG   PRO  41          2HG       PRO  41   7.570  -9.550  15.026
  292   1HD   PRO  41          1HD       PRO  41   8.500  -6.926  14.012
  293   2HD   PRO  41          2HD       PRO  41   7.068  -7.876  13.510
  294    H    GLY  42           H        GLY  42   7.035  -5.288  18.793
  295   1HA   GLY  42          2HA       GLY  42   8.139  -3.486  19.609
  296   2HA   GLY  42          1HA       GLY  42   7.516  -2.720  18.161
  297    H    ASP  43           H        ASP  43  10.136  -5.155  18.856
  298    HA   ASP  43           HA       ASP  43  12.294  -3.690  18.596
  299   1HB   ASP  43          1HB       ASP  43  11.577  -6.464  17.984
  300   2HB   ASP  43          2HB       ASP  43  12.860  -5.919  16.922
  301    H    LYS  44           H        LYS  44  10.149  -4.817  15.927
  302    HA   LYS  44           HA       LYS  44  11.577  -2.984  14.133
  303   1HB   LYS  44          1HB       LYS  44  10.718  -5.832  13.643
  304   2HB   LYS  44          2HB       LYS  44  10.864  -4.699  12.315
  305   1HG   LYS  44          1HG       LYS  44  13.120  -5.053  14.324
  306   2HG   LYS  44          2HG       LYS  44  12.956  -6.132  12.953
  307   1HD   LYS  44          1HD       LYS  44  12.672  -3.567  11.821
  308   2HD   LYS  44          2HD       LYS  44  13.920  -3.350  13.032
  309   1HE   LYS  44          1HE       LYS  44  13.958  -5.582  10.945
  310   2HE   LYS  44          2HE       LYS  44  14.785  -4.049  10.744
  311   1HZ   LYS  44          1HZ       LYS  44  15.250  -5.729  13.095
  312   2HZ   LYS  44          2HZ       LYS  44  16.091  -5.942  11.711
  313   3HZ   LYS  44          3HZ       LYS  44  16.186  -4.524  12.514
  314    H    GLN  45           H        GLN  45   9.372  -2.327  15.847
  315    HA   GLN  45           HA       GLN  45   6.896  -2.650  15.009
  316   1HB   GLN  45          1HB       GLN  45   7.635  -1.155  16.873
  317   2HB   GLN  45          2HB       GLN  45   8.128   0.054  15.704
  318   1HG   GLN  45          1HG       GLN  45   6.012   0.857  15.625
  319   2HG   GLN  45          2HG       GLN  45   5.436  -0.691  15.039
  320   2HE2  GLN  45          2HE2      GLN  45   3.719   0.639  16.483
  321   1HE2  GLN  45          1HE2      GLN  45   3.532   0.016  18.088
  322    H    TYR  46           H        TYR  46   9.202  -0.300  13.604
  323    HA   TYR  46           HA       TYR  46   7.474  -0.170  11.176
  324   1HB   TYR  46          1HB       TYR  46   9.444   1.937  12.087
  325   2HB   TYR  46          2HB       TYR  46   8.165   2.082  10.870
  326    HD1  TYR  46           HD1      TYR  46   5.744   2.020  11.624
  327    HD2  TYR  46           HD2      TYR  46   9.028   2.414  14.365
  328    HE1  TYR  46           HE1      TYR  46   4.194   2.884  13.356
  329    HE2  TYR  46           HE2      TYR  46   7.478   3.277  16.098
  330    HH   TYR  46           HH       TYR  46   5.332   4.095  16.489
  331    H    ALA  47           H        ALA  47   8.495  -1.900  10.012
  332    HA   ALA  47           HA       ALA  47  11.309  -1.329   9.379
  333   1HB   ALA  47          1HB       ALA  47  10.222  -3.601  10.661
  334   2HB   ALA  47          3HB       ALA  47  10.557  -4.107   8.988
  335   3HB   ALA  47          2HB       ALA  47  11.860  -3.421   9.988
  336    H    GLY  48           H        GLY  48  11.772  -2.843   7.221
  337   1HA   GLY  48          2HA       GLY  48  11.531  -2.664   4.973
  338   2HA   GLY  48          1HA       GLY  48  10.164  -1.591   5.199
  339    H    CYS  49           H        CYS  49   8.628  -2.517   3.845
  340    HA   CYS  49           HA       CYS  49   7.385  -4.879   4.806
  341   1HB   CYS  49          2HB       CYS  49   6.796  -3.523   2.180
  342   2HB   CYS  49          1HB       CYS  49   5.725  -4.496   3.169
  343    H    THR  50           H        THR  50   9.708  -3.965   2.263
  344    HA   THR  50           HA       THR  50   9.536  -6.603   1.037
  345    HB   THR  50           HB       THR  50  11.216  -5.491  -0.548
  346    HG1  THR  50           HG1      THR  50  11.826  -3.983   1.310
  347   1HG2  THR  50          1HG2      THR  50   8.421  -4.939  -0.265
  348   2HG2  THR  50          2HG2      THR  50   9.216  -3.370  -0.537
  349   3HG2  THR  50          3HG2      THR  50   9.423  -4.689  -1.714
  350    H    THR  51           H        THR  51  10.503  -6.095   3.888
  351    HA   THR  51           HA       THR  51  13.315  -6.560   3.813
  352    HB   THR  51           HB       THR  51  11.243  -6.967   6.034
  353    HG1  THR  51           HG1      THR  51  11.686  -4.813   4.697
  354   1HG2  THR  51          1HG2      THR  51  14.269  -6.777   5.927
  355   2HG2  THR  51          2HG2      THR  51  13.406  -6.083   7.320
  356   3HG2  THR  51          3HG2      THR  51  13.251  -7.817   6.951
  357    H    ASP  52           H        ASP  52  14.436  -8.493   4.537
  358    HA   ASP  52           HA       ASP  52  13.725 -10.675   3.084
  359   1HB   ASP  52          1HB       ASP  52  15.960 -10.621   3.823
  360   2HB   ASP  52          2HB       ASP  52  15.516 -10.208   5.467
  361    H    GLY  53           H        GLY  53  12.896 -12.836   3.783
  362   1HA   GLY  53          2HA       GLY  53  11.961 -13.460   6.320
  363   2HA   GLY  53          1HA       GLY  53  11.414 -14.171   4.815
  364    H    CYS  54           H        CYS  54  10.577 -11.398   3.781
  365    HA   CYS  54           HA       CYS  54   8.025 -11.393   5.186
  366   1HB   CYS  54          1HB       CYS  54   9.455  -8.814   4.486
  367   2HB   CYS  54          2HB       CYS  54   7.947  -8.997   5.359
  368    H    HIS  55           H        HIS  55   7.871  -8.733   3.316
  369    HA   HIS  55           HA       HIS  55   6.897 -10.259   1.049
  370   1HB   HIS  55          1HB       HIS  55   6.588  -7.293   1.536
  371   2HB   HIS  55          2HB       HIS  55   5.648  -8.314   0.466
  372    HD1  HIS  55           HD1      HIS  55   4.072 -10.164   1.718
  373    HD2  HIS  55           HD2      HIS  55   5.575  -7.046   4.088
  374    HE1  HIS  55           HE1      HIS  55   2.644 -10.121   3.832
  375    H    ASN  56           H        ASN  56   9.598 -10.485   1.094
  376    HA   ASN  56           HA       ASN  56  10.698  -8.319  -0.437
  377   1HB   ASN  56          1HB       ASN  56  12.014  -9.510   1.375
  378   2HB   ASN  56          2HB       ASN  56  11.952 -10.980   0.423
  379   2HD2  ASN  56          2HD2      ASN  56  14.295  -9.678   1.262
  380   1HD2  ASN  56          1HD2      ASN  56  15.179  -9.130  -0.124
  381    H    ILE  57           H        ILE  57   8.946  -8.945  -2.187
  382    HA   ILE  57           HA       ILE  57  10.182 -10.894  -3.988
  383    HB   ILE  57           HB       ILE  57   7.225 -10.684  -3.406
  384   1HG1  ILE  57          1HG1      ILE  57   8.846 -11.819  -1.695
  385   2HG1  ILE  57          2HG1      ILE  57   7.340 -12.596  -2.141
  386   1HG2  ILE  57          1HG2      ILE  57   8.782 -12.422  -5.337
  387   2HG2  ILE  57          2HG2      ILE  57   7.079 -12.683  -4.890
  388   3HG2  ILE  57          3HG2      ILE  57   7.560 -11.188  -5.727
  389   1HD1  ILE  57          1HD1      ILE  57  10.018 -13.178  -3.486
  390   2HD1  ILE  57          2HD1      ILE  57   9.314 -14.158  -2.177
  391   3HD1  ILE  57          3HD1      ILE  57   8.486 -14.046  -3.749
  392    H    LEU  58           H        LEU  58  10.954  -9.660  -5.620
  393    HA   LEU  58           HA       LEU  58   9.347  -7.348  -6.416
  394   1HB   LEU  58          2HB       LEU  58  12.222  -8.039  -7.036
  395   2HB   LEU  58          1HB       LEU  58  11.385  -6.580  -7.528
  396    HG   LEU  58           HG       LEU  58  12.105  -7.413  -4.708
  397   1HD1  LEU  58          1HD1      LEU  58  13.090  -5.254  -6.574
  398   2HD1  LEU  58          2HD1      LEU  58  13.344  -5.187  -4.814
  399   3HD1  LEU  58          3HD1      LEU  58  14.017  -6.536  -5.760
  400   1HD2  LEU  58          1HD2      LEU  58  10.013  -5.603  -5.650
  401   2HD2  LEU  58          2HD2      LEU  58  10.310  -6.277  -4.029
  402   3HD2  LEU  58          3HD2      LEU  58  11.177  -4.815  -4.558
  403    H    ASP  59           H        ASP  59   8.675 -10.209  -7.010
  404    HA   ASP  59           HA       ASP  59   8.984 -10.050  -9.906
  405   1HB   ASP  59          1HB       ASP  59   9.484 -12.188  -8.059
  406   2HB   ASP  59          2HB       ASP  59   8.064 -12.648  -8.976
  407    H    LYS  60           H        LYS  60   7.023  -8.597  -9.858
  408    HA   LYS  60           HA       LYS  60   4.629  -9.206  -8.676
  409   1HB   LYS  60          2HB       LYS  60   3.646  -7.646 -10.213
  410   2HB   LYS  60          1HB       LYS  60   5.237  -7.062  -9.768
  411   1HG   LYS  60          1HG       LYS  60   5.318  -8.825 -12.135
  412   2HG   LYS  60          2HG       LYS  60   4.283  -7.432 -12.382
  413   1HD   LYS  60          1HD       LYS  60   6.062  -6.023 -12.526
  414   2HD   LYS  60          2HD       LYS  60   6.752  -6.630 -11.033
  415   1HE   LYS  60          1HE       LYS  60   7.633  -8.636 -12.324
  416   2HE   LYS  60          2HE       LYS  60   7.051  -7.892 -13.800
  417   1HZ   LYS  60          1HZ       LYS  60   8.420  -5.903 -12.955
  418   2HZ   LYS  60          2HZ       LYS  60   9.204  -7.016 -12.053
  419   3HZ   LYS  60          3HZ       LYS  60   9.185  -7.150 -13.680
  420    H    ALA  61           H        ALA  61   2.779 -10.394  -9.236
  421    HA   ALA  61           HA       ALA  61   1.531 -11.880 -10.338
  422   1HB   ALA  61          1HB       ALA  61   3.563 -12.287 -12.517
  423   2HB   ALA  61          3HB       ALA  61   1.787 -12.239 -12.614
  424   3HB   ALA  61          2HB       ALA  61   2.708 -10.729 -12.423
  425    H    ASP  62           H        ASP  62   3.210 -12.538  -8.198
  426    HA   ASP  62           HA       ASP  62   4.364 -15.069  -9.044
  427   1HB   ASP  62          1HB       ASP  62   5.717 -13.314  -7.709
  428   2HB   ASP  62          2HB       ASP  62   4.679 -13.682  -6.346
  429    H    LYS  63           H        LYS  63   4.215 -16.710  -6.930
  430    HA   LYS  63           HA       LYS  63   1.439 -16.570  -5.980
  431   1HB   LYS  63          1HB       LYS  63   1.866 -18.249  -7.838
  432   2HB   LYS  63          2HB       LYS  63   2.897 -19.118  -6.720
  433   1HG   LYS  63          1HG       LYS  63   1.115 -19.736  -5.325
  434   2HG   LYS  63          2HG       LYS  63   0.138 -18.353  -5.774
  435   1HD   LYS  63          1HD       LYS  63  -0.705 -19.378  -7.677
  436   2HD   LYS  63          2HD       LYS  63   0.772 -20.266  -7.990
  437   1HE   LYS  63          1HE       LYS  63  -0.479 -22.052  -7.247
  438   2HE   LYS  63          2HE       LYS  63   0.044 -21.489  -5.672
  439   1HZ   LYS  63          1HZ       LYS  63  -2.162 -19.998  -6.336
  440   2HZ   LYS  63          2HZ       LYS  63  -2.542 -21.537  -6.729
  441   3HZ   LYS  63          3HZ       LYS  63  -2.069 -21.176  -5.209
  442    H    SER  64           H        SER  64   2.145 -15.535  -4.034
  443    HA   SER  64           HA       SER  64   2.777 -17.336  -2.027
  444   1HB   SER  64          1HB       SER  64   5.081 -16.585  -3.394
  445   2HB   SER  64          2HB       SER  64   5.054 -15.441  -2.067
  446    HG   SER  64           HG       SER  64   4.799 -18.311  -1.755
  447    H    VAL  65           H        VAL  65   2.812 -16.238   0.128
  448    HA   VAL  65           HA       VAL  65   1.237 -13.835   0.020
  449    HB   VAL  65           HB       VAL  65   0.607 -15.560   1.544
  450   1HG1  VAL  65          1HG1      VAL  65   3.481 -15.425   2.449
  451   2HG1  VAL  65          2HG1      VAL  65   2.210 -16.046   3.529
  452   3HG1  VAL  65          3HG1      VAL  65   2.515 -16.840   1.965
  453   1HG2  VAL  65          1HG2      VAL  65   0.936 -12.920   2.260
  454   2HG2  VAL  65          2HG2      VAL  65   0.023 -14.137   3.184
  455   3HG2  VAL  65          3HG2      VAL  65   1.715 -13.782   3.609
  456    H    ASN  66           H        ASN  66   4.431 -14.332  -0.475
  457    HA   ASN  66           HA       ASN  66   5.311 -12.218   1.287
  458   1HB   ASN  66          2HB       ASN  66   6.910 -13.889  -0.723
  459   2HB   ASN  66          1HB       ASN  66   7.591 -12.826   0.493
  460   2HD2  ASN  66          2HD2      ASN  66   6.698 -13.256   2.776
  461   1HD2  ASN  66          1HD2      ASN  66   6.681 -14.907   3.299
  462    H    SER  67           H        SER  67   3.599 -12.262  -1.451
  463    HA   SER  67           HA       SER  67   5.248 -10.798  -3.221
  464   1HB   SER  67          1HB       SER  67   2.817 -10.351  -4.248
  465   2HB   SER  67          2HB       SER  67   3.612 -11.904  -4.417
  466    HG   SER  67           HG       SER  67   1.321 -11.932  -3.632
  467    H    TRP  68           H        TRP  68   5.417  -8.557  -3.486
  468    HA   TRP  68           HA       TRP  68   4.109  -6.970  -1.416
  469   1HB   TRP  68          1HB       TRP  68   6.388  -6.577  -1.370
  470   2HB   TRP  68          2HB       TRP  68   6.554  -6.641  -3.113
  471    HD1  TRP  68           HD1      TRP  68   6.751  -4.297  -4.256
  472    HE1  TRP  68           HE1      TRP  68   6.255  -1.771  -3.677
  473    HE3  TRP  68           HE3      TRP  68   4.530  -5.213   0.226
  474    HZ2  TRP  68           HZ2      TRP  68   5.018  -0.468  -1.460
  475    HZ3  TRP  68           HZ3      TRP  68   3.706  -3.258   1.534
  476    HH2  TRP  68           HH2      TRP  68   3.921  -0.950   0.759
  477    H    TYR  69           H        TYR  69   3.063  -8.187  -4.076
  478    HA   TYR  69           HA       TYR  69   1.979  -5.641  -5.190
  479   1HB   TYR  69          1HB       TYR  69   3.430  -6.724  -6.798
  480   2HB   TYR  69          2HB       TYR  69   2.619  -8.279  -6.547
  481    HD1  TYR  69           HD1      TYR  69   0.139  -8.458  -7.179
  482    HD2  TYR  69           HD2      TYR  69   2.667  -5.220  -8.434
  483    HE1  TYR  69           HE1      TYR  69  -1.451  -7.924  -9.005
  484    HE2  TYR  69           HE2      TYR  69   1.077  -4.686 -10.260
  485    HH   TYR  69           HH       TYR  69  -1.969  -5.558 -10.442
  486    H    LYS  70           H        LYS  70   1.283  -8.454  -3.365
  487    HA   LYS  70           HA       LYS  70  -1.467  -8.513  -4.364
  488   1HB   LYS  70          1HB       LYS  70  -0.088 -10.635  -4.202
  489   2HB   LYS  70          2HB       LYS  70  -0.130 -10.452  -2.460
  490   1HG   LYS  70          1HG       LYS  70  -2.760 -10.199  -2.853
  491   2HG   LYS  70          2HG       LYS  70  -2.413 -11.019  -4.362
  492   1HD   LYS  70          1HD       LYS  70  -1.416 -12.109  -1.700
  493   2HD   LYS  70          2HD       LYS  70  -3.020 -12.486  -2.297
  494   1HE   LYS  70          1HE       LYS  70  -0.393 -13.058  -3.753
  495   2HE   LYS  70          2HE       LYS  70  -1.398 -14.248  -2.949
  496   1HZ   LYS  70          1HZ       LYS  70  -3.033 -12.872  -4.677
  497   2HZ   LYS  70          2HZ       LYS  70  -1.674 -13.199  -5.521
  498   3HZ   LYS  70          3HZ       LYS  70  -2.513 -14.413  -4.822
  499    H    VAL  71           H        VAL  71   0.551  -8.059  -1.410
  500    HA   VAL  71           HA       VAL  71  -1.627  -7.636   0.313
  501    HB   VAL  71           HB       VAL  71   0.109  -6.638   1.782
  502   1HG1  VAL  71          1HG1      VAL  71  -0.031  -9.321   0.742
  503   2HG1  VAL  71          2HG1      VAL  71   1.652  -8.932   1.174
  504   3HG1  VAL  71          3HG1      VAL  71   0.361  -8.769   2.388
  505   1HG2  VAL  71          1HG2      VAL  71   1.438  -5.651  -0.145
  506   2HG2  VAL  71          2HG2      VAL  71   2.388  -6.456   1.127
  507   3HG2  VAL  71          3HG2      VAL  71   2.086  -7.286  -0.419
  508    H    VAL  72           H        VAL  72  -0.529  -5.849  -2.355
  509    HA   VAL  72           HA       VAL  72  -1.410  -3.316  -1.183
  510    HB   VAL  72           HB       VAL  72   0.162  -4.039  -3.656
  511   1HG1  VAL  72          1HG1      VAL  72  -1.472  -2.174  -4.088
  512   2HG1  VAL  72          2HG1      VAL  72  -0.654  -1.242  -2.811
  513   3HG1  VAL  72          3HG1      VAL  72   0.240  -1.722  -4.274
  514   1HG2  VAL  72          1HG2      VAL  72   0.823  -3.194  -0.942
  515   2HG2  VAL  72          2HG2      VAL  72   1.868  -3.863  -2.218
  516   3HG2  VAL  72          3HG2      VAL  72   1.526  -2.117  -2.172
  517    H    HIS  73           H        HIS  73  -1.806  -5.302  -4.206
  518    HA   HIS  73           HA       HIS  73  -4.327  -3.947  -4.654
  519   1HB   HIS  73          1HB       HIS  73  -2.920  -6.004  -6.375
  520   2HB   HIS  73          2HB       HIS  73  -4.281  -5.002  -6.838
  521    HD1  HIS  73           HD1      HIS  73  -0.560  -4.838  -6.189
  522    HD2  HIS  73           HD2      HIS  73  -3.648  -2.367  -7.590
  523    HE1  HIS  73           HE1      HIS  73   0.569  -2.775  -7.180
  524    H    ASP  74           H        ASP  74  -3.839  -5.864  -2.362
  525    HA   ASP  74           HA       ASP  74  -5.113  -8.267  -3.033
  526   1HB   ASP  74          1HB       ASP  74  -3.916  -7.018  -0.711
  527   2HB   ASP  74          2HB       ASP  74  -5.485  -7.643  -0.244
  528    H    ALA  75           H        ALA  75  -7.332  -8.626  -3.266
  529    HA   ALA  75           HA       ALA  75  -9.117  -6.543  -2.205
  530   1HB   ALA  75          1HB       ALA  75  -8.787  -7.650  -4.838
  531   2HB   ALA  75          3HB       ALA  75 -10.391  -8.118  -4.222
  532   3HB   ALA  75          2HB       ALA  75  -9.931  -6.400  -4.292
  533    H    LYS  76           H        LYS  76  -7.872  -9.365  -1.284
  534    HA   LYS  76           HA       LYS  76 -10.357 -10.171  -0.022
  535   1HB   LYS  76          1HB       LYS  76  -9.986 -11.472  -2.227
  536   2HB   LYS  76          2HB       LYS  76  -8.676 -12.275  -1.384
  537   1HG   LYS  76          1HG       LYS  76 -10.450 -12.691   0.516
  538   2HG   LYS  76          2HG       LYS  76 -11.638 -12.302  -0.711
  539   1HD   LYS  76          1HD       LYS  76 -11.449 -14.371  -1.618
  540   2HD   LYS  76          2HD       LYS  76  -9.727 -14.147  -1.860
  541   1HE   LYS  76          1HE       LYS  76  -9.416 -14.743   0.627
  542   2HE   LYS  76          2HE       LYS  76 -11.107 -15.201   0.650
  543   1HZ   LYS  76          1HZ       LYS  76  -9.608 -16.318  -1.517
  544   2HZ   LYS  76          2HZ       LYS  76  -9.127 -16.824  -0.041
  545   3HZ   LYS  76          3HZ       LYS  76 -10.677 -17.034  -0.512
  546    H    GLY  77           H        GLY  77  -9.344  -9.176   1.831
  547   1HA   GLY  77          2HA       GLY  77  -7.264  -9.056   3.141
  548   2HA   GLY  77          1HA       GLY  77  -7.095 -10.782   2.894
  549    H    GLY  78           H        GLY  78  -7.143 -11.239   5.168
  550   1HA   GLY  78          2HA       GLY  78  -8.843 -12.318   6.567
  551   2HA   GLY  78          1HA       GLY  78  -9.813 -10.869   6.393
  552    H    ALA  79           H        ALA  79  -6.547 -11.981   7.512
  553    HA   ALA  79           HA       ALA  79  -6.636 -11.080  10.032
  554   1HB   ALA  79          1HB       ALA  79  -4.295 -11.282  10.037
  555   2HB   ALA  79          3HB       ALA  79  -4.142 -10.670   8.372
  556   3HB   ALA  79          2HB       ALA  79  -4.781 -12.305   8.664
  557    H    LYS  80           H        LYS  80  -5.897  -9.127   7.091
  558    HA   LYS  80           HA       LYS  80  -6.782  -6.775   8.462
  559   1HB   LYS  80          1HB       LYS  80  -4.478  -5.657   7.741
  560   2HB   LYS  80          2HB       LYS  80  -4.724  -6.359   9.327
  561   1HG   LYS  80          1HG       LYS  80  -3.754  -8.531   8.485
  562   2HG   LYS  80          2HG       LYS  80  -3.449  -7.771   6.936
  563   1HD   LYS  80          2HD       LYS  80  -2.231  -6.996   9.624
  564   2HD   LYS  80          1HD       LYS  80  -1.394  -7.701   8.256
  565   1HE   LYS  80          1HE       LYS  80  -2.084  -5.622   6.903
  566   2HE   LYS  80          2HE       LYS  80  -2.637  -4.919   8.410
  567   1HZ   LYS  80          1HZ       LYS  80  -0.004  -6.015   8.545
  568   2HZ   LYS  80          2HZ       LYS  80  -0.141  -4.773   7.494
  569   3HZ   LYS  80          3HZ       LYS  80  -0.557  -4.567   9.059
  570    HA   PRO  81           HA       PRO  81  -7.774  -5.703   4.333
  571   1HB   PRO  81          1HB       PRO  81  -7.959  -2.980   4.514
  572   2HB   PRO  81          2HB       PRO  81  -9.072  -4.076   5.396
  573   1HG   PRO  81          1HG       PRO  81  -6.792  -2.672   6.256
  574   2HG   PRO  81          2HG       PRO  81  -8.265  -2.852   7.265
  575   1HD   PRO  81          1HD       PRO  81  -5.943  -4.314   7.667
  576   2HD   PRO  81          2HD       PRO  81  -7.569  -4.971   8.025
  577    H    THR  82           H        THR  82  -7.049  -3.627   2.676
  578    HA   THR  82           HA       THR  82  -4.133  -3.441   2.814
  579    HB   THR  82           HB       THR  82  -4.100  -4.137   0.351
  580    HG1  THR  82           HG1      THR  82  -6.222  -5.468  -0.003
  581   1HG2  THR  82          1HG2      THR  82  -4.320  -5.827   2.657
  582   2HG2  THR  82          2HG2      THR  82  -5.361  -6.541   1.401
  583   3HG2  THR  82          3HG2      THR  82  -3.635  -6.254   1.070
  584    H    CYS  83           H        CYS  83  -3.767  -2.236   0.289
  585    HA   CYS  83           HA       CYS  83  -4.702   0.369   0.959
  586   1HB   CYS  83          1HB       CYS  83  -3.300  -0.361  -1.600
  587   2HB   CYS  83          2HB       CYS  83  -3.288   1.164  -0.737
  588    H    ILE  84           H        ILE  84  -6.092  -2.312  -0.540
  589    HA   ILE  84           HA       ILE  84  -7.697  -0.626  -2.330
  590    HB   ILE  84           HB       ILE  84  -6.773  -3.465  -2.466
  591   1HG1  ILE  84          1HG1      ILE  84  -5.550  -1.644  -3.630
  592   2HG1  ILE  84          2HG1      ILE  84  -6.162  -2.881  -4.709
  593   1HG2  ILE  84          1HG2      ILE  84  -9.447  -2.476  -3.244
  594   2HG2  ILE  84          2HG2      ILE  84  -8.572  -3.396  -4.493
  595   3HG2  ILE  84          3HG2      ILE  84  -8.879  -4.128  -2.899
  596   1HD1  ILE  84          1HD1      ILE  84  -8.224  -1.375  -5.067
  597   2HD1  ILE  84          2HD1      ILE  84  -7.301  -0.099  -4.237
  598   3HD1  ILE  84          3HD1      ILE  84  -6.690  -0.792  -5.759
  599    H    SER  85           H        SER  85  -7.753  -3.232   0.164
  600    HA   SER  85           HA       SER  85 -10.447  -3.597   0.268
  601   1HB   SER  85          1HB       SER  85  -8.322  -4.600   1.624
  602   2HB   SER  85          2HB       SER  85  -8.953  -3.542   2.870
  603    HG   SER  85           HG       SER  85 -10.811  -5.216   1.496
  604    H    CYS  86           H        CYS  86  -8.461  -1.407   2.404
  605    HA   CYS  86           HA       CYS  86 -10.641  -0.211   3.626
  606   1HB   CYS  86          1HB       CYS  86  -8.134  -0.159   4.268
  607   2HB   CYS  86          2HB       CYS  86  -8.010   1.204   3.172
  608    H    HIS  87           H        HIS  87  -8.504   0.991   0.926
  609    HA   HIS  87           HA       HIS  87  -9.819   3.285   0.350
  610   1HB   HIS  87          1HB       HIS  87  -8.271   1.323  -1.312
  611   2HB   HIS  87          2HB       HIS  87  -9.059   2.674  -2.101
  612    HD1  HIS  87           HD1      HIS  87  -6.891   3.913  -2.710
  613    HD2  HIS  87           HD2      HIS  87  -7.287   3.151   1.395
  614    HE1  HIS  87           HE1      HIS  87  -5.060   5.261  -1.553
  615    H    LYS  88           H        LYS  88 -10.715  -0.074  -0.526
  616    HA   LYS  88           HA       LYS  88 -12.725   0.586  -2.350
  617   1HB   LYS  88          1HB       LYS  88 -11.930  -1.808  -0.764
  618   2HB   LYS  88          2HB       LYS  88 -13.563  -1.785  -1.397
  619   1HG   LYS  88          1HG       LYS  88 -11.163  -1.134  -3.155
  620   2HG   LYS  88          2HG       LYS  88 -11.704  -2.783  -2.915
  621   1HD   LYS  88          1HD       LYS  88 -13.968  -1.036  -3.557
  622   2HD   LYS  88          2HD       LYS  88 -12.723  -0.908  -4.783
  623   1HE   LYS  88          1HE       LYS  88 -13.408  -3.680  -3.840
  624   2HE   LYS  88          2HE       LYS  88 -14.612  -2.859  -4.813
  625   1HZ   LYS  88          1HZ       LYS  88 -12.446  -2.349  -6.211
  626   2HZ   LYS  88          2HZ       LYS  88 -11.991  -3.776  -5.561
  627   3HZ   LYS  88          3HZ       LYS  88 -13.357  -3.683  -6.451
  628    H    ASP  89           H        ASP  89 -12.789   0.030   1.225
  629    HA   ASP  89           HA       ASP  89 -15.480   0.223   1.562
  630   1HB   ASP  89          1HB       ASP  89 -13.420  -0.154   3.230
  631   2HB   ASP  89          2HB       ASP  89 -13.608   1.563   3.526
  632    H    LYS  90           H        LYS  90 -12.935   2.766   1.280
  633    HA   LYS  90           HA       LYS  90 -14.552   4.943   1.984
  634   1HB   LYS  90          1HB       LYS  90 -11.891   4.499   0.765
  635   2HB   LYS  90          2HB       LYS  90 -12.653   6.021   0.351
  636   1HG   LYS  90          1HG       LYS  90 -12.166   4.959   3.174
  637   2HG   LYS  90          2HG       LYS  90 -11.306   6.277   2.403
  638   1HD   LYS  90          1HD       LYS  90 -13.867   7.186   2.108
  639   2HD   LYS  90          2HD       LYS  90 -14.069   6.231   3.563
  640   1HE   LYS  90          1HE       LYS  90 -12.163   7.458   4.632
  641   2HE   LYS  90          2HE       LYS  90 -11.964   8.414   3.177
  642   1HZ   LYS  90          1HZ       LYS  90 -14.509   8.816   3.629
  643   2HZ   LYS  90          2HZ       LYS  90 -14.041   8.548   5.171
  644   3HZ   LYS  90          3HZ       LYS  90 -13.349   9.747   4.304
  645    H    ALA  91           H        ALA  91 -13.894   3.268  -1.131
  646    HA   ALA  91           HA       ALA  91 -15.676   5.130  -2.483
  647   1HB   ALA  91          1HB       ALA  91 -14.334   2.764  -3.780
  648   2HB   ALA  91          3HB       ALA  91 -14.704   4.368  -4.457
  649   3HB   ALA  91          2HB       ALA  91 -13.357   4.175  -3.309
  650    H    GLY  92           H        GLY  92 -16.492   3.084  -0.338
  651   1HA   GLY  92          2HA       GLY  92 -17.940   1.328  -0.091
  652   2HA   GLY  92          1HA       GLY  92 -18.035   1.134  -1.830
  653    H    ASP  93           H        ASP  93 -18.954   3.407  -2.908
  654    HA   ASP  93           HA       ASP  93 -21.589   3.399  -2.486
  655   1HB   ASP  93          1HB       ASP  93 -21.876   5.668  -1.245
  656   2HB   ASP  93          2HB       ASP  93 -21.544   4.245  -0.278
  657    H    ASP  94           H        ASP  94 -18.985   5.960  -2.520
  658    HA   ASP  94           HA       ASP  94 -20.294   7.366  -4.601
  659   1HB   ASP  94          1HB       ASP  94 -18.933   8.552  -2.931
  660   2HB   ASP  94          2HB       ASP  94 -17.519   7.605  -3.352
  661    H    LYS  95           H        LYS  95 -20.073   6.889  -6.794
  662    HA   LYS  95           HA       LYS  95 -18.319   4.817  -7.616
  663   1HB   LYS  95          1HB       LYS  95 -20.190   6.690  -9.077
  664   2HB   LYS  95          2HB       LYS  95 -19.197   5.516  -9.916
  665   1HG   LYS  95          1HG       LYS  95 -20.192   3.693  -8.479
  666   2HG   LYS  95          2HG       LYS  95 -21.231   4.886  -7.725
  667   1HD   LYS  95          1HD       LYS  95 -22.649   4.081  -9.400
  668   2HD   LYS  95          2HD       LYS  95 -21.940   5.462 -10.214
  669   1HE   LYS  95          1HE       LYS  95 -21.332   4.009 -11.859
  670   2HE   LYS  95          2HE       LYS  95 -20.090   3.443 -10.760
  671   1HZ   LYS  95          1HZ       LYS  95 -22.782   2.353 -10.544
  672   2HZ   LYS  95          2HZ       LYS  95 -21.785   1.800 -11.714
  673   3HZ   LYS  95          3HZ       LYS  95 -21.357   1.663 -10.144
  674    H    GLU  96           H        GLU  96 -18.299   8.400  -7.727
  675    HA   GLU  96           HA       GLU  96 -16.122   8.579  -9.460
  676   1HB   GLU  96          1HB       GLU  96 -17.122  10.545  -7.353
  677   2HB   GLU  96          2HB       GLU  96 -15.980  10.939  -8.623
  678   1HG   GLU  96          1HG       GLU  96 -17.597  10.724 -10.337
  679   2HG   GLU  96          2HG       GLU  96 -18.633   9.690  -9.374
  680    H    LEU  97           H        LEU  97 -16.438   7.908  -6.011
  681    HA   LEU  97           HA       LEU  97 -13.741   8.612  -5.379
  682   1HB   LEU  97          1HB       LEU  97 -15.852   8.544  -3.878
  683   2HB   LEU  97          2HB       LEU  97 -15.520   6.829  -3.744
  684    HG   LEU  97           HG       LEU  97 -14.567   7.853  -1.841
  685   1HD1  LEU  97          1HD1      LEU  97 -13.166   6.162  -3.166
  686   2HD1  LEU  97          2HD1      LEU  97 -12.164   7.556  -3.638
  687   3HD1  LEU  97          3HD1      LEU  97 -12.343   7.129  -1.919
  688   1HD2  LEU  97          1HD2      LEU  97 -13.719   9.969  -3.757
  689   2HD2  LEU  97          2HD2      LEU  97 -14.378  10.101  -2.109
  690   3HD2  LEU  97          3HD2      LEU  97 -12.671   9.657  -2.353
  691    H    LYS  98           H        LYS  98 -15.362   5.929  -6.887
  692    HA   LYS  98           HA       LYS  98 -13.279   4.055  -6.171
  693   1HB   LYS  98          1HB       LYS  98 -15.726   3.454  -6.345
  694   2HB   LYS  98          2HB       LYS  98 -15.605   3.686  -8.077
  695   1HG   LYS  98          1HG       LYS  98 -14.687   1.629  -8.337
  696   2HG   LYS  98          2HG       LYS  98 -13.388   2.028  -7.231
  697   1HD   LYS  98          2HD       LYS  98 -14.522   0.123  -6.285
  698   2HD   LYS  98          1HD       LYS  98 -14.968   1.501  -5.299
  699   1HE   LYS  98          1HE       LYS  98 -17.027   1.701  -6.952
  700   2HE   LYS  98          2HE       LYS  98 -16.642   0.042  -7.366
  701   1HZ   LYS  98          1HZ       LYS  98 -16.687   0.548  -4.557
  702   2HZ   LYS  98          2HZ       LYS  98 -18.130   0.782  -5.284
  703   3HZ   LYS  98          3HZ       LYS  98 -17.378  -0.662  -5.409
  704    H    LYS  99           H        LYS  99 -12.724   6.627  -7.687
  705    HA   LYS  99           HA       LYS  99 -11.235   5.328  -9.821
  706   1HB   LYS  99          1HB       LYS  99 -13.405   7.346 -10.216
  707   2HB   LYS  99          2HB       LYS  99 -11.966   7.492 -11.205
  708   1HG   LYS  99          1HG       LYS  99 -13.069   4.723 -10.954
  709   2HG   LYS  99          2HG       LYS  99 -14.085   5.859 -11.819
  710   1HD   LYS  99          1HD       LYS  99 -12.472   6.234 -13.508
  711   2HD   LYS  99          2HD       LYS  99 -11.137   5.726 -12.493
  712   1HE   LYS  99          1HE       LYS  99 -13.160   3.597 -12.939
  713   2HE   LYS  99          2HE       LYS  99 -12.384   4.143 -14.412
  714   1HZ   LYS  99          1HZ       LYS  99 -10.565   3.770 -12.252
  715   2HZ   LYS  99          2HZ       LYS  99 -11.339   2.396 -12.678
  716   3HZ   LYS  99          3HZ       LYS  99 -10.479   3.227 -13.790
  717    H    LYS 100           H        LYS 100 -10.179   5.994  -7.388
  718    HA   LYS 100           HA       LYS 100  -8.221   7.881  -8.138
  719   1HB   LYS 100          1HB       LYS 100  -8.845   9.364  -6.022
  720   2HB   LYS 100          2HB       LYS 100  -9.453   9.719  -7.626
  721   1HG   LYS 100          1HG       LYS 100 -11.490   8.236  -7.035
  722   2HG   LYS 100          2HG       LYS 100 -10.907   8.254  -5.383
  723   1HD   LYS 100          1HD       LYS 100 -11.314  10.849  -6.914
  724   2HD   LYS 100          2HD       LYS 100 -12.659  10.063  -6.112
  725   1HE   LYS 100          1HE       LYS 100 -11.355  10.099  -3.951
  726   2HE   LYS 100          2HE       LYS 100 -10.061  10.953  -4.768
  727   1HZ   LYS 100          1HZ       LYS 100 -11.948  12.557  -5.402
  728   2HZ   LYS 100          2HZ       LYS 100 -12.740  11.895  -4.136
  729   3HZ   LYS 100          3HZ       LYS 100 -11.304  12.637  -3.903
  730    H    LEU 101           H        LEU 101  -9.951   6.204  -5.446
  731    HA   LEU 101           HA       LEU 101  -7.406   5.810  -4.103
  732   1HB   LEU 101          2HB       LEU 101 -10.204   5.015  -3.286
  733   2HB   LEU 101          1HB       LEU 101  -8.763   4.907  -2.295
  734    HG   LEU 101           HG       LEU 101 -10.239   7.376  -3.199
  735   1HD1  LEU 101          1HD1      LEU 101 -10.722   5.977  -1.040
  736   2HD1  LEU 101          2HD1      LEU 101  -9.281   6.813  -0.414
  737   3HD1  LEU 101          3HD1      LEU 101 -10.684   7.755  -0.972
  738   1HD2  LEU 101          1HD2      LEU 101  -7.355   7.101  -2.562
  739   2HD2  LEU 101          2HD2      LEU 101  -8.210   8.301  -3.561
  740   3HD2  LEU 101          3HD2      LEU 101  -8.218   8.452  -1.788
  741    H    THR 102           H        THR 102  -9.796   4.121  -6.108
  742    HA   THR 102           HA       THR 102  -8.088   1.727  -5.932
  743    HB   THR 102           HB       THR 102 -10.101   0.374  -6.030
  744    HG1  THR 102           HG1      THR 102 -11.486   1.483  -7.410
  745   1HG2  THR 102          1HG2      THR 102  -9.746   2.229  -3.910
  746   2HG2  THR 102          2HG2      THR 102 -11.464   2.363  -4.357
  747   3HG2  THR 102          3HG2      THR 102 -10.787   0.785  -3.886
  748    H    GLY 103           H        GLY 103  -8.835   4.340  -7.791
  749   1HA   GLY 103          2HA       GLY 103  -8.607   4.792  -9.980
  750   2HA   GLY 103          1HA       GLY 103  -9.526   3.332 -10.288
  751    H    CYS 104           H        CYS 104  -8.509   1.871 -11.579
  752    HA   CYS 104           HA       CYS 104  -5.954   0.920 -11.025
  753   1HB   CYS 104          1HB       CYS 104  -7.975   0.557 -13.149
  754   2HB   CYS 104          2HB       CYS 104  -6.322   0.225 -13.629
  755    H    LYS 105           H        LYS 105  -7.235   3.215 -13.533
  756    HA   LYS 105           HA       LYS 105  -4.484   4.199 -13.834
  757   1HB   LYS 105          2HB       LYS 105  -4.903   4.579 -16.189
  758   2HB   LYS 105          1HB       LYS 105  -5.158   2.889 -15.801
  759   1HG   LYS 105          1HG       LYS 105  -7.385   2.977 -16.322
  760   2HG   LYS 105          2HG       LYS 105  -7.616   4.502 -15.490
  761   1HD   LYS 105          1HD       LYS 105  -6.287   4.242 -18.228
  762   2HD   LYS 105          2HD       LYS 105  -7.983   4.620 -17.998
  763   1HE   LYS 105          1HE       LYS 105  -5.627   6.283 -16.983
  764   2HE   LYS 105          2HE       LYS 105  -6.660   6.690 -18.339
  765   1HZ   LYS 105          1HZ       LYS 105  -8.477   6.377 -16.493
  766   2HZ   LYS 105          2HZ       LYS 105  -7.240   6.799 -15.514
  767   3HZ   LYS 105          3HZ       LYS 105  -7.711   7.802 -16.714
  768    H    GLY 106           H        GLY 106  -4.197   6.416 -13.732
  769   1HA   GLY 106          2HA       GLY 106  -6.366   8.248 -14.019
  770   2HA   GLY 106          1HA       GLY 106  -4.731   8.598 -13.495
  771    H    SER 107           H        SER 107  -4.569   6.777 -11.249
  772    HA   SER 107           HA       SER 107  -6.662   7.876  -9.544
  773   1HB   SER 107          1HB       SER 107  -6.046   5.962  -7.991
  774   2HB   SER 107          2HB       SER 107  -6.767   5.476  -9.512
  775    HG   SER 107           HG       SER 107  -4.904   4.180  -9.018
  776    H    ALA 108           H        ALA 108  -5.721   7.883  -7.067
  777    HA   ALA 108           HA       ALA 108  -3.639   9.824  -7.133
  778   1HB   ALA 108          1HB       ALA 108  -4.127  10.096  -4.837
  779   2HB   ALA 108          3HB       ALA 108  -5.687   9.632  -5.557
  780   3HB   ALA 108          2HB       ALA 108  -4.722   8.426  -4.674
  781    H    CYS 109           H        CYS 109  -3.616   6.475  -7.438
  782    HA   CYS 109           HA       CYS 109  -1.107   6.223  -5.965
  783   1HB   CYS 109          1HB       CYS 109  -3.054   4.144  -7.001
  784   2HB   CYS 109          2HB       CYS 109  -1.462   3.739  -6.389
  785    H    HIS 110           H        HIS 110  -2.738   5.651  -9.149
  786    HA   HIS 110           HA       HIS 110  -0.065   5.633 -10.353
  787   1HB   HIS 110          1HB       HIS 110  -2.572   4.202 -11.281
  788   2HB   HIS 110          2HB       HIS 110  -1.060   4.258 -12.166
  789    HD1  HIS 110           HD1      HIS 110   1.041   3.576 -10.122
  790    HD2  HIS 110           HD2      HIS 110  -2.718   1.715 -10.183
  791    HE1  HIS 110           HE1      HIS 110   1.324   1.352  -8.903
  792    HA   PRO 111           HA       PRO 111  -2.138   9.302 -12.042
  793   1HB   PRO 111          1HB       PRO 111  -0.319  11.162 -11.313
  794   2HB   PRO 111          2HB       PRO 111  -1.420  10.432 -10.100
  795   1HG   PRO 111          2HG       PRO 111   1.218   9.767 -11.003
  796   2HG   PRO 111          1HG       PRO 111   1.095   9.764  -9.214
  797   1HD   PRO 111          1HD       PRO 111   1.127   7.435 -10.581
  798   2HD   PRO 111          2HD       PRO 111  -0.036   7.647  -9.237
  799    H    SER 112           H        SER 112  -1.459   7.847 -14.036
  800    HA   SER 112           HA       SER 112   0.678   9.316 -15.344
  801   1HB   SER 112          1HB       SER 112   1.028   6.710 -14.462
  802   2HB   SER 112          2HB       SER 112   0.494   6.454 -16.111
  803    HG   SER 112           HG       SER 112   2.466   8.462 -15.720

  No H/Q in entry =         803
  Start of MODEL   14
    1    H1   VAL   1           H1       VAL   1   6.134   7.213  15.570
    2    H2   VAL   1           H2       VAL   1   7.040   6.105  14.737
    3    H3   VAL   1           H3       VAL   1   6.313   5.676  16.162
    4    HA   VAL   1           HA       VAL   1   7.645   7.093  17.406
    5    HB   VAL   1           HB       VAL   1   9.446   5.740  17.439
    6   1HG1  VAL   1          1HG1      VAL   1   7.340   4.361  16.952
    7   2HG1  VAL   1          2HG1      VAL   1   7.998   4.151  15.311
    8   3HG1  VAL   1          3HG1      VAL   1   8.911   3.557  16.719
    9   1HG2  VAL   1          1HG2      VAL   1   9.594   6.234  14.478
   10   2HG2  VAL   1          2HG2      VAL   1  10.812   6.524  15.743
   11   3HG2  VAL   1          3HG2      VAL   1  10.482   4.865  15.189
   12    H    ASP   2           H        ASP   2   7.383   7.815  14.055
   13    HA   ASP   2           HA       ASP   2   8.220  10.395  14.384
   14   1HB   ASP   2          1HB       ASP   2  10.484   8.982  14.459
   15   2HB   ASP   2          2HB       ASP   2  10.284   8.934  12.719
   16    H    VAL   3           H        VAL   3   6.060  10.056  13.182
   17    HA   VAL   3           HA       VAL   3   5.852   8.862  10.712
   18    HB   VAL   3           HB       VAL   3   4.261  10.329  12.447
   19   1HG1  VAL   3          1HG1      VAL   3   4.424  11.741   9.765
   20   2HG1  VAL   3          2HG1      VAL   3   3.104  11.955  10.940
   21   3HG1  VAL   3          3HG1      VAL   3   4.765  12.429  11.371
   22   1HG2  VAL   3          1HG2      VAL   3   3.858   8.867   9.865
   23   2HG2  VAL   3          2HG2      VAL   3   3.252   8.497  11.497
   24   3HG2  VAL   3          3HG2      VAL   3   2.497   9.794  10.539
   25    HA   PRO   4           HA       PRO   4   8.870  11.241   8.452
   26   1HB   PRO   4          2HB       PRO   4   7.501   9.727   6.227
   27   2HB   PRO   4          1HB       PRO   4   9.239   9.866   6.651
   28   1HG   PRO   4          1HG       PRO   4   7.965   7.657   7.229
   29   2HG   PRO   4          2HG       PRO   4   9.237   8.210   8.368
   30   1HD   PRO   4          2HD       PRO   4   6.219   8.377   8.556
   31   2HD   PRO   4          1HD       PRO   4   7.431   8.237   9.866
   32    H    ALA   5           H        ALA   5   8.715  12.851   6.597
   33    HA   ALA   5           HA       ALA   5   6.180  14.218   6.790
   34   1HB   ALA   5          1HB       ALA   5   7.358  16.038   5.720
   35   2HB   ALA   5          2HB       ALA   5   8.689  14.959   5.238
   36   3HB   ALA   5          3HB       ALA   5   8.434  15.343   6.957
   37    H    ASP   6           H        ASP   6   4.881  14.821   4.936
   38    HA   ASP   6           HA       ASP   6   4.312  12.769   3.273
   39   1HB   ASP   6          2HB       ASP   6   2.842  14.257   2.182
   40   2HB   ASP   6          1HB       ASP   6   3.046  14.999   3.756
   41    H    GLY   7           H        GLY   7   4.277  13.485   0.601
   42   1HA   GLY   7          2HA       GLY   7   6.804  14.560  -0.272
   43   2HA   GLY   7          1HA       GLY   7   5.501  13.935  -1.263
   44    H    ALA   8           H        ALA   8   5.958  11.611   1.104
   45    HA   ALA   8           HA       ALA   8   8.336  10.367   0.336
   46   1HB   ALA   8          1HB       ALA   8   5.859   9.675   1.854
   47   2HB   ALA   8          2HB       ALA   8   7.568   9.542   2.332
   48   3HB   ALA   8          3HB       ALA   8   6.844   8.314   1.265
   49    H    LYS   9           H        LYS   9   8.846   8.849  -1.242
   50    HA   LYS   9           HA       LYS   9   6.665   8.223  -3.109
   51   1HB   LYS   9          1HB       LYS   9   9.544   8.943  -3.729
   52   2HB   LYS   9          2HB       LYS   9   8.425   8.275  -4.899
   53   1HG   LYS   9          1HG       LYS   9   7.048  10.198  -4.892
   54   2HG   LYS   9          2HG       LYS   9   7.593  10.710  -3.307
   55   1HD   LYS   9          1HD       LYS   9   9.929  11.050  -4.391
   56   2HD   LYS   9          2HD       LYS   9   9.123  10.869  -5.937
   57   1HE   LYS   9          2HE       LYS   9   8.874  13.153  -5.749
   58   2HE   LYS   9          1HE       LYS   9   7.455  12.704  -4.825
   59   1HZ   LYS   9          1HZ       LYS   9   9.477  12.611  -3.030
   60   2HZ   LYS   9          2HZ       LYS   9   9.843  13.923  -3.932
   61   3HZ   LYS   9          3HZ       LYS   9   8.393  13.822  -3.188
   62    H    ILE  10           H        ILE  10   6.452   6.091  -3.737
   63    HA   ILE  10           HA       ILE  10   8.369   4.256  -2.478
   64    HB   ILE  10           HB       ILE  10   5.467   3.786  -3.172
   65   1HG1  ILE  10          1HG1      ILE  10   6.468   3.926  -0.356
   66   2HG1  ILE  10          2HG1      ILE  10   6.211   5.432  -1.214
   67   1HG2  ILE  10          1HG2      ILE  10   6.906   1.772  -3.256
   68   2HG2  ILE  10          2HG2      ILE  10   7.387   2.075  -1.569
   69   3HG2  ILE  10          3HG2      ILE  10   5.689   1.711  -1.959
   70   1HD1  ILE  10          1HD1      ILE  10   4.106   3.229  -1.076
   71   2HD1  ILE  10          2HD1      ILE  10   4.192   4.577   0.083
   72   3HD1  ILE  10          3HD1      ILE  10   3.884   4.903  -1.640
   73    H    ASP  11           H        ASP  11   9.509   2.867  -3.757
   74    HA   ASP  11           HA       ASP  11   8.517   2.128  -6.295
   75   1HB   ASP  11          1HB       ASP  11   9.351   4.193  -7.126
   76   2HB   ASP  11          2HB       ASP  11  10.731   4.180  -6.045
   77    H    PHE  12           H        PHE  12   8.935  -0.025  -5.513
   78    HA   PHE  12           HA       PHE  12  11.760  -0.598  -4.951
   79   1HB   PHE  12          1HB       PHE  12   9.149  -2.009  -4.130
   80   2HB   PHE  12          2HB       PHE  12  10.749  -2.550  -3.662
   81    HD1  PHE  12           HD1      PHE  12  12.048   0.000  -2.930
   82    HD2  PHE  12           HD2      PHE  12   8.122  -1.401  -2.136
   83    HE1  PHE  12           HE1      PHE  12  11.942   1.454  -0.886
   84    HE2  PHE  12           HE2      PHE  12   8.016   0.052  -0.093
   85    HZ   PHE  12           HZ       PHE  12   9.927   1.463   0.508
   86    H    ILE  13           H        ILE  13   8.880  -1.332  -6.874
   87    HA   ILE  13           HA       ILE  13  10.224  -3.638  -8.051
   88    HB   ILE  13           HB       ILE  13   7.402  -2.590  -8.270
   89   1HG1  ILE  13          1HG1      ILE  13   8.348  -5.188  -7.047
   90   2HG1  ILE  13          2HG1      ILE  13   8.204  -3.713  -6.112
   91   1HG2  ILE  13          1HG2      ILE  13   8.541  -3.807 -10.321
   92   2HG2  ILE  13          2HG2      ILE  13   8.208  -5.259  -9.346
   93   3HG2  ILE  13          3HG2      ILE  13   6.874  -4.182  -9.823
   94   1HD1  ILE  13          1HD1      ILE  13   5.930  -4.915  -7.755
   95   2HD1  ILE  13          2HD1      ILE  13   6.149  -5.161  -6.006
   96   3HD1  ILE  13          3HD1      ILE  13   5.819  -3.531  -6.641
   97    H    ALA  14           H        ALA  14  11.776  -2.949  -9.471
   98    HA   ALA  14           HA       ALA  14  11.354  -0.611 -11.063
   99   1HB   ALA  14          1HB       ALA  14  13.518  -2.119 -12.076
  100   2HB   ALA  14          2HB       ALA  14  13.596  -0.741 -10.953
  101   3HB   ALA  14          3HB       ALA  14  13.516  -2.403 -10.319
  102    H    GLY  15           H        GLY  15   9.658  -0.781 -12.505
  103   1HA   GLY  15          2HA       GLY  15   8.710  -3.007 -13.772
  104   2HA   GLY  15          1HA       GLY  15  10.047  -2.487 -14.778
  105    H    GLY  16           H        GLY  16   7.564  -2.430 -15.928
  106   1HA   GLY  16          2HA       GLY  16   6.242   0.091 -15.559
  107   2HA   GLY  16          1HA       GLY  16   5.924  -1.120 -16.785
  108    H    GLU  17           H        GLU  17   5.719   1.167 -17.944
  109    HA   GLU  17           HA       GLU  17   7.447   1.314 -19.929
  110   1HB   GLU  17          1HB       GLU  17   5.538   3.154 -18.691
  111   2HB   GLU  17          2HB       GLU  17   6.861   4.036 -19.428
  112   1HG   GLU  17          1HG       GLU  17   5.062   1.978 -20.785
  113   2HG   GLU  17          2HG       GLU  17   5.104   3.701 -21.099
  114    H    LYS  18           H        LYS  18   7.801   3.096 -16.790
  115    HA   LYS  18           HA       LYS  18  10.669   3.231 -17.347
  116   1HB   LYS  18          1HB       LYS  18  10.645   5.565 -16.368
  117   2HB   LYS  18          2HB       LYS  18   9.998   5.398 -17.988
  118   1HG   LYS  18          1HG       LYS  18   7.686   5.042 -16.672
  119   2HG   LYS  18          2HG       LYS  18   8.527   5.904 -15.399
  120   1HD   LYS  18          1HD       LYS  18   8.324   7.893 -16.486
  121   2HD   LYS  18          2HD       LYS  18   8.955   7.223 -17.977
  122   1HE   LYS  18          1HE       LYS  18   6.233   6.244 -17.397
  123   2HE   LYS  18          2HE       LYS  18   6.292   7.993 -17.498
  124   1HZ   LYS  18          1HZ       LYS  18   7.760   6.609 -19.539
  125   2HZ   LYS  18          2HZ       LYS  18   6.141   6.403 -19.599
  126   3HZ   LYS  18          3HZ       LYS  18   6.776   7.907 -19.660
  127    H    ASN  19           H        ASN  19   8.099   3.935 -14.872
  128    HA   ASN  19           HA       ASN  19   8.814   1.976 -13.156
  129   1HB   ASN  19          1HB       ASN  19  10.081   3.337 -11.375
  130   2HB   ASN  19          2HB       ASN  19  11.016   2.910 -12.794
  131   2HD2  ASN  19          2HD2      ASN  19  12.122   4.826 -11.568
  132   1HD2  ASN  19          1HD2      ASN  19  11.831   6.399 -12.231
  133    H    LEU  20           H        LEU  20   6.808   1.917 -12.132
  134    HA   LEU  20           HA       LEU  20   5.248   4.294 -11.893
  135   1HB   LEU  20          1HB       LEU  20   4.842   1.429 -11.045
  136   2HB   LEU  20          2HB       LEU  20   3.672   2.692 -10.721
  137    HG   LEU  20           HG       LEU  20   4.496   1.511 -13.363
  138   1HD1  LEU  20          1HD1      LEU  20   2.163   1.439 -11.625
  139   2HD1  LEU  20          2HD1      LEU  20   1.748   1.922 -13.287
  140   3HD1  LEU  20          3HD1      LEU  20   2.608   0.392 -12.994
  141   1HD2  LEU  20          1HD2      LEU  20   3.480   4.279 -12.854
  142   2HD2  LEU  20          2HD2      LEU  20   4.631   3.684 -14.074
  143   3HD2  LEU  20          3HD2      LEU  20   2.887   3.390 -14.277
  144    H    THR  21           H        THR  21   5.636   5.815 -10.380
  145    HA   THR  21           HA       THR  21   6.638   4.876  -7.774
  146    HB   THR  21           HB       THR  21   6.829   7.719  -8.837
  147    HG1  THR  21           HG1      THR  21   8.603   5.418  -9.261
  148   1HG2  THR  21          1HG2      THR  21   8.399   5.929  -6.932
  149   2HG2  THR  21          2HG2      THR  21   9.146   7.368  -7.667
  150   3HG2  THR  21          3HG2      THR  21   7.720   7.544  -6.617
  151    H    VAL  22           H        VAL  22   5.102   4.690  -6.274
  152    HA   VAL  22           HA       VAL  22   2.759   6.403  -6.516
  153    HB   VAL  22           HB       VAL  22   3.403   3.967  -4.849
  154   1HG1  VAL  22          1HG1      VAL  22   1.900   5.656  -3.695
  155   2HG1  VAL  22          2HG1      VAL  22   0.722   5.372  -5.000
  156   3HG1  VAL  22          3HG1      VAL  22   1.207   4.033  -3.931
  157   1HG2  VAL  22          1HG2      VAL  22   2.227   4.398  -7.487
  158   2HG2  VAL  22          2HG2      VAL  22   2.798   2.896  -6.720
  159   3HG2  VAL  22          3HG2      VAL  22   1.147   3.483  -6.408
  160    H    VAL  23           H        VAL  23   2.354   8.110  -5.174
  161    HA   VAL  23           HA       VAL  23   4.427   8.689  -3.209
  162    HB   VAL  23           HB       VAL  23   2.199  10.377  -4.367
  163   1HG1  VAL  23          1HG1      VAL  23   4.111  10.819  -2.162
  164   2HG1  VAL  23          2HG1      VAL  23   4.057  12.123  -3.372
  165   3HG1  VAL  23          3HG1      VAL  23   2.569  11.629  -2.529
  166   1HG2  VAL  23          1HG2      VAL  23   4.884   9.694  -5.312
  167   2HG2  VAL  23          2HG2      VAL  23   3.531  10.474  -6.167
  168   3HG2  VAL  23          3HG2      VAL  23   4.630  11.450  -5.163
  169    H    PHE  24           H        PHE  24   4.089   8.590  -1.029
  170    HA   PHE  24           HA       PHE  24   1.309   8.193  -0.175
  171   1HB   PHE  24          1HB       PHE  24   2.922   6.139  -0.228
  172   2HB   PHE  24          2HB       PHE  24   3.872   6.961   0.993
  173    HD1  PHE  24           HD1      PHE  24   0.350   5.885   0.375
  174    HD2  PHE  24           HD2      PHE  24   3.446   6.490   3.213
  175    HE1  PHE  24           HE1      PHE  24  -1.102   4.898   2.169
  176    HE2  PHE  24           HE2      PHE  24   1.995   5.504   5.007
  177    HZ   PHE  24           HZ       PHE  24  -0.262   4.720   4.464
  178    H    ASN  25           H        ASN  25   0.696   9.174   1.794
  179    HA   ASN  25           HA       ASN  25   2.776  10.844   2.970
  180   1HB   ASN  25          2HB       ASN  25   0.118  11.977   3.361
  181   2HB   ASN  25          1HB       ASN  25   1.514  12.716   2.601
  182   2HD2  ASN  25          2HD2      ASN  25   2.045  11.763   0.373
  183   1HD2  ASN  25          1HD2      ASN  25   0.721  11.589  -0.731
  184    H    HIS  26           H        HIS  26   2.945  10.530   5.208
  185    HA   HIS  26           HA       HIS  26   1.214   8.634   6.426
  186   1HB   HIS  26          1HB       HIS  26   3.706  10.083   7.110
  187   2HB   HIS  26          2HB       HIS  26   2.694   9.650   8.474
  188    HD1  HIS  26           HD1      HIS  26   4.651   8.083   5.627
  189    HD2  HIS  26           HD2      HIS  26   2.661   6.935   9.137
  190    HE1  HIS  26           HE1      HIS  26   5.264   5.639   6.029
  191    H    SER  27           H        SER  27   1.190  12.075   5.960
  192    HA   SER  27           HA       SER  27  -0.393  12.544   8.304
  193   1HB   SER  27          1HB       SER  27  -0.488  14.906   7.373
  194   2HB   SER  27          2HB       SER  27   1.125  14.308   7.707
  195    HG   SER  27           HG       SER  27   1.172  15.274   5.657
  196    H    THR  28           H        THR  28  -1.152  10.795   5.787
  197    HA   THR  28           HA       THR  28  -3.693  12.164   5.201
  198    HB   THR  28           HB       THR  28  -2.138  10.051   3.615
  199    HG1  THR  28           HG1      THR  28  -2.646  12.935   3.386
  200   1HG2  THR  28          1HG2      THR  28  -4.818  11.356   3.306
  201   2HG2  THR  28          2HG2      THR  28  -3.783  11.375   1.857
  202   3HG2  THR  28          3HG2      THR  28  -4.220   9.826   2.618
  203    H    HIS  29           H        HIS  29  -2.125   9.194   6.383
  204    HA   HIS  29           HA       HIS  29  -4.797   8.093   6.826
  205   1HB   HIS  29          2HB       HIS  29  -2.110   6.691   6.881
  206   2HB   HIS  29          1HB       HIS  29  -3.677   5.931   7.075
  207    HD1  HIS  29           HD1      HIS  29  -1.488   7.581   4.461
  208    HD2  HIS  29           HD2      HIS  29  -5.076   5.422   4.701
  209    HE1  HIS  29           HE1      HIS  29  -2.126   6.986   2.063
  210    H    LYS  30           H        LYS  30  -3.345  10.289   8.374
  211    HA   LYS  30           HA       LYS  30  -2.359   9.290  10.762
  212   1HB   LYS  30          2HB       LYS  30  -2.689  11.518  11.621
  213   2HB   LYS  30          1HB       LYS  30  -2.115  11.615   9.969
  214   1HG   LYS  30          1HG       LYS  30  -3.873  13.111   9.802
  215   2HG   LYS  30          2HG       LYS  30  -4.753  11.643   9.424
  216   1HD   LYS  30          1HD       LYS  30  -6.100  12.630  11.090
  217   2HD   LYS  30          2HD       LYS  30  -5.168  11.459  12.002
  218   1HE   LYS  30          2HE       LYS  30  -4.379  13.129  13.318
  219   2HE   LYS  30          1HE       LYS  30  -3.582  13.837  11.927
  220   1HZ   LYS  30          1HZ       LYS  30  -5.944  14.727  11.455
  221   2HZ   LYS  30          2HZ       LYS  30  -6.182  14.478  13.051
  222   3HZ   LYS  30          3HZ       LYS  30  -4.995  15.482  12.550
  223    H    ASP  31           H        ASP  31  -5.568   9.223   9.443
  224    HA   ASP  31           HA       ASP  31  -6.823   9.103  12.004
  225   1HB   ASP  31          2HB       ASP  31  -8.859   9.021  10.808
  226   2HB   ASP  31          1HB       ASP  31  -7.826   9.976   9.764
  227    H    VAL  32           H        VAL  32  -4.865   7.037  10.246
  228    HA   VAL  32           HA       VAL  32  -6.339   4.648  11.119
  229    HB   VAL  32           HB       VAL  32  -4.238   4.819   8.958
  230   1HG1  VAL  32          1HG1      VAL  32  -5.304   2.636  10.302
  231   2HG1  VAL  32          2HG1      VAL  32  -6.254   2.706   8.799
  232   3HG1  VAL  32          3HG1      VAL  32  -4.479   2.603   8.725
  233   1HG2  VAL  32          1HG2      VAL  32  -7.046   5.635   8.891
  234   2HG2  VAL  32          2HG2      VAL  32  -5.748   5.898   7.702
  235   3HG2  VAL  32          3HG2      VAL  32  -6.669   4.374   7.693
  236    H    LYS  33           H        LYS  33  -5.338   3.244  12.530
  237    HA   LYS  33           HA       LYS  33  -3.255   4.181  14.086
  238   1HB   LYS  33          1HB       LYS  33  -4.254   1.346  13.680
  239   2HB   LYS  33          2HB       LYS  33  -3.190   1.857  14.974
  240   1HG   LYS  33          1HG       LYS  33  -4.857   3.158  16.026
  241   2HG   LYS  33          2HG       LYS  33  -5.781   3.358  14.550
  242   1HD   LYS  33          1HD       LYS  33  -6.058   0.713  14.705
  243   2HD   LYS  33          2HD       LYS  33  -5.651   0.958  16.392
  244   1HE   LYS  33          1HE       LYS  33  -7.500   2.788  16.407
  245   2HE   LYS  33          2HE       LYS  33  -8.004   2.140  14.859
  246   1HZ   LYS  33          1HZ       LYS  33  -8.014  -0.071  16.079
  247   2HZ   LYS  33          2HZ       LYS  33  -8.001   0.806  17.456
  248   3HZ   LYS  33          3HZ       LYS  33  -9.230   0.973  16.394
  249    H    CYS  34           H        CYS  34  -1.060   3.151  14.387
  250    HA   CYS  34           HA       CYS  34   0.269   3.207  11.877
  251   1HB   CYS  34          1HB       CYS  34   1.487   2.418  14.521
  252   2HB   CYS  34          2HB       CYS  34   2.288   3.090  13.114
  253    H    ASP  35           H        ASP  35  -0.626   0.754  14.368
  254    HA   ASP  35           HA       ASP  35   0.786  -1.339  13.205
  255   1HB   ASP  35          1HB       ASP  35  -0.792  -2.783  14.563
  256   2HB   ASP  35          2HB       ASP  35   0.014  -1.532  15.487
  257    H    ASP  36           H        ASP  36  -1.889   0.459  12.103
  258    HA   ASP  36           HA       ASP  36  -3.552  -1.514  11.102
  259   1HB   ASP  36          1HB       ASP  36  -3.763   1.138  11.282
  260   2HB   ASP  36          2HB       ASP  36  -3.108   1.111   9.657
  261    H    CYS  37           H        CYS  37  -0.374  -0.397  10.195
  262    HA   CYS  37           HA       CYS  37  -0.581  -1.920   7.707
  263   1HB   CYS  37          1HB       CYS  37   0.841   0.740   8.052
  264   2HB   CYS  37          2HB       CYS  37   1.002  -0.300   6.651
  265    H    HIS  38           H        HIS  38   1.556  -0.385  10.211
  266    HA   HIS  38           HA       HIS  38   3.720  -2.122   9.620
  267   1HB   HIS  38          1HB       HIS  38   3.205  -0.294  11.982
  268   2HB   HIS  38          2HB       HIS  38   4.720  -1.116  11.662
  269    HD1  HIS  38           HD1      HIS  38   5.924  -0.427   9.295
  270    HD2  HIS  38           HD2      HIS  38   2.932   2.141  10.728
  271    HE1  HIS  38           HE1      HIS  38   6.232   1.787   8.064
  272    H    HIS  39           H        HIS  39   2.288  -4.129   9.688
  273    HA   HIS  39           HA       HIS  39   1.550  -4.956  12.346
  274   1HB   HIS  39          1HB       HIS  39   0.359  -6.663  11.342
  275   2HB   HIS  39          2HB       HIS  39   0.247  -5.373  10.160
  276    HD1  HIS  39           HD1      HIS  39   0.930  -8.881  10.362
  277    HD2  HIS  39           HD2      HIS  39   2.471  -5.716   8.081
  278    HE1  HIS  39           HE1      HIS  39   2.065  -9.944   8.339
  279    H    GLN  40           H        GLN  40   4.211  -4.429  12.448
  280    HA   GLN  40           HA       GLN  40   5.457  -7.041  12.114
  281   1HB   GLN  40          1HB       GLN  40   6.493  -4.217  12.006
  282   2HB   GLN  40          2HB       GLN  40   7.585  -5.462  12.577
  283   1HG   GLN  40          1HG       GLN  40   7.531  -4.952  10.015
  284   2HG   GLN  40          2HG       GLN  40   7.558  -6.629  10.523
  285   2HE2  GLN  40          2HE2      GLN  40   5.736  -7.907  10.359
  286   1HE2  GLN  40          1HE2      GLN  40   4.359  -7.484   9.397
  287    HA   PRO  41           HA       PRO  41   5.479  -7.214  16.547
  288   1HB   PRO  41          1HB       PRO  41   6.335  -9.730  16.847
  289   2HB   PRO  41          2HB       PRO  41   4.804  -9.419  15.964
  290   1HG   PRO  41          2HG       PRO  41   7.595  -9.712  14.794
  291   2HG   PRO  41          1HG       PRO  41   6.197 -10.666  14.199
  292   1HD   PRO  41          1HD       PRO  41   7.016  -8.373  12.953
  293   2HD   PRO  41          2HD       PRO  41   5.276  -8.763  13.108
  294    H    GLY  42           H        GLY  42   7.099  -7.253  18.304
  295   1HA   GLY  42          2HA       GLY  42   9.882  -7.548  17.578
  296   2HA   GLY  42          1HA       GLY  42   9.214  -7.206  19.161
  297    H    ASP  43           H        ASP  43  11.051  -5.605  19.253
  298    HA   ASP  43           HA       ASP  43  10.225  -3.085  19.166
  299   1HB   ASP  43          1HB       ASP  43  12.675  -4.422  19.564
  300   2HB   ASP  43          2HB       ASP  43  13.040  -3.259  18.305
  301    H    LYS  44           H        LYS  44  11.296  -5.120  16.468
  302    HA   LYS  44           HA       LYS  44  11.624  -2.879  14.674
  303   1HB   LYS  44          1HB       LYS  44  12.986  -5.092  14.732
  304   2HB   LYS  44          2HB       LYS  44  11.617  -5.790  13.890
  305   1HG   LYS  44          1HG       LYS  44  11.814  -3.855  12.202
  306   2HG   LYS  44          2HG       LYS  44  13.329  -3.436  12.976
  307   1HD   LYS  44          1HD       LYS  44  13.591  -6.193  12.555
  308   2HD   LYS  44          2HD       LYS  44  12.717  -5.664  11.130
  309   1HE   LYS  44          1HE       LYS  44  14.719  -3.693  11.508
  310   2HE   LYS  44          2HE       LYS  44  15.524  -5.211  11.854
  311   1HZ   LYS  44          1HZ       LYS  44  13.821  -5.182   9.530
  312   2HZ   LYS  44          2HZ       LYS  44  15.190  -4.298   9.425
  313   3HZ   LYS  44          3HZ       LYS  44  15.273  -5.897   9.750
  314    H    GLN  45           H        GLN  45   9.140  -2.637  15.757
  315    HA   GLN  45           HA       GLN  45   7.233  -4.073  14.236
  316   1HB   GLN  45          1HB       GLN  45   6.508  -3.409  16.394
  317   2HB   GLN  45          2HB       GLN  45   7.121  -1.778  16.209
  318   1HG   GLN  45          1HG       GLN  45   5.373  -1.219  14.598
  319   2HG   GLN  45          2HG       GLN  45   4.852  -2.889  14.498
  320   2HE2  GLN  45          2HE2      GLN  45   2.883  -1.367  14.994
  321   1HE2  GLN  45          1HE2      GLN  45   2.387  -1.317  16.653
  322    H    TYR  46           H        TYR  46   9.214  -1.344  13.740
  323    HA   TYR  46           HA       TYR  46   7.519  -0.454  11.452
  324   1HB   TYR  46          1HB       TYR  46   9.451   1.128  13.180
  325   2HB   TYR  46          2HB       TYR  46   8.625   1.752  11.742
  326    HD1  TYR  46           HD1      TYR  46   8.199   0.652  15.245
  327    HD2  TYR  46           HD2      TYR  46   6.282   2.342  11.792
  328    HE1  TYR  46           HE1      TYR  46   6.259   1.307  16.643
  329    HE2  TYR  46           HE2      TYR  46   4.341   2.997  13.191
  330    HH   TYR  46           HH       TYR  46   3.315   2.050  15.579
  331    H    ALA  47           H        ALA  47   8.801  -2.450  10.476
  332    HA   ALA  47           HA       ALA  47  11.435  -1.461   9.623
  333   1HB   ALA  47          1HB       ALA  47  10.527  -3.989  10.689
  334   2HB   ALA  47          3HB       ALA  47  12.179  -3.479  10.267
  335   3HB   ALA  47          2HB       ALA  47  11.135  -4.225   9.033
  336    H    GLY  48           H        GLY  48  11.903  -2.870   7.363
  337   1HA   GLY  48          2HA       GLY  48  11.524  -2.673   5.143
  338   2HA   GLY  48          1HA       GLY  48  10.166  -1.616   5.475
  339    H    CYS  49           H        CYS  49   8.784  -2.623   3.922
  340    HA   CYS  49           HA       CYS  49   7.461  -4.935   4.954
  341   1HB   CYS  49          1HB       CYS  49   6.927  -3.602   2.303
  342   2HB   CYS  49          2HB       CYS  49   5.836  -4.574   3.270
  343    H    THR  50           H        THR  50   9.858  -4.083   2.468
  344    HA   THR  50           HA       THR  50   9.672  -6.721   1.246
  345    HB   THR  50           HB       THR  50  11.412  -5.661  -0.293
  346    HG1  THR  50           HG1      THR  50  12.080  -4.190   1.552
  347   1HG2  THR  50          1HG2      THR  50   8.789  -4.198   0.256
  348   2HG2  THR  50          2HG2      THR  50   9.886  -3.698  -1.054
  349   3HG2  THR  50          3HG2      THR  50   9.155  -5.321  -1.076
  350    H    THR  51           H        THR  51  10.562  -6.203   4.131
  351    HA   THR  51           HA       THR  51  13.358  -6.734   4.162
  352    HB   THR  51           HB       THR  51  11.244  -7.192   6.329
  353    HG1  THR  51           HG1      THR  51  11.948  -4.875   6.756
  354   1HG2  THR  51          1HG2      THR  51  13.726  -7.901   6.705
  355   2HG2  THR  51          2HG2      THR  51  14.106  -6.166   6.588
  356   3HG2  THR  51          3HG2      THR  51  13.033  -6.757   7.879
  357    H    ASP  52           H        ASP  52  14.408  -8.692   4.949
  358    HA   ASP  52           HA       ASP  52  13.711 -10.856   3.447
  359   1HB   ASP  52          1HB       ASP  52  15.175 -11.038   6.112
  360   2HB   ASP  52          2HB       ASP  52  15.386 -12.075   4.715
  361    H    GLY  53           H        GLY  53  12.891 -13.037   4.166
  362   1HA   GLY  53          2HA       GLY  53  11.849 -13.613   6.670
  363   2HA   GLY  53          1HA       GLY  53  11.365 -14.354   5.158
  364    H    CYS  54           H        CYS  54  10.651 -11.456   4.167
  365    HA   CYS  54           HA       CYS  54   8.013 -11.479   5.425
  366   1HB   CYS  54          1HB       CYS  54   9.482  -8.919   4.738
  367   2HB   CYS  54          2HB       CYS  54   7.944  -9.081   5.561
  368    H    HIS  55           H        HIS  55   7.991  -8.838   3.496
  369    HA   HIS  55           HA       HIS  55   7.075 -10.395   1.221
  370   1HB   HIS  55          2HB       HIS  55   6.758  -7.421   1.653
  371   2HB   HIS  55          1HB       HIS  55   5.853  -8.457   0.567
  372    HD1  HIS  55           HD1      HIS  55   4.230 -10.285   1.793
  373    HD2  HIS  55           HD2      HIS  55   5.652  -7.128   4.161
  374    HE1  HIS  55           HE1      HIS  55   2.727 -10.204   3.853
  375    H    ASN  56           H        ASN  56   9.786 -10.603   1.405
  376    HA   ASN  56           HA       ASN  56  10.989  -8.464  -0.053
  377   1HB   ASN  56          1HB       ASN  56  12.210  -9.792   1.724
  378   2HB   ASN  56          2HB       ASN  56  12.094 -11.219   0.714
  379   2HD2  ASN  56          2HD2      ASN  56  14.430  -9.801   1.715
  380   1HD2  ASN  56          1HD2      ASN  56  15.388  -9.342   0.347
  381    H    ILE  57           H        ILE  57   9.232  -8.948  -1.860
  382    HA   ILE  57           HA       ILE  57  10.446 -10.835  -3.740
  383    HB   ILE  57           HB       ILE  57   7.486 -10.571  -3.203
  384   1HG1  ILE  57          1HG1      ILE  57   9.015 -11.823  -1.505
  385   2HG1  ILE  57          2HG1      ILE  57   7.522 -12.563  -2.047
  386   1HG2  ILE  57          1HG2      ILE  57   9.023 -11.645  -5.448
  387   2HG2  ILE  57          2HG2      ILE  57   7.895 -12.825  -4.739
  388   3HG2  ILE  57          3HG2      ILE  57   7.292 -11.253  -5.318
  389   1HD1  ILE  57          1HD1      ILE  57   9.950 -13.120  -3.714
  390   2HD1  ILE  57          2HD1      ILE  57   9.897 -13.863  -2.098
  391   3HD1  ILE  57          3HD1      ILE  57   8.602 -14.196  -3.273
  392    H    LEU  58           H        LEU  58  11.078  -9.759  -5.525
  393    HA   LEU  58           HA       LEU  58   9.616  -7.289  -6.150
  394   1HB   LEU  58          1HB       LEU  58  12.487  -8.028  -6.735
  395   2HB   LEU  58          2HB       LEU  58  11.693  -6.550  -7.242
  396    HG   LEU  58           HG       LEU  58  12.324  -7.409  -4.408
  397   1HD1  LEU  58          1HD1      LEU  58  14.165  -6.479  -5.869
  398   2HD1  LEU  58          2HD1      LEU  58  13.258  -4.948  -5.896
  399   3HD1  LEU  58          3HD1      LEU  58  13.855  -5.601  -4.352
  400   1HD2  LEU  58          1HD2      LEU  58  10.772  -4.978  -5.342
  401   2HD2  LEU  58          2HD2      LEU  58  10.139  -6.352  -4.404
  402   3HD2  LEU  58          3HD2      LEU  58  11.351  -5.266  -3.683
  403    H    ASP  59           H        ASP  59   9.469 -10.413  -6.891
  404    HA   ASP  59           HA       ASP  59   9.638 -10.068  -9.755
  405   1HB   ASP  59          1HB       ASP  59   8.929 -12.606  -9.606
  406   2HB   ASP  59          2HB       ASP  59  10.570 -12.141  -9.204
  407    H    LYS  60           H        LYS  60   7.685  -8.498  -9.492
  408    HA   LYS  60           HA       LYS  60   5.260  -9.044  -8.513
  409   1HB   LYS  60          1HB       LYS  60   5.913  -6.958  -9.647
  410   2HB   LYS  60          2HB       LYS  60   5.845  -7.765 -11.200
  411   1HG   LYS  60          1HG       LYS  60   3.391  -8.082  -9.537
  412   2HG   LYS  60          2HG       LYS  60   3.725  -6.434 -10.031
  413   1HD   LYS  60          1HD       LYS  60   3.937  -8.612 -12.112
  414   2HD   LYS  60          2HD       LYS  60   2.337  -8.111 -11.601
  415   1HE   LYS  60          1HE       LYS  60   2.704  -5.834 -12.304
  416   2HE   LYS  60          2HE       LYS  60   4.435  -6.072 -12.446
  417   1HZ   LYS  60          1HZ       LYS  60   3.193  -7.941 -14.062
  418   2HZ   LYS  60          2HZ       LYS  60   2.487  -6.502 -14.373
  419   3HZ   LYS  60          3HZ       LYS  60   4.105  -6.667 -14.521
  420    H    ALA  61           H        ALA  61   3.276 -10.010  -9.285
  421    HA   ALA  61           HA       ALA  61   2.055 -11.589 -10.245
  422   1HB   ALA  61          1HB       ALA  61   3.843 -12.294 -12.469
  423   2HB   ALA  61          3HB       ALA  61   2.180 -11.659 -12.500
  424   3HB   ALA  61          2HB       ALA  61   3.557 -10.542 -12.338
  425    H    ASP  62           H        ASP  62   3.679 -12.287  -8.106
  426    HA   ASP  62           HA       ASP  62   4.886 -14.792  -8.935
  427   1HB   ASP  62          1HB       ASP  62   6.090 -13.042  -7.444
  428   2HB   ASP  62          2HB       ASP  62   4.976 -13.506  -6.174
  429    H    LYS  63           H        LYS  63   4.623 -16.486  -6.860
  430    HA   LYS  63           HA       LYS  63   1.788 -16.419  -6.098
  431   1HB   LYS  63          1HB       LYS  63   2.921 -18.182  -7.929
  432   2HB   LYS  63          2HB       LYS  63   2.899 -19.104  -6.439
  433   1HG   LYS  63          1HG       LYS  63   0.475 -17.572  -7.486
  434   2HG   LYS  63          2HG       LYS  63   0.774 -19.259  -7.855
  435   1HD   LYS  63          1HD       LYS  63   0.156 -19.965  -5.761
  436   2HD   LYS  63          2HD       LYS  63   0.978 -18.640  -4.961
  437   1HE   LYS  63          1HE       LYS  63  -1.670 -18.332  -6.454
  438   2HE   LYS  63          2HE       LYS  63  -1.556 -18.605  -4.727
  439   1HZ   LYS  63          1HZ       LYS  63  -0.232 -16.590  -4.573
  440   2HZ   LYS  63          2HZ       LYS  63  -0.397 -16.327  -6.176
  441   3HZ   LYS  63          3HZ       LYS  63  -1.707 -16.283  -5.203
  442    H    SER  64           H        SER  64   2.401 -15.458  -4.075
  443    HA   SER  64           HA       SER  64   2.901 -17.340  -2.111
  444   1HB   SER  64          1HB       SER  64   5.296 -16.188  -3.292
  445   2HB   SER  64          2HB       SER  64   5.171 -15.684  -1.618
  446    HG   SER  64           HG       SER  64   6.281 -17.818  -2.125
  447    H    VAL  65           H        VAL  65   3.041 -16.244   0.112
  448    HA   VAL  65           HA       VAL  65   1.422 -13.852   0.016
  449    HB   VAL  65           HB       VAL  65   0.738 -15.620   1.471
  450   1HG1  VAL  65          1HG1      VAL  65   3.607 -15.656   2.233
  451   2HG1  VAL  65          2HG1      VAL  65   2.444 -15.932   3.552
  452   3HG1  VAL  65          3HG1      VAL  65   2.430 -16.986   2.118
  453   1HG2  VAL  65          1HG2      VAL  65   0.908 -13.032   2.228
  454   2HG2  VAL  65          2HG2      VAL  65   0.163 -14.302   3.228
  455   3HG2  VAL  65          3HG2      VAL  65   1.840 -13.793   3.540
  456    H    ASN  66           H        ASN  66   4.527 -14.186  -0.600
  457    HA   ASN  66           HA       ASN  66   5.395 -12.166   1.301
  458   1HB   ASN  66          1HB       ASN  66   7.048 -13.868  -0.639
  459   2HB   ASN  66          2HB       ASN  66   7.706 -12.774   0.561
  460   2HD2  ASN  66          2HD2      ASN  66   6.772 -13.138   2.836
  461   1HD2  ASN  66          1HD2      ASN  66   6.738 -14.774   3.404
  462    H    SER  67           H        SER  67   3.793 -12.214  -1.507
  463    HA   SER  67           HA       SER  67   5.510 -10.750  -3.209
  464   1HB   SER  67          1HB       SER  67   3.294 -10.365  -4.482
  465   2HB   SER  67          2HB       SER  67   3.846 -12.019  -4.316
  466    HG   SER  67           HG       SER  67   1.619 -11.923  -3.794
  467    H    TRP  68           H        TRP  68   5.659  -8.505  -3.504
  468    HA   TRP  68           HA       TRP  68   4.319  -6.915  -1.459
  469   1HB   TRP  68          1HB       TRP  68   6.604  -6.516  -1.417
  470   2HB   TRP  68          2HB       TRP  68   6.759  -6.557  -3.163
  471    HD1  TRP  68           HD1      TRP  68   6.929  -4.195  -4.272
  472    HE1  TRP  68           HE1      TRP  68   6.405  -1.682  -3.658
  473    HE3  TRP  68           HE3      TRP  68   4.729  -5.197   0.202
  474    HZ2  TRP  68           HZ2      TRP  68   5.158  -0.424  -1.421
  475    HZ3  TRP  68           HZ3      TRP  68   3.885  -3.269   1.538
  476    HH2  TRP  68           HH2      TRP  68   4.071  -0.949   0.794
  477    H    TYR  69           H        TYR  69   3.309  -8.160  -4.127
  478    HA   TYR  69           HA       TYR  69   2.192  -5.634  -5.251
  479   1HB   TYR  69          1HB       TYR  69   3.629  -6.630  -6.884
  480   2HB   TYR  69          2HB       TYR  69   2.966  -8.245  -6.578
  481    HD1  TYR  69           HD1      TYR  69   0.454  -8.607  -7.105
  482    HD2  TYR  69           HD2      TYR  69   2.756  -5.303  -8.599
  483    HE1  TYR  69           HE1      TYR  69  -1.207  -8.269  -8.915
  484    HE2  TYR  69           HE2      TYR  69   1.095  -4.964 -10.409
  485    HH   TYR  69           HH       TYR  69  -1.103  -5.504 -11.095
  486    H    LYS  70           H        LYS  70   1.543  -8.526  -3.493
  487    HA   LYS  70           HA       LYS  70  -1.200  -8.609  -4.492
  488   1HB   LYS  70          1HB       LYS  70   0.155 -10.712  -4.349
  489   2HB   LYS  70          2HB       LYS  70   0.217 -10.516  -2.609
  490   1HG   LYS  70          1HG       LYS  70  -2.385 -10.376  -2.706
  491   2HG   LYS  70          2HG       LYS  70  -2.240 -10.977  -4.346
  492   1HD   LYS  70          2HD       LYS  70  -2.475 -12.983  -3.166
  493   2HD   LYS  70          1HD       LYS  70  -0.729 -12.857  -3.251
  494   1HE   LYS  70          1HE       LYS  70  -1.530 -13.425  -0.945
  495   2HE   LYS  70          2HE       LYS  70  -0.619 -11.928  -0.982
  496   1HZ   LYS  70          1HZ       LYS  70  -3.503 -11.806  -1.315
  497   2HZ   LYS  70          2HZ       LYS  70  -2.897 -12.039   0.183
  498   3HZ   LYS  70          3HZ       LYS  70  -2.491 -10.703  -0.663
  499    H    VAL  71           H        VAL  71   0.763  -8.157  -1.496
  500    HA   VAL  71           HA       VAL  71  -1.432  -7.764   0.197
  501    HB   VAL  71           HB       VAL  71   0.261  -6.726   1.683
  502   1HG1  VAL  71          1HG1      VAL  71   0.811  -9.379   0.349
  503   2HG1  VAL  71          2HG1      VAL  71   1.804  -8.795   1.705
  504   3HG1  VAL  71          3HG1      VAL  71   0.057  -9.051   1.928
  505   1HG2  VAL  71          1HG2      VAL  71   1.577  -5.677  -0.210
  506   2HG2  VAL  71          2HG2      VAL  71   2.546  -6.488   1.044
  507   3HG2  VAL  71          3HG2      VAL  71   2.265  -7.289  -0.520
  508    H    VAL  72           H        VAL  72  -0.364  -5.952  -2.465
  509    HA   VAL  72           HA       VAL  72  -1.396  -3.464  -1.306
  510    HB   VAL  72           HB       VAL  72   0.305  -3.993  -3.750
  511   1HG1  VAL  72          1HG1      VAL  72  -1.434  -1.892  -3.430
  512   2HG1  VAL  72          2HG1      VAL  72   0.075  -1.228  -2.761
  513   3HG1  VAL  72          3HG1      VAL  72   0.042  -1.862  -4.424
  514   1HG2  VAL  72          1HG2      VAL  72   0.976  -2.739  -1.066
  515   2HG2  VAL  72          2HG2      VAL  72   1.547  -4.309  -1.680
  516   3HG2  VAL  72          3HG2      VAL  72   2.063  -2.802  -2.474
  517    H    HIS  73           H        HIS  73  -1.668  -5.784  -4.049
  518    HA   HIS  73           HA       HIS  73  -4.153  -4.425  -4.781
  519   1HB   HIS  73          2HB       HIS  73  -2.494  -6.353  -6.429
  520   2HB   HIS  73          1HB       HIS  73  -3.911  -5.473  -6.966
  521    HD1  HIS  73           HD1      HIS  73  -0.252  -5.016  -6.184
  522    HD2  HIS  73           HD2      HIS  73  -3.485  -2.753  -7.607
  523    HE1  HIS  73           HE1      HIS  73   0.738  -2.846  -7.089
  524    H    ASP  74           H        ASP  74  -3.955  -6.125  -2.435
  525    HA   ASP  74           HA       ASP  74  -5.174  -8.585  -3.334
  526   1HB   ASP  74          1HB       ASP  74  -3.704  -9.150  -1.630
  527   2HB   ASP  74          2HB       ASP  74  -3.858  -7.595  -0.836
  528    H    ALA  75           H        ALA  75  -7.420  -8.882  -3.178
  529    HA   ALA  75           HA       ALA  75  -8.900  -6.806  -1.714
  530   1HB   ALA  75          1HB       ALA  75  -9.780  -8.519  -4.073
  531   2HB   ALA  75          3HB       ALA  75  -9.203  -6.839  -4.190
  532   3HB   ALA  75          2HB       ALA  75 -10.708  -7.204  -3.311
  533    H    LYS  76           H        LYS  76  -7.624  -9.331  -0.658
  534    HA   LYS  76           HA       LYS  76 -10.109 -10.644   0.200
  535   1HB   LYS  76          1HB       LYS  76  -8.457 -11.961  -1.288
  536   2HB   LYS  76          2HB       LYS  76  -7.414 -12.000   0.120
  537   1HG   LYS  76          1HG       LYS  76  -9.542 -12.862   1.403
  538   2HG   LYS  76          2HG       LYS  76 -10.192 -13.190  -0.191
  539   1HD   LYS  76          1HD       LYS  76  -8.368 -14.707  -0.722
  540   2HD   LYS  76          2HD       LYS  76  -7.460 -14.214   0.694
  541   1HE   LYS  76          1HE       LYS  76  -8.399 -16.149   1.554
  542   2HE   LYS  76          2HE       LYS  76  -9.685 -15.034   1.974
  543   1HZ   LYS  76          1HZ       LYS  76  -9.802 -16.195  -0.666
  544   2HZ   LYS  76          2HZ       LYS  76 -10.101 -17.203   0.585
  545   3HZ   LYS  76          3HZ       LYS  76 -11.011 -15.862   0.380
  546    H    GLY  77           H        GLY  77 -10.173 -11.350   2.449
  547   1HA   GLY  77          2HA       GLY  77 -10.055 -10.066   4.502
  548   2HA   GLY  77          1HA       GLY  77  -8.375  -9.721   4.142
  549    H    GLY  78           H        GLY  78  -8.814 -10.787   6.592
  550   1HA   GLY  78          2HA       GLY  78  -8.030 -13.624   6.282
  551   2HA   GLY  78          1HA       GLY  78  -9.073 -13.047   7.567
  552    H    ALA  79           H        ALA  79  -7.708 -10.516   8.088
  553    HA   ALA  79           HA       ALA  79  -6.059 -11.084  10.088
  554   1HB   ALA  79          1HB       ALA  79  -3.747 -10.691   8.804
  555   2HB   ALA  79          3HB       ALA  79  -4.636 -11.474   7.476
  556   3HB   ALA  79          2HB       ALA  79  -4.425 -12.321   9.028
  557    H    LYS  80           H        LYS  80  -5.853  -9.168   7.007
  558    HA   LYS  80           HA       LYS  80  -6.545  -6.787   8.392
  559   1HB   LYS  80          1HB       LYS  80  -4.253  -5.716   7.591
  560   2HB   LYS  80          2HB       LYS  80  -4.443  -6.424   9.182
  561   1HG   LYS  80          1HG       LYS  80  -3.591  -8.632   8.206
  562   2HG   LYS  80          2HG       LYS  80  -3.231  -7.770   6.724
  563   1HD   LYS  80          2HD       LYS  80  -2.016  -7.306   9.479
  564   2HD   LYS  80          1HD       LYS  80  -1.190  -7.828   8.024
  565   1HE   LYS  80          1HE       LYS  80  -0.641  -5.537   8.111
  566   2HE   LYS  80          2HE       LYS  80  -1.994  -5.548   6.998
  567   1HZ   LYS  80          1HZ       LYS  80  -2.893  -5.354   9.656
  568   2HZ   LYS  80          2HZ       LYS  80  -1.821  -4.164   9.337
  569   3HZ   LYS  80          3HZ       LYS  80  -3.152  -4.335   8.406
  570    HA   PRO  81           HA       PRO  81  -7.676  -5.742   4.293
  571   1HB   PRO  81          1HB       PRO  81  -7.827  -3.015   4.466
  572   2HB   PRO  81          2HB       PRO  81  -8.924  -4.097   5.384
  573   1HG   PRO  81          1HG       PRO  81  -6.614  -2.695   6.193
  574   2HG   PRO  81          2HG       PRO  81  -8.075  -2.893   7.215
  575   1HD   PRO  81          1HD       PRO  81  -5.726  -4.349   7.556
  576   2HD   PRO  81          2HD       PRO  81  -7.342  -4.996   7.972
  577    H    THR  82           H        THR  82  -6.986  -3.641   2.625
  578    HA   THR  82           HA       THR  82  -4.063  -3.518   2.649
  579    HB   THR  82           HB       THR  82  -4.115  -4.200   0.198
  580    HG1  THR  82           HG1      THR  82  -6.318  -5.436  -0.114
  581   1HG2  THR  82          1HG2      THR  82  -4.214  -5.901   2.428
  582   2HG2  THR  82          2HG2      THR  82  -5.528  -6.510   1.392
  583   3HG2  THR  82          3HG2      THR  82  -3.867  -6.413   0.759
  584    H    CYS  83           H        CYS  83  -3.735  -2.270   0.161
  585    HA   CYS  83           HA       CYS  83  -4.630   0.335   0.889
  586   1HB   CYS  83          1HB       CYS  83  -3.258  -0.381  -1.692
  587   2HB   CYS  83          2HB       CYS  83  -3.235   1.141  -0.825
  588    H    ILE  84           H        ILE  84  -6.087  -2.298  -0.613
  589    HA   ILE  84           HA       ILE  84  -7.692  -0.563  -2.356
  590    HB   ILE  84           HB       ILE  84  -6.794  -3.406  -2.572
  591   1HG1  ILE  84          1HG1      ILE  84  -5.701  -1.354  -3.697
  592   2HG1  ILE  84          2HG1      ILE  84  -5.996  -2.788  -4.659
  593   1HG2  ILE  84          1HG2      ILE  84  -9.375  -2.271  -3.641
  594   2HG2  ILE  84          2HG2      ILE  84  -8.526  -3.608  -4.453
  595   3HG2  ILE  84          3HG2      ILE  84  -9.091  -3.800  -2.776
  596   1HD1  ILE  84          1HD1      ILE  84  -8.127  -0.644  -4.528
  597   2HD1  ILE  84          2HD1      ILE  84  -6.714  -0.421  -5.587
  598   3HD1  ILE  84          3HD1      ILE  84  -7.792  -1.817  -5.824
  599    H    SER  85           H        SER  85  -7.727  -3.217   0.084
  600    HA   SER  85           HA       SER  85 -10.414  -3.589   0.219
  601   1HB   SER  85          1HB       SER  85  -8.266  -4.582   1.552
  602   2HB   SER  85          2HB       SER  85  -8.906  -3.546   2.811
  603    HG   SER  85           HG       SER  85  -9.955  -5.924   1.727
  604    H    CYS  86           H        CYS  86  -8.439  -1.438   2.405
  605    HA   CYS  86           HA       CYS  86 -10.631  -0.249   3.612
  606   1HB   CYS  86          1HB       CYS  86  -8.242  -0.215   4.424
  607   2HB   CYS  86          2HB       CYS  86  -7.899   1.010   3.219
  608    H    HIS  87           H        HIS  87  -8.457   0.942   0.940
  609    HA   HIS  87           HA       HIS  87  -9.696   3.280   0.388
  610   1HB   HIS  87          1HB       HIS  87  -8.213   1.280  -1.279
  611   2HB   HIS  87          2HB       HIS  87  -8.989   2.630  -2.083
  612    HD1  HIS  87           HD1      HIS  87  -6.723   3.715  -2.737
  613    HD2  HIS  87           HD2      HIS  87  -7.266   3.249   1.396
  614    HE1  HIS  87           HE1      HIS  87  -4.886   5.085  -1.615
  615    H    LYS  88           H        LYS  88 -10.717  -0.037  -0.518
  616    HA   LYS  88           HA       LYS  88 -12.712   0.698  -2.321
  617   1HB   LYS  88          1HB       LYS  88 -11.929  -1.712  -0.796
  618   2HB   LYS  88          2HB       LYS  88 -13.621  -1.642  -1.244
  619   1HG   LYS  88          1HG       LYS  88 -13.007  -1.250  -3.617
  620   2HG   LYS  88          2HG       LYS  88 -11.307  -1.222  -3.194
  621   1HD   LYS  88          2HD       LYS  88 -11.597  -3.440  -3.935
  622   2HD   LYS  88          1HD       LYS  88 -11.727  -3.612  -2.196
  623   1HE   LYS  88          1HE       LYS  88 -14.334  -3.161  -2.691
  624   2HE   LYS  88          2HE       LYS  88 -13.901  -3.747  -4.285
  625   1HZ   LYS  88          1HZ       LYS  88 -13.311  -5.185  -1.792
  626   2HZ   LYS  88          2HZ       LYS  88 -14.588  -5.500  -2.759
  627   3HZ   LYS  88          3HZ       LYS  88 -13.069  -5.739  -3.309
  628    H    ASP  89           H        ASP  89 -12.761   0.216   1.261
  629    HA   ASP  89           HA       ASP  89 -15.449   0.507   1.609
  630   1HB   ASP  89          1HB       ASP  89 -13.394   0.063   3.269
  631   2HB   ASP  89          2HB       ASP  89 -13.515   1.788   3.550
  632    H    LYS  90           H        LYS  90 -12.798   2.942   1.315
  633    HA   LYS  90           HA       LYS  90 -14.314   5.190   1.998
  634   1HB   LYS  90          1HB       LYS  90 -11.685   4.619   0.764
  635   2HB   LYS  90          2HB       LYS  90 -12.385   6.165   0.331
  636   1HG   LYS  90          1HG       LYS  90 -11.932   5.129   3.169
  637   2HG   LYS  90          2HG       LYS  90 -11.009   6.388   2.371
  638   1HD   LYS  90          1HD       LYS  90 -13.507   7.435   2.067
  639   2HD   LYS  90          2HD       LYS  90 -13.778   6.500   3.524
  640   1HE   LYS  90          1HE       LYS  90 -11.826   7.622   4.615
  641   2HE   LYS  90          2HE       LYS  90 -11.539   8.548   3.155
  642   1HZ   LYS  90          1HZ       LYS  90 -14.180   8.640   4.367
  643   2HZ   LYS  90          2HZ       LYS  90 -12.974   9.509   5.044
  644   3HZ   LYS  90          3HZ       LYS  90 -13.405   9.781   3.492
  645    H    ALA  91           H        ALA  91 -13.788   3.437  -1.094
  646    HA   ALA  91           HA       ALA  91 -15.470   5.376  -2.464
  647   1HB   ALA  91          1HB       ALA  91 -14.669   3.113  -4.070
  648   2HB   ALA  91          2HB       ALA  91 -13.265   3.722  -3.161
  649   3HB   ALA  91          3HB       ALA  91 -14.185   4.819  -4.219
  650    H    GLY  92           H        GLY  92 -16.396   3.453  -0.259
  651   1HA   GLY  92          2HA       GLY  92 -17.954   1.805   0.054
  652   2HA   GLY  92          1HA       GLY  92 -18.079   1.565  -1.677
  653    H    ASP  93           H        ASP  93 -18.951   3.719  -2.881
  654    HA   ASP  93           HA       ASP  93 -21.549   3.939  -2.341
  655   1HB   ASP  93          1HB       ASP  93 -21.622   6.331  -1.308
  656   2HB   ASP  93          2HB       ASP  93 -21.355   4.976  -0.229
  657    H    ASP  94           H        ASP  94 -18.807   6.323  -2.713
  658    HA   ASP  94           HA       ASP  94 -20.133   7.534  -4.928
  659   1HB   ASP  94          1HB       ASP  94 -18.797   8.882  -3.338
  660   2HB   ASP  94          2HB       ASP  94 -17.364   7.943  -3.705
  661    H    LYS  95           H        LYS  95 -19.796   6.927  -7.081
  662    HA   LYS  95           HA       LYS  95 -18.039   4.754  -7.632
  663   1HB   LYS  95          1HB       LYS  95 -19.850   6.472  -9.343
  664   2HB   LYS  95          2HB       LYS  95 -18.852   5.194 -10.008
  665   1HG   LYS  95          1HG       LYS  95 -20.233   3.557  -9.223
  666   2HG   LYS  95          2HG       LYS  95 -20.328   4.282  -7.631
  667   1HD   LYS  95          1HD       LYS  95 -21.780   5.766  -9.779
  668   2HD   LYS  95          2HD       LYS  95 -22.426   4.179  -9.411
  669   1HE   LYS  95          1HE       LYS  95 -23.186   4.823  -7.341
  670   2HE   LYS  95          2HE       LYS  95 -21.746   5.759  -6.992
  671   1HZ   LYS  95          1HZ       LYS  95 -23.526   6.781  -9.031
  672   2HZ   LYS  95          2HZ       LYS  95 -24.029   6.884  -7.481
  673   3HZ   LYS  95          3HZ       LYS  95 -22.629   7.591  -7.933
  674    H    GLU  96           H        GLU  96 -18.058   8.306  -8.215
  675    HA   GLU  96           HA       GLU  96 -15.797   8.293  -9.836
  676   1HB   GLU  96          1HB       GLU  96 -17.425  10.175  -9.679
  677   2HB   GLU  96          2HB       GLU  96 -16.887  10.509  -8.045
  678   1HG   GLU  96          1HG       GLU  96 -14.477  10.643  -9.177
  679   2HG   GLU  96          2HG       GLU  96 -15.394  10.904 -10.648
  680    H    LEU  97           H        LEU  97 -16.269   8.089  -6.343
  681    HA   LEU  97           HA       LEU  97 -13.640   8.933  -5.658
  682   1HB   LEU  97          1HB       LEU  97 -15.759   8.981  -4.241
  683   2HB   LEU  97          2HB       LEU  97 -15.516   7.263  -3.994
  684    HG   LEU  97           HG       LEU  97 -14.655   8.482  -2.105
  685   1HD1  LEU  97          1HD1      LEU  97 -13.354   6.488  -3.307
  686   2HD1  LEU  97          2HD1      LEU  97 -12.094   7.739  -3.432
  687   3HD1  LEU  97          3HD1      LEU  97 -12.741   7.284  -1.837
  688   1HD2  LEU  97          1HD2      LEU  97 -13.722  10.326  -4.116
  689   2HD2  LEU  97          2HD2      LEU  97 -13.866  10.540  -2.355
  690   3HD2  LEU  97          3HD2      LEU  97 -12.382   9.845  -3.048
  691    H    LYS  98           H        LYS  98 -15.074   6.022  -6.937
  692    HA   LYS  98           HA       LYS  98 -12.943   4.341  -5.948
  693   1HB   LYS  98          1HB       LYS  98 -15.390   3.653  -6.220
  694   2HB   LYS  98          2HB       LYS  98 -15.094   3.619  -7.946
  695   1HG   LYS  98          1HG       LYS  98 -13.327   1.941  -7.679
  696   2HG   LYS  98          2HG       LYS  98 -13.395   2.077  -5.933
  697   1HD   LYS  98          2HD       LYS  98 -14.641   0.094  -6.517
  698   2HD   LYS  98          1HD       LYS  98 -15.818   1.299  -6.033
  699   1HE   LYS  98          1HE       LYS  98 -16.716   0.378  -8.039
  700   2HE   LYS  98          2HE       LYS  98 -16.023   1.906  -8.543
  701   1HZ   LYS  98          1HZ       LYS  98 -13.974   0.160  -8.751
  702   2HZ   LYS  98          2HZ       LYS  98 -15.252  -0.721  -9.258
  703   3HZ   LYS  98          3HZ       LYS  98 -14.898   0.696  -9.987
  704    H    LYS  99           H        LYS  99 -12.632   6.801  -7.846
  705    HA   LYS  99           HA       LYS  99 -11.027   5.333  -9.816
  706   1HB   LYS  99          1HB       LYS  99 -13.094   7.433 -10.245
  707   2HB   LYS  99          2HB       LYS  99 -11.627   7.570 -11.193
  708   1HG   LYS  99          2HG       LYS  99 -12.589   6.062 -12.605
  709   2HG   LYS  99          1HG       LYS  99 -12.168   4.856 -11.405
  710   1HD   LYS  99          1HD       LYS  99 -14.518   5.820 -10.339
  711   2HD   LYS  99          2HD       LYS  99 -14.831   6.044 -12.048
  712   1HE   LYS  99          1HE       LYS  99 -13.619   3.410 -11.327
  713   2HE   LYS  99          2HE       LYS  99 -15.234   3.676 -10.701
  714   1HZ   LYS  99          1HZ       LYS  99 -15.836   4.342 -13.008
  715   2HZ   LYS  99          2HZ       LYS  99 -14.382   3.785 -13.503
  716   3HZ   LYS  99          3HZ       LYS  99 -15.460   2.763 -12.824
  717    H    LYS 100           H        LYS 100 -10.014   6.028  -7.325
  718    HA   LYS 100           HA       LYS 100  -7.914   7.768  -8.116
  719   1HB   LYS 100          1HB       LYS 100  -8.534   9.213  -5.907
  720   2HB   LYS 100          2HB       LYS 100  -8.917   9.696  -7.547
  721   1HG   LYS 100          1HG       LYS 100 -11.178   8.869  -7.378
  722   2HG   LYS 100          2HG       LYS 100 -10.823   7.971  -5.915
  723   1HD   LYS 100          2HD       LYS 100 -11.905   9.869  -5.052
  724   2HD   LYS 100          1HD       LYS 100 -10.220  10.321  -4.888
  725   1HE   LYS 100          1HE       LYS 100 -11.992  11.093  -7.256
  726   2HE   LYS 100          2HE       LYS 100 -11.642  12.142  -5.897
  727   1HZ   LYS 100          1HZ       LYS 100  -9.205  11.400  -6.632
  728   2HZ   LYS 100          2HZ       LYS 100  -9.954  11.391  -8.083
  729   3HZ   LYS 100          3HZ       LYS 100  -9.945  12.750  -7.179
  730    H    LEU 101           H        LEU 101  -9.715   6.248  -5.369
  731    HA   LEU 101           HA       LEU 101  -7.192   5.691  -4.059
  732   1HB   LEU 101          1HB       LEU 101  -9.962   4.908  -3.169
  733   2HB   LEU 101          2HB       LEU 101  -8.503   5.002  -2.202
  734    HG   LEU 101           HG       LEU 101 -10.187   7.254  -3.289
  735   1HD1  LEU 101          1HD1      LEU 101 -10.351   5.965  -0.935
  736   2HD1  LEU 101          2HD1      LEU 101  -9.152   7.210  -0.508
  737   3HD1  LEU 101          3HD1      LEU 101 -10.745   7.689  -1.142
  738   1HD2  LEU 101          1HD2      LEU 101  -7.278   7.261  -2.764
  739   2HD2  LEU 101          2HD2      LEU 101  -8.275   8.337  -3.772
  740   3HD2  LEU 101          3HD2      LEU 101  -8.202   8.583  -2.010
  741    H    THR 102           H        THR 102  -9.683   4.127  -6.043
  742    HA   THR 102           HA       THR 102  -8.107   1.643  -5.868
  743    HB   THR 102           HB       THR 102 -10.193   0.405  -5.963
  744    HG1  THR 102           HG1      THR 102 -11.356   1.725  -7.446
  745   1HG2  THR 102          1HG2      THR 102  -9.716   1.615  -3.712
  746   2HG2  THR 102          2HG2      THR 102 -10.908   2.825  -4.242
  747   3HG2  THR 102          3HG2      THR 102 -11.403   1.131  -4.005
  748    H    GLY 103           H        GLY 103  -8.432   4.255  -7.708
  749   1HA   GLY 103          2HA       GLY 103  -8.274   4.701  -9.906
  750   2HA   GLY 103          1HA       GLY 103  -9.266   3.291 -10.223
  751    H    CYS 104           H        CYS 104  -8.253   2.017 -11.716
  752    HA   CYS 104           HA       CYS 104  -5.791   0.819 -11.058
  753   1HB   CYS 104          1HB       CYS 104  -7.838   0.562 -13.123
  754   2HB   CYS 104          2HB       CYS 104  -6.220   0.332 -13.757
  755    H    LYS 105           H        LYS 105  -6.839   3.077 -13.722
  756    HA   LYS 105           HA       LYS 105  -4.062   4.035 -13.799
  757   1HB   LYS 105          1HB       LYS 105  -4.385   4.432 -16.213
  758   2HB   LYS 105          2HB       LYS 105  -4.490   2.736 -15.787
  759   1HG   LYS 105          1HG       LYS 105  -6.836   2.661 -16.089
  760   2HG   LYS 105          2HG       LYS 105  -7.025   4.389 -15.866
  761   1HD   LYS 105          1HD       LYS 105  -6.083   4.872 -18.045
  762   2HD   LYS 105          2HD       LYS 105  -5.502   3.230 -18.237
  763   1HE   LYS 105          1HE       LYS 105  -8.466   3.906 -17.962
  764   2HE   LYS 105          2HE       LYS 105  -7.656   3.818 -19.514
  765   1HZ   LYS 105          1HZ       LYS 105  -6.904   1.534 -18.578
  766   2HZ   LYS 105          2HZ       LYS 105  -8.232   1.682 -17.640
  767   3HZ   LYS 105          3HZ       LYS 105  -8.375   1.702 -19.266
  768    H    GLY 106           H        GLY 106  -3.741   6.261 -13.796
  769   1HA   GLY 106          2HA       GLY 106  -5.871   8.104 -14.260
  770   2HA   GLY 106          1HA       GLY 106  -4.259   8.457 -13.670
  771    H    SER 107           H        SER 107  -4.257   6.686 -11.357
  772    HA   SER 107           HA       SER 107  -6.381   7.930  -9.793
  773   1HB   SER 107          2HB       SER 107  -6.289   6.037  -8.293
  774   2HB   SER 107          1HB       SER 107  -6.393   5.409  -9.926
  775    HG   SER 107           HG       SER 107  -4.759   4.226  -8.990
  776    H    ALA 108           H        ALA 108  -5.514   7.824  -7.244
  777    HA   ALA 108           HA       ALA 108  -3.352   9.689  -7.236
  778   1HB   ALA 108          1HB       ALA 108  -4.292  10.267  -5.272
  779   2HB   ALA 108          3HB       ALA 108  -5.551   9.055  -5.610
  780   3HB   ALA 108          2HB       ALA 108  -4.129   8.612  -4.635
  781    H    CYS 109           H        CYS 109  -3.440   6.371  -7.611
  782    HA   CYS 109           HA       CYS 109  -1.023   5.983  -6.015
  783   1HB   CYS 109          1HB       CYS 109  -2.999   3.991  -7.164
  784   2HB   CYS 109          2HB       CYS 109  -1.466   3.527  -6.453
  785    H    HIS 110           H        HIS 110  -2.545   5.447  -9.265
  786    HA   HIS 110           HA       HIS 110   0.172   5.381 -10.363
  787   1HB   HIS 110          1HB       HIS 110  -2.309   3.965 -11.379
  788   2HB   HIS 110          2HB       HIS 110  -0.757   3.989 -12.193
  789    HD1  HIS 110           HD1      HIS 110   1.260   3.269 -10.118
  790    HD2  HIS 110           HD2      HIS 110  -2.560   1.537 -10.180
  791    HE1  HIS 110           HE1      HIS 110   1.451   1.070  -8.837
  792    HA   PRO 111           HA       PRO 111  -1.807   9.034 -12.192
  793   1HB   PRO 111          1HB       PRO 111  -0.104  10.931 -11.341
  794   2HB   PRO 111          2HB       PRO 111  -1.232  10.152 -10.184
  795   1HG   PRO 111          2HG       PRO 111   1.463   9.545 -10.932
  796   2HG   PRO 111          1HG       PRO 111   1.239   9.525  -9.152
  797   1HD   PRO 111          1HD       PRO 111   1.381   7.209 -10.539
  798   2HD   PRO 111          2HD       PRO 111   0.149   7.390  -9.254
  799    H    SER 112           H        SER 112  -0.929   7.532 -14.098
  800    HA   SER 112           HA       SER 112   1.320   8.997 -15.227
  801   1HB   SER 112          1HB       SER 112   1.304   6.247 -14.494
  802   2HB   SER 112          2HB       SER 112   1.183   6.268 -16.242
  803    HG   SER 112           HG       SER 112   3.040   7.926 -16.062

  No H/Q in entry =         803
  Start of MODEL   15
    1    H1   VAL   1           H1       VAL   1   9.254   9.561  17.433
    2    H2   VAL   1           H2       VAL   1   8.647   8.046  17.150
    3    H3   VAL   1           H3       VAL   1  10.057   8.227  17.998
    4    HA   VAL   1           HA       VAL   1  11.296   8.713  16.240
    5    HB   VAL   1           HB       VAL   1  10.692   6.437  16.058
    6   1HG1  VAL   1          1HG1      VAL   1   8.247   6.728  16.338
    7   2HG1  VAL   1          2HG1      VAL   1   8.137   7.280  14.649
    8   3HG1  VAL   1          3HG1      VAL   1   8.655   5.616  15.010
    9   1HG2  VAL   1          1HG2      VAL   1  11.613   7.782  13.971
   10   2HG2  VAL   1          2HG2      VAL   1  11.188   6.058  13.844
   11   3HG2  VAL   1          3HG2      VAL   1  10.055   7.300  13.259
   12    H    ASP   2           H        ASP   2   8.179  10.054  16.288
   13    HA   ASP   2           HA       ASP   2   7.192  11.625  15.168
   14   1HB   ASP   2          1HB       ASP   2   9.879  12.349  15.183
   15   2HB   ASP   2          2HB       ASP   2   9.497  12.440  13.476
   16    H    VAL   3           H        VAL   3   5.749  10.943  13.575
   17    HA   VAL   3           HA       VAL   3   6.357   9.146  11.575
   18    HB   VAL   3           HB       VAL   3   4.122  10.109  12.599
   19   1HG1  VAL   3          1HG1      VAL   3   4.436  11.707  10.036
   20   2HG1  VAL   3          2HG1      VAL   3   2.921  11.527  10.954
   21   3HG1  VAL   3          3HG1      VAL   3   4.315  12.355  11.689
   22   1HG2  VAL   3          1HG2      VAL   3   4.523   8.977   9.819
   23   2HG2  VAL   3          2HG2      VAL   3   4.106   8.112  11.318
   24   3HG2  VAL   3          3HG2      VAL   3   2.915   9.191  10.552
   25    HA   PRO   4           HA       PRO   4   9.105  11.273   8.878
   26   1HB   PRO   4          1HB       PRO   4   7.579   9.538   6.905
   27   2HB   PRO   4          2HB       PRO   4   9.342   9.799   7.109
   28   1HG   PRO   4          1HG       PRO   4   8.316   7.553   8.201
   29   2HG   PRO   4          2HG       PRO   4   9.631   8.501   8.970
   30   1HD   PRO   4          2HD       PRO   4   6.683   8.315   9.646
   31   2HD   PRO   4          1HD       PRO   4   8.078   8.602  10.730
   32    H    ALA   5           H        ALA   5   8.908  12.723   6.900
   33    HA   ALA   5           HA       ALA   5   6.374  14.116   7.045
   34   1HB   ALA   5          1HB       ALA   5   7.588  15.931   6.415
   35   2HB   ALA   5          2HB       ALA   5   8.469  15.029   5.158
   36   3HB   ALA   5          3HB       ALA   5   8.989  14.926   6.857
   37    H    ASP   6           H        ASP   6   5.111  14.646   5.122
   38    HA   ASP   6           HA       ASP   6   4.540  12.468   3.599
   39   1HB   ASP   6          2HB       ASP   6   3.028  13.863   2.462
   40   2HB   ASP   6          1HB       ASP   6   3.262  14.726   3.969
   41    H    GLY   7           H        GLY   7   4.441  13.329   0.866
   42   1HA   GLY   7          2HA       GLY   7   6.928  14.321  -0.079
   43   2HA   GLY   7          1HA       GLY   7   5.659  13.559  -1.016
   44    H    ALA   8           H        ALA   8   5.592  11.059   0.604
   45    HA   ALA   8           HA       ALA   8   8.267   9.984   0.281
   46   1HB   ALA   8          1HB       ALA   8   5.658   8.945   1.439
   47   2HB   ALA   8          2HB       ALA   8   7.152   9.373   2.306
   48   3HB   ALA   8          3HB       ALA   8   7.109   7.929   1.266
   49    H    LYS   9           H        LYS   9   8.887   8.528  -1.307
   50    HA   LYS   9           HA       LYS   9   6.813   7.919  -3.300
   51   1HB   LYS   9          1HB       LYS   9   9.738   8.602  -3.704
   52   2HB   LYS   9          2HB       LYS   9   8.710   7.939  -4.958
   53   1HG   LYS   9          1HG       LYS   9   7.348   9.870  -5.060
   54   2HG   LYS   9          2HG       LYS   9   7.769  10.381  -3.438
   55   1HD   LYS   9          1HD       LYS   9  10.160  10.770  -4.285
   56   2HD   LYS   9          2HD       LYS   9   9.560  10.479  -5.906
   57   1HE   LYS   9          1HE       LYS   9   7.774  12.324  -5.353
   58   2HE   LYS   9          2HE       LYS   9   8.824  12.742  -4.014
   59   1HZ   LYS   9          1HZ       LYS   9   9.837  12.521  -6.753
   60   2HZ   LYS   9          2HZ       LYS   9   9.225  13.916  -6.166
   61   3HZ   LYS   9          3HZ       LYS   9  10.546  13.250  -5.476
   62    H    ILE  10           H        ILE  10   6.576   5.796  -3.929
   63    HA   ILE  10           HA       ILE  10   8.411   3.913  -2.617
   64    HB   ILE  10           HB       ILE  10   5.509   3.511  -3.349
   65   1HG1  ILE  10          1HG1      ILE  10   6.525   3.693  -0.530
   66   2HG1  ILE  10          2HG1      ILE  10   6.194   5.166  -1.419
   67   1HG2  ILE  10          1HG2      ILE  10   7.617   1.670  -2.722
   68   2HG2  ILE  10          2HG2      ILE  10   6.407   1.652  -1.416
   69   3HG2  ILE  10          3HG2      ILE  10   5.907   1.346  -3.097
   70   1HD1  ILE  10          1HD1      ILE  10   3.896   4.069  -2.007
   71   2HD1  ILE  10          2HD1      ILE  10   4.269   2.940  -0.683
   72   3HD1  ILE  10          3HD1      ILE  10   4.133   4.684  -0.354
   73    H    ASP  11           H        ASP  11   9.658   2.684  -3.925
   74    HA   ASP  11           HA       ASP  11   8.637   1.936  -6.484
   75   1HB   ASP  11          1HB       ASP  11   9.604   4.002  -7.204
   76   2HB   ASP  11          2HB       ASP  11  10.979   3.834  -6.131
   77    H    PHE  12           H        PHE  12   8.907  -0.236  -5.640
   78    HA   PHE  12           HA       PHE  12  11.694  -0.972  -5.081
   79   1HB   PHE  12          2HB       PHE  12   9.021  -2.257  -4.254
   80   2HB   PHE  12          1HB       PHE  12  10.599  -2.824  -3.745
   81    HD1  PHE  12           HD1      PHE  12  11.870  -0.142  -3.172
   82    HD2  PHE  12           HD2      PHE  12   8.056  -1.717  -2.181
   83    HE1  PHE  12           HE1      PHE  12  11.767   1.367  -1.169
   84    HE2  PHE  12           HE2      PHE  12   7.953  -0.207  -0.179
   85    HZ   PHE  12           HZ       PHE  12   9.810   1.317   0.304
   86    H    ILE  13           H        ILE  13   8.809  -1.494  -7.039
   87    HA   ILE  13           HA       ILE  13  10.014  -3.895  -8.194
   88    HB   ILE  13           HB       ILE  13   7.237  -2.731  -8.413
   89   1HG1  ILE  13          1HG1      ILE  13   8.121  -5.299  -7.075
   90   2HG1  ILE  13          2HG1      ILE  13   7.941  -3.783  -6.214
   91   1HG2  ILE  13          1HG2      ILE  13   8.225  -3.992 -10.453
   92   2HG2  ILE  13          2HG2      ILE  13   8.040  -5.441  -9.437
   93   3HG2  ILE  13          3HG2      ILE  13   6.618  -4.450  -9.840
   94   1HD1  ILE  13          1HD1      ILE  13   5.703  -4.974  -7.906
   95   2HD1  ILE  13          2HD1      ILE  13   5.899  -5.323  -6.171
   96   3HD1  ILE  13          3HD1      ILE  13   5.583  -3.657  -6.714
   97    H    ALA  14           H        ALA  14  11.725  -2.867  -9.351
   98    HA   ALA  14           HA       ALA  14  11.313  -0.663 -11.027
   99   1HB   ALA  14          1HB       ALA  14  13.528  -1.168 -10.340
  100   2HB   ALA  14          2HB       ALA  14  13.488  -1.564 -12.075
  101   3HB   ALA  14          3HB       ALA  14  13.393  -2.864 -10.863
  102    H    GLY  15           H        GLY  15  11.876  -0.950 -13.541
  103   1HA   GLY  15          2HA       GLY  15   9.873  -1.605 -15.025
  104   2HA   GLY  15          1HA       GLY  15  10.372  -3.236 -14.623
  105    H    GLY  16           H        GLY  16  11.988  -0.122 -15.609
  106   1HA   GLY  16          2HA       GLY  16  13.153  -1.467 -17.913
  107   2HA   GLY  16          1HA       GLY  16  14.281  -0.936 -16.682
  108    H    GLU  17           H        GLU  17  11.684   0.163 -18.920
  109    HA   GLU  17           HA       GLU  17  13.122   2.446 -19.593
  110   1HB   GLU  17          1HB       GLU  17  10.571   1.182 -20.313
  111   2HB   GLU  17          2HB       GLU  17  10.446   2.930 -20.318
  112   1HG   GLU  17          2HG       GLU  17  12.465   1.236 -21.857
  113   2HG   GLU  17          1HG       GLU  17  11.162   2.191 -22.535
  114    H    LYS  18           H        LYS  18  10.243   1.911 -17.464
  115    HA   LYS  18           HA       LYS  18  10.922   4.404 -16.116
  116   1HB   LYS  18          1HB       LYS  18   8.722   4.146 -17.916
  117   2HB   LYS  18          2HB       LYS  18   8.067   4.242 -16.294
  118   1HG   LYS  18          1HG       LYS  18   9.448   6.285 -15.858
  119   2HG   LYS  18          2HG       LYS  18  10.102   6.190 -17.481
  120   1HD   LYS  18          1HD       LYS  18   7.608   6.248 -18.279
  121   2HD   LYS  18          2HD       LYS  18   7.236   6.778 -16.651
  122   1HE   LYS  18          1HE       LYS  18   9.462   8.358 -17.506
  123   2HE   LYS  18          2HE       LYS  18   8.349   8.316 -18.859
  124   1HZ   LYS  18          1HZ       LYS  18   7.300   8.809 -16.191
  125   2HZ   LYS  18          2HZ       LYS  18   8.039  10.028 -16.989
  126   3HZ   LYS  18          3HZ       LYS  18   6.722   9.308 -17.635
  127    H    ASN  19           H        ASN  19   8.565   4.310 -14.413
  128    HA   ASN  19           HA       ASN  19   8.333   1.729 -13.340
  129   1HB   ASN  19          2HB       ASN  19   9.587   1.938 -11.301
  130   2HB   ASN  19          1HB       ASN  19  10.684   2.491 -12.551
  131   2HD2  ASN  19          2HD2      ASN  19  10.246   4.932 -13.123
  132   1HD2  ASN  19          1HD2      ASN  19  10.251   6.015 -11.771
  133    H    LEU  20           H        LEU  20   6.401   1.731 -12.114
  134    HA   LEU  20           HA       LEU  20   4.979   4.199 -11.951
  135   1HB   LEU  20          1HB       LEU  20   4.359   1.373 -11.098
  136   2HB   LEU  20          2HB       LEU  20   3.253   2.711 -10.857
  137    HG   LEU  20           HG       LEU  20   4.219   1.560 -13.481
  138   1HD1  LEU  20          1HD1      LEU  20   1.517   1.730 -12.131
  139   2HD1  LEU  20          2HD1      LEU  20   1.740   1.292 -13.842
  140   3HD1  LEU  20          3HD1      LEU  20   2.445   0.273 -12.563
  141   1HD2  LEU  20          1HD2      LEU  20   3.214   4.263 -12.883
  142   2HD2  LEU  20          2HD2      LEU  20   4.125   3.651 -14.285
  143   3HD2  LEU  20          3HD2      LEU  20   2.361   3.424 -14.201
  144    H    THR  21           H        THR  21   6.002   5.632 -10.549
  145    HA   THR  21           HA       THR  21   6.657   4.676  -7.877
  146    HB   THR  21           HB       THR  21   6.974   7.531  -8.827
  147    HG1  THR  21           HG1      THR  21   8.511   5.142  -9.577
  148   1HG2  THR  21          1HG2      THR  21   8.289   5.617  -6.944
  149   2HG2  THR  21          2HG2      THR  21   9.409   6.602  -7.915
  150   3HG2  THR  21          3HG2      THR  21   8.204   7.393  -6.871
  151    H    VAL  22           H        VAL  22   5.098   4.543  -6.394
  152    HA   VAL  22           HA       VAL  22   2.825   6.337  -6.644
  153    HB   VAL  22           HB       VAL  22   3.412   3.889  -4.978
  154   1HG1  VAL  22          1HG1      VAL  22   1.042   5.772  -4.877
  155   2HG1  VAL  22          2HG1      VAL  22   0.964   4.089  -4.304
  156   3HG1  VAL  22          3HG1      VAL  22   2.090   5.237  -3.540
  157   1HG2  VAL  22          1HG2      VAL  22   2.007   4.439  -7.520
  158   2HG2  VAL  22          2HG2      VAL  22   2.763   2.943  -6.922
  159   3HG2  VAL  22          3HG2      VAL  22   1.127   3.389  -6.383
  160    H    VAL  23           H        VAL  23   2.325   7.960  -5.178
  161    HA   VAL  23           HA       VAL  23   4.457   8.533  -3.252
  162    HB   VAL  23           HB       VAL  23   2.364  10.292  -4.543
  163   1HG1  VAL  23          1HG1      VAL  23   3.950  10.669  -2.139
  164   2HG1  VAL  23          2HG1      VAL  23   4.341  11.896  -3.368
  165   3HG1  VAL  23          3HG1      VAL  23   2.659  11.686  -2.823
  166   1HG2  VAL  23          1HG2      VAL  23   5.340   9.951  -4.986
  167   2HG2  VAL  23          2HG2      VAL  23   4.018   9.780  -6.165
  168   3HG2  VAL  23          3HG2      VAL  23   4.441  11.388  -5.530
  169    H    PHE  24           H        PHE  24   4.042   8.622  -1.068
  170    HA   PHE  24           HA       PHE  24   1.234   8.231  -0.304
  171   1HB   PHE  24          1HB       PHE  24   2.899   6.228  -0.135
  172   2HB   PHE  24          2HB       PHE  24   3.777   7.166   1.056
  173    HD1  PHE  24           HD1      PHE  24   0.235   6.141   0.419
  174    HD2  PHE  24           HD2      PHE  24   3.352   6.652   3.253
  175    HE1  PHE  24           HE1      PHE  24  -1.261   5.249   2.226
  176    HE2  PHE  24           HE2      PHE  24   1.855   5.760   5.060
  177    HZ   PHE  24           HZ       PHE  24  -0.433   5.069   4.524
  178    H    ASN  25           H        ASN  25   0.924   8.765   2.146
  179    HA   ASN  25           HA       ASN  25   2.761  10.773   3.059
  180   1HB   ASN  25          1HB       ASN  25  -0.004  11.762   3.316
  181   2HB   ASN  25          2HB       ASN  25   1.417  12.607   2.736
  182   2HD2  ASN  25          2HD2      ASN  25  -1.462  10.974   1.934
  183   1HD2  ASN  25          1HD2      ASN  25  -1.362  11.047   0.207
  184    H    HIS  26           H        HIS  26   2.934  10.481   5.297
  185    HA   HIS  26           HA       HIS  26   1.174   8.621   6.548
  186   1HB   HIS  26          1HB       HIS  26   3.697  10.041   7.230
  187   2HB   HIS  26          2HB       HIS  26   2.691   9.549   8.577
  188    HD1  HIS  26           HD1      HIS  26   4.621   8.101   5.645
  189    HD2  HIS  26           HD2      HIS  26   2.696   6.817   9.144
  190    HE1  HIS  26           HE1      HIS  26   5.252   5.647   5.949
  191    H    SER  27           H        SER  27   1.202  12.034   6.000
  192    HA   SER  27           HA       SER  27  -0.312  12.594   8.375
  193   1HB   SER  27          1HB       SER  27  -0.285  14.930   7.555
  194   2HB   SER  27          2HB       SER  27   1.329  14.248   7.578
  195    HG   SER  27           HG       SER  27   1.135  13.841   5.275
  196    H    THR  28           H        THR  28  -1.182  10.791   5.957
  197    HA   THR  28           HA       THR  28  -3.710  12.206   5.413
  198    HB   THR  28           HB       THR  28  -2.202  10.122   3.746
  199    HG1  THR  28           HG1      THR  28  -2.671  13.016   3.681
  200   1HG2  THR  28          1HG2      THR  28  -4.927  11.256   3.602
  201   2HG2  THR  28          2HG2      THR  28  -3.969  11.615   2.145
  202   3HG2  THR  28          3HG2      THR  28  -4.213   9.927   2.657
  203    H    HIS  29           H        HIS  29  -2.116   9.241   6.547
  204    HA   HIS  29           HA       HIS  29  -4.779   8.128   7.029
  205   1HB   HIS  29          2HB       HIS  29  -2.093   6.725   6.968
  206   2HB   HIS  29          1HB       HIS  29  -3.648   5.959   7.224
  207    HD1  HIS  29           HD1      HIS  29  -1.760   7.890   4.521
  208    HD2  HIS  29           HD2      HIS  29  -4.969   5.219   4.919
  209    HE1  HIS  29           HE1      HIS  29  -2.454   7.247   2.151
  210    H    LYS  30           H        LYS  30  -3.275  10.295   8.568
  211    HA   LYS  30           HA       LYS  30  -2.219   9.258  10.908
  212   1HB   LYS  30          1HB       LYS  30  -2.513  11.471  11.810
  213   2HB   LYS  30          2HB       LYS  30  -2.007  11.599  10.137
  214   1HG   LYS  30          1HG       LYS  30  -4.497  11.811   9.518
  215   2HG   LYS  30          2HG       LYS  30  -4.831  11.955  11.233
  216   1HD   LYS  30          1HD       LYS  30  -2.648  13.742  10.328
  217   2HD   LYS  30          2HD       LYS  30  -4.171  14.061   9.521
  218   1HE   LYS  30          1HE       LYS  30  -4.811  13.659  12.279
  219   2HE   LYS  30          2HE       LYS  30  -3.391  14.685  12.258
  220   1HZ   LYS  30          1HZ       LYS  30  -5.319  15.432  10.308
  221   2HZ   LYS  30          2HZ       LYS  30  -5.911  15.504  11.828
  222   3HZ   LYS  30          3HZ       LYS  30  -4.570  16.349  11.434
  223    H    ASP  31           H        ASP  31  -5.464   9.201   9.684
  224    HA   ASP  31           HA       ASP  31  -6.641   9.043  12.282
  225   1HB   ASP  31          1HB       ASP  31  -8.080   9.998  10.664
  226   2HB   ASP  31          2HB       ASP  31  -7.610   8.853   9.424
  227    H    VAL  32           H        VAL  32  -4.749   7.006  10.409
  228    HA   VAL  32           HA       VAL  32  -6.200   4.602  11.276
  229    HB   VAL  32           HB       VAL  32  -4.160   4.874   9.063
  230   1HG1  VAL  32          1HG1      VAL  32  -4.787   2.617  10.361
  231   2HG1  VAL  32          2HG1      VAL  32  -6.135   2.641   9.199
  232   3HG1  VAL  32          3HG1      VAL  32  -4.455   2.654   8.612
  233   1HG2  VAL  32          1HG2      VAL  32  -6.359   6.154   8.735
  234   2HG2  VAL  32          2HG2      VAL  32  -5.896   4.988   7.472
  235   3HG2  VAL  32          3HG2      VAL  32  -7.141   4.556   8.669
  236    H    LYS  33           H        LYS  33  -5.244   3.307  12.780
  237    HA   LYS  33           HA       LYS  33  -3.105   4.176  14.257
  238   1HB   LYS  33          2HB       LYS  33  -4.035   1.313  13.884
  239   2HB   LYS  33          1HB       LYS  33  -3.089   1.929  15.224
  240   1HG   LYS  33          1HG       LYS  33  -5.467   3.582  14.842
  241   2HG   LYS  33          2HG       LYS  33  -5.927   1.897  14.983
  242   1HD   LYS  33          1HD       LYS  33  -4.497   1.739  17.076
  243   2HD   LYS  33          2HD       LYS  33  -4.198   3.462  16.956
  244   1HE   LYS  33          1HE       LYS  33  -7.076   2.787  16.778
  245   2HE   LYS  33          2HE       LYS  33  -6.350   2.268  18.287
  246   1HZ   LYS  33          1HZ       LYS  33  -5.756   4.941  17.320
  247   2HZ   LYS  33          2HZ       LYS  33  -7.216   4.667  17.999
  248   3HZ   LYS  33          3HZ       LYS  33  -5.853   4.394  18.856
  249    H    CYS  34           H        CYS  34  -0.908   3.183  14.513
  250    HA   CYS  34           HA       CYS  34   0.373   3.191  11.983
  251   1HB   CYS  34          1HB       CYS  34   1.627   2.434  14.620
  252   2HB   CYS  34          2HB       CYS  34   2.415   3.067  13.189
  253    H    ASP  35           H        ASP  35  -0.513   0.769  14.502
  254    HA   ASP  35           HA       ASP  35   0.878  -1.342  13.331
  255   1HB   ASP  35          1HB       ASP  35  -0.673  -2.766  14.744
  256   2HB   ASP  35          2HB       ASP  35   0.169  -1.513  15.634
  257    H    ASP  36           H        ASP  36  -1.807   0.460  12.273
  258    HA   ASP  36           HA       ASP  36  -3.498  -1.529  11.333
  259   1HB   ASP  36          1HB       ASP  36  -3.752   1.105  11.531
  260   2HB   ASP  36          2HB       ASP  36  -3.100   1.117   9.904
  261    H    CYS  37           H        CYS  37  -0.350  -0.410  10.347
  262    HA   CYS  37           HA       CYS  37  -0.625  -1.915   7.855
  263   1HB   CYS  37          1HB       CYS  37   0.770   0.758   8.193
  264   2HB   CYS  37          2HB       CYS  37   0.972  -0.281   6.797
  265    H    HIS  38           H        HIS  38   1.567  -0.414  10.330
  266    HA   HIS  38           HA       HIS  38   3.696  -2.190   9.671
  267   1HB   HIS  38          1HB       HIS  38   3.326  -0.293  12.006
  268   2HB   HIS  38          2HB       HIS  38   4.810  -1.140  11.619
  269    HD1  HIS  38           HD1      HIS  38   5.835  -0.539   9.122
  270    HD2  HIS  38           HD2      HIS  38   3.061   2.143  10.769
  271    HE1  HIS  38           HE1      HIS  38   6.111   1.652   7.843
  272    H    HIS  39           H        HIS  39   2.537  -4.255   9.858
  273    HA   HIS  39           HA       HIS  39   1.741  -4.959  12.553
  274   1HB   HIS  39          2HB       HIS  39   0.623  -6.780  11.621
  275   2HB   HIS  39          1HB       HIS  39   0.393  -5.493  10.454
  276    HD1  HIS  39           HD1      HIS  39   1.510  -8.949  10.723
  277    HD2  HIS  39           HD2      HIS  39   2.296  -5.722   8.160
  278    HE1  HIS  39           HE1      HIS  39   2.545  -9.946   8.614
  279    H    GLN  40           H        GLN  40   4.455  -4.349  12.425
  280    HA   GLN  40           HA       GLN  40   5.690  -6.986  12.339
  281   1HB   GLN  40          1HB       GLN  40   6.746  -4.189  11.903
  282   2HB   GLN  40          2HB       GLN  40   7.848  -5.438  12.448
  283   1HG   GLN  40          1HG       GLN  40   7.545  -5.067   9.868
  284   2HG   GLN  40          2HG       GLN  40   7.612  -6.709  10.478
  285   2HE2  GLN  40          2HE2      GLN  40   5.804  -7.989  10.520
  286   1HE2  GLN  40          1HE2      GLN  40   4.328  -7.603   9.699
  287    HA   PRO  41           HA       PRO  41   6.179  -7.289  16.667
  288   1HB   PRO  41          1HB       PRO  41   8.902  -8.026  16.757
  289   2HB   PRO  41          2HB       PRO  41   7.524  -9.127  16.432
  290   1HG   PRO  41          1HG       PRO  41   9.317  -7.769  14.516
  291   2HG   PRO  41          2HG       PRO  41   8.789  -9.479  14.384
  292   1HD   PRO  41          1HD       PRO  41   7.567  -7.636  12.885
  293   2HD   PRO  41          2HD       PRO  41   6.542  -8.783  13.801
  294    H    GLY  42           H        GLY  42   7.087  -6.111  18.515
  295   1HA   GLY  42          2HA       GLY  42   8.095  -4.383  19.549
  296   2HA   GLY  42          1HA       GLY  42   7.587  -3.451  18.154
  297    H    ASP  43           H        ASP  43   9.783  -2.417  19.120
  298    HA   ASP  43           HA       ASP  43  11.912  -2.016  18.898
  299   1HB   ASP  43          1HB       ASP  43  11.892  -4.820  18.871
  300   2HB   ASP  43          2HB       ASP  43  12.764  -4.424  17.404
  301    H    LYS  44           H        LYS  44  11.086  -4.212  16.095
  302    HA   LYS  44           HA       LYS  44  11.968  -2.068  14.298
  303   1HB   LYS  44          1HB       LYS  44  12.417  -3.784  12.670
  304   2HB   LYS  44          2HB       LYS  44  13.220  -4.197  14.172
  305   1HG   LYS  44          1HG       LYS  44  11.215  -5.672  14.747
  306   2HG   LYS  44          2HG       LYS  44  10.592  -5.360  13.139
  307   1HD   LYS  44          1HD       LYS  44  11.768  -7.307  12.693
  308   2HD   LYS  44          2HD       LYS  44  13.047  -6.147  12.394
  309   1HE   LYS  44          1HE       LYS  44  13.476  -6.444  15.030
  310   2HE   LYS  44          2HE       LYS  44  12.655  -7.970  14.770
  311   1HZ   LYS  44          1HZ       LYS  44  14.827  -7.162  12.997
  312   2HZ   LYS  44          2HZ       LYS  44  15.157  -7.853  14.439
  313   3HZ   LYS  44          3HZ       LYS  44  14.281  -8.665  13.326
  314    H    GLN  45           H        GLN  45   9.319  -2.352  15.771
  315    HA   GLN  45           HA       GLN  45   7.288  -3.303  14.394
  316   1HB   GLN  45          1HB       GLN  45   7.184  -1.904  16.490
  317   2HB   GLN  45          2HB       GLN  45   7.356  -0.464  15.507
  318   1HG   GLN  45          1HG       GLN  45   5.185  -0.547  14.769
  319   2HG   GLN  45          2HG       GLN  45   5.218  -2.286  14.553
  320   2HE2  GLN  45          2HE2      GLN  45   3.032  -2.026  15.452
  321   1HE2  GLN  45          1HE2      GLN  45   2.812  -2.079  17.170
  322    H    TYR  46           H        TYR  46   9.230  -0.480  13.532
  323    HA   TYR  46           HA       TYR  46   7.648  -0.141  11.036
  324   1HB   TYR  46          1HB       TYR  46   9.723   1.730  12.205
  325   2HB   TYR  46          2HB       TYR  46   8.532   2.077  10.940
  326    HD1  TYR  46           HD1      TYR  46   6.069   2.115  11.558
  327    HD2  TYR  46           HD2      TYR  46   9.208   2.045  14.489
  328    HE1  TYR  46           HE1      TYR  46   4.481   2.933  13.278
  329    HE2  TYR  46           HE2      TYR  46   7.621   2.863  16.209
  330    HH   TYR  46           HH       TYR  46   5.437   4.108  16.340
  331    H    ALA  47           H        ALA  47   8.668  -2.046   9.988
  332    HA   ALA  47           HA       ALA  47  11.448  -1.441   9.240
  333   1HB   ALA  47          1HB       ALA  47  10.263  -3.798  10.441
  334   2HB   ALA  47          3HB       ALA  47  11.972  -3.457  10.081
  335   3HB   ALA  47          2HB       ALA  47  10.931  -4.196   8.841
  336    H    GLY  48           H        GLY  48  11.841  -3.028   7.099
  337   1HA   GLY  48          2HA       GLY  48  11.531  -2.938   4.860
  338   2HA   GLY  48          1HA       GLY  48  10.231  -1.785   5.087
  339    H    CYS  49           H        CYS  49   8.703  -2.726   3.694
  340    HA   CYS  49           HA       CYS  49   7.326  -4.970   4.796
  341   1HB   CYS  49          2HB       CYS  49   6.767  -3.614   2.159
  342   2HB   CYS  49          1HB       CYS  49   5.669  -4.569   3.135
  343    H    THR  50           H        THR  50   9.628  -4.243   2.173
  344    HA   THR  50           HA       THR  50   9.307  -6.912   1.044
  345    HB   THR  50           HB       THR  50  10.950  -5.940  -0.645
  346    HG1  THR  50           HG1      THR  50  11.732  -3.887  -0.143
  347   1HG2  THR  50          1HG2      THR  50   8.243  -4.889  -0.058
  348   2HG2  THR  50          2HG2      THR  50   9.272  -3.712  -0.909
  349   3HG2  THR  50          3HG2      THR  50   8.969  -5.312  -1.627
  350    H    THR  51           H        THR  51  10.415  -6.279   3.845
  351    HA   THR  51           HA       THR  51  13.188  -6.853   3.726
  352    HB   THR  51           HB       THR  51  11.204  -7.274   6.018
  353    HG1  THR  51           HG1      THR  51  12.675  -4.978   4.932
  354   1HG2  THR  51          1HG2      THR  51  14.197  -6.731   5.797
  355   2HG2  THR  51          2HG2      THR  51  13.284  -6.292   7.260
  356   3HG2  THR  51          3HG2      THR  51  13.377  -7.993   6.747
  357    H    ASP  52           H        ASP  52  14.284  -8.799   4.464
  358    HA   ASP  52           HA       ASP  52  13.504 -10.984   3.045
  359   1HB   ASP  52          1HB       ASP  52  15.644 -10.252   4.728
  360   2HB   ASP  52          2HB       ASP  52  14.987 -11.683   5.497
  361    H    GLY  53           H        GLY  53  12.719 -13.153   3.838
  362   1HA   GLY  53          2HA       GLY  53  11.796 -13.672   6.406
  363   2HA   GLY  53          1HA       GLY  53  11.260 -14.460   4.936
  364    H    CYS  54           H        CYS  54  10.535 -11.506   3.979
  365    HA   CYS  54           HA       CYS  54   7.923 -11.555   5.295
  366   1HB   CYS  54          1HB       CYS  54   9.343  -8.990   4.531
  367   2HB   CYS  54          2HB       CYS  54   7.849  -9.163   5.429
  368    H    HIS  55           H        HIS  55   7.724  -8.951   3.382
  369    HA   HIS  55           HA       HIS  55   6.767 -10.524   1.146
  370   1HB   HIS  55          2HB       HIS  55   6.477  -7.543   1.537
  371   2HB   HIS  55          1HB       HIS  55   5.517  -8.601   0.522
  372    HD1  HIS  55           HD1      HIS  55   3.947 -10.388   1.867
  373    HD2  HIS  55           HD2      HIS  55   5.502  -7.190   4.091
  374    HE1  HIS  55           HE1      HIS  55   2.549 -10.252   3.997
  375    H    ASN  56           H        ASN  56   9.521 -10.675   1.298
  376    HA   ASN  56           HA       ASN  56  10.617  -8.585  -0.312
  377   1HB   ASN  56          1HB       ASN  56  11.976  -9.675   1.476
  378   2HB   ASN  56          2HB       ASN  56  11.795 -11.231   0.690
  379   2HD2  ASN  56          2HD2      ASN  56  14.225  -9.899   1.325
  380   1HD2  ASN  56          1HD2      ASN  56  15.092  -9.588  -0.142
  381    H    ILE  57           H        ILE  57   8.881  -9.201  -2.069
  382    HA   ILE  57           HA       ILE  57  10.090 -11.206  -3.828
  383    HB   ILE  57           HB       ILE  57   7.127 -10.906  -3.328
  384   1HG1  ILE  57          1HG1      ILE  57   8.643 -11.987  -1.497
  385   2HG1  ILE  57          2HG1      ILE  57   7.147 -12.765  -1.975
  386   1HG2  ILE  57          1HG2      ILE  57   7.677 -11.524  -5.634
  387   2HG2  ILE  57          2HG2      ILE  57   8.658 -12.885  -5.038
  388   3HG2  ILE  57          3HG2      ILE  57   6.899 -12.867  -4.761
  389   1HD1  ILE  57          1HD1      ILE  57   9.914 -13.451  -3.071
  390   2HD1  ILE  57          2HD1      ILE  57   9.008 -14.400  -1.868
  391   3HD1  ILE  57          3HD1      ILE  57   8.392 -14.252  -3.531
  392    H    LEU  58           H        LEU  58  10.898 -10.036  -5.487
  393    HA   LEU  58           HA       LEU  58   9.354  -7.699  -6.339
  394   1HB   LEU  58          1HB       LEU  58  12.238  -8.452  -6.833
  395   2HB   LEU  58          2HB       LEU  58  11.446  -7.019  -7.456
  396    HG   LEU  58           HG       LEU  58  11.981  -7.671  -4.547
  397   1HD1  LEU  58          1HD1      LEU  58  13.320  -5.975  -6.592
  398   2HD1  LEU  58          2HD1      LEU  58  13.203  -5.327  -4.938
  399   3HD1  LEU  58          3HD1      LEU  58  14.001  -6.892  -5.227
  400   1HD2  LEU  58          1HD2      LEU  58  10.078  -5.805  -5.777
  401   2HD2  LEU  58          2HD2      LEU  58  10.170  -6.432  -4.114
  402   3HD2  LEU  58          3HD2      LEU  58  11.180  -5.049  -4.601
  403    H    ASP  59           H        ASP  59   7.881  -9.624  -7.157
  404    HA   ASP  59           HA       ASP  59   8.498  -9.807  -9.952
  405   1HB   ASP  59          1HB       ASP  59   9.178 -11.962  -8.350
  406   2HB   ASP  59          2HB       ASP  59   7.539 -12.387  -8.803
  407    H    LYS  60           H        LYS  60   6.584  -8.700 -10.528
  408    HA   LYS  60           HA       LYS  60   4.165  -9.046  -9.101
  409   1HB   LYS  60          2HB       LYS  60   3.240  -7.513 -10.676
  410   2HB   LYS  60          1HB       LYS  60   4.864  -6.972 -10.304
  411   1HG   LYS  60          1HG       LYS  60   5.448  -8.550 -12.435
  412   2HG   LYS  60          2HG       LYS  60   3.792  -8.158 -12.850
  413   1HD   LYS  60          1HD       LYS  60   4.773  -6.309 -13.811
  414   2HD   LYS  60          2HD       LYS  60   4.639  -5.665 -12.187
  415   1HE   LYS  60          1HE       LYS  60   6.905  -5.258 -12.712
  416   2HE   LYS  60          2HE       LYS  60   6.994  -6.737 -11.777
  417   1HZ   LYS  60          1HZ       LYS  60   6.565  -7.471 -14.394
  418   2HZ   LYS  60          2HZ       LYS  60   7.728  -6.326 -14.434
  419   3HZ   LYS  60          3HZ       LYS  60   7.931  -7.664 -13.521
  420    H    ALA  61           H        ALA  61   4.627 -11.578  -9.344
  421    HA   ALA  61           HA       ALA  61   2.524 -12.665 -10.679
  422   1HB   ALA  61          1HB       ALA  61   4.552 -13.670 -12.451
  423   2HB   ALA  61          3HB       ALA  61   3.054 -12.798 -12.856
  424   3HB   ALA  61          2HB       ALA  61   4.553 -11.893 -12.539
  425    H    ASP  62           H        ASP  62   3.315 -13.173  -8.247
  426    HA   ASP  62           HA       ASP  62   4.864 -15.635  -8.465
  427   1HB   ASP  62          1HB       ASP  62   5.843 -13.668  -7.100
  428   2HB   ASP  62          2HB       ASP  62   4.532 -13.921  -5.965
  429    H    LYS  63           H        LYS  63   4.279 -17.011  -6.237
  430    HA   LYS  63           HA       LYS  63   1.404 -16.790  -5.755
  431   1HB   LYS  63          1HB       LYS  63   2.847 -19.293  -6.673
  432   2HB   LYS  63          2HB       LYS  63   1.236 -19.286  -5.983
  433   1HG   LYS  63          1HG       LYS  63   0.380 -17.888  -7.790
  434   2HG   LYS  63          2HG       LYS  63   1.995 -17.590  -8.403
  435   1HD   LYS  63          1HD       LYS  63   1.821 -20.398  -8.351
  436   2HD   LYS  63          2HD       LYS  63   0.219 -19.899  -8.858
  437   1HE   LYS  63          1HE       LYS  63   2.382 -18.382 -10.202
  438   2HE   LYS  63          2HE       LYS  63   2.457 -20.104 -10.517
  439   1HZ   LYS  63          1HZ       LYS  63  -0.185 -19.063 -10.668
  440   2HZ   LYS  63          2HZ       LYS  63   0.825 -18.373 -11.750
  441   3HZ   LYS  63          3HZ       LYS  63   0.628 -19.994 -11.735
  442    H    SER  64           H        SER  64   2.033 -15.831  -3.725
  443    HA   SER  64           HA       SER  64   2.249 -17.702  -1.702
  444   1HB   SER  64          1HB       SER  64   4.521 -16.972  -0.790
  445   2HB   SER  64          2HB       SER  64   4.567 -18.014  -2.198
  446    HG   SER  64           HG       SER  64   4.663 -15.131  -2.401
  447    H    VAL  65           H        VAL  65   2.531 -16.531   0.513
  448    HA   VAL  65           HA       VAL  65   1.133 -14.001   0.294
  449    HB   VAL  65           HB       VAL  65   0.215 -15.637   1.770
  450   1HG1  VAL  65          1HG1      VAL  65   3.015 -15.805   2.887
  451   2HG1  VAL  65          2HG1      VAL  65   1.602 -16.307   3.847
  452   3HG1  VAL  65          3HG1      VAL  65   1.958 -17.112   2.300
  453   1HG2  VAL  65          1HG2      VAL  65   0.464 -13.114   2.451
  454   2HG2  VAL  65          2HG2      VAL  65  -0.155 -14.300   3.624
  455   3HG2  VAL  65          3HG2      VAL  65   1.540 -13.763   3.711
  456    H    ASN  66           H        ASN  66   3.795 -13.917  -0.698
  457    HA   ASN  66           HA       ASN  66   4.960 -12.220   1.359
  458   1HB   ASN  66          2HB       ASN  66   6.524 -14.029  -0.557
  459   2HB   ASN  66          1HB       ASN  66   7.227 -12.979   0.657
  460   2HD2  ASN  66          2HD2      ASN  66   6.288 -13.300   2.920
  461   1HD2  ASN  66          1HD2      ASN  66   6.136 -14.933   3.478
  462    H    SER  67           H        SER  67   3.352 -12.232  -1.446
  463    HA   SER  67           HA       SER  67   5.160 -10.871  -3.154
  464   1HB   SER  67          1HB       SER  67   2.739 -10.369  -4.275
  465   2HB   SER  67          2HB       SER  67   3.596 -11.882  -4.488
  466    HG   SER  67           HG       SER  67   1.391 -12.241  -3.838
  467    H    TRP  68           H        TRP  68   5.398  -8.640  -3.458
  468    HA   TRP  68           HA       TRP  68   4.060  -6.978  -1.477
  469   1HB   TRP  68          1HB       TRP  68   6.353  -6.630  -1.429
  470   2HB   TRP  68          2HB       TRP  68   6.517  -6.707  -3.172
  471    HD1  TRP  68           HD1      TRP  68   6.739  -4.372  -4.330
  472    HE1  TRP  68           HE1      TRP  68   6.270  -1.837  -3.767
  473    HE3  TRP  68           HE3      TRP  68   4.510  -5.237   0.158
  474    HZ2  TRP  68           HZ2      TRP  68   5.047  -0.508  -1.557
  475    HZ3  TRP  68           HZ3      TRP  68   3.707  -3.265   1.455
  476    HH2  TRP  68           HH2      TRP  68   3.946  -0.964   0.665
  477    H    TYR  69           H        TYR  69   2.999  -8.252  -4.092
  478    HA   TYR  69           HA       TYR  69   1.944  -5.724  -5.271
  479   1HB   TYR  69          1HB       TYR  69   3.374  -6.736  -6.892
  480   2HB   TYR  69          2HB       TYR  69   2.720  -8.350  -6.564
  481    HD1  TYR  69           HD1      TYR  69   0.366  -8.898  -7.260
  482    HD2  TYR  69           HD2      TYR  69   2.342  -5.277  -8.460
  483    HE1  TYR  69           HE1      TYR  69  -1.292  -8.596  -9.078
  484    HE2  TYR  69           HE2      TYR  69   0.683  -4.975 -10.278
  485    HH   TYR  69           HH       TYR  69  -2.039  -7.239 -10.762
  486    H    LYS  70           H        LYS  70   1.212  -8.405  -3.338
  487    HA   LYS  70           HA       LYS  70  -1.523  -8.503  -4.397
  488   1HB   LYS  70          1HB       LYS  70  -0.126 -10.632  -4.254
  489   2HB   LYS  70          2HB       LYS  70  -0.232 -10.486  -2.512
  490   1HG   LYS  70          1HG       LYS  70  -2.888 -10.107  -3.380
  491   2HG   LYS  70          2HG       LYS  70  -2.279 -11.365  -4.437
  492   1HD   LYS  70          1HD       LYS  70  -2.274 -11.387  -1.385
  493   2HD   LYS  70          2HD       LYS  70  -3.239 -12.403  -2.438
  494   1HE   LYS  70          1HE       LYS  70  -1.390 -13.717  -3.100
  495   2HE   LYS  70          2HE       LYS  70  -0.227 -12.460  -2.729
  496   1HZ   LYS  70          1HZ       LYS  70  -1.786 -13.954  -0.734
  497   2HZ   LYS  70          2HZ       LYS  70  -0.211 -14.205  -1.089
  498   3HZ   LYS  70          3HZ       LYS  70  -0.680 -12.800  -0.400
  499    H    VAL  71           H        VAL  71   0.507  -8.088  -1.450
  500    HA   VAL  71           HA       VAL  71  -1.655  -7.707   0.300
  501    HB   VAL  71           HB       VAL  71   0.065  -6.746   1.781
  502   1HG1  VAL  71          1HG1      VAL  71  -0.142  -9.360   0.831
  503   2HG1  VAL  71          2HG1      VAL  71   1.605  -9.019   0.795
  504   3HG1  VAL  71          3HG1      VAL  71   0.692  -8.828   2.311
  505   1HG2  VAL  71          1HG2      VAL  71   1.477  -6.391  -0.752
  506   2HG2  VAL  71          2HG2      VAL  71   1.756  -5.627   0.831
  507   3HG2  VAL  71          3HG2      VAL  71   2.474  -7.215   0.471
  508    H    VAL  72           H        VAL  72  -0.635  -5.884  -2.367
  509    HA   VAL  72           HA       VAL  72  -1.535  -3.376  -1.154
  510    HB   VAL  72           HB       VAL  72   0.025  -4.030  -3.655
  511   1HG1  VAL  72          1HG1      VAL  72  -1.306  -1.469  -2.796
  512   2HG1  VAL  72          2HG1      VAL  72   0.208  -1.426  -3.731
  513   3HG1  VAL  72          3HG1      VAL  72  -1.233  -2.224  -4.406
  514   1HG2  VAL  72          1HG2      VAL  72   0.683  -3.005  -0.937
  515   2HG2  VAL  72          2HG2      VAL  72   1.634  -4.025  -2.044
  516   3HG2  VAL  72          3HG2      VAL  72   1.545  -2.267  -2.309
  517    H    HIS  73           H        HIS  73  -1.949  -5.422  -4.128
  518    HA   HIS  73           HA       HIS  73  -4.476  -4.066  -4.587
  519   1HB   HIS  73          2HB       HIS  73  -3.069  -6.116  -6.317
  520   2HB   HIS  73          1HB       HIS  73  -4.429  -5.108  -6.771
  521    HD1  HIS  73           HD1      HIS  73  -0.705  -4.947  -6.121
  522    HD2  HIS  73           HD2      HIS  73  -3.790  -2.483  -7.538
  523    HE1  HIS  73           HE1      HIS  73   0.425  -2.888  -7.117
  524    H    ASP  74           H        ASP  74  -3.974  -5.953  -2.287
  525    HA   ASP  74           HA       ASP  74  -5.284  -8.355  -2.987
  526   1HB   ASP  74          1HB       ASP  74  -3.960  -7.184  -0.669
  527   2HB   ASP  74          2HB       ASP  74  -5.483  -7.893  -0.169
  528    H    ALA  75           H        ALA  75  -7.436  -8.030  -3.710
  529    HA   ALA  75           HA       ALA  75  -9.113  -6.122  -2.337
  530   1HB   ALA  75          1HB       ALA  75 -10.035  -8.058  -4.461
  531   2HB   ALA  75          3HB       ALA  75  -8.968  -6.701  -4.898
  532   3HB   ALA  75          2HB       ALA  75 -10.555  -6.383  -4.156
  533    H    LYS  76           H        LYS  76  -7.997  -9.133  -1.558
  534    HA   LYS  76           HA       LYS  76 -10.587 -10.074  -0.576
  535   1HB   LYS  76          1HB       LYS  76  -8.997 -11.536  -1.976
  536   2HB   LYS  76          2HB       LYS  76  -7.984 -11.607  -0.548
  537   1HG   LYS  76          1HG       LYS  76 -10.229 -12.279   0.693
  538   2HG   LYS  76          2HG       LYS  76 -10.802 -12.662  -0.918
  539   1HD   LYS  76          1HD       LYS  76  -9.259 -14.411  -1.211
  540   2HD   LYS  76          2HD       LYS  76  -8.101 -13.724  -0.089
  541   1HE   LYS  76          1HE       LYS  76  -9.734 -14.233   1.802
  542   2HE   LYS  76          2HE       LYS  76 -10.750 -15.061   0.638
  543   1HZ   LYS  76          1HZ       LYS  76  -8.533 -16.275   0.119
  544   2HZ   LYS  76          2HZ       LYS  76  -8.139 -15.824   1.639
  545   3HZ   LYS  76          3HZ       LYS  76  -9.461 -16.747   1.377
  546    H    GLY  77           H        GLY  77 -11.008 -10.332   1.624
  547   1HA   GLY  77          2HA       GLY  77 -10.834  -9.888   3.819
  548   2HA   GLY  77          1HA       GLY  77  -9.748  -8.580   3.395
  549    H    GLY  78           H        GLY  78  -9.493 -10.247   5.750
  550   1HA   GLY  78          2HA       GLY  78  -6.807 -11.309   5.238
  551   2HA   GLY  78          1HA       GLY  78  -8.004 -12.380   5.940
  552    H    ALA  79           H        ALA  79  -5.777 -11.925   7.450
  553    HA   ALA  79           HA       ALA  79  -6.714 -11.139   9.871
  554   1HB   ALA  79          1HB       ALA  79  -4.326 -10.947  10.507
  555   2HB   ALA  79          3HB       ALA  79  -4.620 -12.375   9.486
  556   3HB   ALA  79          2HB       ALA  79  -3.876 -10.917   8.785
  557    H    LYS  80           H        LYS  80  -5.747  -9.132   7.142
  558    HA   LYS  80           HA       LYS  80  -6.696  -6.816   8.540
  559   1HB   LYS  80          1HB       LYS  80  -4.420  -5.640   7.809
  560   2HB   LYS  80          2HB       LYS  80  -4.646  -6.350   9.394
  561   1HG   LYS  80          1HG       LYS  80  -3.623  -8.493   8.561
  562   2HG   LYS  80          2HG       LYS  80  -3.359  -7.744   6.998
  563   1HD   LYS  80          2HD       LYS  80  -2.114  -6.928   9.661
  564   2HD   LYS  80          1HD       LYS  80  -1.285  -7.596   8.269
  565   1HE   LYS  80          1HE       LYS  80  -2.031  -5.540   6.942
  566   2HE   LYS  80          2HE       LYS  80  -2.640  -4.865   8.440
  567   1HZ   LYS  80          1HZ       LYS  80   0.050  -5.840   8.577
  568   2HZ   LYS  80          2HZ       LYS  80  -0.155  -4.566   7.576
  569   3HZ   LYS  80          3HZ       LYS  80  -0.584  -4.448   9.148
  570    HA   PRO  81           HA       PRO  81  -7.794  -5.721   4.451
  571   1HB   PRO  81          1HB       PRO  81  -7.930  -2.989   4.637
  572   2HB   PRO  81          2HB       PRO  81  -9.051  -4.075   5.522
  573   1HG   PRO  81          1HG       PRO  81  -6.718  -2.704   6.399
  574   2HG   PRO  81          2HG       PRO  81  -8.232  -2.866   7.346
  575   1HD   PRO  81          1HD       PRO  81  -5.964  -4.385   7.822
  576   2HD   PRO  81          2HD       PRO  81  -7.617  -5.018   8.092
  577    H    THR  82           H        THR  82  -7.083  -3.618   2.796
  578    HA   THR  82           HA       THR  82  -4.157  -3.523   2.841
  579    HB   THR  82           HB       THR  82  -4.232  -4.139   0.363
  580    HG1  THR  82           HG1      THR  82  -6.407  -5.345  -0.002
  581   1HG2  THR  82          1HG2      THR  82  -4.553  -5.913   2.632
  582   2HG2  THR  82          2HG2      THR  82  -5.524  -6.545   1.281
  583   3HG2  THR  82          3HG2      THR  82  -3.779  -6.263   1.068
  584    H    CYS  83           H        CYS  83  -3.820  -2.238   0.363
  585    HA   CYS  83           HA       CYS  83  -4.658   0.370   1.146
  586   1HB   CYS  83          2HB       CYS  83  -3.312  -0.348  -1.452
  587   2HB   CYS  83          1HB       CYS  83  -3.277   1.177  -0.590
  588    H    ILE  84           H        ILE  84  -6.141  -2.219  -0.442
  589    HA   ILE  84           HA       ILE  84  -7.744  -0.416  -2.117
  590    HB   ILE  84           HB       ILE  84  -6.953  -3.296  -2.386
  591   1HG1  ILE  84          1HG1      ILE  84  -5.743  -1.210  -3.411
  592   2HG1  ILE  84          2HG1      ILE  84  -5.967  -2.668  -4.358
  593   1HG2  ILE  84          1HG2      ILE  84  -9.330  -1.961  -3.707
  594   2HG2  ILE  84          2HG2      ILE  84  -8.613  -3.508  -4.218
  595   3HG2  ILE  84          3HG2      ILE  84  -9.352  -3.359  -2.606
  596   1HD1  ILE  84          1HD1      ILE  84  -7.791  -0.219  -4.430
  597   2HD1  ILE  84          2HD1      ILE  84  -6.593  -0.663  -5.669
  598   3HD1  ILE  84          3HD1      ILE  84  -8.014  -1.699  -5.394
  599    H    SER  85           H        SER  85  -7.822  -3.157   0.233
  600    HA   SER  85           HA       SER  85 -10.505  -3.480   0.386
  601   1HB   SER  85          1HB       SER  85  -8.360  -4.524   1.692
  602   2HB   SER  85          2HB       SER  85  -8.995  -3.514   2.975
  603    HG   SER  85           HG       SER  85 -11.127  -4.576   2.545
  604    H    CYS  86           H        CYS  86  -8.488  -1.393   2.596
  605    HA   CYS  86           HA       CYS  86 -10.634  -0.213   3.872
  606   1HB   CYS  86          1HB       CYS  86  -8.175  -0.183   4.546
  607   2HB   CYS  86          2HB       CYS  86  -7.956   1.123   3.398
  608    H    HIS  87           H        HIS  87  -8.573   0.998   1.121
  609    HA   HIS  87           HA       HIS  87  -9.843   3.342   0.643
  610   1HB   HIS  87          1HB       HIS  87  -8.427   1.365  -1.117
  611   2HB   HIS  87          2HB       HIS  87  -9.208   2.753  -1.849
  612    HD1  HIS  87           HD1      HIS  87  -6.956   3.834  -2.545
  613    HD2  HIS  87           HD2      HIS  87  -7.351   3.221   1.586
  614    HE1  HIS  87           HE1      HIS  87  -5.057   5.136  -1.444
  615    H    LYS  88           H        LYS  88 -10.930   0.031  -0.107
  616    HA   LYS  88           HA       LYS  88 -12.955   0.722  -1.906
  617   1HB   LYS  88          1HB       LYS  88 -11.922  -1.620  -0.681
  618   2HB   LYS  88          2HB       LYS  88 -13.642  -1.600  -0.347
  619   1HG   LYS  88          1HG       LYS  88 -13.413  -2.700  -2.467
  620   2HG   LYS  88          2HG       LYS  88 -14.022  -1.099  -2.834
  621   1HD   LYS  88          1HD       LYS  88 -11.396  -0.518  -2.986
  622   2HD   LYS  88          2HD       LYS  88 -11.269  -2.237  -3.302
  623   1HE   LYS  88          1HE       LYS  88 -13.439  -1.389  -4.910
  624   2HE   LYS  88          2HE       LYS  88 -12.262  -0.099  -5.054
  625   1HZ   LYS  88          1HZ       LYS  88 -11.705  -2.951  -5.492
  626   2HZ   LYS  88          2HZ       LYS  88 -11.876  -1.824  -6.661
  627   3HZ   LYS  88          3HZ       LYS  88 -10.612  -1.747  -5.630
  628    H    ASP  89           H        ASP  89 -12.912   0.365   1.691
  629    HA   ASP  89           HA       ASP  89 -15.578   0.685   2.118
  630   1HB   ASP  89          1HB       ASP  89 -13.471   0.325   3.727
  631   2HB   ASP  89          2HB       ASP  89 -13.577   2.064   3.920
  632    H    LYS  90           H        LYS  90 -12.948   3.111   1.617
  633    HA   LYS  90           HA       LYS  90 -14.491   5.378   2.216
  634   1HB   LYS  90          1HB       LYS  90 -11.887   4.850   0.821
  635   2HB   LYS  90          2HB       LYS  90 -12.613   6.439   0.692
  636   1HG   LYS  90          1HG       LYS  90 -12.210   5.043   3.374
  637   2HG   LYS  90          2HG       LYS  90 -10.986   6.074   2.661
  638   1HD   LYS  90          1HD       LYS  90 -12.360   8.023   2.806
  639   2HD   LYS  90          2HD       LYS  90 -13.830   7.087   2.994
  640   1HE   LYS  90          1HE       LYS  90 -11.573   7.279   5.048
  641   2HE   LYS  90          2HE       LYS  90 -13.118   8.099   5.155
  642   1HZ   LYS  90          1HZ       LYS  90 -13.722   5.475   4.737
  643   2HZ   LYS  90          2HZ       LYS  90 -12.489   5.438   5.807
  644   3HZ   LYS  90          3HZ       LYS  90 -13.841   6.287   6.149
  645    H    ALA  91           H        ALA  91 -13.918   3.487  -0.784
  646    HA   ALA  91           HA       ALA  91 -15.641   5.332  -2.241
  647   1HB   ALA  91          1HB       ALA  91 -14.408   2.882  -3.461
  648   2HB   ALA  91          3HB       ALA  91 -14.645   4.504  -4.154
  649   3HB   ALA  91          2HB       ALA  91 -13.332   4.218  -2.987
  650    H    GLY  92           H        GLY  92 -16.583   3.528   0.001
  651   1HA   GLY  92          2HA       GLY  92 -18.150   1.939   0.411
  652   2HA   GLY  92          1HA       GLY  92 -18.043   1.394  -1.252
  653    H    ASP  93           H        ASP  93 -19.694   1.893  -2.653
  654    HA   ASP  93           HA       ASP  93 -21.820   2.440  -3.019
  655   1HB   ASP  93          1HB       ASP  93 -21.884   3.086  -0.435
  656   2HB   ASP  93          2HB       ASP  93 -21.761   4.728  -1.034
  657    H    ASP  94           H        ASP  94 -19.056   4.540  -2.648
  658    HA   ASP  94           HA       ASP  94 -20.226   6.606  -4.285
  659   1HB   ASP  94          1HB       ASP  94 -18.672   6.981  -2.231
  660   2HB   ASP  94          2HB       ASP  94 -17.361   6.443  -3.262
  661    H    LYS  95           H        LYS  95 -20.092   6.306  -6.514
  662    HA   LYS  95           HA       LYS  95 -18.236   4.411  -7.589
  663   1HB   LYS  95          1HB       LYS  95 -20.709   5.101  -8.307
  664   2HB   LYS  95          2HB       LYS  95 -19.848   6.246  -9.314
  665   1HG   LYS  95          1HG       LYS  95 -18.357   4.039  -9.849
  666   2HG   LYS  95          2HG       LYS  95 -19.861   3.242  -9.432
  667   1HD   LYS  95          1HD       LYS  95 -20.736   3.765 -11.455
  668   2HD   LYS  95          2HD       LYS  95 -20.506   5.474 -11.141
  669   1HE   LYS  95          1HE       LYS  95 -17.916   4.693 -11.724
  670   2HE   LYS  95          2HE       LYS  95 -18.831   3.603 -12.746
  671   1HZ   LYS  95          1HZ       LYS  95 -20.090   5.859 -13.220
  672   2HZ   LYS  95          2HZ       LYS  95 -18.612   6.467 -12.884
  673   3HZ   LYS  95          3HZ       LYS  95 -18.792   5.376 -14.086
  674    H    GLU  96           H        GLU  96 -18.525   7.958  -7.282
  675    HA   GLU  96           HA       GLU  96 -16.493   8.524  -9.120
  676   1HB   GLU  96          1HB       GLU  96 -18.302  10.100  -8.191
  677   2HB   GLU  96          2HB       GLU  96 -17.316  10.248  -6.750
  678   1HG   GLU  96          2HG       GLU  96 -16.763  12.100  -8.229
  679   2HG   GLU  96          1HG       GLU  96 -15.387  11.016  -8.184
  680    H    LEU  97           H        LEU  97 -16.571   8.050  -5.541
  681    HA   LEU  97           HA       LEU  97 -13.837   8.680  -5.186
  682   1HB   LEU  97          1HB       LEU  97 -15.824   8.664  -3.521
  683   2HB   LEU  97          2HB       LEU  97 -15.465   6.958  -3.343
  684    HG   LEU  97           HG       LEU  97 -14.385   8.103  -1.565
  685   1HD1  LEU  97          1HD1      LEU  97 -13.109   6.303  -2.873
  686   2HD1  LEU  97          2HD1      LEU  97 -12.125   7.644  -3.506
  687   3HD1  LEU  97          3HD1      LEU  97 -12.184   7.334  -1.755
  688   1HD2  LEU  97          1HD2      LEU  97 -13.807  10.119  -3.628
  689   2HD2  LEU  97          2HD2      LEU  97 -14.067  10.299  -1.877
  690   3HD2  LEU  97          3HD2      LEU  97 -12.469   9.814  -2.494
  691    H    LYS  98           H        LYS  98 -15.504   5.987  -6.556
  692    HA   LYS  98           HA       LYS  98 -13.422   4.100  -5.869
  693   1HB   LYS  98          1HB       LYS  98 -15.838   3.471  -5.943
  694   2HB   LYS  98          2HB       LYS  98 -15.840   3.772  -7.669
  695   1HG   LYS  98          2HG       LYS  98 -14.998   1.705  -8.052
  696   2HG   LYS  98          1HG       LYS  98 -13.573   2.093  -7.109
  697   1HD   LYS  98          1HD       LYS  98 -14.411   0.278  -5.896
  698   2HD   LYS  98          2HD       LYS  98 -15.139   1.612  -5.025
  699   1HE   LYS  98          1HE       LYS  98 -16.909   0.026  -5.422
  700   2HE   LYS  98          2HE       LYS  98 -17.198   1.360  -6.521
  701   1HZ   LYS  98          1HZ       LYS  98 -15.809  -1.128  -7.242
  702   2HZ   LYS  98          2HZ       LYS  98 -17.362  -0.778  -7.607
  703   3HZ   LYS  98          3HZ       LYS  98 -16.150   0.102  -8.259
  704    H    LYS  99           H        LYS  99 -12.870   6.645  -7.425
  705    HA   LYS  99           HA       LYS  99 -11.466   5.303  -9.592
  706   1HB   LYS  99          1HB       LYS  99 -13.603   7.362  -9.927
  707   2HB   LYS  99          2HB       LYS  99 -12.186   7.496 -10.949
  708   1HG   LYS  99          1HG       LYS  99 -12.564   4.891 -11.337
  709   2HG   LYS  99          2HG       LYS  99 -14.191   5.232 -10.783
  710   1HD   LYS  99          1HD       LYS  99 -14.392   7.026 -12.538
  711   2HD   LYS  99          2HD       LYS  99 -12.784   6.628 -13.109
  712   1HE   LYS  99          1HE       LYS  99 -13.539   4.825 -14.281
  713   2HE   LYS  99          2HE       LYS  99 -14.443   4.215 -12.908
  714   1HZ   LYS  99          1HZ       LYS  99 -15.396   6.475 -14.513
  715   2HZ   LYS  99          2HZ       LYS  99 -15.765   4.928 -14.879
  716   3HZ   LYS  99          3HZ       LYS  99 -16.248   5.568 -13.456
  717    H    LYS 100           H        LYS 100 -10.332   5.951  -7.185
  718    HA   LYS 100           HA       LYS 100  -8.347   7.786  -7.996
  719   1HB   LYS 100          1HB       LYS 100  -8.874   9.281  -5.860
  720   2HB   LYS 100          2HB       LYS 100  -9.517   9.655  -7.447
  721   1HG   LYS 100          1HG       LYS 100 -11.602   8.333  -6.854
  722   2HG   LYS 100          2HG       LYS 100 -10.962   8.118  -5.237
  723   1HD   LYS 100          1HD       LYS 100 -12.389  10.016  -5.053
  724   2HD   LYS 100          2HD       LYS 100 -10.776  10.696  -5.116
  725   1HE   LYS 100          1HE       LYS 100 -11.039  11.123  -7.563
  726   2HE   LYS 100          2HE       LYS 100 -12.642  10.416  -7.521
  727   1HZ   LYS 100          1HZ       LYS 100 -12.305  12.427  -5.552
  728   2HZ   LYS 100          2HZ       LYS 100 -12.047  13.003  -7.058
  729   3HZ   LYS 100          3HZ       LYS 100 -13.464  12.278  -6.693
  730    H    LEU 101           H        LEU 101 -10.032   6.217  -5.204
  731    HA   LEU 101           HA       LEU 101  -7.457   5.734  -3.963
  732   1HB   LEU 101          1HB       LEU 101 -10.237   5.002  -3.036
  733   2HB   LEU 101          2HB       LEU 101  -8.762   4.906  -2.095
  734    HG   LEU 101           HG       LEU 101 -10.283   7.351  -2.976
  735   1HD1  LEU 101          1HD1      LEU 101 -10.689   6.074  -0.780
  736   2HD1  LEU 101          2HD1      LEU 101  -9.134   6.761  -0.254
  737   3HD1  LEU 101          3HD1      LEU 101 -10.477   7.839  -0.703
  738   1HD2  LEU 101          1HD2      LEU 101  -7.943   7.746  -3.601
  739   2HD2  LEU 101          2HD2      LEU 101  -8.449   8.775  -2.240
  740   3HD2  LEU 101          3HD2      LEU 101  -7.433   7.343  -1.944
  741    H    THR 102           H        THR 102 -10.002   4.082  -5.821
  742    HA   THR 102           HA       THR 102  -8.336   1.652  -5.718
  743    HB   THR 102           HB       THR 102 -10.379   0.347  -5.687
  744    HG1  THR 102           HG1      THR 102 -11.636   1.630  -7.141
  745   1HG2  THR 102          1HG2      THR 102 -10.735   2.814  -3.906
  746   2HG2  THR 102          2HG2      THR 102 -11.728   1.342  -3.781
  747   3HG2  THR 102          3HG2      THR 102  -9.983   1.271  -3.435
  748    H    GLY 103           H        GLY 103  -8.672   4.203  -7.547
  749   1HA   GLY 103          2HA       GLY 103  -8.703   4.649  -9.757
  750   2HA   GLY 103          1HA       GLY 103  -9.661   3.205 -10.018
  751    H    CYS 104           H        CYS 104  -8.665   2.002 -11.585
  752    HA   CYS 104           HA       CYS 104  -6.114   0.905 -11.013
  753   1HB   CYS 104          1HB       CYS 104  -8.246   0.513 -13.003
  754   2HB   CYS 104          2HB       CYS 104  -6.630   0.230 -13.618
  755    H    LYS 105           H        LYS 105  -7.482   3.125 -13.551
  756    HA   LYS 105           HA       LYS 105  -4.740   4.096 -13.974
  757   1HB   LYS 105          1HB       LYS 105  -5.520   2.824 -15.905
  758   2HB   LYS 105          2HB       LYS 105  -6.980   3.788 -15.995
  759   1HG   LYS 105          2HG       LYS 105  -5.438   4.694 -17.624
  760   2HG   LYS 105          1HG       LYS 105  -5.530   5.852 -16.311
  761   1HD   LYS 105          2HD       LYS 105  -3.278   5.722 -16.099
  762   2HD   LYS 105          1HD       LYS 105  -3.460   4.067 -15.554
  763   1HE   LYS 105          1HE       LYS 105  -1.930   4.096 -17.463
  764   2HE   LYS 105          2HE       LYS 105  -3.409   3.289 -17.945
  765   1HZ   LYS 105          1HZ       LYS 105  -3.787   5.957 -18.450
  766   2HZ   LYS 105          2HZ       LYS 105  -2.282   5.626 -18.988
  767   3HZ   LYS 105          3HZ       LYS 105  -3.555   4.770 -19.547
  768    H    GLY 106           H        GLY 106  -4.390   6.249 -13.656
  769   1HA   GLY 106          2HA       GLY 106  -6.493   8.178 -13.923
  770   2HA   GLY 106          1HA       GLY 106  -4.845   8.452 -13.394
  771    H    SER 107           H        SER 107  -4.662   6.662 -11.184
  772    HA   SER 107           HA       SER 107  -6.758   7.714  -9.451
  773   1HB   SER 107          1HB       SER 107  -6.198   5.780  -7.944
  774   2HB   SER 107          2HB       SER 107  -6.819   5.290  -9.508
  775    HG   SER 107           HG       SER 107  -4.896   4.085  -8.782
  776    H    ALA 108           H        ALA 108  -5.851   7.784  -7.002
  777    HA   ALA 108           HA       ALA 108  -3.765   9.698  -7.045
  778   1HB   ALA 108          1HB       ALA 108  -4.730  10.203  -5.081
  779   2HB   ALA 108          3HB       ALA 108  -5.821   8.814  -5.293
  780   3HB   ALA 108          2HB       ALA 108  -4.285   8.613  -4.417
  781    H    CYS 109           H        CYS 109  -3.741   6.328  -7.338
  782    HA   CYS 109           HA       CYS 109  -1.193   6.100  -5.933
  783   1HB   CYS 109          1HB       CYS 109  -3.136   3.998  -6.930
  784   2HB   CYS 109          2HB       CYS 109  -1.536   3.617  -6.326
  785    H    HIS 110           H        HIS 110  -2.891   5.523  -9.080
  786    HA   HIS 110           HA       HIS 110  -0.246   5.499 -10.342
  787   1HB   HIS 110          1HB       HIS 110  -2.782   4.083 -11.210
  788   2HB   HIS 110          2HB       HIS 110  -1.299   4.143 -12.141
  789    HD1  HIS 110           HD1      HIS 110   0.880   3.409 -10.237
  790    HD2  HIS 110           HD2      HIS 110  -2.911   1.624 -10.056
  791    HE1  HIS 110           HE1      HIS 110   1.194   1.187  -9.024
  792    HA   PRO 111           HA       PRO 111  -2.327   9.185 -11.977
  793   1HB   PRO 111          1HB       PRO 111  -0.505  11.040 -11.271
  794   2HB   PRO 111          2HB       PRO 111  -1.565  10.290 -10.032
  795   1HG   PRO 111          1HG       PRO 111   1.062   9.622 -11.005
  796   2HG   PRO 111          2HG       PRO 111   0.963   9.619  -9.213
  797   1HD   PRO 111          1HD       PRO 111   0.955   7.291 -10.591
  798   2HD   PRO 111          2HD       PRO 111  -0.176   7.508  -9.221
  799    H    SER 112           H        SER 112  -1.676   7.720 -13.982
  800    HA   SER 112           HA       SER 112   0.151   9.321 -15.483
  801   1HB   SER 112          1HB       SER 112   1.108   6.931 -14.265
  802   2HB   SER 112          2HB       SER 112   0.886   6.542 -15.959
  803    HG   SER 112           HG       SER 112   2.750   8.245 -14.740

  No H/Q in entry =         803
  Start of MODEL   16
    1    H1   VAL   1           H1       VAL   1   8.211   8.966  17.172
    2    H2   VAL   1           H2       VAL   1   8.801   7.478  17.597
    3    H3   VAL   1           H3       VAL   1   9.522   8.851  18.176
    4    HA   VAL   1           HA       VAL   1  10.939   8.680  16.588
    5    HB   VAL   1           HB       VAL   1  10.567   6.420  16.186
    6   1HG1  VAL   1          1HG1      VAL   1   7.825   7.232  15.788
    7   2HG1  VAL   1          2HG1      VAL   1   8.352   6.183  14.449
    8   3HG1  VAL   1          3HG1      VAL   1   8.487   5.616  16.131
    9   1HG2  VAL   1          1HG2      VAL   1  11.593   7.624  14.266
   10   2HG2  VAL   1          2HG2      VAL   1  10.732   6.143  13.783
   11   3HG2  VAL   1          3HG2      VAL   1   9.985   7.735  13.512
   12    H    ASP   2           H        ASP   2   7.814   9.937  16.403
   13    HA   ASP   2           HA       ASP   2   6.921  11.575  15.301
   14   1HB   ASP   2          1HB       ASP   2   9.831  12.007  14.805
   15   2HB   ASP   2          2HB       ASP   2   8.774  12.805  13.656
   16    H    VAL   3           H        VAL   3   5.514  10.970  13.647
   17    HA   VAL   3           HA       VAL   3   6.135   9.161  11.658
   18    HB   VAL   3           HB       VAL   3   3.897  10.191  12.614
   19   1HG1  VAL   3          1HG1      VAL   3   4.320  12.438  11.630
   20   2HG1  VAL   3          2HG1      VAL   3   4.216  11.715  10.007
   21   3HG1  VAL   3          3HG1      VAL   3   2.794  11.708  11.078
   22   1HG2  VAL   3          1HG2      VAL   3   4.264   9.134   9.792
   23   2HG2  VAL   3          2HG2      VAL   3   3.984   8.183  11.270
   24   3HG2  VAL   3          3HG2      VAL   3   2.702   9.244  10.639
   25    HA   PRO   4           HA       PRO   4   9.042  11.256   9.098
   26   1HB   PRO   4          2HB       PRO   4   7.619   9.503   7.065
   27   2HB   PRO   4          1HB       PRO   4   9.369   9.756   7.366
   28   1HG   PRO   4          1HG       PRO   4   8.315   7.494   8.470
   29   2HG   PRO   4          2HG       PRO   4   9.547   8.554   9.229
   30   1HD   PRO   4          2HD       PRO   4   6.554   8.321   9.748
   31   2HD   PRO   4          1HD       PRO   4   7.885   8.591  10.913
   32    H    ALA   5           H        ALA   5   8.945  12.662   7.070
   33    HA   ALA   5           HA       ALA   5   6.439  14.100   7.095
   34   1HB   ALA   5          1HB       ALA   5   7.958  15.753   6.902
   35   2HB   ALA   5          2HB       ALA   5   9.250  14.608   6.469
   36   3HB   ALA   5          3HB       ALA   5   8.166  15.244   5.209
   37    H    ASP   6           H        ASP   6   5.166  14.526   5.183
   38    HA   ASP   6           HA       ASP   6   4.662  12.303   3.689
   39   1HB   ASP   6          2HB       ASP   6   3.076  13.622   2.578
   40   2HB   ASP   6          1HB       ASP   6   3.317  14.538   4.052
   41    H    GLY   7           H        GLY   7   4.505  13.245   0.948
   42   1HA   GLY   7          2HA       GLY   7   6.970  14.276   0.004
   43   2HA   GLY   7          1HA       GLY   7   5.707  13.508  -0.938
   44    H    ALA   8           H        ALA   8   5.780  11.023   0.833
   45    HA   ALA   8           HA       ALA   8   8.434   9.985   0.460
   46   1HB   ALA   8          1HB       ALA   8   5.988   9.311   1.910
   47   2HB   ALA   8          2HB       ALA   8   6.686   7.888   1.099
   48   3HB   ALA   8          3HB       ALA   8   7.671   8.835   2.240
   49    H    LYS   9           H        LYS   9   9.130   8.542  -1.120
   50    HA   LYS   9           HA       LYS   9   7.170   8.033  -3.250
   51   1HB   LYS   9          1HB       LYS   9  10.134   8.629  -3.410
   52   2HB   LYS   9          2HB       LYS   9   9.214   7.977  -4.751
   53   1HG   LYS   9          1HG       LYS   9   8.233  10.463  -3.314
   54   2HG   LYS   9          2HG       LYS   9   9.501  10.594  -4.516
   55   1HD   LYS   9          1HD       LYS   9   7.586   8.949  -5.760
   56   2HD   LYS   9          2HD       LYS   9   6.615  10.120  -4.889
   57   1HE   LYS   9          2HE       LYS   9   8.815  10.723  -6.918
   58   2HE   LYS   9          1HE       LYS   9   7.097  11.002  -7.122
   59   1HZ   LYS   9          1HZ       LYS   9   8.049  12.246  -4.781
   60   2HZ   LYS   9          2HZ       LYS   9   8.907  12.741  -6.079
   61   3HZ   LYS   9          3HZ       LYS   9   7.283  12.910  -6.062
   62    H    ILE  10           H        ILE  10   6.845   5.937  -3.896
   63    HA   ILE  10           HA       ILE  10   8.554   3.946  -2.572
   64    HB   ILE  10           HB       ILE  10   5.645   3.677  -3.335
   65   1HG1  ILE  10          1HG1      ILE  10   6.624   3.853  -0.500
   66   2HG1  ILE  10          2HG1      ILE  10   6.360   5.326  -1.412
   67   1HG2  ILE  10          1HG2      ILE  10   7.066   1.594  -3.306
   68   2HG2  ILE  10          2HG2      ILE  10   7.314   1.879  -1.566
   69   3HG2  ILE  10          3HG2      ILE  10   5.674   1.594  -2.197
   70   1HD1  ILE  10          1HD1      ILE  10   4.268   3.121  -1.149
   71   2HD1  ILE  10          2HD1      ILE  10   4.343   4.550  -0.091
   72   3HD1  ILE  10          3HD1      ILE  10   4.031   4.747  -1.833
   73    H    ASP  11           H        ASP  11   9.725   2.643  -3.882
   74    HA   ASP  11           HA       ASP  11   8.687   1.933  -6.429
   75   1HB   ASP  11          1HB       ASP  11   9.640   3.973  -7.208
   76   2HB   ASP  11          2HB       ASP  11  11.017   3.850  -6.132
   77    H    PHE  12           H        PHE  12   8.972  -0.235  -5.588
   78    HA   PHE  12           HA       PHE  12  11.766  -0.969  -5.061
   79   1HB   PHE  12          1HB       PHE  12   9.096  -2.239  -4.201
   80   2HB   PHE  12          2HB       PHE  12  10.674  -2.832  -3.725
   81    HD1  PHE  12           HD1      PHE  12  12.056  -0.287  -3.069
   82    HD2  PHE  12           HD2      PHE  12   8.112  -1.587  -2.194
   83    HE1  PHE  12           HE1      PHE  12  12.010   1.209  -1.054
   84    HE2  PHE  12           HE2      PHE  12   8.066  -0.090  -0.179
   85    HZ   PHE  12           HZ       PHE  12  10.016   1.290   0.366
   86    H    ILE  13           H        ILE  13   8.844  -1.521  -6.967
   87    HA   ILE  13           HA       ILE  13  10.021  -3.929  -8.124
   88    HB   ILE  13           HB       ILE  13   7.274  -2.697  -8.344
   89   1HG1  ILE  13          1HG1      ILE  13   8.143  -5.287  -7.031
   90   2HG1  ILE  13          2HG1      ILE  13   7.903  -3.783  -6.165
   91   1HG2  ILE  13          1HG2      ILE  13   8.558  -4.981  -9.808
   92   2HG2  ILE  13          2HG2      ILE  13   6.821  -5.032  -9.422
   93   3HG2  ILE  13          3HG2      ILE  13   7.475  -3.703 -10.410
   94   1HD1  ILE  13          1HD1      ILE  13   5.556  -3.949  -7.630
   95   2HD1  ILE  13          2HD1      ILE  13   5.898  -5.659  -7.275
   96   3HD1  ILE  13          3HD1      ILE  13   5.744  -4.488  -5.944
   97    H    ALA  14           H        ALA  14  11.649  -3.281  -9.500
   98    HA   ALA  14           HA       ALA  14  11.523  -0.945 -11.044
   99   1HB   ALA  14          1HB       ALA  14  13.181  -3.064 -12.176
  100   2HB   ALA  14          2HB       ALA  14  13.664  -1.519 -11.435
  101   3HB   ALA  14          3HB       ALA  14  13.385  -2.948 -10.411
  102    H    GLY  15           H        GLY  15  11.678  -1.043 -13.558
  103   1HA   GLY  15          2HA       GLY  15   9.356  -1.491 -14.744
  104   2HA   GLY  15          1HA       GLY  15   9.999  -3.121 -14.732
  105    H    GLY  16           H        GLY  16   9.454  -1.572 -17.119
  106   1HA   GLY  16          2HA       GLY  16  10.446  -1.343 -19.138
  107   2HA   GLY  16          1HA       GLY  16  11.961  -1.896 -18.453
  108    H    GLU  17           H        GLU  17  13.272  -0.318 -17.144
  109    HA   GLU  17           HA       GLU  17  14.380   1.558 -17.102
  110   1HB   GLU  17          1HB       GLU  17  12.932   1.816 -19.624
  111   2HB   GLU  17          2HB       GLU  17  13.124   3.387 -18.871
  112   1HG   GLU  17          1HG       GLU  17  15.333   1.395 -19.549
  113   2HG   GLU  17          2HG       GLU  17  15.075   2.970 -20.274
  114    H    LYS  18           H        LYS  18  10.843   2.214 -17.607
  115    HA   LYS  18           HA       LYS  18  10.915   4.431 -15.799
  116   1HB   LYS  18          2HB       LYS  18   8.547   4.601 -16.260
  117   2HB   LYS  18          1HB       LYS  18   9.425   4.369 -17.758
  118   1HG   LYS  18          1HG       LYS  18   8.516   2.282 -18.135
  119   2HG   LYS  18          2HG       LYS  18   8.544   1.844 -16.438
  120   1HD   LYS  18          2HD       LYS  18   6.268   2.111 -16.599
  121   2HD   LYS  18          1HD       LYS  18   6.648   3.803 -16.345
  122   1HE   LYS  18          1HE       LYS  18   6.905   3.929 -18.953
  123   2HE   LYS  18          2HE       LYS  18   6.070   2.389 -18.975
  124   1HZ   LYS  18          1HZ       LYS  18   5.010   4.743 -17.582
  125   2HZ   LYS  18          2HZ       LYS  18   4.635   4.381 -19.130
  126   3HZ   LYS  18          3HZ       LYS  18   4.220   3.356 -17.928
  127    H    ASN  19           H        ASN  19   8.513   4.027 -14.327
  128    HA   ASN  19           HA       ASN  19   8.407   1.617 -13.016
  129   1HB   ASN  19          1HB       ASN  19   9.602   2.006 -10.938
  130   2HB   ASN  19          2HB       ASN  19  10.735   2.349 -12.230
  131   2HD2  ASN  19          2HD2      ASN  19  10.221   4.762 -13.116
  132   1HD2  ASN  19          1HD2      ASN  19  10.346   5.983 -11.894
  133    H    LEU  20           H        LEU  20   6.443   1.690 -11.856
  134    HA   LEU  20           HA       LEU  20   5.040   4.174 -11.821
  135   1HB   LEU  20          1HB       LEU  20   4.372   1.392 -10.862
  136   2HB   LEU  20          2HB       LEU  20   3.273   2.749 -10.719
  137    HG   LEU  20           HG       LEU  20   4.262   1.392 -13.225
  138   1HD1  LEU  20          1HD1      LEU  20   2.029   0.985 -11.668
  139   2HD1  LEU  20          2HD1      LEU  20   1.421   2.056 -12.953
  140   3HD1  LEU  20          3HD1      LEU  20   2.212   0.518 -13.376
  141   1HD2  LEU  20          1HD2      LEU  20   3.346   4.202 -12.890
  142   2HD2  LEU  20          2HD2      LEU  20   4.447   3.480 -14.089
  143   3HD2  LEU  20          3HD2      LEU  20   2.687   3.288 -14.268
  144    H    THR  21           H        THR  21   6.161   5.614 -10.466
  145    HA   THR  21           HA       THR  21   6.768   4.780  -7.763
  146    HB   THR  21           HB       THR  21   6.964   7.638  -8.674
  147    HG1  THR  21           HG1      THR  21   8.598   5.397  -9.633
  148   1HG2  THR  21          1HG2      THR  21   8.509   5.652  -7.040
  149   2HG2  THR  21          2HG2      THR  21   9.484   6.789  -8.002
  150   3HG2  THR  21          3HG2      THR  21   8.321   7.406  -6.803
  151    H    VAL  22           H        VAL  22   5.268   4.664  -6.224
  152    HA   VAL  22           HA       VAL  22   2.942   6.413  -6.491
  153    HB   VAL  22           HB       VAL  22   3.499   3.889  -4.934
  154   1HG1  VAL  22          1HG1      VAL  22   1.362   5.943  -4.577
  155   2HG1  VAL  22          2HG1      VAL  22   0.879   4.231  -4.503
  156   3HG1  VAL  22          3HG1      VAL  22   2.120   4.854  -3.390
  157   1HG2  VAL  22          1HG2      VAL  22   1.764   4.600  -7.303
  158   2HG2  VAL  22          2HG2      VAL  22   2.992   3.319  -7.154
  159   3HG2  VAL  22          3HG2      VAL  22   1.436   3.164  -6.303
  160    H    VAL  23           H        VAL  23   2.271   7.789  -4.772
  161    HA   VAL  23           HA       VAL  23   4.454   8.380  -2.900
  162    HB   VAL  23           HB       VAL  23   2.241  10.118  -4.009
  163   1HG1  VAL  23          1HG1      VAL  23   4.291  10.579  -1.855
  164   2HG1  VAL  23          2HG1      VAL  23   3.747  11.934  -2.873
  165   3HG1  VAL  23          3HG1      VAL  23   2.568  11.024  -1.897
  166   1HG2  VAL  23          1HG2      VAL  23   4.765   9.402  -5.082
  167   2HG2  VAL  23          2HG2      VAL  23   3.632  10.643  -5.670
  168   3HG2  VAL  23          3HG2      VAL  23   4.907  11.082  -4.509
  169    H    PHE  24           H        PHE  24   3.937   8.786  -0.673
  170    HA   PHE  24           HA       PHE  24   1.216   8.122   0.119
  171   1HB   PHE  24          1HB       PHE  24   2.581   6.006   0.122
  172   2HB   PHE  24          2HB       PHE  24   3.833   6.800   1.056
  173    HD1  PHE  24           HD1      PHE  24   0.133   6.299   1.331
  174    HD2  PHE  24           HD2      PHE  24   3.905   6.217   3.274
  175    HE1  PHE  24           HE1      PHE  24  -0.977   5.550   3.454
  176    HE2  PHE  24           HE2      PHE  24   2.795   5.468   5.397
  177    HZ   PHE  24           HZ       PHE  24   0.367   5.144   5.462
  178    H    ASN  25           H        ASN  25   0.517   9.363   1.825
  179    HA   ASN  25           HA       ASN  25   2.597  10.942   3.118
  180   1HB   ASN  25          1HB       ASN  25  -0.211  11.870   3.412
  181   2HB   ASN  25          2HB       ASN  25   1.217  12.788   2.977
  182   2HD2  ASN  25          2HD2      ASN  25  -1.560  12.605   1.876
  183   1HD2  ASN  25          1HD2      ASN  25  -1.385  12.329   0.175
  184    H    HIS  26           H        HIS  26   2.842  10.547   5.331
  185    HA   HIS  26           HA       HIS  26   1.136   8.647   6.572
  186   1HB   HIS  26          1HB       HIS  26   3.639  10.102   7.231
  187   2HB   HIS  26          2HB       HIS  26   2.665   9.597   8.597
  188    HD1  HIS  26           HD1      HIS  26   4.639   8.202   5.685
  189    HD2  HIS  26           HD2      HIS  26   2.629   6.836   9.105
  190    HE1  HIS  26           HE1      HIS  26   5.282   5.748   5.960
  191    H    SER  27           H        SER  27   1.057  12.071   6.107
  192    HA   SER  27           HA       SER  27  -0.442  12.523   8.516
  193   1HB   SER  27          2HB       SER  27  -0.511  14.889   7.717
  194   2HB   SER  27          1HB       SER  27   1.122  14.259   7.810
  195    HG   SER  27           HG       SER  27   1.165  13.987   5.542
  196    H    THR  28           H        THR  28  -1.265  10.803   5.998
  197    HA   THR  28           HA       THR  28  -3.829  12.172   5.512
  198    HB   THR  28           HB       THR  28  -2.230  10.173   3.828
  199    HG1  THR  28           HG1      THR  28  -3.081  12.961   3.490
  200   1HG2  THR  28          1HG2      THR  28  -4.924  10.301   3.708
  201   2HG2  THR  28          2HG2      THR  28  -4.565  11.794   2.806
  202   3HG2  THR  28          3HG2      THR  28  -3.941  10.231   2.226
  203    H    HIS  29           H        HIS  29  -2.203   9.148   6.496
  204    HA   HIS  29           HA       HIS  29  -4.845   8.008   6.987
  205   1HB   HIS  29          1HB       HIS  29  -2.117   6.689   6.928
  206   2HB   HIS  29          2HB       HIS  29  -3.636   5.866   7.219
  207    HD1  HIS  29           HD1      HIS  29  -1.798   7.755   4.468
  208    HD2  HIS  29           HD2      HIS  29  -5.045   5.143   4.943
  209    HE1  HIS  29           HE1      HIS  29  -2.529   7.090   2.116
  210    H    LYS  30           H        LYS  30  -3.476  10.202   8.576
  211    HA   LYS  30           HA       LYS  30  -2.404   9.197  10.922
  212   1HB   LYS  30          1HB       LYS  30  -2.806  11.377  11.836
  213   2HB   LYS  30          2HB       LYS  30  -2.329  11.561  10.160
  214   1HG   LYS  30          1HG       LYS  30  -4.755  11.747   9.512
  215   2HG   LYS  30          2HG       LYS  30  -5.202  11.618  11.201
  216   1HD   LYS  30          1HD       LYS  30  -3.172  13.720  10.486
  217   2HD   LYS  30          2HD       LYS  30  -4.823  14.004   9.972
  218   1HE   LYS  30          1HE       LYS  30  -5.469  13.387  12.448
  219   2HE   LYS  30          2HE       LYS  30  -3.773  13.650  12.801
  220   1HZ   LYS  30          1HZ       LYS  30  -4.100  15.840  11.622
  221   2HZ   LYS  30          2HZ       LYS  30  -5.707  15.578  11.757
  222   3HZ   LYS  30          3HZ       LYS  30  -4.782  15.692  13.098
  223    H    ASP  31           H        ASP  31  -5.659   9.074   9.668
  224    HA   ASP  31           HA       ASP  31  -6.826   8.756  12.252
  225   1HB   ASP  31          1HB       ASP  31  -8.285   9.733  10.660
  226   2HB   ASP  31          2HB       ASP  31  -7.792   8.634   9.387
  227    H    VAL  32           H        VAL  32  -4.848   6.867  10.332
  228    HA   VAL  32           HA       VAL  32  -6.230   4.379  11.063
  229    HB   VAL  32           HB       VAL  32  -4.214   4.918   8.873
  230   1HG1  VAL  32          1HG1      VAL  32  -5.101   2.464  10.136
  231   2HG1  VAL  32          2HG1      VAL  32  -5.546   2.485   8.413
  232   3HG1  VAL  32          3HG1      VAL  32  -3.849   2.716   8.896
  233   1HG2  VAL  32          1HG2      VAL  32  -7.219   4.520   8.803
  234   2HG2  VAL  32          2HG2      VAL  32  -6.289   5.936   8.256
  235   3HG2  VAL  32          3HG2      VAL  32  -6.173   4.397   7.368
  236    H    LYS  33           H        LYS  33  -5.297   3.130  12.607
  237    HA   LYS  33           HA       LYS  33  -3.188   3.998  14.118
  238   1HB   LYS  33          1HB       LYS  33  -4.097   1.135  13.692
  239   2HB   LYS  33          2HB       LYS  33  -3.150   1.725  15.043
  240   1HG   LYS  33          1HG       LYS  33  -5.242   3.491  15.144
  241   2HG   LYS  33          2HG       LYS  33  -6.061   2.105  14.453
  242   1HD   LYS  33          1HD       LYS  33  -5.398   0.681  16.322
  243   2HD   LYS  33          2HD       LYS  33  -4.325   1.914  16.954
  244   1HE   LYS  33          1HE       LYS  33  -6.034   3.075  17.957
  245   2HE   LYS  33          2HE       LYS  33  -7.113   2.865  16.592
  246   1HZ   LYS  33          1HZ       LYS  33  -6.730   0.381  17.741
  247   2HZ   LYS  33          2HZ       LYS  33  -7.046   1.418  18.962
  248   3HZ   LYS  33          3HZ       LYS  33  -8.097   1.274  17.721
  249    H    CYS  34           H        CYS  34  -0.975   3.092  14.382
  250    HA   CYS  34           HA       CYS  34   0.337   3.119  11.874
  251   1HB   CYS  34          1HB       CYS  34   1.574   2.367  14.519
  252   2HB   CYS  34          2HB       CYS  34   2.364   3.033  13.103
  253    H    ASP  35           H        ASP  35  -0.524   0.665  14.373
  254    HA   ASP  35           HA       ASP  35   0.918  -1.411  13.208
  255   1HB   ASP  35          1HB       ASP  35  -0.599  -2.874  14.598
  256   2HB   ASP  35          2HB       ASP  35   0.166  -1.585  15.506
  257    H    ASP  36           H        ASP  36  -1.799   0.341  12.133
  258    HA   ASP  36           HA       ASP  36  -3.428  -1.678  11.151
  259   1HB   ASP  36          1HB       ASP  36  -3.762   0.939  11.372
  260   2HB   ASP  36          2HB       ASP  36  -3.068   0.998   9.764
  261    H    CYS  37           H        CYS  37  -0.299  -0.465  10.211
  262    HA   CYS  37           HA       CYS  37  -0.506  -1.951   7.700
  263   1HB   CYS  37          1HB       CYS  37   0.819   0.749   8.095
  264   2HB   CYS  37          2HB       CYS  37   1.082  -0.270   6.694
  265    H    HIS  38           H        HIS  38   1.621  -0.440  10.224
  266    HA   HIS  38           HA       HIS  38   3.788  -2.178   9.574
  267   1HB   HIS  38          1HB       HIS  38   3.373  -0.298  11.915
  268   2HB   HIS  38          2HB       HIS  38   4.874  -1.114  11.525
  269    HD1  HIS  38           HD1      HIS  38   5.883  -0.480   9.025
  270    HD2  HIS  38           HD2      HIS  38   3.074   2.145  10.704
  271    HE1  HIS  38           HE1      HIS  38   6.123   1.725   7.765
  272    H    HIS  39           H        HIS  39   2.726  -4.275   9.752
  273    HA   HIS  39           HA       HIS  39   1.932  -4.991  12.455
  274   1HB   HIS  39          1HB       HIS  39   0.760  -6.773  11.538
  275   2HB   HIS  39          2HB       HIS  39   0.543  -5.494  10.360
  276    HD1  HIS  39           HD1      HIS  39   1.441  -8.976  10.582
  277    HD2  HIS  39           HD2      HIS  39   2.574  -5.773   8.121
  278    HE1  HIS  39           HE1      HIS  39   2.477 -10.012   8.493
  279    H    GLN  40           H        GLN  40   4.594  -4.417  12.426
  280    HA   GLN  40           HA       GLN  40   5.863  -7.024  12.146
  281   1HB   GLN  40          1HB       GLN  40   6.853  -4.194  11.885
  282   2HB   GLN  40          2HB       GLN  40   7.985  -5.402  12.461
  283   1HG   GLN  40          1HG       GLN  40   7.837  -5.002   9.890
  284   2HG   GLN  40          2HG       GLN  40   7.879  -6.660  10.458
  285   2HE2  GLN  40          2HE2      GLN  40   6.049  -7.937  10.407
  286   1HE2  GLN  40          1HE2      GLN  40   4.640  -7.547   9.478
  287    HA   PRO  41           HA       PRO  41   6.154  -7.071  16.562
  288   1HB   PRO  41          1HB       PRO  41   7.367  -9.432  16.891
  289   2HB   PRO  41          2HB       PRO  41   5.785  -9.364  16.048
  290   1HG   PRO  41          1HG       PRO  41   8.560  -9.309  14.765
  291   2HG   PRO  41          2HG       PRO  41   7.258 -10.449  14.292
  292   1HD   PRO  41          1HD       PRO  41   7.720  -8.105  12.939
  293   2HD   PRO  41          2HD       PRO  41   6.060  -8.728  13.181
  294    H    GLY  42           H        GLY  42   7.804  -6.812  18.265
  295   1HA   GLY  42          2HA       GLY  42  10.575  -6.625  17.363
  296   2HA   GLY  42          1HA       GLY  42   9.981  -6.578  19.011
  297    H    ASP  43           H        ASP  43  11.579  -4.675  19.045
  298    HA   ASP  43           HA       ASP  43  10.171  -2.340  19.202
  299   1HB   ASP  43          1HB       ASP  43  12.986  -3.205  19.355
  300   2HB   ASP  43          2HB       ASP  43  12.844  -1.573  18.732
  301    H    LYS  44           H        LYS  44  11.534  -4.010  16.455
  302    HA   LYS  44           HA       LYS  44  11.744  -1.613  14.840
  303   1HB   LYS  44          1HB       LYS  44  13.435  -3.437  14.708
  304   2HB   LYS  44          2HB       LYS  44  12.197  -4.521  14.107
  305   1HG   LYS  44          2HG       LYS  44  13.016  -3.768  12.075
  306   2HG   LYS  44          1HG       LYS  44  11.796  -2.538  12.338
  307   1HD   LYS  44          1HD       LYS  44  13.380  -0.919  12.397
  308   2HD   LYS  44          2HD       LYS  44  14.198  -1.721  13.722
  309   1HE   LYS  44          1HE       LYS  44  14.634  -3.060  11.113
  310   2HE   LYS  44          2HE       LYS  44  15.215  -1.406  11.140
  311   1HZ   LYS  44          1HZ       LYS  44  15.843  -3.153  13.380
  312   2HZ   LYS  44          2HZ       LYS  44  16.693  -3.306  11.995
  313   3HZ   LYS  44          3HZ       LYS  44  16.685  -1.882  12.795
  314    H    GLN  45           H        GLN  45   9.182  -1.840  15.870
  315    HA   GLN  45           HA       GLN  45   7.416  -3.356  14.458
  316   1HB   GLN  45          1HB       GLN  45   6.999  -1.869  16.501
  317   2HB   GLN  45          2HB       GLN  45   6.885  -0.509  15.403
  318   1HG   GLN  45          1HG       GLN  45   5.198  -2.376  14.201
  319   2HG   GLN  45          2HG       GLN  45   4.943  -2.694  15.906
  320   2HE2  GLN  45          2HE2      GLN  45   2.775  -1.916  15.227
  321   1HE2  GLN  45          1HE2      GLN  45   2.425  -0.224  15.350
  322    H    TYR  46           H        TYR  46   9.194  -0.512  13.529
  323    HA   TYR  46           HA       TYR  46   7.641  -0.309  10.996
  324   1HB   TYR  46          1HB       TYR  46   9.629   1.695  12.080
  325   2HB   TYR  46          2HB       TYR  46   8.383   1.938  10.844
  326    HD1  TYR  46           HD1      TYR  46   6.005   2.140  11.479
  327    HD2  TYR  46           HD2      TYR  46   9.109   1.810  14.431
  328    HE1  TYR  46           HE1      TYR  46   4.434   2.945  13.222
  329    HE2  TYR  46           HE2      TYR  46   7.538   2.615  16.173
  330    HH   TYR  46           HH       TYR  46   4.183   2.805  15.763
  331    H    ALA  47           H        ALA  47   8.607  -1.769   9.555
  332    HA   ALA  47           HA       ALA  47  11.430  -1.240   9.029
  333   1HB   ALA  47          1HB       ALA  47  10.232  -3.750  10.070
  334   2HB   ALA  47          3HB       ALA  47  11.907  -3.157  10.163
  335   3HB   ALA  47          2HB       ALA  47  11.324  -3.947   8.678
  336    H    GLY  48           H        GLY  48  11.974  -2.715   6.908
  337   1HA   GLY  48          2HA       GLY  48  11.662  -2.747   4.675
  338   2HA   GLY  48          1HA       GLY  48  10.304  -1.655   4.867
  339    H    CYS  49           H        CYS  49   8.708  -2.619   3.628
  340    HA   CYS  49           HA       CYS  49   7.508  -4.953   4.709
  341   1HB   CYS  49          2HB       CYS  49   6.813  -3.650   2.080
  342   2HB   CYS  49          1HB       CYS  49   5.787  -4.625   3.113
  343    H    THR  50           H        THR  50   9.795  -4.129   2.128
  344    HA   THR  50           HA       THR  50   9.548  -6.785   0.941
  345    HB   THR  50           HB       THR  50  11.081  -5.766  -0.770
  346    HG1  THR  50           HG1      THR  50  11.907  -3.703  -0.272
  347   1HG2  THR  50          1HG2      THR  50   8.577  -5.285  -0.919
  348   2HG2  THR  50          2HG2      THR  50   8.873  -3.790   0.002
  349   3HG2  THR  50          3HG2      THR  50   9.600  -4.002  -1.609
  350    H    THR  51           H        THR  51  10.575  -6.267   3.752
  351    HA   THR  51           HA       THR  51  13.388  -6.750   3.610
  352    HB   THR  51           HB       THR  51  11.374  -7.071   5.898
  353    HG1  THR  51           HG1      THR  51  11.765  -4.956   4.523
  354   1HG2  THR  51          1HG2      THR  51  14.405  -6.662   5.784
  355   2HG2  THR  51          2HG2      THR  51  13.435  -6.379   7.249
  356   3HG2  THR  51          3HG2      THR  51  13.536  -8.013   6.551
  357    H    ASP  52           H        ASP  52  14.502  -8.681   4.355
  358    HA   ASP  52           HA       ASP  52  13.726 -10.887   2.975
  359   1HB   ASP  52          1HB       ASP  52  15.903 -10.139   4.515
  360   2HB   ASP  52          2HB       ASP  52  15.228 -11.427   5.493
  361    H    GLY  53           H        GLY  53  12.928 -13.039   3.779
  362   1HA   GLY  53          2HA       GLY  53  12.029 -13.566   6.348
  363   2HA   GLY  53          1HA       GLY  53  11.452 -14.327   4.879
  364    H    CYS  54           H        CYS  54  10.615 -11.574   3.773
  365    HA   CYS  54           HA       CYS  54   8.082 -11.521   5.209
  366   1HB   CYS  54          2HB       CYS  54   9.504  -8.963   4.426
  367   2HB   CYS  54          1HB       CYS  54   8.017  -9.127   5.338
  368    H    HIS  55           H        HIS  55   7.929  -8.904   3.274
  369    HA   HIS  55           HA       HIS  55   6.929 -10.483   1.051
  370   1HB   HIS  55          2HB       HIS  55   6.604  -7.509   1.472
  371   2HB   HIS  55          1HB       HIS  55   5.654  -8.567   0.448
  372    HD1  HIS  55           HD1      HIS  55   4.102 -10.380   1.771
  373    HD2  HIS  55           HD2      HIS  55   5.645  -7.208   4.041
  374    HE1  HIS  55           HE1      HIS  55   2.714 -10.290   3.910
  375    H    ASN  56           H        ASN  56   9.614 -10.714   1.044
  376    HA   ASN  56           HA       ASN  56  10.709  -8.559  -0.504
  377   1HB   ASN  56          1HB       ASN  56  12.049  -9.761   1.277
  378   2HB   ASN  56          2HB       ASN  56  11.942 -11.237   0.338
  379   2HD2  ASN  56          2HD2      ASN  56  14.312  -9.901   1.133
  380   1HD2  ASN  56          1HD2      ASN  56  15.179  -9.403  -0.281
  381    H    ILE  57           H        ILE  57   8.864  -9.221  -2.185
  382    HA   ILE  57           HA       ILE  57  10.084 -11.118  -4.050
  383    HB   ILE  57           HB       ILE  57   7.130 -10.991  -3.446
  384   1HG1  ILE  57          1HG1      ILE  57   8.715 -11.947  -1.621
  385   2HG1  ILE  57          2HG1      ILE  57   7.285 -12.847  -2.086
  386   1HG2  ILE  57          1HG2      ILE  57   8.748 -12.231  -5.552
  387   2HG2  ILE  57          2HG2      ILE  57   7.657 -13.367  -4.723
  388   3HG2  ILE  57          3HG2      ILE  57   7.001 -11.898  -5.484
  389   1HD1  ILE  57          1HD1      ILE  57   9.713 -13.431  -3.717
  390   2HD1  ILE  57          2HD1      ILE  57   9.799 -13.924  -2.008
  391   3HD1  ILE  57          3HD1      ILE  57   8.495 -14.544  -3.048
  392    H    LEU  58           H        LEU  58  10.738  -9.873  -5.722
  393    HA   LEU  58           HA       LEU  58   9.051  -7.586  -6.418
  394   1HB   LEU  58          1HB       LEU  58  11.879  -8.195  -7.281
  395   2HB   LEU  58          2HB       LEU  58  10.986  -6.713  -7.557
  396    HG   LEU  58           HG       LEU  58  11.879  -7.772  -4.862
  397   1HD1  LEU  58          1HD1      LEU  58  13.060  -5.864  -6.814
  398   2HD1  LEU  58          2HD1      LEU  58  13.149  -5.430  -5.090
  399   3HD1  LEU  58          3HD1      LEU  58  13.844  -6.968  -5.658
  400   1HD2  LEU  58          1HD2      LEU  58   9.776  -5.967  -5.492
  401   2HD2  LEU  58          2HD2      LEU  58  10.427  -6.407  -3.895
  402   3HD2  LEU  58          3HD2      LEU  58  11.108  -5.023  -4.782
  403    H    ASP  59           H        ASP  59   7.450  -9.186  -7.307
  404    HA   ASP  59           HA       ASP  59   7.989  -9.460 -10.090
  405   1HB   ASP  59          1HB       ASP  59   8.689 -11.644  -8.615
  406   2HB   ASP  59          2HB       ASP  59   6.984 -11.990  -8.820
  407    H    LYS  60           H        LYS  60   6.046  -8.827 -11.046
  408    HA   LYS  60           HA       LYS  60   3.671  -8.815  -9.394
  409   1HB   LYS  60          1HB       LYS  60   4.025  -7.757 -12.210
  410   2HB   LYS  60          2HB       LYS  60   2.741  -7.375 -11.081
  411   1HG   LYS  60          1HG       LYS  60   4.005  -5.813 -10.003
  412   2HG   LYS  60          2HG       LYS  60   5.388  -6.885  -9.896
  413   1HD   LYS  60          1HD       LYS  60   4.594  -5.368 -12.426
  414   2HD   LYS  60          2HD       LYS  60   5.802  -4.809 -11.286
  415   1HE   LYS  60          1HE       LYS  60   5.949  -7.510 -12.707
  416   2HE   LYS  60          2HE       LYS  60   6.737  -6.061 -13.299
  417   1HZ   LYS  60          1HZ       LYS  60   7.287  -6.544 -10.560
  418   2HZ   LYS  60          2HZ       LYS  60   7.761  -7.789 -11.505
  419   3HZ   LYS  60          3HZ       LYS  60   8.323  -6.283 -11.795
  420    H    ALA  61           H        ALA  61   4.427 -11.424  -9.779
  421    HA   ALA  61           HA       ALA  61   2.153 -12.561 -10.853
  422   1HB   ALA  61          1HB       ALA  61   3.912 -13.616 -12.792
  423   2HB   ALA  61          3HB       ALA  61   2.517 -12.547 -13.072
  424   3HB   ALA  61          2HB       ALA  61   4.141 -11.852 -12.852
  425    H    ASP  62           H        ASP  62   3.181 -13.003  -8.484
  426    HA   ASP  62           HA       ASP  62   4.779 -15.421  -8.799
  427   1HB   ASP  62          1HB       ASP  62   5.747 -13.406  -7.491
  428   2HB   ASP  62          2HB       ASP  62   4.522 -13.725  -6.279
  429    H    LYS  63           H        LYS  63   4.385 -16.812  -6.536
  430    HA   LYS  63           HA       LYS  63   1.530 -16.723  -5.907
  431   1HB   LYS  63          1HB       LYS  63   2.994 -18.882  -7.308
  432   2HB   LYS  63          2HB       LYS  63   1.982 -19.410  -5.979
  433   1HG   LYS  63          1HG       LYS  63   0.020 -18.299  -6.946
  434   2HG   LYS  63          2HG       LYS  63   0.999 -17.544  -8.187
  435   1HD   LYS  63          2HD       LYS  63   0.310 -19.347  -9.439
  436   2HD   LYS  63          1HD       LYS  63   1.665 -20.139  -8.659
  437   1HE   LYS  63          1HE       LYS  63   0.035 -20.844  -6.793
  438   2HE   LYS  63          2HE       LYS  63  -1.265 -20.255  -7.811
  439   1HZ   LYS  63          1HZ       LYS  63   0.116 -21.788  -9.497
  440   2HZ   LYS  63          2HZ       LYS  63   0.330 -22.606  -8.100
  441   3HZ   LYS  63          3HZ       LYS  63  -1.179 -22.298  -8.643
  442    H    SER  64           H        SER  64   2.158 -15.715  -3.914
  443    HA   SER  64           HA       SER  64   2.612 -17.548  -1.890
  444   1HB   SER  64          1HB       SER  64   5.034 -16.266  -3.023
  445   2HB   SER  64          2HB       SER  64   4.889 -16.076  -1.288
  446    HG   SER  64           HG       SER  64   5.969 -18.114  -2.291
  447    H    VAL  65           H        VAL  65   2.770 -16.385   0.300
  448    HA   VAL  65           HA       VAL  65   1.169 -13.991   0.136
  449    HB   VAL  65           HB       VAL  65   0.509 -15.690   1.677
  450   1HG1  VAL  65          1HG1      VAL  65   3.369 -15.554   2.631
  451   2HG1  VAL  65          2HG1      VAL  65   2.073 -16.175   3.681
  452   3HG1  VAL  65          3HG1      VAL  65   2.417 -16.970   2.126
  453   1HG2  VAL  65          1HG2      VAL  65   0.576 -13.125   2.320
  454   2HG2  VAL  65          2HG2      VAL  65   0.070 -14.356   3.502
  455   3HG2  VAL  65          3HG2      VAL  65   1.722 -13.694   3.557
  456    H    ASN  66           H        ASN  66   4.312 -14.429  -0.431
  457    HA   ASN  66           HA       ASN  66   5.202 -12.317   1.345
  458   1HB   ASN  66          2HB       ASN  66   6.824 -14.045  -0.598
  459   2HB   ASN  66          1HB       ASN  66   7.490 -12.956   0.602
  460   2HD2  ASN  66          2HD2      ASN  66   6.545 -13.326   2.881
  461   1HD2  ASN  66          1HD2      ASN  66   6.519 -14.964   3.443
  462    H    SER  67           H        SER  67   3.480 -12.339  -1.342
  463    HA   SER  67           HA       SER  67   5.170 -10.967  -3.163
  464   1HB   SER  67          1HB       SER  67   2.853 -10.546  -4.308
  465   2HB   SER  67          2HB       SER  67   3.478 -12.181  -4.240
  466    HG   SER  67           HG       SER  67   1.276 -12.174  -3.584
  467    H    TRP  68           H        TRP  68   5.410  -8.742  -3.436
  468    HA   TRP  68           HA       TRP  68   4.105  -7.089  -1.420
  469   1HB   TRP  68          1HB       TRP  68   6.399  -6.753  -1.377
  470   2HB   TRP  68          2HB       TRP  68   6.558  -6.821  -3.121
  471    HD1  TRP  68           HD1      TRP  68   6.816  -4.478  -4.250
  472    HE1  TRP  68           HE1      TRP  68   6.354  -1.945  -3.675
  473    HE3  TRP  68           HE3      TRP  68   4.531  -5.362   0.205
  474    HZ2  TRP  68           HZ2      TRP  68   5.112  -0.624  -1.471
  475    HZ3  TRP  68           HZ3      TRP  68   3.724  -3.395   1.507
  476    HH2  TRP  68           HH2      TRP  68   3.983  -1.090   0.735
  477    H    TYR  69           H        TYR  69   3.055  -8.340  -4.065
  478    HA   TYR  69           HA       TYR  69   1.997  -5.797  -5.211
  479   1HB   TYR  69          1HB       TYR  69   3.410  -6.770  -6.856
  480   2HB   TYR  69          2HB       TYR  69   2.803  -8.401  -6.524
  481    HD1  TYR  69           HD1      TYR  69   0.463  -9.015  -7.204
  482    HD2  TYR  69           HD2      TYR  69   2.321  -5.334  -8.409
  483    HE1  TYR  69           HE1      TYR  69  -1.219  -8.757  -9.009
  484    HE2  TYR  69           HE2      TYR  69   0.639  -5.076 -10.214
  485    HH   TYR  69           HH       TYR  69  -0.938  -6.793 -11.599
  486    H    LYS  70           H        LYS  70   1.258  -8.492  -3.303
  487    HA   LYS  70           HA       LYS  70  -1.467  -8.602  -4.381
  488   1HB   LYS  70          1HB       LYS  70   0.043 -10.706  -4.113
  489   2HB   LYS  70          2HB       LYS  70  -0.310 -10.559  -2.403
  490   1HG   LYS  70          1HG       LYS  70  -2.778 -10.548  -2.950
  491   2HG   LYS  70          2HG       LYS  70  -2.380 -10.794  -4.638
  492   1HD   LYS  70          1HD       LYS  70  -2.873 -12.972  -3.712
  493   2HD   LYS  70          2HD       LYS  70  -1.142 -12.914  -3.977
  494   1HE   LYS  70          2HE       LYS  70  -1.561 -13.870  -1.765
  495   2HE   LYS  70          1HE       LYS  70  -0.808 -12.302  -1.560
  496   1HZ   LYS  70          1HZ       LYS  70  -3.682 -12.294  -1.667
  497   2HZ   LYS  70          2HZ       LYS  70  -3.031 -13.007  -0.350
  498   3HZ   LYS  70          3HZ       LYS  70  -2.672 -11.452  -0.698
  499    H    VAL  71           H        VAL  71   0.529  -8.131  -1.420
  500    HA   VAL  71           HA       VAL  71  -1.673  -7.726   0.287
  501    HB   VAL  71           HB       VAL  71   0.031  -6.784   1.801
  502   1HG1  VAL  71          1HG1      VAL  71  -0.341  -9.347   1.171
  503   2HG1  VAL  71          2HG1      VAL  71   1.348  -9.198   0.628
  504   3HG1  VAL  71          3HG1      VAL  71   0.920  -8.832   2.316
  505   1HG2  VAL  71          1HG2      VAL  71   1.425  -6.263  -0.627
  506   2HG2  VAL  71          2HG2      VAL  71   1.905  -5.853   1.037
  507   3HG2  VAL  71          3HG2      VAL  71   2.406  -7.405   0.324
  508    H    VAL  72           H        VAL  72  -0.618  -5.959  -2.381
  509    HA   VAL  72           HA       VAL  72  -1.476  -3.419  -1.198
  510    HB   VAL  72           HB       VAL  72   0.104  -4.105  -3.680
  511   1HG1  VAL  72          1HG1      VAL  72  -1.593  -1.883  -3.316
  512   2HG1  VAL  72          2HG1      VAL  72   0.062  -1.282  -3.053
  513   3HG1  VAL  72          3HG1      VAL  72  -0.353  -2.112  -4.572
  514   1HG2  VAL  72          1HG2      VAL  72   0.818  -2.703  -1.085
  515   2HG2  VAL  72          2HG2      VAL  72   1.442  -4.258  -1.687
  516   3HG2  VAL  72          3HG2      VAL  72   1.867  -2.745  -2.522
  517    H    HIS  73           H        HIS  73  -1.989  -5.692  -3.958
  518    HA   HIS  73           HA       HIS  73  -4.490  -4.265  -4.482
  519   1HB   HIS  73          1HB       HIS  73  -3.032  -6.175  -6.324
  520   2HB   HIS  73          2HB       HIS  73  -4.404  -5.159  -6.719
  521    HD1  HIS  73           HD1      HIS  73  -0.694  -4.932  -5.924
  522    HD2  HIS  73           HD2      HIS  73  -3.785  -2.544  -7.453
  523    HE1  HIS  73           HE1      HIS  73   0.415  -2.819  -6.827
  524    H    ASP  74           H        ASP  74  -4.192  -6.042  -2.218
  525    HA   ASP  74           HA       ASP  74  -5.358  -8.517  -3.080
  526   1HB   ASP  74          1HB       ASP  74  -4.019  -7.465  -0.694
  527   2HB   ASP  74          2HB       ASP  74  -5.492  -8.305  -0.249
  528    H    ALA  75           H        ALA  75  -7.495  -7.958  -3.817
  529    HA   ALA  75           HA       ALA  75  -9.152  -6.143  -2.442
  530   1HB   ALA  75          1HB       ALA  75  -9.409  -8.146  -4.661
  531   2HB   ALA  75          3HB       ALA  75 -10.902  -7.551  -3.896
  532   3HB   ALA  75          2HB       ALA  75  -9.770  -6.403  -4.650
  533    H    LYS  76           H        LYS  76  -8.429  -9.601  -2.105
  534    HA   LYS  76           HA       LYS  76 -10.740 -10.219  -0.588
  535   1HB   LYS  76          1HB       LYS  76  -9.192 -11.789  -1.914
  536   2HB   LYS  76          2HB       LYS  76  -8.116 -11.716  -0.533
  537   1HG   LYS  76          1HG       LYS  76 -10.242 -12.319   0.888
  538   2HG   LYS  76          2HG       LYS  76 -10.959 -12.785  -0.641
  539   1HD   LYS  76          1HD       LYS  76  -8.357 -13.954  -0.625
  540   2HD   LYS  76          2HD       LYS  76  -9.005 -14.223   0.981
  541   1HE   LYS  76          1HE       LYS  76 -10.998 -14.715  -1.154
  542   2HE   LYS  76          2HE       LYS  76  -9.589 -15.748  -1.291
  543   1HZ   LYS  76          1HZ       LYS  76 -10.838 -15.404   1.315
  544   2HZ   LYS  76          2HZ       LYS  76 -11.523 -16.417   0.232
  545   3HZ   LYS  76          3HZ       LYS  76  -9.992 -16.675   0.738
  546    H    GLY  77           H        GLY  77 -10.850 -10.667   1.722
  547   1HA   GLY  77          2HA       GLY  77 -10.662  -9.886   3.833
  548   2HA   GLY  77          1HA       GLY  77  -9.600  -8.615   3.260
  549    H    GLY  78           H        GLY  78  -9.341 -10.306   5.697
  550   1HA   GLY  78          2HA       GLY  78  -6.616 -11.266   5.179
  551   2HA   GLY  78          1HA       GLY  78  -7.775 -12.375   5.884
  552    H    ALA  79           H        ALA  79  -5.589 -11.886   7.410
  553    HA   ALA  79           HA       ALA  79  -6.516 -11.143   9.828
  554   1HB   ALA  79          1HB       ALA  79  -4.175 -10.910  10.476
  555   2HB   ALA  79          3HB       ALA  79  -3.697 -10.665   8.779
  556   3HB   ALA  79          2HB       ALA  79  -4.332 -12.242   9.306
  557    H    LYS  80           H        LYS  80  -5.620  -9.051   7.122
  558    HA   LYS  80           HA       LYS  80  -6.718  -6.808   8.542
  559   1HB   LYS  80          1HB       LYS  80  -4.466  -5.544   7.758
  560   2HB   LYS  80          2HB       LYS  80  -4.729  -6.161   9.377
  561   1HG   LYS  80          1HG       LYS  80  -3.621  -8.323   8.707
  562   2HG   LYS  80          2HG       LYS  80  -3.315  -7.654   7.116
  563   1HD   LYS  80          1HD       LYS  80  -2.243  -6.561   9.760
  564   2HD   LYS  80          2HD       LYS  80  -1.313  -7.423   8.550
  565   1HE   LYS  80          1HE       LYS  80  -1.845  -5.593   6.888
  566   2HE   LYS  80          2HE       LYS  80  -2.685  -4.720   8.154
  567   1HZ   LYS  80          1HZ       LYS  80   0.100  -5.567   8.472
  568   2HZ   LYS  80          2HZ       LYS  80  -0.292  -4.147   7.767
  569   3HZ   LYS  80          3HZ       LYS  80  -0.711  -4.431   9.320
  570    HA   PRO  81           HA       PRO  81  -7.692  -5.747   4.387
  571   1HB   PRO  81          1HB       PRO  81  -8.474  -3.200   4.619
  572   2HB   PRO  81          2HB       PRO  81  -9.258  -4.457   5.630
  573   1HG   PRO  81          1HG       PRO  81  -7.006  -2.907   6.015
  574   2HG   PRO  81          2HG       PRO  81  -8.019  -2.657   7.474
  575   1HD   PRO  81          1HD       PRO  81  -6.016  -4.287   7.787
  576   2HD   PRO  81          2HD       PRO  81  -7.615  -5.013   8.135
  577    H    THR  82           H        THR  82  -6.779  -4.844   2.453
  578    HA   THR  82           HA       THR  82  -4.105  -3.751   2.853
  579    HB   THR  82           HB       THR  82  -3.771  -4.443   0.551
  580    HG1  THR  82           HG1      THR  82  -6.643  -4.985   0.530
  581   1HG2  THR  82          1HG2      THR  82  -4.961  -6.294   2.439
  582   2HG2  THR  82          2HG2      THR  82  -5.601  -6.650   0.817
  583   3HG2  THR  82          3HG2      THR  82  -3.844  -6.658   1.102
  584    H    CYS  83           H        CYS  83  -4.012  -2.398   0.275
  585    HA   CYS  83           HA       CYS  83  -4.950   0.116   1.202
  586   1HB   CYS  83          1HB       CYS  83  -3.916  -0.410  -1.572
  587   2HB   CYS  83          2HB       CYS  83  -3.816   1.058  -0.619
  588    H    ILE  84           H        ILE  84  -5.670  -2.049  -1.635
  589    HA   ILE  84           HA       ILE  84  -7.804  -0.487  -2.572
  590    HB   ILE  84           HB       ILE  84  -6.453  -2.939  -3.237
  591   1HG1  ILE  84          1HG1      ILE  84  -6.959  -2.276  -5.476
  592   2HG1  ILE  84          2HG1      ILE  84  -8.284  -1.254  -4.957
  593   1HG2  ILE  84          1HG2      ILE  84  -9.472  -2.998  -3.304
  594   2HG2  ILE  84          2HG2      ILE  84  -8.465  -3.983  -4.391
  595   3HG2  ILE  84          3HG2      ILE  84  -8.348  -4.201  -2.628
  596   1HD1  ILE  84          1HD1      ILE  84  -5.613  -0.661  -3.736
  597   2HD1  ILE  84          2HD1      ILE  84  -5.802  -0.288  -5.466
  598   3HD1  ILE  84          3HD1      ILE  84  -6.892   0.456  -4.271
  599    H    SER  85           H        SER  85  -7.546  -3.172  -0.211
  600    HA   SER  85           HA       SER  85 -10.183  -3.804  -0.004
  601   1HB   SER  85          2HB       SER  85  -8.285  -3.618   2.370
  602   2HB   SER  85          1HB       SER  85  -9.641  -4.712   2.179
  603    HG   SER  85           HG       SER  85  -8.396  -6.072   1.094
  604    H    CYS  86           H        CYS  86  -8.343  -1.474   2.115
  605    HA   CYS  86           HA       CYS  86 -10.635  -0.502   3.372
  606   1HB   CYS  86          1HB       CYS  86  -8.220  -0.329   4.166
  607   2HB   CYS  86          2HB       CYS  86  -8.025   1.003   3.043
  608    H    HIS  87           H        HIS  87  -8.495   0.977   0.816
  609    HA   HIS  87           HA       HIS  87  -9.900   3.207   0.289
  610   1HB   HIS  87          1HB       HIS  87  -8.322   1.358  -1.487
  611   2HB   HIS  87          2HB       HIS  87  -9.095   2.780  -2.158
  612    HD1  HIS  87           HD1      HIS  87  -6.847   3.959  -2.669
  613    HD2  HIS  87           HD2      HIS  87  -7.393   3.021   1.383
  614    HE1  HIS  87           HE1      HIS  87  -5.022   5.207  -1.394
  615    H    LYS  88           H        LYS  88 -10.670  -0.145  -0.728
  616    HA   LYS  88           HA       LYS  88 -12.676   0.488  -2.549
  617   1HB   LYS  88          1HB       LYS  88 -11.906  -1.912  -0.938
  618   2HB   LYS  88          2HB       LYS  88 -13.486  -1.904  -1.696
  619   1HG   LYS  88          1HG       LYS  88 -11.004  -1.152  -3.283
  620   2HG   LYS  88          2HG       LYS  88 -11.441  -2.833  -3.055
  621   1HD   LYS  88          1HD       LYS  88 -13.834  -1.436  -3.829
  622   2HD   LYS  88          2HD       LYS  88 -12.560  -0.916  -4.914
  623   1HE   LYS  88          1HE       LYS  88 -13.157  -3.848  -4.298
  624   2HE   LYS  88          2HE       LYS  88 -13.821  -2.994  -5.676
  625   1HZ   LYS  88          1HZ       LYS  88 -10.969  -2.799  -5.340
  626   2HZ   LYS  88          2HZ       LYS  88 -11.534  -4.277  -5.746
  627   3HZ   LYS  88          3HZ       LYS  88 -11.848  -2.991  -6.703
  628    H    ASP  89           H        ASP  89 -12.830  -0.196   1.008
  629    HA   ASP  89           HA       ASP  89 -15.541   0.024   1.246
  630   1HB   ASP  89          1HB       ASP  89 -13.560  -0.530   2.963
  631   2HB   ASP  89          2HB       ASP  89 -13.723   1.164   3.377
  632    H    LYS  90           H        LYS  90 -12.920   2.503   1.247
  633    HA   LYS  90           HA       LYS  90 -14.451   4.677   2.076
  634   1HB   LYS  90          1HB       LYS  90 -11.824   4.216   0.805
  635   2HB   LYS  90          2HB       LYS  90 -12.536   5.779   0.459
  636   1HG   LYS  90          1HG       LYS  90 -12.069   4.586   3.232
  637   2HG   LYS  90          2HG       LYS  90 -11.170   5.906   2.510
  638   1HD   LYS  90          1HD       LYS  90 -13.693   6.919   2.271
  639   2HD   LYS  90          2HD       LYS  90 -13.934   5.901   3.678
  640   1HE   LYS  90          1HE       LYS  90 -12.001   7.003   4.817
  641   2HE   LYS  90          2HE       LYS  90 -11.735   8.009   3.406
  642   1HZ   LYS  90          1HZ       LYS  90 -14.210   7.971   4.991
  643   2HZ   LYS  90          2HZ       LYS  90 -13.050   9.116   5.084
  644   3HZ   LYS  90          3HZ       LYS  90 -13.915   8.939   3.710
  645    H    ALA  91           H        ALA  91 -13.920   3.183  -1.151
  646    HA   ALA  91           HA       ALA  91 -15.656   5.196  -2.341
  647   1HB   ALA  91          1HB       ALA  91 -13.434   3.576  -3.193
  648   2HB   ALA  91          3HB       ALA  91 -14.270   4.875  -4.077
  649   3HB   ALA  91          2HB       ALA  91 -14.846   3.196  -4.208
  650    H    GLY  92           H        GLY  92 -16.514   3.052  -0.322
  651   1HA   GLY  92          2HA       GLY  92 -17.993   1.296  -0.187
  652   2HA   GLY  92          1HA       GLY  92 -18.167   1.281  -1.931
  653    H    ASP  93           H        ASP  93 -19.108   3.582  -2.797
  654    HA   ASP  93           HA       ASP  93 -21.701   3.645  -2.173
  655   1HB   ASP  93          1HB       ASP  93 -21.808   5.862  -0.814
  656   2HB   ASP  93          2HB       ASP  93 -21.461   4.383   0.060
  657    H    ASP  94           H        ASP  94 -19.019   6.123  -2.286
  658    HA   ASP  94           HA       ASP  94 -20.437   7.599  -4.271
  659   1HB   ASP  94          1HB       ASP  94 -19.081   8.753  -2.556
  660   2HB   ASP  94          2HB       ASP  94 -17.644   7.893  -3.072
  661    H    LYS  95           H        LYS  95 -20.139   7.337  -6.501
  662    HA   LYS  95           HA       LYS  95 -18.375   5.287  -7.403
  663   1HB   LYS  95          1HB       LYS  95 -20.280   7.191  -8.776
  664   2HB   LYS  95          2HB       LYS  95 -19.256   6.089  -9.674
  665   1HG   LYS  95          1HG       LYS  95 -20.209   4.164  -8.361
  666   2HG   LYS  95          2HG       LYS  95 -21.265   5.280  -7.519
  667   1HD   LYS  95          1HD       LYS  95 -22.597   5.680  -9.408
  668   2HD   LYS  95          2HD       LYS  95 -21.300   5.330 -10.533
  669   1HE   LYS  95          1HE       LYS  95 -21.437   2.882  -9.791
  670   2HE   LYS  95          2HE       LYS  95 -22.870   3.303  -8.876
  671   1HZ   LYS  95          1HZ       LYS  95 -22.704   4.007 -11.700
  672   2HZ   LYS  95          2HZ       LYS  95 -23.112   2.487 -11.264
  673   3HZ   LYS  95          3HZ       LYS  95 -24.031   3.748 -10.783
  674    H    GLU  96           H        GLU  96 -18.457   8.885  -7.476
  675    HA   GLU  96           HA       GLU  96 -16.236   9.137  -9.134
  676   1HB   GLU  96          1HB       GLU  96 -18.047  10.884  -8.370
  677   2HB   GLU  96          2HB       GLU  96 -16.976  11.173  -7.014
  678   1HG   GLU  96          1HG       GLU  96 -16.448  12.762  -8.803
  679   2HG   GLU  96          2HG       GLU  96 -15.101  11.660  -8.601
  680    H    LEU  97           H        LEU  97 -16.617   8.407  -5.706
  681    HA   LEU  97           HA       LEU  97 -13.985   9.205  -4.962
  682   1HB   LEU  97          1HB       LEU  97 -16.068   9.014  -3.506
  683   2HB   LEU  97          2HB       LEU  97 -15.796   7.283  -3.512
  684    HG   LEU  97           HG       LEU  97 -14.897   8.199  -1.490
  685   1HD1  LEU  97          1HD1      LEU  97 -13.569   6.475  -3.007
  686   2HD1  LEU  97          2HD1      LEU  97 -12.365   7.786  -3.014
  687   3HD1  LEU  97          3HD1      LEU  97 -12.908   7.085  -1.470
  688   1HD2  LEU  97          1HD2      LEU  97 -13.517  10.172  -3.304
  689   2HD2  LEU  97          2HD2      LEU  97 -14.571  10.476  -1.902
  690   3HD2  LEU  97          3HD2      LEU  97 -12.927   9.839  -1.658
  691    H    LYS  98           H        LYS  98 -15.430   6.453  -6.569
  692    HA   LYS  98           HA       LYS  98 -13.222   4.712  -5.901
  693   1HB   LYS  98          1HB       LYS  98 -15.633   3.964  -6.116
  694   2HB   LYS  98          2HB       LYS  98 -15.495   4.229  -7.843
  695   1HG   LYS  98          1HG       LYS  98 -13.310   2.723  -7.608
  696   2HG   LYS  98          2HG       LYS  98 -14.066   2.190  -6.120
  697   1HD   LYS  98          1HD       LYS  98 -15.673   2.219  -8.692
  698   2HD   LYS  98          2HD       LYS  98 -14.559   0.902  -8.382
  699   1HE   LYS  98          1HE       LYS  98 -16.819   1.765  -6.513
  700   2HE   LYS  98          2HE       LYS  98 -16.874   0.382  -7.588
  701   1HZ   LYS  98          1HZ       LYS  98 -14.547   0.288  -6.034
  702   2HZ   LYS  98          2HZ       LYS  98 -15.841   0.466  -5.054
  703   3HZ   LYS  98          3HZ       LYS  98 -15.775  -0.786  -6.100
  704    H    LYS  99           H        LYS  99 -12.868   7.366  -7.361
  705    HA   LYS  99           HA       LYS  99 -11.398   6.210  -9.614
  706   1HB   LYS  99          1HB       LYS  99 -13.432   8.413  -9.680
  707   2HB   LYS  99          2HB       LYS  99 -12.048   8.509 -10.751
  708   1HG   LYS  99          1HG       LYS  99 -12.579   6.373 -11.779
  709   2HG   LYS  99          2HG       LYS  99 -13.772   6.002 -10.551
  710   1HD   LYS  99          1HD       LYS  99 -14.630   8.482 -11.565
  711   2HD   LYS  99          2HD       LYS  99 -14.045   7.641 -12.987
  712   1HE   LYS  99          1HE       LYS  99 -15.747   6.099 -12.937
  713   2HE   LYS  99          2HE       LYS  99 -15.671   5.921 -11.196
  714   1HZ   LYS  99          1HZ       LYS  99 -16.612   8.479 -11.959
  715   2HZ   LYS  99          2HZ       LYS  99 -17.549   7.290 -12.569
  716   3HZ   LYS  99          3HZ       LYS  99 -17.292   7.382 -10.959
  717    H    LYS 100           H        LYS 100 -10.161   6.492  -7.231
  718    HA   LYS 100           HA       LYS 100  -8.136   8.330  -7.815
  719   1HB   LYS 100          1HB       LYS 100  -8.570   9.712  -5.625
  720   2HB   LYS 100          2HB       LYS 100  -9.303  10.184  -7.145
  721   1HG   LYS 100          1HG       LYS 100 -11.359   8.811  -6.479
  722   2HG   LYS 100          2HG       LYS 100 -10.626   8.591  -4.903
  723   1HD   LYS 100          1HD       LYS 100 -12.095  10.482  -4.688
  724   2HD   LYS 100          2HD       LYS 100 -10.470  11.137  -4.712
  725   1HE   LYS 100          1HE       LYS 100 -10.710  11.618  -7.165
  726   2HE   LYS 100          2HE       LYS 100 -12.342  10.983  -7.124
  727   1HZ   LYS 100          1HZ       LYS 100 -12.657  12.693  -5.273
  728   2HZ   LYS 100          2HZ       LYS 100 -11.313  13.404  -5.871
  729   3HZ   LYS 100          3HZ       LYS 100 -12.629  13.218  -6.820
  730    H    LEU 101           H        LEU 101  -9.939   6.459  -5.324
  731    HA   LEU 101           HA       LEU 101  -7.419   5.828  -4.017
  732   1HB   LEU 101          2HB       LEU 101 -10.192   4.942  -3.237
  733   2HB   LEU 101          1HB       LEU 101  -8.741   4.937  -2.255
  734    HG   LEU 101           HG       LEU 101 -10.469   7.259  -3.068
  735   1HD1  LEU 101          1HD1      LEU 101 -10.655   5.827  -0.890
  736   2HD1  LEU 101          2HD1      LEU 101  -9.261   6.799  -0.360
  737   3HD1  LEU 101          3HD1      LEU 101 -10.786   7.600  -0.810
  738   1HD2  LEU 101          1HD2      LEU 101  -7.537   7.332  -2.421
  739   2HD2  LEU 101          2HD2      LEU 101  -8.456   8.235  -3.649
  740   3HD2  LEU 101          3HD2      LEU 101  -8.601   8.672  -1.930
  741    H    THR 102           H        THR 102  -9.915   4.449  -6.141
  742    HA   THR 102           HA       THR 102  -8.211   2.073  -6.406
  743    HB   THR 102           HB       THR 102 -10.076   0.613  -6.128
  744    HG1  THR 102           HG1      THR 102 -11.861   1.429  -7.152
  745   1HG2  THR 102          1HG2      THR 102  -9.518   2.011  -3.965
  746   2HG2  THR 102          2HG2      THR 102 -11.023   2.886  -4.337
  747   3HG2  THR 102          3HG2      THR 102 -11.066   1.135  -4.019
  748    H    GLY 103           H        GLY 103  -9.082   4.788  -7.855
  749   1HA   GLY 103          2HA       GLY 103  -8.823   5.283 -10.076
  750   2HA   GLY 103          1HA       GLY 103 -10.423   4.569 -10.105
  751    H    CYS 104           H        CYS 104  -7.044   3.241  -9.797
  752    HA   CYS 104           HA       CYS 104  -6.277   1.301 -10.630
  753   1HB   CYS 104          1HB       CYS 104  -8.879   0.787 -11.055
  754   2HB   CYS 104          2HB       CYS 104  -8.363   0.962 -12.720
  755    H    LYS 105           H        LYS 105  -7.871   3.703 -12.799
  756    HA   LYS 105           HA       LYS 105  -5.356   3.845 -14.291
  757   1HB   LYS 105          1HB       LYS 105  -6.833   2.490 -15.646
  758   2HB   LYS 105          2HB       LYS 105  -8.139   3.646 -15.475
  759   1HG   LYS 105          1HG       LYS 105  -7.207   4.161 -17.598
  760   2HG   LYS 105          2HG       LYS 105  -6.535   5.387 -16.542
  761   1HD   LYS 105          1HD       LYS 105  -4.391   4.454 -16.576
  762   2HD   LYS 105          2HD       LYS 105  -4.982   2.824 -16.831
  763   1HE   LYS 105          1HE       LYS 105  -5.718   3.587 -19.183
  764   2HE   LYS 105          2HE       LYS 105  -4.824   5.066 -18.893
  765   1HZ   LYS 105          1HZ       LYS 105  -3.622   2.399 -18.651
  766   2HZ   LYS 105          2HZ       LYS 105  -3.563   3.291 -20.017
  767   3HZ   LYS 105          3HZ       LYS 105  -2.844   3.834 -18.655
  768    H    GLY 106           H        GLY 106  -4.648   5.748 -13.356
  769   1HA   GLY 106          2HA       GLY 106  -6.156   8.130 -14.083
  770   2HA   GLY 106          1HA       GLY 106  -4.509   8.042 -13.491
  771    H    SER 107           H        SER 107  -4.786   6.517 -11.132
  772    HA   SER 107           HA       SER 107  -6.743   8.038  -9.612
  773   1HB   SER 107          2HB       SER 107  -6.659   6.285  -7.960
  774   2HB   SER 107          1HB       SER 107  -6.795   5.508  -9.525
  775    HG   SER 107           HG       SER 107  -5.121   4.381  -8.724
  776    H    ALA 108           H        ALA 108  -5.637   7.844  -7.033
  777    HA   ALA 108           HA       ALA 108  -3.547   9.803  -7.238
  778   1HB   ALA 108          1HB       ALA 108  -4.126  10.316  -5.082
  779   2HB   ALA 108          3HB       ALA 108  -5.612   9.446  -5.531
  780   3HB   ALA 108          2HB       ALA 108  -4.333   8.611  -4.616
  781    H    CYS 109           H        CYS 109  -3.532   6.539  -7.670
  782    HA   CYS 109           HA       CYS 109  -0.997   6.226  -6.234
  783   1HB   CYS 109          1HB       CYS 109  -3.023   4.132  -7.082
  784   2HB   CYS 109          2HB       CYS 109  -1.428   3.754  -6.463
  785    H    HIS 110           H        HIS 110  -2.849   5.442  -9.259
  786    HA   HIS 110           HA       HIS 110  -0.266   5.384 -10.646
  787   1HB   HIS 110          2HB       HIS 110  -2.804   3.877 -11.339
  788   2HB   HIS 110          1HB       HIS 110  -1.319   3.857 -12.269
  789    HD1  HIS 110           HD1      HIS 110   0.840   3.334 -10.235
  790    HD2  HIS 110           HD2      HIS 110  -2.920   1.484 -10.046
  791    HE1  HIS 110           HE1      HIS 110   1.155   1.212  -8.853
  792    HA   PRO 111           HA       PRO 111  -2.505   8.888 -12.456
  793   1HB   PRO 111          1HB       PRO 111  -0.718  10.837 -11.963
  794   2HB   PRO 111          2HB       PRO 111  -1.686  10.143 -10.623
  795   1HG   PRO 111          2HG       PRO 111   1.408   9.399 -10.998
  796   2HG   PRO 111          1HG       PRO 111   0.094   9.750  -9.828
  797   1HD   PRO 111          1HD       PRO 111   0.890   7.179 -11.119
  798   2HD   PRO 111          2HD       PRO 111  -0.165   7.448  -9.699
  799    H    SER 112           H        SER 112  -1.723   7.123 -14.274
  800    HA   SER 112           HA       SER 112   0.294   8.563 -15.812
  801   1HB   SER 112          1HB       SER 112   0.287   5.812 -14.946
  802   2HB   SER 112          2HB       SER 112   0.117   5.826 -16.690
  803    HG   SER 112           HG       SER 112   2.271   6.762 -15.069

  No H/Q in entry =         803
  Start of MODEL   17
    1    H1   VAL   1           H1       VAL   1   5.924   7.275  15.916
    2    H2   VAL   1           H2       VAL   1   6.530   5.750  15.694
    3    H3   VAL   1           H3       VAL   1   5.831   6.161  17.138
    4    HA   VAL   1           HA       VAL   1   7.564   7.189  17.919
    5    HB   VAL   1           HB       VAL   1   9.203   5.711  17.729
    6   1HG1  VAL   1          1HG1      VAL   1   7.397   4.569  15.573
    7   2HG1  VAL   1          2HG1      VAL   1   8.759   3.694  16.312
    8   3HG1  VAL   1          3HG1      VAL   1   7.375   4.195  17.313
    9   1HG2  VAL   1          1HG2      VAL   1   9.284   6.384  14.773
   10   2HG2  VAL   1          2HG2      VAL   1  10.392   6.933  16.053
   11   3HG2  VAL   1          3HG2      VAL   1  10.389   5.226  15.551
   12    H    ASP   2           H        ASP   2   6.907   7.710  14.517
   13    HA   ASP   2           HA       ASP   2   7.498  10.362  14.629
   14   1HB   ASP   2          1HB       ASP   2   9.872   8.720  14.249
   15   2HB   ASP   2          2HB       ASP   2   9.589   9.661  12.798
   16    H    VAL   3           H        VAL   3   5.535  10.323  13.354
   17    HA   VAL   3           HA       VAL   3   5.192   8.712  11.096
   18    HB   VAL   3           HB       VAL   3   3.653  10.346  12.644
   19   1HG1  VAL   3          1HG1      VAL   3   3.951  11.701   9.942
   20   2HG1  VAL   3          2HG1      VAL   3   2.665  12.045  11.125
   21   3HG1  VAL   3          3HG1      VAL   3   4.365  12.385  11.533
   22   1HG2  VAL   3          1HG2      VAL   3   3.298   8.693  10.237
   23   2HG2  VAL   3          2HG2      VAL   3   2.353   8.746  11.745
   24   3HG2  VAL   3          3HG2      VAL   3   2.035   9.929  10.453
   25    HA   PRO   4           HA       PRO   4   8.274  10.412   8.407
   26   1HB   PRO   4          1HB       PRO   4   6.278   9.225   6.448
   27   2HB   PRO   4          2HB       PRO   4   8.064   9.080   6.526
   28   1HG   PRO   4          1HG       PRO   4   6.640   7.025   7.519
   29   2HG   PRO   4          2HG       PRO   4   8.158   7.577   8.298
   30   1HD   PRO   4          2HD       PRO   4   5.260   8.033   9.082
   31   2HD   PRO   4          1HD       PRO   4   6.702   7.850  10.127
   32    H    ALA   5           H        ALA   5   8.249  12.008   6.513
   33    HA   ALA   5           HA       ALA   5   6.079  13.885   6.964
   34   1HB   ALA   5          1HB       ALA   5   7.537  15.479   5.883
   35   2HB   ALA   5          3HB       ALA   5   8.601  14.181   5.288
   36   3HB   ALA   5          2HB       ALA   5   8.519  14.536   7.030
   37    H    ASP   6           H        ASP   6   4.795  14.762   5.230
   38    HA   ASP   6           HA       ASP   6   3.834  12.890   3.506
   39   1HB   ASP   6          1HB       ASP   6   2.510  14.831   3.976
   40   2HB   ASP   6          2HB       ASP   6   3.791  15.927   3.500
   41    H    GLY   7           H        GLY   7   3.808  13.244   0.950
   42   1HA   GLY   7          2HA       GLY   7   6.086  14.483  -0.246
   43   2HA   GLY   7          1HA       GLY   7   4.887  13.469  -1.023
   44    H    ALA   8           H        ALA   8   5.072  11.061   0.430
   45    HA   ALA   8           HA       ALA   8   7.897  10.326   0.260
   46   1HB   ALA   8          1HB       ALA   8   6.477   9.860   2.325
   47   2HB   ALA   8          3HB       ALA   8   5.567   8.697   1.333
   48   3HB   ALA   8          2HB       ALA   8   7.305   8.448   1.626
   49    H    LYS   9           H        LYS   9   8.593   9.521  -1.650
   50    HA   LYS   9           HA       LYS   9   6.619   8.429  -3.473
   51   1HB   LYS   9          2HB       LYS   9   7.960   9.182  -5.093
   52   2HB   LYS   9          1HB       LYS   9   8.807  10.053  -3.830
   53   1HG   LYS   9          1HG       LYS   9  10.125   7.762  -3.521
   54   2HG   LYS   9          2HG       LYS   9   9.552   7.427  -5.143
   55   1HD   LYS   9          1HD       LYS   9  10.493   9.757  -5.795
   56   2HD   LYS   9          2HD       LYS   9  11.298   9.754  -4.238
   57   1HE   LYS   9          1HE       LYS   9  12.114   7.323  -5.037
   58   2HE   LYS   9          2HE       LYS   9  11.785   7.975  -6.630
   59   1HZ   LYS   9          1HZ       LYS   9  13.486   9.300  -4.635
   60   2HZ   LYS   9          2HZ       LYS   9  14.048   8.380  -5.861
   61   3HZ   LYS   9          3HZ       LYS   9  13.258   9.774  -6.181
   62    H    ILE  10           H        ILE  10   6.472   6.284  -4.083
   63    HA   ILE  10           HA       ILE  10   8.328   4.478  -2.694
   64    HB   ILE  10           HB       ILE  10   5.419   3.969  -3.317
   65   1HG1  ILE  10          1HG1      ILE  10   6.513   4.441  -0.552
   66   2HG1  ILE  10          2HG1      ILE  10   6.026   5.795  -1.553
   67   1HG2  ILE  10          1HG2      ILE  10   7.640   2.337  -2.221
   68   2HG2  ILE  10          2HG2      ILE  10   6.067   2.197  -1.399
   69   3HG2  ILE  10          3HG2      ILE  10   6.194   1.854  -3.141
   70   1HD1  ILE  10          1HD1      ILE  10   4.210   3.401  -1.047
   71   2HD1  ILE  10          2HD1      ILE  10   4.209   4.854  -0.020
   72   3HD1  ILE  10          3HD1      ILE  10   3.761   4.978  -1.738
   73    H    ASP  11           H        ASP  11   9.564   3.252  -4.011
   74    HA   ASP  11           HA       ASP  11   8.456   2.328  -6.468
   75   1HB   ASP  11          1HB       ASP  11   9.260   4.416  -7.333
   76   2HB   ASP  11          2HB       ASP  11  10.717   4.354  -6.361
   77    H    PHE  12           H        PHE  12   8.927   0.189  -5.730
   78    HA   PHE  12           HA       PHE  12  11.763  -0.336  -5.174
   79   1HB   PHE  12          1HB       PHE  12   9.158  -1.695  -4.253
   80   2HB   PHE  12          2HB       PHE  12  10.753  -2.308  -3.865
   81    HD1  PHE  12           HD1      PHE  12  12.209   0.153  -3.170
   82    HD2  PHE  12           HD2      PHE  12   8.243  -1.027  -2.228
   83    HE1  PHE  12           HE1      PHE  12  12.266   1.599  -1.119
   84    HE2  PHE  12           HE2      PHE  12   8.300   0.419  -0.178
   85    HZ   PHE  12           HZ       PHE  12  10.310   1.715   0.353
   86    H    ILE  13           H        ILE  13   8.848  -1.157  -7.015
   87    HA   ILE  13           HA       ILE  13  10.256  -3.424  -8.213
   88    HB   ILE  13           HB       ILE  13   7.356  -2.589  -8.255
   89   1HG1  ILE  13          1HG1      ILE  13   8.566  -5.089  -7.063
   90   2HG1  ILE  13          2HG1      ILE  13   8.384  -3.610  -6.140
   91   1HG2  ILE  13          1HG2      ILE  13   8.851  -4.673  -9.811
   92   2HG2  ILE  13          2HG2      ILE  13   7.170  -4.974  -9.308
   93   3HG2  ILE  13          3HG2      ILE  13   7.555  -3.569 -10.331
   94   1HD1  ILE  13          1HD1      ILE  13   6.094  -5.006  -7.599
   95   2HD1  ILE  13          2HD1      ILE  13   6.445  -5.184  -5.864
   96   3HD1  ILE  13          3HD1      ILE  13   5.959  -3.601  -6.515
   97    H    ALA  14           H        ALA  14  11.644  -2.670  -9.759
   98    HA   ALA  14           HA       ALA  14  10.811  -0.450 -11.417
   99   1HB   ALA  14          1HB       ALA  14  13.327  -1.963 -10.833
  100   2HB   ALA  14          2HB       ALA  14  13.193  -1.181 -12.426
  101   3HB   ALA  14          3HB       ALA  14  13.048  -0.208 -10.942
  102    H    GLY  15           H        GLY  15  10.097  -0.592 -13.521
  103   1HA   GLY  15          2HA       GLY  15   9.167  -3.121 -14.446
  104   2HA   GLY  15          1HA       GLY  15  10.599  -2.618 -15.323
  105    H    GLY  16           H        GLY  16   8.163  -2.886 -16.674
  106   1HA   GLY  16          2HA       GLY  16   6.553  -0.615 -16.810
  107   2HA   GLY  16          1HA       GLY  16   6.798  -1.793 -18.084
  108    H    GLU  17           H        GLU  17   6.409   0.853 -18.803
  109    HA   GLU  17           HA       GLU  17   8.307   1.375 -20.562
  110   1HB   GLU  17          1HB       GLU  17   6.221   2.932 -19.222
  111   2HB   GLU  17          2HB       GLU  17   7.570   3.955 -19.675
  112   1HG   GLU  17          1HG       GLU  17   5.738   3.646 -21.454
  113   2HG   GLU  17          2HG       GLU  17   7.386   3.384 -21.992
  114    H    LYS  18           H        LYS  18   8.296   2.584 -17.145
  115    HA   LYS  18           HA       LYS  18  11.192   2.754 -17.300
  116   1HB   LYS  18          1HB       LYS  18  11.125   5.034 -16.233
  117   2HB   LYS  18          2HB       LYS  18  10.669   4.978 -17.924
  118   1HG   LYS  18          1HG       LYS  18   8.206   4.694 -16.970
  119   2HG   LYS  18          2HG       LYS  18   8.892   5.352 -15.497
  120   1HD   LYS  18          1HD       LYS  18   9.213   7.453 -16.411
  121   2HD   LYS  18          2HD       LYS  18   9.602   6.826 -18.000
  122   1HE   LYS  18          2HE       LYS  18   7.461   7.977 -18.153
  123   2HE   LYS  18          1HE       LYS  18   7.163   6.260 -18.340
  124   1HZ   LYS  18          1HZ       LYS  18   6.976   7.576 -15.730
  125   2HZ   LYS  18          2HZ       LYS  18   5.703   7.494 -16.750
  126   3HZ   LYS  18          3HZ       LYS  18   6.374   6.123 -16.169
  127    H    ASN  19           H        ASN  19   8.337   3.511 -15.176
  128    HA   ASN  19           HA       ASN  19   8.510   1.457 -13.510
  129   1HB   ASN  19          1HB       ASN  19   9.814   2.733 -11.521
  130   2HB   ASN  19          2HB       ASN  19  10.666   1.696 -12.648
  131   2HD2  ASN  19          2HD2      ASN  19   9.399   5.029 -12.543
  132   1HD2  ASN  19          1HD2      ASN  19  10.809   5.818 -13.168
  133    H    LEU  20           H        LEU  20   6.599   1.725 -12.330
  134    HA   LEU  20           HA       LEU  20   5.376   4.301 -12.275
  135   1HB   LEU  20          1HB       LEU  20   4.587   1.598 -11.193
  136   2HB   LEU  20          2HB       LEU  20   3.597   3.032 -11.012
  137    HG   LEU  20           HG       LEU  20   4.393   1.690 -13.608
  138   1HD1  LEU  20          1HD1      LEU  20   1.953   1.682 -11.902
  139   2HD1  LEU  20          2HD1      LEU  20   1.724   1.714 -13.667
  140   3HD1  LEU  20          3HD1      LEU  20   2.658   0.399 -12.914
  141   1HD2  LEU  20          1HD2      LEU  20   2.861   4.264 -13.158
  142   2HD2  LEU  20          2HD2      LEU  20   4.410   4.056 -14.010
  143   3HD2  LEU  20          3HD2      LEU  20   2.916   3.375 -14.700
  144    H    THR  21           H        THR  21   5.251   5.772 -10.621
  145    HA   THR  21           HA       THR  21   6.509   4.960  -8.083
  146    HB   THR  21           HB       THR  21   6.647   7.784  -9.185
  147    HG1  THR  21           HG1      THR  21   8.035   7.007 -10.731
  148   1HG2  THR  21          1HG2      THR  21   7.605   6.716  -6.861
  149   2HG2  THR  21          2HG2      THR  21   8.954   6.306  -7.948
  150   3HG2  THR  21          3HG2      THR  21   8.461   8.004  -7.742
  151    H    VAL  22           H        VAL  22   5.002   4.796  -6.551
  152    HA   VAL  22           HA       VAL  22   2.626   6.454  -6.795
  153    HB   VAL  22           HB       VAL  22   3.391   4.114  -5.045
  154   1HG1  VAL  22          1HG1      VAL  22   1.105   6.030  -4.851
  155   2HG1  VAL  22          2HG1      VAL  22   0.771   4.303  -4.578
  156   3HG1  VAL  22          3HG1      VAL  22   1.973   5.146  -3.573
  157   1HG2  VAL  22          1HG2      VAL  22   2.006   4.438  -7.615
  158   2HG2  VAL  22          2HG2      VAL  22   2.743   2.994  -6.881
  159   3HG2  VAL  22          3HG2      VAL  22   1.090   3.476  -6.430
  160    H    VAL  23           H        VAL  23   2.070   8.091  -5.363
  161    HA   VAL  23           HA       VAL  23   4.226   8.862  -3.535
  162    HB   VAL  23           HB       VAL  23   1.983  10.425  -4.826
  163   1HG1  VAL  23          1HG1      VAL  23   3.040  10.993  -2.372
  164   2HG1  VAL  23          2HG1      VAL  23   4.138  11.898  -3.442
  165   3HG1  VAL  23          3HG1      VAL  23   2.386  12.205  -3.499
  166   1HG2  VAL  23          1HG2      VAL  23   3.904   9.764  -6.292
  167   2HG2  VAL  23          2HG2      VAL  23   3.708  11.523  -6.100
  168   3HG2  VAL  23          3HG2      VAL  23   4.984  10.667  -5.203
  169    H    PHE  24           H        PHE  24   3.930   8.720  -1.365
  170    HA   PHE  24           HA       PHE  24   1.163   8.318  -0.464
  171   1HB   PHE  24          1HB       PHE  24   2.931   6.376  -0.401
  172   2HB   PHE  24          2HB       PHE  24   3.779   7.325   0.804
  173    HD1  PHE  24           HD1      PHE  24   0.227   6.300   0.216
  174    HD2  PHE  24           HD2      PHE  24   3.456   6.593   2.954
  175    HE1  PHE  24           HE1      PHE  24  -1.207   5.297   2.015
  176    HE2  PHE  24           HE2      PHE  24   2.022   5.590   4.753
  177    HZ   PHE  24           HZ       PHE  24  -0.293   4.954   4.262
  178    H    ASN  25           H        ASN  25   1.212   8.646   2.155
  179    HA   ASN  25           HA       ASN  25   2.968  10.651   3.035
  180   1HB   ASN  25          2HB       ASN  25   0.371  11.923   3.297
  181   2HB   ASN  25          1HB       ASN  25   1.816  12.561   2.539
  182   2HD2  ASN  25          2HD2      ASN  25   1.877  12.814   0.424
  183   1HD2  ASN  25          1HD2      ASN  25   0.728  12.209  -0.723
  184    H    HIS  26           H        HIS  26   3.021  10.366   5.284
  185    HA   HIS  26           HA       HIS  26   1.146   8.577   6.450
  186   1HB   HIS  26          1HB       HIS  26   3.650   9.962   7.268
  187   2HB   HIS  26          2HB       HIS  26   2.559   9.494   8.557
  188    HD1  HIS  26           HD1      HIS  26   4.216   7.851   5.509
  189    HD2  HIS  26           HD2      HIS  26   2.902   6.912   9.380
  190    HE1  HIS  26           HE1      HIS  26   4.900   5.428   5.928
  191    H    SER  27           H        SER  27   1.221  11.966   5.843
  192    HA   SER  27           HA       SER  27  -0.349  12.619   8.148
  193   1HB   SER  27          1HB       SER  27  -0.161  14.574   5.911
  194   2HB   SER  27          2HB       SER  27   0.102  14.812   7.627
  195    HG   SER  27           HG       SER  27   2.206  14.536   7.347
  196    H    THR  28           H        THR  28  -1.106  10.766   5.654
  197    HA   THR  28           HA       THR  28  -3.671  12.098   5.085
  198    HB   THR  28           HB       THR  28  -2.298   9.891   3.477
  199    HG1  THR  28           HG1      THR  28  -2.233  12.825   3.385
  200   1HG2  THR  28          1HG2      THR  28  -4.655  11.723   3.132
  201   2HG2  THR  28          2HG2      THR  28  -3.599  11.524   1.713
  202   3HG2  THR  28          3HG2      THR  28  -4.377  10.102   2.451
  203    H    HIS  29           H        HIS  29  -2.048   9.208   6.349
  204    HA   HIS  29           HA       HIS  29  -4.707   8.084   6.845
  205   1HB   HIS  29          2HB       HIS  29  -2.040   6.647   6.797
  206   2HB   HIS  29          1HB       HIS  29  -3.616   5.912   7.010
  207    HD1  HIS  29           HD1      HIS  29  -1.595   7.784   4.368
  208    HD2  HIS  29           HD2      HIS  29  -4.924   5.248   4.668
  209    HE1  HIS  29           HE1      HIS  29  -2.252   7.180   1.977
  210    H    LYS  30           H        LYS  30  -3.101  10.251   8.325
  211    HA   LYS  30           HA       LYS  30  -2.056   9.206  10.670
  212   1HB   LYS  30          1HB       LYS  30  -2.167  11.430  11.512
  213   2HB   LYS  30          2HB       LYS  30  -1.803  11.540   9.802
  214   1HG   LYS  30          1HG       LYS  30  -4.695  11.628  10.690
  215   2HG   LYS  30          2HG       LYS  30  -3.706  13.062  10.885
  216   1HD   LYS  30          1HD       LYS  30  -3.051  12.397   8.308
  217   2HD   LYS  30          2HD       LYS  30  -4.679  11.750   8.375
  218   1HE   LYS  30          2HE       LYS  30  -5.017  13.986   7.667
  219   2HE   LYS  30          1HE       LYS  30  -5.368  14.056   9.382
  220   1HZ   LYS  30          1HZ       LYS  30  -2.899  14.616   9.576
  221   2HZ   LYS  30          2HZ       LYS  30  -2.984  14.983   7.986
  222   3HZ   LYS  30          3HZ       LYS  30  -3.921  15.781   9.060
  223    H    ASP  31           H        ASP  31  -5.313   9.263   9.483
  224    HA   ASP  31           HA       ASP  31  -6.458   9.193  12.102
  225   1HB   ASP  31          2HB       ASP  31  -8.549   9.228  11.003
  226   2HB   ASP  31          1HB       ASP  31  -7.518  10.145   9.922
  227    H    VAL  32           H        VAL  32  -4.699   7.055  10.214
  228    HA   VAL  32           HA       VAL  32  -6.275   4.728  11.066
  229    HB   VAL  32           HB       VAL  32  -4.126   4.858   8.949
  230   1HG1  VAL  32          1HG1      VAL  32  -4.704   2.639  10.040
  231   2HG1  VAL  32          2HG1      VAL  32  -6.322   2.803   9.316
  232   3HG1  VAL  32          3HG1      VAL  32  -4.885   2.707   8.270
  233   1HG2  VAL  32          1HG2      VAL  32  -7.099   5.330   8.753
  234   2HG2  VAL  32          2HG2      VAL  32  -5.761   6.269   8.050
  235   3HG2  VAL  32          3HG2      VAL  32  -6.178   4.675   7.378
  236    H    LYS  33           H        LYS  33  -5.397   3.287  12.509
  237    HA   LYS  33           HA       LYS  33  -3.307   4.075  14.119
  238   1HB   LYS  33          1HB       LYS  33  -4.346   1.267  13.631
  239   2HB   LYS  33          2HB       LYS  33  -3.393   1.783  15.007
  240   1HG   LYS  33          1HG       LYS  33  -5.182   2.773  16.035
  241   2HG   LYS  33          2HG       LYS  33  -5.753   3.507  14.550
  242   1HD   LYS  33          1HD       LYS  33  -6.791   1.388  13.839
  243   2HD   LYS  33          2HD       LYS  33  -6.105   0.546  15.215
  244   1HE   LYS  33          1HE       LYS  33  -7.403   2.509  16.565
  245   2HE   LYS  33          2HE       LYS  33  -8.403   2.488  15.126
  246   1HZ   LYS  33          1HZ       LYS  33  -8.045  -0.126  15.743
  247   2HZ   LYS  33          2HZ       LYS  33  -8.242   0.582  17.202
  248   3HZ   LYS  33          3HZ       LYS  33  -9.384   0.758  16.048
  249    H    CYS  34           H        CYS  34  -1.157   2.998  14.442
  250    HA   CYS  34           HA       CYS  34   0.223   3.012  11.961
  251   1HB   CYS  34          1HB       CYS  34   1.388   2.165  14.605
  252   2HB   CYS  34          2HB       CYS  34   2.206   2.872  13.226
  253    H    ASP  35           H        ASP  35  -0.838   0.591  14.410
  254    HA   ASP  35           HA       ASP  35   0.550  -1.550  13.314
  255   1HB   ASP  35          1HB       ASP  35  -1.147  -2.937  14.586
  256   2HB   ASP  35          2HB       ASP  35  -0.347  -1.714  15.553
  257    H    ASP  36           H        ASP  36  -2.032   0.333  12.106
  258    HA   ASP  36           HA       ASP  36  -3.685  -1.592  11.001
  259   1HB   ASP  36          1HB       ASP  36  -3.864   1.054  11.207
  260   2HB   ASP  36          2HB       ASP  36  -3.110   1.047   9.625
  261    H    CYS  37           H        CYS  37  -0.443  -0.542  10.263
  262    HA   CYS  37           HA       CYS  37  -0.544  -2.074   7.780
  263   1HB   CYS  37          1HB       CYS  37   0.897   0.582   8.087
  264   2HB   CYS  37          2HB       CYS  37   0.957  -0.463   6.681
  265    H    HIS  38           H        HIS  38   1.452  -0.456  10.344
  266    HA   HIS  38           HA       HIS  38   3.684  -2.145   9.856
  267   1HB   HIS  38          1HB       HIS  38   3.025  -0.263  12.138
  268   2HB   HIS  38          2HB       HIS  38   4.559  -1.087  11.947
  269    HD1  HIS  38           HD1      HIS  38   5.821  -0.526   9.526
  270    HD2  HIS  38           HD2      HIS  38   2.918   2.174  10.896
  271    HE1  HIS  38           HE1      HIS  38   6.226   1.658   8.270
  272    H    HIS  39           H        HIS  39   2.409  -4.215   9.909
  273    HA   HIS  39           HA       HIS  39   1.555  -5.007  12.554
  274   1HB   HIS  39          1HB       HIS  39   0.491  -6.809  11.533
  275   2HB   HIS  39          2HB       HIS  39   0.302  -5.499  10.384
  276    HD1  HIS  39           HD1      HIS  39   1.352  -8.960  10.587
  277    HD2  HIS  39           HD2      HIS  39   2.386  -5.660   8.213
  278    HE1  HIS  39           HE1      HIS  39   2.507  -9.903   8.516
  279    H    GLN  40           H        GLN  40   4.262  -4.370  12.561
  280    HA   GLN  40           HA       GLN  40   5.534  -6.988  12.444
  281   1HB   GLN  40          1HB       GLN  40   6.570  -4.164  12.155
  282   2HB   GLN  40          2HB       GLN  40   7.663  -5.418  12.706
  283   1HG   GLN  40          1HG       GLN  40   7.465  -4.957  10.128
  284   2HG   GLN  40          2HG       GLN  40   7.544  -6.616  10.685
  285   2HE2  GLN  40          2HE2      GLN  40   5.758  -7.932  10.620
  286   1HE2  GLN  40          1HE2      GLN  40   4.313  -7.552   9.744
  287    HA   PRO  41           HA       PRO  41   5.734  -7.323  16.803
  288   1HB   PRO  41          1HB       PRO  41   8.246  -8.492  17.057
  289   2HB   PRO  41          2HB       PRO  41   6.782  -9.356  16.484
  290   1HG   PRO  41          2HG       PRO  41   8.921  -8.103  14.848
  291   2HG   PRO  41          1HG       PRO  41   8.250  -9.748  14.602
  292   1HD   PRO  41          1HD       PRO  41   7.345  -7.732  13.090
  293   2HD   PRO  41          2HD       PRO  41   6.147  -8.828  13.843
  294    H    GLY  42           H        GLY  42   6.836  -6.375  18.712
  295   1HA   GLY  42          2HA       GLY  42   8.109  -4.853  19.786
  296   2HA   GLY  42          1HA       GLY  42   7.638  -3.792  18.473
  297    H    ASP  43           H        ASP  43   9.919  -2.938  19.205
  298    HA   ASP  43           HA       ASP  43  12.059  -2.711  18.872
  299   1HB   ASP  43          2HB       ASP  43  12.213  -5.482  17.616
  300   2HB   ASP  43          1HB       ASP  43  13.519  -4.578  18.355
  301    H    LYS  44           H        LYS  44  10.850  -4.911  16.216
  302    HA   LYS  44           HA       LYS  44  11.777  -2.895  14.291
  303   1HB   LYS  44          2HB       LYS  44  12.071  -4.727  12.705
  304   2HB   LYS  44          1HB       LYS  44  13.035  -4.979  14.146
  305   1HG   LYS  44          1HG       LYS  44  11.134  -6.442  15.049
  306   2HG   LYS  44          2HG       LYS  44  10.373  -6.313  13.476
  307   1HD   LYS  44          1HD       LYS  44  12.094  -7.531  12.390
  308   2HD   LYS  44          2HD       LYS  44  13.263  -7.207  13.655
  309   1HE   LYS  44          1HE       LYS  44  12.588  -9.002  14.909
  310   2HE   LYS  44          2HE       LYS  44  10.888  -8.666  14.650
  311   1HZ   LYS  44          1HZ       LYS  44  12.619  -9.847  12.594
  312   2HZ   LYS  44          2HZ       LYS  44  11.704 -10.731  13.618
  313   3HZ   LYS  44          3HZ       LYS  44  10.992  -9.717  12.555
  314    H    GLN  45           H        GLN  45   9.203  -2.997  15.847
  315    HA   GLN  45           HA       GLN  45   7.171  -4.005  14.303
  316   1HB   GLN  45          1HB       GLN  45   6.617  -3.337  16.505
  317   2HB   GLN  45          2HB       GLN  45   7.355  -1.758  16.323
  318   1HG   GLN  45          1HG       GLN  45   5.571  -1.138  14.659
  319   2HG   GLN  45          2HG       GLN  45   4.819  -2.702  14.903
  320   2HE2  GLN  45          2HE2      GLN  45   2.991  -1.303  15.467
  321   1HE2  GLN  45          1HE2      GLN  45   2.803  -0.766  17.103
  322    H    TYR  46           H        TYR  46   9.253  -1.310  13.817
  323    HA   TYR  46           HA       TYR  46   7.551  -0.366  11.557
  324   1HB   TYR  46          1HB       TYR  46   9.462   1.209  13.315
  325   2HB   TYR  46          2HB       TYR  46   8.594   1.849  11.908
  326    HD1  TYR  46           HD1      TYR  46   8.299   0.737  15.406
  327    HD2  TYR  46           HD2      TYR  46   6.199   2.292  11.997
  328    HE1  TYR  46           HE1      TYR  46   6.369   1.309  16.855
  329    HE2  TYR  46           HE2      TYR  46   4.269   2.863  13.446
  330    HH   TYR  46           HH       TYR  46   3.465   1.748  16.065
  331    H    ALA  47           H        ALA  47   8.865  -2.316  10.538
  332    HA   ALA  47           HA       ALA  47  11.477  -1.251   9.706
  333   1HB   ALA  47          1HB       ALA  47  10.635  -3.830  10.745
  334   2HB   ALA  47          3HB       ALA  47  12.277  -3.232  10.404
  335   3HB   ALA  47          2HB       ALA  47  11.327  -4.009   9.114
  336    H    GLY  48           H        GLY  48  12.005  -2.616   7.446
  337   1HA   GLY  48          2HA       GLY  48  11.609  -2.494   5.230
  338   2HA   GLY  48          1HA       GLY  48  10.256  -1.427   5.549
  339    H    CYS  49           H        CYS  49   8.884  -2.456   3.995
  340    HA   CYS  49           HA       CYS  49   7.558  -4.759   5.057
  341   1HB   CYS  49          1HB       CYS  49   7.000  -3.414   2.416
  342   2HB   CYS  49          2HB       CYS  49   5.921  -4.406   3.376
  343    H    THR  50           H        THR  50   9.926  -3.906   2.544
  344    HA   THR  50           HA       THR  50   9.730  -6.542   1.322
  345    HB   THR  50           HB       THR  50  11.478  -5.475  -0.216
  346    HG1  THR  50           HG1      THR  50  12.119  -3.985   1.618
  347   1HG2  THR  50          1HG2      THR  50   8.751  -4.267   0.290
  348   2HG2  THR  50          2HG2      THR  50   9.859  -3.413  -0.811
  349   3HG2  THR  50          3HG2      THR  50   9.363  -5.085  -1.167
  350    H    THR  51           H        THR  51  10.663  -5.991   4.204
  351    HA   THR  51           HA       THR  51  13.448  -6.530   4.220
  352    HB   THR  51           HB       THR  51  11.357  -7.041   6.395
  353    HG1  THR  51           HG1      THR  51  11.630  -4.758   6.755
  354   1HG2  THR  51          1HG2      THR  51  14.333  -6.340   6.366
  355   2HG2  THR  51          2HG2      THR  51  13.309  -6.108   7.803
  356   3HG2  THR  51          3HG2      THR  51  13.559  -7.742   7.143
  357    H    ASP  52           H        ASP  52  14.520  -8.486   4.969
  358    HA   ASP  52           HA       ASP  52  13.831 -10.640   3.452
  359   1HB   ASP  52          1HB       ASP  52  15.870  -9.934   5.286
  360   2HB   ASP  52          2HB       ASP  52  15.205 -11.422   5.930
  361    H    GLY  53           H        GLY  53  13.022 -12.830   4.144
  362   1HA   GLY  53          2HA       GLY  53  11.999 -13.440   6.651
  363   2HA   GLY  53          1HA       GLY  53  11.517 -14.172   5.134
  364    H    CYS  54           H        CYS  54  10.790 -11.246   4.196
  365    HA   CYS  54           HA       CYS  54   8.150 -11.312   5.451
  366   1HB   CYS  54          2HB       CYS  54   9.593  -8.733   4.784
  367   2HB   CYS  54          1HB       CYS  54   8.063  -8.919   5.618
  368    H    HIS  55           H        HIS  55   8.069  -8.658   3.561
  369    HA   HIS  55           HA       HIS  55   7.164 -10.195   1.272
  370   1HB   HIS  55          2HB       HIS  55   6.837  -7.227   1.736
  371   2HB   HIS  55          1HB       HIS  55   5.934  -8.254   0.641
  372    HD1  HIS  55           HD1      HIS  55   4.306 -10.086   1.839
  373    HD2  HIS  55           HD2      HIS  55   5.755  -6.983   4.262
  374    HE1  HIS  55           HE1      HIS  55   2.814 -10.039   3.908
  375    H    ASN  56           H        ASN  56   9.891 -10.370   1.467
  376    HA   ASN  56           HA       ASN  56  11.038  -8.224  -0.039
  377   1HB   ASN  56          1HB       ASN  56  12.302  -9.423   1.790
  378   2HB   ASN  56          2HB       ASN  56  12.229 -10.903   0.856
  379   2HD2  ASN  56          2HD2      ASN  56  14.560  -9.537   1.753
  380   1HD2  ASN  56          1HD2      ASN  56  15.493  -9.064   0.373
  381    H    ILE  57           H        ILE  57   9.267  -8.891  -1.806
  382    HA   ILE  57           HA       ILE  57  10.582 -10.778  -3.620
  383    HB   ILE  57           HB       ILE  57   7.604 -10.618  -3.153
  384   1HG1  ILE  57          1HG1      ILE  57   9.131 -11.653  -1.305
  385   2HG1  ILE  57          2HG1      ILE  57   7.680 -12.489  -1.819
  386   1HG2  ILE  57          1HG2      ILE  57   8.329 -11.186  -5.466
  387   2HG2  ILE  57          2HG2      ILE  57   9.205 -12.588  -4.805
  388   3HG2  ILE  57          3HG2      ILE  57   7.435 -12.490  -4.649
  389   1HD1  ILE  57          1HD1      ILE  57  10.389 -13.041  -3.095
  390   2HD1  ILE  57          2HD1      ILE  57   9.816 -13.913  -1.653
  391   3HD1  ILE  57          3HD1      ILE  57   8.915 -14.034  -3.183
  392    H    LEU  58           H        LEU  58  11.359  -9.512  -5.225
  393    HA   LEU  58           HA       LEU  58   9.751  -7.198  -5.999
  394   1HB   LEU  58          1HB       LEU  58  12.621  -7.909  -6.622
  395   2HB   LEU  58          2HB       LEU  58  11.797  -6.451  -7.135
  396    HG   LEU  58           HG       LEU  58  12.493  -7.256  -4.301
  397   1HD1  LEU  58          1HD1      LEU  58  14.246  -6.279  -5.924
  398   2HD1  LEU  58          2HD1      LEU  58  13.357  -4.749  -5.727
  399   3HD1  LEU  58          3HD1      LEU  58  14.076  -5.550  -4.309
  400   1HD2  LEU  58          1HD2      LEU  58  10.476  -5.355  -5.306
  401   2HD2  LEU  58          2HD2      LEU  58  10.635  -6.140  -3.716
  402   3HD2  LEU  58          3HD2      LEU  58  11.599  -4.692  -4.093
  403    H    ASP  59           H        ASP  59   9.603 -10.328  -6.659
  404    HA   ASP  59           HA       ASP  59   9.723 -10.047  -9.536
  405   1HB   ASP  59          1HB       ASP  59   9.079 -12.595  -9.325
  406   2HB   ASP  59          2HB       ASP  59  10.715 -12.087  -8.959
  407    H    LYS  60           H        LYS  60   7.741  -8.509  -9.238
  408    HA   LYS  60           HA       LYS  60   5.345  -9.153  -8.200
  409   1HB   LYS  60          2HB       LYS  60   4.364  -7.635  -9.831
  410   2HB   LYS  60          1HB       LYS  60   5.883  -7.003  -9.231
  411   1HG   LYS  60          1HG       LYS  60   7.008  -8.053 -11.293
  412   2HG   LYS  60          2HG       LYS  60   5.401  -8.382 -11.909
  413   1HD   LYS  60          1HD       LYS  60   5.226  -5.692 -11.164
  414   2HD   LYS  60          2HD       LYS  60   6.869  -5.815 -11.761
  415   1HE   LYS  60          1HE       LYS  60   5.819  -5.441 -13.787
  416   2HE   LYS  60          2HE       LYS  60   5.654  -7.186 -13.747
  417   1HZ   LYS  60          1HZ       LYS  60   3.628  -5.302 -12.754
  418   2HZ   LYS  60          2HZ       LYS  60   3.572  -6.059 -14.200
  419   3HZ   LYS  60          3HZ       LYS  60   3.476  -6.927 -12.820
  420    H    ALA  61           H        ALA  61   3.498 -10.341  -8.769
  421    HA   ALA  61           HA       ALA  61   2.252 -11.818  -9.889
  422   1HB   ALA  61          1HB       ALA  61   4.330 -12.217 -12.033
  423   2HB   ALA  61          3HB       ALA  61   2.555 -12.220 -12.160
  424   3HB   ALA  61          2HB       ALA  61   3.431 -10.683 -11.965
  425    H    ASP  62           H        ASP  62   3.779 -12.522  -7.709
  426    HA   ASP  62           HA       ASP  62   5.041 -15.012  -8.520
  427   1HB   ASP  62          1HB       ASP  62   6.282 -13.310  -7.062
  428   2HB   ASP  62          2HB       ASP  62   5.111 -13.631  -5.798
  429    H    LYS  63           H        LYS  63   4.742 -16.750  -6.538
  430    HA   LYS  63           HA       LYS  63   1.908 -16.669  -5.766
  431   1HB   LYS  63          1HB       LYS  63   2.957 -18.380  -7.625
  432   2HB   LYS  63          2HB       LYS  63   3.140 -19.327  -6.162
  433   1HG   LYS  63          1HG       LYS  63   0.664 -18.675  -5.647
  434   2HG   LYS  63          2HG       LYS  63   0.581 -18.154  -7.318
  435   1HD   LYS  63          1HD       LYS  63   1.737 -20.642  -7.618
  436   2HD   LYS  63          2HD       LYS  63   0.748 -20.915  -6.198
  437   1HE   LYS  63          1HE       LYS  63  -0.530 -19.459  -8.506
  438   2HE   LYS  63          2HE       LYS  63  -0.232 -21.175  -8.705
  439   1HZ   LYS  63          1HZ       LYS  63  -1.488 -20.250  -6.251
  440   2HZ   LYS  63          2HZ       LYS  63  -2.391 -20.355  -7.608
  441   3HZ   LYS  63          3HZ       LYS  63  -1.649 -21.684  -7.016
  442    H    SER  64           H        SER  64   2.552 -15.672  -3.751
  443    HA   SER  64           HA       SER  64   2.986 -17.543  -1.761
  444   1HB   SER  64          1HB       SER  64   5.427 -16.175  -2.810
  445   2HB   SER  64          2HB       SER  64   5.268 -16.204  -1.065
  446    HG   SER  64           HG       SER  64   5.627 -18.330  -1.025
  447    H    VAL  65           H        VAL  65   3.154 -16.421   0.450
  448    HA   VAL  65           HA       VAL  65   1.645 -13.950   0.295
  449    HB   VAL  65           HB       VAL  65   0.796 -15.689   1.706
  450   1HG1  VAL  65          1HG1      VAL  65   3.618 -15.850   2.642
  451   2HG1  VAL  65          2HG1      VAL  65   2.349 -16.120   3.861
  452   3HG1  VAL  65          3HG1      VAL  65   2.411 -17.135   2.400
  453   1HG2  VAL  65          1HG2      VAL  65   0.933 -13.153   2.451
  454   2HG2  VAL  65          2HG2      VAL  65   0.279 -14.399   3.540
  455   3HG2  VAL  65          3HG2      VAL  65   1.951 -13.823   3.747
  456    H    ASN  66           H        ASN  66   4.332 -13.750  -0.652
  457    HA   ASN  66           HA       ASN  66   5.378 -12.036   1.453
  458   1HB   ASN  66          2HB       ASN  66   7.063 -13.770  -0.430
  459   2HB   ASN  66          1HB       ASN  66   7.691 -12.703   0.810
  460   2HD2  ASN  66          2HD2      ASN  66   6.666 -13.076   3.041
  461   1HD2  ASN  66          1HD2      ASN  66   6.573 -14.717   3.585
  462    H    SER  67           H        SER  67   3.841 -12.067  -1.383
  463    HA   SER  67           HA       SER  67   5.644 -10.640  -3.042
  464   1HB   SER  67          1HB       SER  67   3.262 -10.200  -4.233
  465   2HB   SER  67          2HB       SER  67   4.130 -11.713  -4.395
  466    HG   SER  67           HG       SER  67   1.908 -12.072  -3.809
  467    H    TRP  68           H        TRP  68   5.815  -8.399  -3.334
  468    HA   TRP  68           HA       TRP  68   4.429  -6.793  -1.346
  469   1HB   TRP  68          1HB       TRP  68   6.706  -6.356  -1.330
  470   2HB   TRP  68          2HB       TRP  68   6.849  -6.426  -3.075
  471    HD1  TRP  68           HD1      TRP  68   6.961  -4.085  -4.236
  472    HE1  TRP  68           HE1      TRP  68   6.409  -1.569  -3.662
  473    HE3  TRP  68           HE3      TRP  68   4.843  -5.033   0.289
  474    HZ2  TRP  68           HZ2      TRP  68   5.175  -0.287  -1.431
  475    HZ3  TRP  68           HZ3      TRP  68   3.990  -3.093   1.601
  476    HH2  TRP  68           HH2      TRP  68   4.130  -0.785   0.809
  477    H    TYR  69           H        TYR  69   3.440  -8.094  -4.008
  478    HA   TYR  69           HA       TYR  69   2.259  -5.604  -5.148
  479   1HB   TYR  69          1HB       TYR  69   3.747  -6.631  -6.749
  480   2HB   TYR  69          2HB       TYR  69   3.025  -8.224  -6.470
  481    HD1  TYR  69           HD1      TYR  69   0.539  -8.531  -7.071
  482    HD2  TYR  69           HD2      TYR  69   2.916  -5.221  -8.428
  483    HE1  TYR  69           HE1      TYR  69  -1.082  -8.118  -8.902
  484    HE2  TYR  69           HE2      TYR  69   1.295  -4.807 -10.259
  485    HH   TYR  69           HH       TYR  69  -1.785  -6.467 -10.479
  486    H    LYS  70           H        LYS  70   1.677  -8.473  -3.341
  487    HA   LYS  70           HA       LYS  70  -1.072  -8.618  -4.328
  488   1HB   LYS  70          1HB       LYS  70   0.435 -10.678  -4.139
  489   2HB   LYS  70          2HB       LYS  70   0.281 -10.515  -2.401
  490   1HG   LYS  70          1HG       LYS  70  -2.368 -10.269  -3.322
  491   2HG   LYS  70          2HG       LYS  70  -1.683 -11.500  -4.365
  492   1HD   LYS  70          2HD       LYS  70  -1.738 -11.517  -1.314
  493   2HD   LYS  70          1HD       LYS  70  -2.626 -12.583  -2.385
  494   1HE   LYS  70          1HE       LYS  70  -0.698 -13.802  -3.002
  495   2HE   LYS  70          2HE       LYS  70   0.390 -12.486  -2.608
  496   1HZ   LYS  70          1HZ       LYS  70  -1.189 -13.828  -0.540
  497   2HZ   LYS  70          2HZ       LYS  70   0.270 -14.394  -1.007
  498   3HZ   LYS  70          3HZ       LYS  70   0.143 -12.903  -0.351
  499    H    VAL  71           H        VAL  71   0.922  -8.135  -1.357
  500    HA   VAL  71           HA       VAL  71  -1.273  -7.780   0.356
  501    HB   VAL  71           HB       VAL  71   0.414  -6.775   1.854
  502   1HG1  VAL  71          1HG1      VAL  71   0.126  -9.366   1.167
  503   2HG1  VAL  71          2HG1      VAL  71   1.839  -9.136   0.739
  504   3HG1  VAL  71          3HG1      VAL  71   1.283  -8.804   2.397
  505   1HG2  VAL  71          1HG2      VAL  71   1.696  -5.925  -0.381
  506   2HG2  VAL  71          2HG2      VAL  71   2.472  -6.079   1.214
  507   3HG2  VAL  71          3HG2      VAL  71   2.655  -7.374   0.006
  508    H    VAL  72           H        VAL  72  -0.249  -5.954  -2.303
  509    HA   VAL  72           HA       VAL  72  -1.210  -3.457  -1.111
  510    HB   VAL  72           HB       VAL  72   0.394  -4.068  -3.598
  511   1HG1  VAL  72          1HG1      VAL  72  -0.634  -1.392  -2.592
  512   2HG1  VAL  72          2HG1      VAL  72   0.542  -1.616  -3.910
  513   3HG1  VAL  72          3HG1      VAL  72  -1.121  -2.225  -4.088
  514   1HG2  VAL  72          1HG2      VAL  72   1.326  -3.976  -1.088
  515   2HG2  VAL  72          2HG2      VAL  72   2.255  -3.364  -2.478
  516   3HG2  VAL  72          3HG2      VAL  72   1.347  -2.232  -1.447
  517    H    HIS  73           H        HIS  73  -1.539  -5.559  -4.053
  518    HA   HIS  73           HA       HIS  73  -4.072  -4.234  -4.587
  519   1HB   HIS  73          1HB       HIS  73  -2.563  -6.247  -6.275
  520   2HB   HIS  73          2HB       HIS  73  -3.959  -5.307  -6.765
  521    HD1  HIS  73           HD1      HIS  73  -0.256  -4.991  -6.089
  522    HD2  HIS  73           HD2      HIS  73  -3.429  -2.640  -7.502
  523    HE1  HIS  73           HE1      HIS  73   0.797  -2.885  -7.072
  524    H    ASP  74           H        ASP  74  -3.591  -6.099  -2.270
  525    HA   ASP  74           HA       ASP  74  -4.848  -8.526  -2.999
  526   1HB   ASP  74          1HB       ASP  74  -3.579  -7.338  -0.651
  527   2HB   ASP  74          2HB       ASP  74  -5.086  -8.103  -0.186
  528    H    ALA  75           H        ALA  75  -7.046  -8.518  -3.520
  529    HA   ALA  75           HA       ALA  75  -8.755  -6.501  -2.328
  530   1HB   ALA  75          1HB       ALA  75  -8.613  -7.929  -4.800
  531   2HB   ALA  75          3HB       ALA  75 -10.150  -8.365  -4.014
  532   3HB   ALA  75          2HB       ALA  75  -9.764  -6.656  -4.327
  533    H    LYS  76           H        LYS  76  -7.575  -9.553  -1.501
  534    HA   LYS  76           HA       LYS  76 -10.061 -10.528  -0.391
  535   1HB   LYS  76          1HB       LYS  76  -8.180 -11.923  -1.498
  536   2HB   LYS  76          2HB       LYS  76  -7.326 -11.733   0.020
  537   1HG   LYS  76          1HG       LYS  76  -9.551 -12.552   1.141
  538   2HG   LYS  76          2HG       LYS  76 -10.005 -13.086  -0.465
  539   1HD   LYS  76          1HD       LYS  76  -7.986 -14.504  -0.611
  540   2HD   LYS  76          2HD       LYS  76  -7.412 -13.900   0.931
  541   1HE   LYS  76          1HE       LYS  76  -8.600 -15.504   2.006
  542   2HE   LYS  76          2HE       LYS  76 -10.089 -14.838   1.366
  543   1HZ   LYS  76          1HZ       LYS  76  -9.720 -16.145  -0.634
  544   2HZ   LYS  76          2HZ       LYS  76  -8.369 -16.797   0.010
  545   3HZ   LYS  76          3HZ       LYS  76  -9.823 -17.097   0.689
  546    H    GLY  77           H        GLY  77 -10.346 -10.951   1.915
  547   1HA   GLY  77          2HA       GLY  77 -10.445  -9.227   3.714
  548   2HA   GLY  77          1HA       GLY  77  -8.697  -9.166   3.603
  549    H    GLY  78           H        GLY  78  -9.025  -9.741   6.011
  550   1HA   GLY  78          2HA       GLY  78  -8.523 -12.567   6.311
  551   2HA   GLY  78          1HA       GLY  78 -10.029 -12.035   7.031
  552    H    ALA  79           H        ALA  79  -6.470 -11.530   7.006
  553    HA   ALA  79           HA       ALA  79  -6.497 -11.099   9.826
  554   1HB   ALA  79          1HB       ALA  79  -4.095 -11.083   9.594
  555   2HB   ALA  79          3HB       ALA  79  -4.212 -10.770   7.845
  556   3HB   ALA  79          2HB       ALA  79  -4.732 -12.339   8.506
  557    H    LYS  80           H        LYS  80  -5.822  -9.094   6.885
  558    HA   LYS  80           HA       LYS  80  -6.751  -6.772   8.278
  559   1HB   LYS  80          1HB       LYS  80  -4.455  -5.612   7.624
  560   2HB   LYS  80          2HB       LYS  80  -4.706  -6.364   9.186
  561   1HG   LYS  80          1HG       LYS  80  -3.687  -8.491   8.303
  562   2HG   LYS  80          2HG       LYS  80  -3.395  -7.697   6.769
  563   1HD   LYS  80          2HD       LYS  80  -2.219  -6.886   9.468
  564   2HD   LYS  80          1HD       LYS  80  -1.352  -7.649   8.151
  565   1HE   LYS  80          1HE       LYS  80  -1.869  -5.652   6.694
  566   2HE   LYS  80          2HE       LYS  80  -2.655  -4.886   8.060
  567   1HZ   LYS  80          1HZ       LYS  80   0.025  -5.862   8.499
  568   2HZ   LYS  80          2HZ       LYS  80  -0.123  -4.557   7.529
  569   3HZ   LYS  80          3HZ       LYS  80  -0.695  -4.507   9.057
  570    HA   PRO  81           HA       PRO  81  -7.751  -5.644   4.173
  571   1HB   PRO  81          1HB       PRO  81  -7.855  -2.910   4.378
  572   2HB   PRO  81          2HB       PRO  81  -9.014  -3.989   5.221
  573   1HG   PRO  81          1HG       PRO  81  -6.695  -2.671   6.131
  574   2HG   PRO  81          2HG       PRO  81  -8.205  -2.788   7.093
  575   1HD   PRO  81          1HD       PRO  81  -5.992  -4.349   7.597
  576   2HD   PRO  81          2HD       PRO  81  -7.655  -4.972   7.820
  577    H    THR  82           H        THR  82  -6.986  -3.615   2.501
  578    HA   THR  82           HA       THR  82  -4.063  -3.490   2.638
  579    HB   THR  82           HB       THR  82  -4.051  -4.169   0.178
  580    HG1  THR  82           HG1      THR  82  -6.206  -5.380  -0.249
  581   1HG2  THR  82          1HG2      THR  82  -4.516  -5.902   2.478
  582   2HG2  THR  82          2HG2      THR  82  -5.341  -6.569   1.049
  583   3HG2  THR  82          3HG2      THR  82  -3.591  -6.251   0.998
  584    H    CYS  83           H        CYS  83  -3.658  -2.261   0.143
  585    HA   CYS  83           HA       CYS  83  -4.540   0.358   0.838
  586   1HB   CYS  83          1HB       CYS  83  -3.106  -0.403  -1.699
  587   2HB   CYS  83          2HB       CYS  83  -3.105   1.137  -0.864
  588    H    ILE  84           H        ILE  84  -6.034  -2.250  -0.627
  589    HA   ILE  84           HA       ILE  84  -7.564  -0.511  -2.436
  590    HB   ILE  84           HB       ILE  84  -6.635  -3.334  -2.640
  591   1HG1  ILE  84          1HG1      ILE  84  -5.592  -1.330  -3.817
  592   2HG1  ILE  84          2HG1      ILE  84  -5.986  -2.721  -4.807
  593   1HG2  ILE  84          1HG2      ILE  84  -9.343  -2.366  -3.413
  594   2HG2  ILE  84          2HG2      ILE  84  -8.471  -3.397  -4.573
  595   3HG2  ILE  84          3HG2      ILE  84  -8.793  -3.987  -2.924
  596   1HD1  ILE  84          1HD1      ILE  84  -8.036  -0.520  -4.477
  597   2HD1  ILE  84          2HD1      ILE  84  -6.685  -0.308  -5.616
  598   3HD1  ILE  84          3HD1      ILE  84  -7.822  -1.661  -5.826
  599    H    SER  85           H        SER  85  -7.686  -3.171  -0.001
  600    HA   SER  85           HA       SER  85 -10.378  -3.500   0.084
  601   1HB   SER  85          1HB       SER  85  -8.287  -4.547   1.444
  602   2HB   SER  85          2HB       SER  85  -8.894  -3.481   2.696
  603    HG   SER  85           HG       SER  85 -10.246  -5.667   1.392
  604    H    CYS  86           H        CYS  86  -8.408  -1.371   2.295
  605    HA   CYS  86           HA       CYS  86 -10.583  -0.161   3.494
  606   1HB   CYS  86          1HB       CYS  86  -8.123  -0.130   4.208
  607   2HB   CYS  86          2HB       CYS  86  -7.904   1.184   3.069
  608    H    HIS  87           H        HIS  87  -8.425   1.033   0.809
  609    HA   HIS  87           HA       HIS  87  -9.696   3.353   0.247
  610   1HB   HIS  87          1HB       HIS  87  -8.196   1.367  -1.429
  611   2HB   HIS  87          2HB       HIS  87  -8.963   2.735  -2.211
  612    HD1  HIS  87           HD1      HIS  87  -6.758   3.911  -2.831
  613    HD2  HIS  87           HD2      HIS  87  -7.182   3.194   1.280
  614    HE1  HIS  87           HE1      HIS  87  -4.900   5.229  -1.680
  615    H    LYS  88           H        LYS  88 -10.653   0.018  -0.675
  616    HA   LYS  88           HA       LYS  88 -12.662   0.733  -2.472
  617   1HB   LYS  88          1HB       LYS  88 -11.826  -1.681  -0.980
  618   2HB   LYS  88          2HB       LYS  88 -13.518  -1.642  -1.433
  619   1HG   LYS  88          1HG       LYS  88 -11.267  -1.053  -3.407
  620   2HG   LYS  88          2HG       LYS  88 -11.916  -2.662  -3.163
  621   1HD   LYS  88          1HD       LYS  88 -14.223  -1.117  -3.512
  622   2HD   LYS  88          2HD       LYS  88 -13.087  -0.363  -4.613
  623   1HE   LYS  88          1HE       LYS  88 -12.913  -2.253  -5.964
  624   2HE   LYS  88          2HE       LYS  88 -13.168  -3.366  -4.635
  625   1HZ   LYS  88          1HZ       LYS  88 -15.436  -1.737  -5.107
  626   2HZ   LYS  88          2HZ       LYS  88 -15.026  -2.596  -6.434
  627   3HZ   LYS  88          3HZ       LYS  88 -15.328  -3.365  -5.025
  628    H    ASP  89           H        ASP  89 -12.694   0.204   1.102
  629    HA   ASP  89           HA       ASP  89 -15.394   0.438   1.446
  630   1HB   ASP  89          1HB       ASP  89 -13.340  -0.025   3.102
  631   2HB   ASP  89          2HB       ASP  89 -13.485   1.690   3.428
  632    H    LYS  90           H        LYS  90 -12.770   2.911   1.236
  633    HA   LYS  90           HA       LYS  90 -14.307   5.123   1.973
  634   1HB   LYS  90          1HB       LYS  90 -11.705   4.659   0.582
  635   2HB   LYS  90          2HB       LYS  90 -12.431   6.246   0.431
  636   1HG   LYS  90          1HG       LYS  90 -12.062   4.856   3.121
  637   2HG   LYS  90          2HG       LYS  90 -10.848   5.915   2.430
  638   1HD   LYS  90          1HD       LYS  90 -12.299   7.829   2.521
  639   2HD   LYS  90          2HD       LYS  90 -13.727   6.841   2.762
  640   1HE   LYS  90          1HE       LYS  90 -11.433   7.135   4.762
  641   2HE   LYS  90          2HE       LYS  90 -12.984   7.940   4.881
  642   1HZ   LYS  90          1HZ       LYS  90 -13.460   5.239   4.518
  643   2HZ   LYS  90          2HZ       LYS  90 -12.328   5.370   5.688
  644   3HZ   LYS  90          3HZ       LYS  90 -13.759   6.140   5.847
  645    H    ALA  91           H        ALA  91 -13.875   3.377  -1.118
  646    HA   ALA  91           HA       ALA  91 -15.591   5.349  -2.427
  647   1HB   ALA  91          1HB       ALA  91 -14.420   3.016  -3.886
  648   2HB   ALA  91          3HB       ALA  91 -14.588   4.714  -4.392
  649   3HB   ALA  91          2HB       ALA  91 -13.285   4.244  -3.276
  650    H    GLY  92           H        GLY  92 -16.416   3.299  -0.305
  651   1HA   GLY  92          2HA       GLY  92 -17.877   1.547  -0.067
  652   2HA   GLY  92          1HA       GLY  92 -18.021   1.402  -1.808
  653    H    ASP  93           H        ASP  93 -18.897   3.763  -2.774
  654    HA   ASP  93           HA       ASP  93 -21.529   3.783  -2.305
  655   1HB   ASP  93          1HB       ASP  93 -21.748   6.002  -0.969
  656   2HB   ASP  93          2HB       ASP  93 -21.420   4.537  -0.066
  657    H    ASP  94           H        ASP  94 -18.870   6.286  -2.293
  658    HA   ASP  94           HA       ASP  94 -20.188   7.812  -4.277
  659   1HB   ASP  94          1HB       ASP  94 -18.714   8.837  -2.564
  660   2HB   ASP  94          2HB       ASP  94 -17.345   7.922  -3.165
  661    H    LYS  95           H        LYS  95 -20.029   7.453  -6.500
  662    HA   LYS  95           HA       LYS  95 -18.365   5.357  -7.460
  663   1HB   LYS  95          1HB       LYS  95 -20.235   7.334  -8.780
  664   2HB   LYS  95          2HB       LYS  95 -19.298   6.174  -9.700
  665   1HG   LYS  95          1HG       LYS  95 -20.607   4.410  -9.051
  666   2HG   LYS  95          2HG       LYS  95 -20.683   4.951  -7.387
  667   1HD   LYS  95          1HD       LYS  95 -22.198   6.892  -8.670
  668   2HD   LYS  95          2HD       LYS  95 -22.561   5.473  -9.632
  669   1HE   LYS  95          1HE       LYS  95 -22.591   4.839  -6.762
  670   2HE   LYS  95          2HE       LYS  95 -23.691   6.153  -7.129
  671   1HZ   LYS  95          1HZ       LYS  95 -24.581   4.744  -8.922
  672   2HZ   LYS  95          2HZ       LYS  95 -23.647   3.508  -8.402
  673   3HZ   LYS  95          3HZ       LYS  95 -24.813   4.115  -7.433
  674    H    GLU  96           H        GLU  96 -18.275   8.946  -7.462
  675    HA   GLU  96           HA       GLU  96 -16.131   9.127  -9.236
  676   1HB   GLU  96          1HB       GLU  96 -17.079  11.052  -7.068
  677   2HB   GLU  96          2HB       GLU  96 -15.918  11.462  -8.315
  678   1HG   GLU  96          1HG       GLU  96 -17.523  11.333 -10.050
  679   2HG   GLU  96          2HG       GLU  96 -18.592  10.296  -9.126
  680    H    LEU  97           H        LEU  97 -16.390   8.420  -5.782
  681    HA   LEU  97           HA       LEU  97 -13.677   9.052  -5.184
  682   1HB   LEU  97          1HB       LEU  97 -15.733   8.976  -3.638
  683   2HB   LEU  97          2HB       LEU  97 -15.480   7.243  -3.597
  684    HG   LEU  97           HG       LEU  97 -14.466   8.186  -1.657
  685   1HD1  LEU  97          1HD1      LEU  97 -13.221   6.418  -3.126
  686   2HD1  LEU  97          2HD1      LEU  97 -12.054   7.737  -3.382
  687   3HD1  LEU  97          3HD1      LEU  97 -12.402   7.165  -1.733
  688   1HD2  LEU  97          1HD2      LEU  97 -13.000  10.068  -3.525
  689   2HD2  LEU  97          2HD2      LEU  97 -14.251  10.490  -2.330
  690   3HD2  LEU  97          3HD2      LEU  97 -12.666   9.890  -1.785
  691    H    LYS  98           H        LYS  98 -15.358   6.414  -6.724
  692    HA   LYS  98           HA       LYS  98 -13.264   4.515  -6.122
  693   1HB   LYS  98          1HB       LYS  98 -15.662   3.859  -6.211
  694   2HB   LYS  98          2HB       LYS  98 -15.696   4.260  -7.916
  695   1HG   LYS  98          1HG       LYS  98 -14.793   2.252  -8.457
  696   2HG   LYS  98          2HG       LYS  98 -13.405   2.556  -7.431
  697   1HD   LYS  98          1HD       LYS  98 -14.468   0.544  -6.606
  698   2HD   LYS  98          2HD       LYS  98 -14.784   1.808  -5.434
  699   1HE   LYS  98          1HE       LYS  98 -16.993   2.192  -6.878
  700   2HE   LYS  98          2HE       LYS  98 -16.687   0.557  -7.429
  701   1HZ   LYS  98          1HZ       LYS  98 -16.436   0.857  -4.609
  702   2HZ   LYS  98          2HZ       LYS  98 -17.935   1.209  -5.154
  703   3HZ   LYS  98          3HZ       LYS  98 -17.274  -0.252  -5.467
  704    H    LYS  99           H        LYS  99 -12.751   7.132  -7.588
  705    HA   LYS  99           HA       LYS  99 -11.373   5.881  -9.834
  706   1HB   LYS  99          1HB       LYS  99 -13.434   8.041  -9.999
  707   2HB   LYS  99          2HB       LYS  99 -12.035   8.162 -11.047
  708   1HG   LYS  99          1HG       LYS  99 -12.528   6.142 -12.175
  709   2HG   LYS  99          2HG       LYS  99 -13.488   5.514 -10.850
  710   1HD   LYS  99          1HD       LYS  99 -15.389   6.715 -11.460
  711   2HD   LYS  99          2HD       LYS  99 -14.470   8.045 -12.138
  712   1HE   LYS  99          1HE       LYS  99 -13.931   5.619 -13.661
  713   2HE   LYS  99          2HE       LYS  99 -15.663   5.859 -13.541
  714   1HZ   LYS  99          1HZ       LYS  99 -14.123   8.215 -14.130
  715   2HZ   LYS  99          2HZ       LYS  99 -14.149   7.083 -15.307
  716   3HZ   LYS  99          3HZ       LYS  99 -15.548   7.718 -14.753
  717    H    LYS 100           H        LYS 100 -10.188   6.331  -7.406
  718    HA   LYS 100           HA       LYS 100  -8.159   8.158  -8.123
  719   1HB   LYS 100          1HB       LYS 100  -8.613   9.515  -5.879
  720   2HB   LYS 100          2HB       LYS 100  -9.258  10.019  -7.428
  721   1HG   LYS 100          1HG       LYS 100 -11.338   8.555  -6.835
  722   2HG   LYS 100          2HG       LYS 100 -10.702   8.528  -5.203
  723   1HD   LYS 100          1HD       LYS 100 -11.085  11.152  -6.695
  724   2HD   LYS 100          2HD       LYS 100 -12.411  10.403  -5.829
  725   1HE   LYS 100          1HE       LYS 100 -11.043  10.407  -3.730
  726   2HE   LYS 100          2HE       LYS 100  -9.718  11.159  -4.597
  727   1HZ   LYS 100          1HZ       LYS 100 -11.863  12.720  -5.147
  728   2HZ   LYS 100          2HZ       LYS 100 -12.064  12.345  -3.570
  729   3HZ   LYS 100          3HZ       LYS 100 -10.681  13.056  -4.071
  730    H    LEU 101           H        LEU 101  -9.863   6.311  -5.542
  731    HA   LEU 101           HA       LEU 101  -7.298   5.735  -4.302
  732   1HB   LEU 101          2HB       LEU 101 -10.091   4.943  -3.469
  733   2HB   LEU 101          1HB       LEU 101  -8.625   4.736  -2.532
  734    HG   LEU 101           HG       LEU 101 -10.139   7.257  -3.151
  735   1HD1  LEU 101          1HD1      LEU 101 -10.557   5.863  -1.087
  736   2HD1  LEU 101          2HD1      LEU 101  -8.919   6.310  -0.552
  737   3HD1  LEU 101          3HD1      LEU 101 -10.149   7.572  -0.801
  738   1HD2  LEU 101          1HD2      LEU 101  -7.227   7.112  -2.330
  739   2HD2  LEU 101          2HD2      LEU 101  -7.897   7.825  -3.816
  740   3HD2  LEU 101          3HD2      LEU 101  -8.240   8.572  -2.238
  741    H    THR 102           H        THR 102  -9.861   4.257  -6.289
  742    HA   THR 102           HA       THR 102  -8.139   1.883  -6.521
  743    HB   THR 102           HB       THR 102 -10.090   0.466  -6.363
  744    HG1  THR 102           HG1      THR 102 -11.628   1.667  -7.536
  745   1HG2  THR 102          1HG2      THR 102  -9.382   1.836  -4.160
  746   2HG2  THR 102          2HG2      THR 102 -10.967   2.606  -4.413
  747   3HG2  THR 102          3HG2      THR 102 -10.861   0.845  -4.174
  748    H    GLY 103           H        GLY 103  -8.972   4.589  -8.040
  749   1HA   GLY 103          2HA       GLY 103  -8.670   5.062 -10.256
  750   2HA   GLY 103          1HA       GLY 103 -10.243   4.294 -10.333
  751    H    CYS 104           H        CYS 104  -6.798   3.165  -9.958
  752    HA   CYS 104           HA       CYS 104  -5.942   1.217 -10.709
  753   1HB   CYS 104          1HB       CYS 104  -8.456   0.522 -11.141
  754   2HB   CYS 104          2HB       CYS 104  -8.028   0.820 -12.814
  755    H    LYS 105           H        LYS 105  -7.538   3.567 -12.921
  756    HA   LYS 105           HA       LYS 105  -5.005   3.732 -14.384
  757   1HB   LYS 105          1HB       LYS 105  -6.367   2.434 -15.829
  758   2HB   LYS 105          2HB       LYS 105  -7.781   3.426 -15.535
  759   1HG   LYS 105          1HG       LYS 105  -6.202   5.378 -16.483
  760   2HG   LYS 105          2HG       LYS 105  -5.352   4.036 -17.223
  761   1HD   LYS 105          1HD       LYS 105  -8.334   3.985 -17.493
  762   2HD   LYS 105          2HD       LYS 105  -7.517   5.273 -18.357
  763   1HE   LYS 105          1HE       LYS 105  -7.595   3.441 -19.898
  764   2HE   LYS 105          2HE       LYS 105  -5.942   3.476 -19.318
  765   1HZ   LYS 105          1HZ       LYS 105  -6.640   1.802 -17.657
  766   2HZ   LYS 105          2HZ       LYS 105  -8.083   1.685 -18.413
  767   3HZ   LYS 105          3HZ       LYS 105  -6.713   1.273 -19.200
  768    H    GLY 106           H        GLY 106  -4.216   5.670 -13.719
  769   1HA   GLY 106          2HA       GLY 106  -5.699   8.044 -14.367
  770   2HA   GLY 106          1HA       GLY 106  -4.087   7.935 -13.687
  771    H    SER 107           H        SER 107  -4.576   6.373 -11.351
  772    HA   SER 107           HA       SER 107  -6.568   7.949  -9.943
  773   1HB   SER 107          2HB       SER 107  -6.644   6.196  -8.312
  774   2HB   SER 107          1HB       SER 107  -6.622   5.400  -9.873
  775    HG   SER 107           HG       SER 107  -4.951   4.321  -9.080
  776    H    ALA 108           H        ALA 108  -5.641   7.794  -7.312
  777    HA   ALA 108           HA       ALA 108  -3.507   9.707  -7.400
  778   1HB   ALA 108          1HB       ALA 108  -4.286  10.285  -5.346
  779   2HB   ALA 108          3HB       ALA 108  -5.682   9.269  -5.780
  780   3HB   ALA 108          2HB       ALA 108  -4.364   8.595  -4.792
  781    H    CYS 109           H        CYS 109  -3.539   6.416  -7.768
  782    HA   CYS 109           HA       CYS 109  -1.110   6.067  -6.173
  783   1HB   CYS 109          1HB       CYS 109  -3.135   4.062  -7.199
  784   2HB   CYS 109          2HB       CYS 109  -1.560   3.586  -6.595
  785    H    HIS 110           H        HIS 110  -2.693   5.417  -9.375
  786    HA   HIS 110           HA       HIS 110   0.002   5.358 -10.527
  787   1HB   HIS 110          1HB       HIS 110  -2.477   3.861 -11.420
  788   2HB   HIS 110          2HB       HIS 110  -0.965   3.906 -12.303
  789    HD1  HIS 110           HD1      HIS 110   1.162   3.296 -10.302
  790    HD2  HIS 110           HD2      HIS 110  -2.606   1.458 -10.153
  791    HE1  HIS 110           HE1      HIS 110   1.472   1.138  -8.977
  792    HA   PRO 111           HA       PRO 111  -2.057   8.919 -12.438
  793   1HB   PRO 111          1HB       PRO 111  -0.329  10.852 -11.712
  794   2HB   PRO 111          2HB       PRO 111  -1.432  10.122 -10.500
  795   1HG   PRO 111          2HG       PRO 111   1.681   9.400 -10.563
  796   2HG   PRO 111          1HG       PRO 111   0.248   9.689  -9.523
  797   1HD   PRO 111          1HD       PRO 111   1.204   7.184 -10.844
  798   2HD   PRO 111          2HD       PRO 111   0.020   7.378  -9.516
  799    H    SER 112           H        SER 112  -1.181   7.300 -14.283
  800    HA   SER 112           HA       SER 112   0.304   8.892 -15.997
  801   1HB   SER 112          1HB       SER 112   1.946   7.423 -14.211
  802   2HB   SER 112          2HB       SER 112   2.018   6.541 -15.723
  803    HG   SER 112           HG       SER 112   2.414   8.778 -16.714

  No H/Q in entry =         803
  Start of MODEL   18
    1    H1   VAL   1           H1       VAL   1   9.616   9.305  17.556
    2    H2   VAL   1           H2       VAL   1   8.529   8.237  16.907
    3    H3   VAL   1           H3       VAL   1   9.812   7.678  17.792
    4    HA   VAL   1           HA       VAL   1  11.346   8.472  16.209
    5    HB   VAL   1           HB       VAL   1  10.691   6.211  15.988
    6   1HG1  VAL   1          1HG1      VAL   1   8.267   6.478  16.174
    7   2HG1  VAL   1          2HG1      VAL   1   8.203   7.184  14.541
    8   3HG1  VAL   1          3HG1      VAL   1   8.681   5.483  14.758
    9   1HG2  VAL   1          1HG2      VAL   1  11.895   7.293  14.049
   10   2HG2  VAL   1          2HG2      VAL   1  11.002   5.805  13.652
   11   3HG2  VAL   1          3HG2      VAL   1  10.323   7.393  13.220
   12    H    ASP   2           H        ASP   2   8.292   9.920  16.176
   13    HA   ASP   2           HA       ASP   2   7.397  11.536  15.043
   14   1HB   ASP   2          1HB       ASP   2  10.282  11.931  14.696
   15   2HB   ASP   2          2HB       ASP   2   9.406  12.551  13.311
   16    H    VAL   3           H        VAL   3   5.940  10.883  13.449
   17    HA   VAL   3           HA       VAL   3   6.512   9.069  11.449
   18    HB   VAL   3           HB       VAL   3   4.297  10.096  12.471
   19   1HG1  VAL   3          1HG1      VAL   3   4.725  12.331  11.402
   20   2HG1  VAL   3          2HG1      VAL   3   4.465  11.560   9.819
   21   3HG1  VAL   3          3HG1      VAL   3   3.144  11.613  11.011
   22   1HG2  VAL   3          1HG2      VAL   3   4.480   8.068  11.071
   23   2HG2  VAL   3          2HG2      VAL   3   3.039   9.033  10.670
   24   3HG2  VAL   3          3HG2      VAL   3   4.469   9.087   9.611
   25    HA   PRO   4           HA       PRO   4   9.306  11.144   8.760
   26   1HB   PRO   4          1HB       PRO   4   7.763   9.439   6.776
   27   2HB   PRO   4          2HB       PRO   4   9.529   9.659   7.001
   28   1HG   PRO   4          1HG       PRO   4   8.404   7.469   8.033
   29   2HG   PRO   4          2HG       PRO   4   9.762   8.297   8.863
   30   1HD   PRO   4          2HD       PRO   4   6.811   8.238   9.505
   31   2HD   PRO   4          1HD       PRO   4   8.205   8.481  10.600
   32    H    ALA   5           H        ALA   5   9.135  12.570   6.749
   33    HA   ALA   5           HA       ALA   5   6.644  14.034   6.902
   34   1HB   ALA   5          1HB       ALA   5   7.902  15.804   6.233
   35   2HB   ALA   5          2HB       ALA   5   8.736  14.863   4.975
   36   3HB   ALA   5          3HB       ALA   5   9.280  14.765   6.667
   37    H    ASP   6           H        ASP   6   5.355  14.556   5.002
   38    HA   ASP   6           HA       ASP   6   4.732  12.368   3.506
   39   1HB   ASP   6          1HB       ASP   6   3.205  13.769   2.394
   40   2HB   ASP   6          2HB       ASP   6   3.472  14.631   3.896
   41    H    GLY   7           H        GLY   7   4.575  13.274   0.771
   42   1HA   GLY   7          2HA       GLY   7   7.059  14.222  -0.218
   43   2HA   GLY   7          1HA       GLY   7   5.755  13.495  -1.135
   44    H    ALA   8           H        ALA   8   5.754  11.013   0.627
   45    HA   ALA   8           HA       ALA   8   8.372   9.885   0.135
   46   1HB   ALA   8          1HB       ALA   8   5.887   9.152   1.643
   47   2HB   ALA   8          2HB       ALA   8   7.590   9.109   2.159
   48   3HB   ALA   8          3HB       ALA   8   6.948   7.829   1.101
   49    H    LYS   9           H        LYS   9   8.888   8.425  -1.479
   50    HA   LYS   9           HA       LYS   9   6.694   7.796  -3.330
   51   1HB   LYS   9          1HB       LYS   9   9.592   8.462  -3.914
   52   2HB   LYS   9          2HB       LYS   9   8.496   7.776  -5.096
   53   1HG   LYS   9          1HG       LYS   9   7.126   9.705  -5.153
   54   2HG   LYS   9          2HG       LYS   9   7.648  10.250  -3.571
   55   1HD   LYS   9          1HD       LYS   9   9.829  10.039  -5.596
   56   2HD   LYS   9          2HD       LYS   9   8.609  11.244  -5.959
   57   1HE   LYS   9          1HE       LYS   9  10.048  11.046  -3.271
   58   2HE   LYS   9          2HE       LYS   9  10.554  12.108  -4.569
   59   1HZ   LYS   9          1HZ       LYS   9   7.809  12.196  -3.574
   60   2HZ   LYS   9          2HZ       LYS   9   8.998  13.015  -2.810
   61   3HZ   LYS   9          3HZ       LYS   9   8.643  13.354  -4.368
   62    H    ILE  10           H        ILE  10   6.424   5.667  -3.943
   63    HA   ILE  10           HA       ILE  10   8.301   3.789  -2.686
   64    HB   ILE  10           HB       ILE  10   5.378   3.375  -3.321
   65   1HG1  ILE  10          1HG1      ILE  10   6.409   3.576  -0.521
   66   2HG1  ILE  10          2HG1      ILE  10   6.180   5.063  -1.420
   67   1HG2  ILE  10          1HG2      ILE  10   7.094   1.406  -3.234
   68   2HG2  ILE  10          2HG2      ILE  10   7.010   1.664  -1.475
   69   3HG2  ILE  10          3HG2      ILE  10   5.533   1.273  -2.390
   70   1HD1  ILE  10          1HD1      ILE  10   4.007   2.937  -1.297
   71   2HD1  ILE  10          2HD1      ILE  10   4.162   4.200  -0.053
   72   3HD1  ILE  10          3HD1      ILE  10   3.845   4.652  -1.745
   73    H    ASP  11           H        ASP  11   9.483   2.520  -4.019
   74    HA   ASP  11           HA       ASP  11   8.378   1.722  -6.515
   75   1HB   ASP  11          1HB       ASP  11   9.243   3.811  -7.314
   76   2HB   ASP  11          2HB       ASP  11  10.689   3.685  -6.332
   77    H    PHE  12           H        PHE  12   8.764  -0.426  -5.673
   78    HA   PHE  12           HA       PHE  12  11.594  -1.058  -5.212
   79   1HB   PHE  12          1HB       PHE  12   8.988  -2.399  -4.269
   80   2HB   PHE  12          2HB       PHE  12  10.594  -2.952  -3.840
   81    HD1  PHE  12           HD1      PHE  12  11.932  -0.369  -3.239
   82    HD2  PHE  12           HD2      PHE  12   8.053  -1.765  -2.232
   83    HE1  PHE  12           HE1      PHE  12  11.913   1.135  -1.229
   84    HE2  PHE  12           HE2      PHE  12   8.034  -0.262  -0.222
   85    HZ   PHE  12           HZ       PHE  12   9.965   1.170   0.255
   86    H    ILE  13           H        ILE  13   8.631  -1.749  -7.018
   87    HA   ILE  13           HA       ILE  13   9.875  -4.112  -8.197
   88    HB   ILE  13           HB       ILE  13   7.071  -3.003  -8.300
   89   1HG1  ILE  13          1HG1      ILE  13   7.913  -5.671  -7.187
   90   2HG1  ILE  13          2HG1      ILE  13   8.053  -4.222  -6.211
   91   1HG2  ILE  13          1HG2      ILE  13   7.989  -4.162 -10.434
   92   2HG2  ILE  13          2HG2      ILE  13   7.871  -5.654  -9.470
   93   3HG2  ILE  13          3HG2      ILE  13   6.418  -4.671  -9.770
   94   1HD1  ILE  13          1HD1      ILE  13   5.481  -5.089  -7.610
   95   2HD1  ILE  13          2HD1      ILE  13   5.861  -5.422  -5.904
   96   3HD1  ILE  13          3HD1      ILE  13   5.663  -3.743  -6.460
   97    H    ALA  14           H        ALA  14  11.363  -3.526  -9.717
   98    HA   ALA  14           HA       ALA  14  12.099  -2.797 -11.679
   99   1HB   ALA  14          1HB       ALA  14  10.501  -3.015 -13.240
  100   2HB   ALA  14          3HB       ALA  14   9.913  -1.384 -12.840
  101   3HB   ALA  14          2HB       ALA  14   9.235  -2.803 -12.007
  102    H    GLY  15           H        GLY  15  12.144  -0.518 -13.045
  103   1HA   GLY  15          2HA       GLY  15  13.371   1.334 -11.427
  104   2HA   GLY  15          1HA       GLY  15  11.690   1.826 -11.476
  105    H    GLY  16           H        GLY  16  14.315   2.931 -12.706
  106   1HA   GLY  16          2HA       GLY  16  13.769   2.739 -15.562
  107   2HA   GLY  16          1HA       GLY  16  15.119   3.538 -14.780
  108    H    GLU  17           H        GLU  17  12.659   4.251 -16.733
  109    HA   GLU  17           HA       GLU  17  12.135   6.775 -15.367
  110   1HB   GLU  17          1HB       GLU  17  13.531   7.053 -17.381
  111   2HB   GLU  17          2HB       GLU  17  12.355   6.189 -18.352
  112   1HG   GLU  17          1HG       GLU  17  10.679   8.052 -17.402
  113   2HG   GLU  17          2HG       GLU  17  12.160   8.955 -17.152
  114    H    LYS  18           H        LYS  18  10.822   3.993 -17.145
  115    HA   LYS  18           HA       LYS  18   8.143   5.154 -16.952
  116   1HB   LYS  18          2HB       LYS  18   7.482   3.445 -18.557
  117   2HB   LYS  18          1HB       LYS  18   8.824   4.389 -19.172
  118   1HG   LYS  18          1HG       LYS  18  10.223   2.584 -19.225
  119   2HG   LYS  18          2HG       LYS  18   9.738   2.047 -17.629
  120   1HD   LYS  18          1HD       LYS  18   7.522   1.664 -19.472
  121   2HD   LYS  18          2HD       LYS  18   8.967   0.949 -20.159
  122   1HE   LYS  18          1HE       LYS  18   8.387   0.428 -17.243
  123   2HE   LYS  18          2HE       LYS  18   7.408  -0.405 -18.434
  124   1HZ   LYS  18          1HZ       LYS  18  10.161  -0.476 -19.089
  125   2HZ   LYS  18          2HZ       LYS  18   9.878  -1.132 -17.620
  126   3HZ   LYS  18          3HZ       LYS  18   9.101  -1.709 -18.935
  127    H    ASN  19           H        ASN  19   9.214   4.576 -14.488
  128    HA   ASN  19           HA       ASN  19   8.170   1.937 -13.873
  129   1HB   ASN  19          1HB       ASN  19   9.287   2.652 -11.535
  130   2HB   ASN  19          2HB       ASN  19  10.270   2.022 -12.842
  131   2HD2  ASN  19          2HD2      ASN  19   8.796   5.116 -11.857
  132   1HD2  ASN  19          1HD2      ASN  19  10.181   6.118 -12.137
  133    H    LEU  20           H        LEU  20   6.341   1.751 -12.493
  134    HA   LEU  20           HA       LEU  20   4.819   4.125 -12.077
  135   1HB   LEU  20          1HB       LEU  20   4.417   1.215 -11.408
  136   2HB   LEU  20          2HB       LEU  20   3.279   2.455 -10.917
  137    HG   LEU  20           HG       LEU  20   3.952   1.502 -13.693
  138   1HD1  LEU  20          1HD1      LEU  20   2.082   0.569 -12.127
  139   2HD1  LEU  20          2HD1      LEU  20   1.205   2.040 -12.612
  140   3HD1  LEU  20          3HD1      LEU  20   1.738   0.874 -13.847
  141   1HD2  LEU  20          1HD2      LEU  20   2.973   4.208 -12.884
  142   2HD2  LEU  20          2HD2      LEU  20   4.035   3.724 -14.228
  143   3HD2  LEU  20          3HD2      LEU  20   2.280   3.445 -14.335
  144    H    THR  21           H        THR  21   5.520   5.571 -10.576
  145    HA   THR  21           HA       THR  21   6.475   4.480  -8.020
  146    HB   THR  21           HB       THR  21   6.741   7.361  -8.946
  147    HG1  THR  21           HG1      THR  21   7.759   6.394 -10.677
  148   1HG2  THR  21          1HG2      THR  21   7.625   6.118  -6.673
  149   2HG2  THR  21          2HG2      THR  21   8.974   5.736  -7.769
  150   3HG2  THR  21          3HG2      THR  21   8.529   7.432  -7.462
  151    H    VAL  22           H        VAL  22   4.998   4.299  -6.463
  152    HA   VAL  22           HA       VAL  22   2.703   6.089  -6.564
  153    HB   VAL  22           HB       VAL  22   3.327   3.583  -4.995
  154   1HG1  VAL  22          1HG1      VAL  22   1.157   5.604  -4.691
  155   2HG1  VAL  22          2HG1      VAL  22   0.688   3.889  -4.605
  156   3HG1  VAL  22          3HG1      VAL  22   1.910   4.535  -3.484
  157   1HG2  VAL  22          1HG2      VAL  22   2.583   3.783  -7.602
  158   2HG2  VAL  22          2HG2      VAL  22   2.164   2.414  -6.545
  159   3HG2  VAL  22          3HG2      VAL  22   0.989   3.725  -6.811
  160    H    VAL  23           H        VAL  23   2.427   7.782  -5.179
  161    HA   VAL  23           HA       VAL  23   4.568   8.205  -3.247
  162    HB   VAL  23           HB       VAL  23   2.406  10.039  -4.302
  163   1HG1  VAL  23          1HG1      VAL  23   3.295  10.556  -1.990
  164   2HG1  VAL  23          2HG1      VAL  23   4.891  10.796  -2.740
  165   3HG1  VAL  23          3HG1      VAL  23   3.525  11.839  -3.203
  166   1HG2  VAL  23          1HG2      VAL  23   5.148   9.358  -5.239
  167   2HG2  VAL  23          2HG2      VAL  23   3.719   9.894  -6.155
  168   3HG2  VAL  23          3HG2      VAL  23   4.699  11.080  -5.259
  169    H    PHE  24           H        PHE  24   4.184   8.524  -1.020
  170    HA   PHE  24           HA       PHE  24   1.436   7.995  -0.157
  171   1HB   PHE  24          1HB       PHE  24   2.957   5.939  -0.078
  172   2HB   PHE  24          2HB       PHE  24   4.071   6.835   0.935
  173    HD1  PHE  24           HD1      PHE  24   0.469   5.848   0.857
  174    HD2  PHE  24           HD2      PHE  24   3.919   6.568   3.221
  175    HE1  PHE  24           HE1      PHE  24  -0.771   5.081   2.901
  176    HE2  PHE  24           HE2      PHE  24   2.679   5.801   5.265
  177    HZ   PHE  24           HZ       PHE  24   0.349   5.067   5.080
  178    H    ASN  25           H        ASN  25   0.845   8.949   1.869
  179    HA   ASN  25           HA       ASN  25   2.870  10.746   2.937
  180   1HB   ASN  25          2HB       ASN  25   0.154  11.811   3.239
  181   2HB   ASN  25          1HB       ASN  25   1.566  12.591   2.553
  182   2HD2  ASN  25          2HD2      ASN  25   2.257  11.519   0.374
  183   1HD2  ASN  25          1HD2      ASN  25   0.999  11.345  -0.804
  184    H    HIS  26           H        HIS  26   3.074  10.428   5.165
  185    HA   HIS  26           HA       HIS  26   1.301   8.613   6.448
  186   1HB   HIS  26          1HB       HIS  26   3.835  10.026   7.100
  187   2HB   HIS  26          2HB       HIS  26   2.833   9.562   8.460
  188    HD1  HIS  26           HD1      HIS  26   4.784   8.069   5.575
  189    HD2  HIS  26           HD2      HIS  26   2.769   6.823   9.036
  190    HE1  HIS  26           HE1      HIS  26   5.384   5.611   5.905
  191    H    SER  27           H        SER  27   1.344  12.024   5.873
  192    HA   SER  27           HA       SER  27  -0.160  12.608   8.247
  193   1HB   SER  27          1HB       SER  27  -0.242  14.945   7.153
  194   2HB   SER  27          2HB       SER  27   1.331  14.350   7.645
  195    HG   SER  27           HG       SER  27   0.512  15.104   5.166
  196    H    THR  28           H        THR  28  -1.023  10.816   5.794
  197    HA   THR  28           HA       THR  28  -3.541  12.240   5.237
  198    HB   THR  28           HB       THR  28  -1.956  10.151   3.654
  199    HG1  THR  28           HG1      THR  28  -1.623  12.023   2.352
  200   1HG2  THR  28          1HG2      THR  28  -4.642  10.198   3.532
  201   2HG2  THR  28          2HG2      THR  28  -4.341  11.672   2.581
  202   3HG2  THR  28          3HG2      THR  28  -3.670  10.113   2.044
  203    H    HIS  29           H        HIS  29  -2.018   9.215   6.367
  204    HA   HIS  29           HA       HIS  29  -4.699   8.185   6.895
  205   1HB   HIS  29          2HB       HIS  29  -2.028   6.752   6.938
  206   2HB   HIS  29          1HB       HIS  29  -3.598   6.012   7.185
  207    HD1  HIS  29           HD1      HIS  29  -1.517   7.679   4.474
  208    HD2  HIS  29           HD2      HIS  29  -4.990   5.359   4.866
  209    HE1  HIS  29           HE1      HIS  29  -2.198   7.005   2.109
  210    H    LYS  30           H        LYS  30  -3.247  10.394   8.392
  211    HA   LYS  30           HA       LYS  30  -2.219   9.446  10.782
  212   1HB   LYS  30          1HB       LYS  30  -2.584  11.686  11.614
  213   2HB   LYS  30          2HB       LYS  30  -2.006  11.759   9.962
  214   1HG   LYS  30          1HG       LYS  30  -4.603  11.782   9.362
  215   2HG   LYS  30          2HG       LYS  30  -4.786  12.314  11.021
  216   1HD   LYS  30          1HD       LYS  30  -2.620  13.761   9.644
  217   2HD   LYS  30          2HD       LYS  30  -4.151  13.935   8.808
  218   1HE   LYS  30          1HE       LYS  30  -3.986  15.727  10.450
  219   2HE   LYS  30          2HE       LYS  30  -5.228  14.616  10.990
  220   1HZ   LYS  30          1HZ       LYS  30  -3.385  13.539  12.301
  221   2HZ   LYS  30          2HZ       LYS  30  -2.496  14.876  12.000
  222   3HZ   LYS  30          3HZ       LYS  30  -3.899  14.997  12.827
  223    H    ASP  31           H        ASP  31  -5.445   9.318   9.509
  224    HA   ASP  31           HA       ASP  31  -6.637   9.183  12.110
  225   1HB   ASP  31          1HB       ASP  31  -8.054  10.168  10.482
  226   2HB   ASP  31          2HB       ASP  31  -7.612   9.002   9.250
  227    H    VAL  32           H        VAL  32  -4.701   7.155  10.337
  228    HA   VAL  32           HA       VAL  32  -6.193   4.752  11.140
  229    HB   VAL  32           HB       VAL  32  -4.164   5.077   8.920
  230   1HG1  VAL  32          1HG1      VAL  32  -4.301   2.818  10.028
  231   2HG1  VAL  32          2HG1      VAL  32  -5.996   2.729   9.492
  232   3HG1  VAL  32          3HG1      VAL  32  -4.686   2.826   8.291
  233   1HG2  VAL  32          1HG2      VAL  32  -6.929   5.778   8.981
  234   2HG2  VAL  32          2HG2      VAL  32  -5.808   5.792   7.598
  235   3HG2  VAL  32          3HG2      VAL  32  -6.753   4.328   7.963
  236    H    LYS  33           H        LYS  33  -5.232   3.394  12.597
  237    HA   LYS  33           HA       LYS  33  -3.103   4.266  14.110
  238   1HB   LYS  33          1HB       LYS  33  -4.134   1.441  13.715
  239   2HB   LYS  33          2HB       LYS  33  -3.085   1.962  15.018
  240   1HG   LYS  33          1HG       LYS  33  -5.550   3.609  14.643
  241   2HG   LYS  33          2HG       LYS  33  -5.832   1.958  15.159
  242   1HD   LYS  33          1HD       LYS  33  -4.558   2.231  17.161
  243   2HD   LYS  33          2HD       LYS  33  -3.740   3.658  16.557
  244   1HE   LYS  33          1HE       LYS  33  -6.677   3.987  16.617
  245   2HE   LYS  33          2HE       LYS  33  -6.012   3.638  18.200
  246   1HZ   LYS  33          1HZ       LYS  33  -4.533   5.560  16.673
  247   2HZ   LYS  33          2HZ       LYS  33  -6.033   6.043  17.103
  248   3HZ   LYS  33          3HZ       LYS  33  -4.962   5.587  18.248
  249    H    CYS  34           H        CYS  34  -0.916   3.260  14.372
  250    HA   CYS  34           HA       CYS  34   0.374   3.255  11.846
  251   1HB   CYS  34          1HB       CYS  34   1.617   2.496  14.486
  252   2HB   CYS  34          2HB       CYS  34   2.411   3.126  13.057
  253    H    ASP  35           H        ASP  35  -0.491   0.844  14.390
  254    HA   ASP  35           HA       ASP  35   0.876  -1.276  13.223
  255   1HB   ASP  35          1HB       ASP  35  -0.680  -2.689  14.637
  256   2HB   ASP  35          2HB       ASP  35   0.155  -1.430  15.525
  257    H    ASP  36           H        ASP  36  -1.824   0.525  12.174
  258    HA   ASP  36           HA       ASP  36  -3.508  -1.459  11.227
  259   1HB   ASP  36          1HB       ASP  36  -3.750   1.179  11.413
  260   2HB   ASP  36          2HB       ASP  36  -3.102   1.178   9.785
  261    H    CYS  37           H        CYS  37  -0.360  -0.337  10.235
  262    HA   CYS  37           HA       CYS  37  -0.639  -1.841   7.741
  263   1HB   CYS  37          1HB       CYS  37   0.767   0.821   8.112
  264   2HB   CYS  37          2HB       CYS  37   1.013  -0.219   6.722
  265    H    HIS  38           H        HIS  38   1.559  -0.393  10.241
  266    HA   HIS  38           HA       HIS  38   3.666  -2.195   9.581
  267   1HB   HIS  38          1HB       HIS  38   3.307  -0.311  11.928
  268   2HB   HIS  38          2HB       HIS  38   4.781  -1.179  11.548
  269    HD1  HIS  38           HD1      HIS  38   5.881  -0.557   9.108
  270    HD2  HIS  38           HD2      HIS  38   3.049   2.118  10.664
  271    HE1  HIS  38           HE1      HIS  38   6.192   1.633   7.837
  272    H    HIS  39           H        HIS  39   2.441  -4.234   9.740
  273    HA   HIS  39           HA       HIS  39   1.629  -4.953  12.424
  274   1HB   HIS  39          2HB       HIS  39   0.480  -6.739  11.470
  275   2HB   HIS  39          1HB       HIS  39   0.292  -5.444  10.303
  276    HD1  HIS  39           HD1      HIS  39   1.181  -8.932  10.504
  277    HD2  HIS  39           HD2      HIS  39   2.365  -5.703   8.103
  278    HE1  HIS  39           HE1      HIS  39   2.259  -9.945   8.425
  279    H    GLN  40           H        GLN  40   4.304  -4.410  12.466
  280    HA   GLN  40           HA       GLN  40   5.534  -7.044  12.264
  281   1HB   GLN  40          1HB       GLN  40   6.563  -4.247  11.909
  282   2HB   GLN  40          2HB       GLN  40   7.669  -5.415  12.604
  283   1HG   GLN  40          1HG       GLN  40   7.669  -5.193  10.025
  284   2HG   GLN  40          2HG       GLN  40   7.608  -6.816  10.681
  285   2HE2  GLN  40          2HE2      GLN  40   5.744  -8.029  10.569
  286   1HE2  GLN  40          1HE2      GLN  40   4.404  -7.632   9.546
  287    HA   PRO  41           HA       PRO  41   6.284  -7.228  16.594
  288   1HB   PRO  41          1HB       PRO  41   9.181  -7.749  16.262
  289   2HB   PRO  41          2HB       PRO  41   7.850  -8.865  16.712
  290   1HG   PRO  41          1HG       PRO  41   9.231  -8.794  14.566
  291   2HG   PRO  41          2HG       PRO  41   7.713  -9.653  14.148
  292   1HD   PRO  41          2HD       PRO  41   8.590  -6.893  13.486
  293   2HD   PRO  41          1HD       PRO  41   7.196  -7.812  12.842
  294    H    GLY  42           H        GLY  42   6.968  -5.948  18.410
  295   1HA   GLY  42          2HA       GLY  42   8.024  -4.261  19.495
  296   2HA   GLY  42          1HA       GLY  42   7.434  -3.318  18.141
  297    H    ASP  43           H        ASP  43   9.992  -5.891  18.295
  298    HA   ASP  43           HA       ASP  43  12.204  -4.492  18.462
  299   1HB   ASP  43          1HB       ASP  43  11.663  -7.033  17.746
  300   2HB   ASP  43          2HB       ASP  43  12.075  -6.431  16.153
  301    H    LYS  44           H        LYS  44  10.382  -5.092  15.361
  302    HA   LYS  44           HA       LYS  44  11.726  -2.724  14.254
  303   1HB   LYS  44          2HB       LYS  44  11.530  -3.796  12.044
  304   2HB   LYS  44          1HB       LYS  44  12.541  -4.709  13.144
  305   1HG   LYS  44          1HG       LYS  44  10.462  -6.117  13.710
  306   2HG   LYS  44          2HG       LYS  44   9.649  -5.311  12.383
  307   1HD   LYS  44          2HD       LYS  44  10.583  -6.780  10.934
  308   2HD   LYS  44          1HD       LYS  44  12.171  -6.168  11.350
  309   1HE   LYS  44          1HE       LYS  44  11.066  -7.999  13.402
  310   2HE   LYS  44          2HE       LYS  44  11.251  -8.761  11.835
  311   1HZ   LYS  44          1HZ       LYS  44  13.524  -7.298  12.211
  312   2HZ   LYS  44          2HZ       LYS  44  13.242  -7.995  13.661
  313   3HZ   LYS  44          3HZ       LYS  44  13.378  -8.921  12.323
  314    H    GLN  45           H        GLN  45   9.602  -2.162  15.802
  315    HA   GLN  45           HA       GLN  45   7.103  -2.465  15.032
  316   1HB   GLN  45          1HB       GLN  45   7.747  -1.063  16.930
  317   2HB   GLN  45          2HB       GLN  45   8.445   0.142  15.866
  318   1HG   GLN  45          1HG       GLN  45   6.377   1.130  16.160
  319   2HG   GLN  45          2HG       GLN  45   5.967   0.107  14.798
  320   2HE2  GLN  45          2HE2      GLN  45   3.825   0.568  15.870
  321   1HE2  GLN  45          1HE2      GLN  45   3.244  -0.580  17.030
  322    H    TYR  46           H        TYR  46   9.544  -0.492  13.414
  323    HA   TYR  46           HA       TYR  46   7.670  -0.136  11.128
  324   1HB   TYR  46          2HB       TYR  46   9.714   1.903  12.053
  325   2HB   TYR  46          1HB       TYR  46   8.491   2.095  10.786
  326    HD1  TYR  46           HD1      TYR  46   6.035   2.095  11.450
  327    HD2  TYR  46           HD2      TYR  46   9.229   2.419  14.305
  328    HE1  TYR  46           HE1      TYR  46   4.449   3.014  13.120
  329    HE2  TYR  46           HE2      TYR  46   7.643   3.338  15.975
  330    HH   TYR  46           HH       TYR  46   5.338   4.598  15.913
  331    H    ALA  47           H        ALA  47   8.653  -1.996  10.061
  332    HA   ALA  47           HA       ALA  47  11.433  -1.454   9.267
  333   1HB   ALA  47          1HB       ALA  47  10.226  -3.755  10.519
  334   2HB   ALA  47          3HB       ALA  47  11.927  -3.495  10.061
  335   3HB   ALA  47          2HB       ALA  47  10.788  -4.203   8.890
  336    H    GLY  48           H        GLY  48  11.817  -2.940   7.107
  337   1HA   GLY  48          2HA       GLY  48  11.482  -2.827   4.873
  338   2HA   GLY  48          1HA       GLY  48  10.155  -1.712   5.131
  339    H    CYS  49           H        CYS  49   8.699  -2.707   3.671
  340    HA   CYS  49           HA       CYS  49   7.347  -4.972   4.771
  341   1HB   CYS  49          1HB       CYS  49   6.783  -3.660   2.115
  342   2HB   CYS  49          2HB       CYS  49   5.694  -4.603   3.112
  343    H    THR  50           H        THR  50   9.668  -4.200   2.178
  344    HA   THR  50           HA       THR  50   9.411  -6.861   1.026
  345    HB   THR  50           HB       THR  50  11.133  -5.849  -0.581
  346    HG1  THR  50           HG1      THR  50  12.070  -4.088   0.389
  347   1HG2  THR  50          1HG2      THR  50   8.353  -5.084  -0.236
  348   2HG2  THR  50          2HG2      THR  50   9.285  -3.652  -0.735
  349   3HG2  THR  50          3HG2      THR  50   9.305  -5.121  -1.740
  350    H    THR  51           H        THR  51  10.438  -6.238   3.868
  351    HA   THR  51           HA       THR  51  13.212  -6.812   3.824
  352    HB   THR  51           HB       THR  51  11.161  -7.246   6.055
  353    HG1  THR  51           HG1      THR  51  11.720  -4.941   6.429
  354   1HG2  THR  51          1HG2      THR  51  14.163  -6.862   5.891
  355   2HG2  THR  51          2HG2      THR  51  13.283  -6.180   7.280
  356   3HG2  THR  51          3HG2      THR  51  13.229  -7.931   6.965
  357    H    ASP  52           H        ASP  52  14.284  -8.763   4.598
  358    HA   ASP  52           HA       ASP  52  13.545 -10.941   3.138
  359   1HB   ASP  52          1HB       ASP  52  15.672 -10.220   4.784
  360   2HB   ASP  52          2HB       ASP  52  14.977 -11.565   5.667
  361    H    GLY  53           H        GLY  53  12.719 -13.103   3.883
  362   1HA   GLY  53          2HA       GLY  53  11.748 -13.655   6.427
  363   2HA   GLY  53          1HA       GLY  53  11.230 -14.415   4.935
  364    H    CYS  54           H        CYS  54  10.528 -11.469   3.982
  365    HA   CYS  54           HA       CYS  54   7.907 -11.495   5.281
  366   1HB   CYS  54          2HB       CYS  54   9.357  -8.945   4.521
  367   2HB   CYS  54          1HB       CYS  54   7.849  -9.100   5.400
  368    H    HIS  55           H        HIS  55   7.772  -8.890   3.347
  369    HA   HIS  55           HA       HIS  55   6.806 -10.465   1.113
  370   1HB   HIS  55          2HB       HIS  55   6.541  -7.481   1.509
  371   2HB   HIS  55          1HB       HIS  55   5.592  -8.519   0.464
  372    HD1  HIS  55           HD1      HIS  55   3.946 -10.271   1.736
  373    HD2  HIS  55           HD2      HIS  55   5.548  -7.175   4.070
  374    HE1  HIS  55           HE1      HIS  55   2.514 -10.151   3.844
  375    H    ASN  56           H        ASN  56   9.534 -10.681   1.245
  376    HA   ASN  56           HA       ASN  56  10.700  -8.592  -0.311
  377   1HB   ASN  56          1HB       ASN  56  11.977  -9.845   1.468
  378   2HB   ASN  56          2HB       ASN  56  11.814 -11.319   0.535
  379   2HD2  ASN  56          2HD2      ASN  56  14.198  -9.893   1.382
  380   1HD2  ASN  56          1HD2      ASN  56  15.113  -9.508  -0.038
  381    H    ILE  57           H        ILE  57   8.889  -9.139  -2.050
  382    HA   ILE  57           HA       ILE  57  10.055 -11.085  -3.902
  383    HB   ILE  57           HB       ILE  57   7.109 -10.798  -3.298
  384   1HG1  ILE  57          1HG1      ILE  57   8.688 -11.995  -1.600
  385   2HG1  ILE  57          2HG1      ILE  57   7.173 -12.741  -2.068
  386   1HG2  ILE  57          1HG2      ILE  57   8.627 -12.497  -5.287
  387   2HG2  ILE  57          2HG2      ILE  57   6.949 -12.823  -4.792
  388   3HG2  ILE  57          3HG2      ILE  57   7.356 -11.294  -5.607
  389   1HD1  ILE  57          1HD1      ILE  57   9.614 -13.361  -3.723
  390   2HD1  ILE  57          2HD1      ILE  57   9.459 -14.121  -2.121
  391   3HD1  ILE  57          3HD1      ILE  57   8.206 -14.386  -3.357
  392    H    LEU  58           H        LEU  58  10.839  -9.854  -5.529
  393    HA   LEU  58           HA       LEU  58   9.283  -7.488  -6.272
  394   1HB   LEU  58          2HB       LEU  58  12.139  -8.196  -6.952
  395   2HB   LEU  58          1HB       LEU  58  11.318  -6.693  -7.322
  396    HG   LEU  58           HG       LEU  58  12.183  -7.727  -4.619
  397   1HD1  LEU  58          1HD1      LEU  58  13.690  -6.401  -6.298
  398   2HD1  LEU  58          2HD1      LEU  58  12.757  -4.999  -5.723
  399   3HD1  LEU  58          3HD1      LEU  58  13.686  -5.984  -4.568
  400   1HD2  LEU  58          1HD2      LEU  58   9.992  -5.849  -5.272
  401   2HD2  LEU  58          2HD2      LEU  58  10.269  -6.845  -3.824
  402   3HD2  LEU  58          3HD2      LEU  58  11.138  -5.305  -4.023
  403    H    ASP  59           H        ASP  59   8.719 -10.423  -6.921
  404    HA   ASP  59           HA       ASP  59   8.963 -10.161  -9.813
  405   1HB   ASP  59          1HB       ASP  59   9.587 -12.313  -8.065
  406   2HB   ASP  59          2HB       ASP  59   8.101 -12.796  -8.859
  407    H    LYS  60           H        LYS  60   6.974  -8.724  -9.651
  408    HA   LYS  60           HA       LYS  60   4.611  -9.353  -8.485
  409   1HB   LYS  60          1HB       LYS  60   4.877  -7.229  -9.479
  410   2HB   LYS  60          2HB       LYS  60   5.265  -7.902 -11.049
  411   1HG   LYS  60          1HG       LYS  60   2.910  -8.897 -11.113
  412   2HG   LYS  60          2HG       LYS  60   2.555  -8.005  -9.646
  413   1HD   LYS  60          2HD       LYS  60   1.778  -6.625 -11.452
  414   2HD   LYS  60          1HD       LYS  60   3.254  -5.873 -10.880
  415   1HE   LYS  60          1HE       LYS  60   3.685  -7.914 -13.004
  416   2HE   LYS  60          2HE       LYS  60   2.733  -6.537 -13.523
  417   1HZ   LYS  60          1HZ       LYS  60   5.294  -6.267 -12.115
  418   2HZ   LYS  60          2HZ       LYS  60   5.159  -6.269 -13.743
  419   3HZ   LYS  60          3HZ       LYS  60   4.452  -5.086 -12.866
  420    H    ALA  61           H        ALA  61   2.597 -10.318  -9.282
  421    HA   ALA  61           HA       ALA  61   1.404 -11.926 -10.228
  422   1HB   ALA  61          1HB       ALA  61   3.476 -12.316 -12.390
  423   2HB   ALA  61          3HB       ALA  61   1.702 -12.414 -12.498
  424   3HB   ALA  61          2HB       ALA  61   2.499 -10.830 -12.343
  425    H    ASP  62           H        ASP  62   3.108 -12.538  -8.080
  426    HA   ASP  62           HA       ASP  62   4.278 -15.075  -8.865
  427   1HB   ASP  62          1HB       ASP  62   5.560 -13.306  -7.489
  428   2HB   ASP  62          2HB       ASP  62   4.468 -13.665  -6.167
  429    H    LYS  63           H        LYS  63   4.068 -16.723  -6.770
  430    HA   LYS  63           HA       LYS  63   1.270 -16.601  -5.886
  431   1HB   LYS  63          1HB       LYS  63   1.685 -18.231  -7.774
  432   2HB   LYS  63          2HB       LYS  63   2.733 -19.128  -6.694
  433   1HG   LYS  63          1HG       LYS  63   0.161 -18.489  -5.415
  434   2HG   LYS  63          2HG       LYS  63  -0.068 -19.378  -6.907
  435   1HD   LYS  63          1HD       LYS  63   0.947 -21.293  -6.095
  436   2HD   LYS  63          2HD       LYS  63   2.110 -20.403  -5.133
  437   1HE   LYS  63          2HE       LYS  63   0.710 -21.376  -3.494
  438   2HE   LYS  63          1HE       LYS  63   0.081 -19.745  -3.621
  439   1HZ   LYS  63          1HZ       LYS  63  -1.374 -20.892  -5.448
  440   2HZ   LYS  63          2HZ       LYS  63  -1.087 -22.221  -4.544
  441   3HZ   LYS  63          3HZ       LYS  63  -1.806 -20.918  -3.873
  442    H    SER  64           H        SER  64   1.984 -15.606  -3.912
  443    HA   SER  64           HA       SER  64   2.550 -17.461  -1.935
  444   1HB   SER  64          1HB       SER  64   4.887 -16.694  -3.258
  445   2HB   SER  64          2HB       SER  64   4.861 -15.620  -1.874
  446    HG   SER  64           HG       SER  64   5.953 -17.628  -1.396
  447    H    VAL  65           H        VAL  65   2.698 -16.364   0.257
  448    HA   VAL  65           HA       VAL  65   1.105 -13.964   0.189
  449    HB   VAL  65           HB       VAL  65   0.493 -15.705   1.707
  450   1HG1  VAL  65          1HG1      VAL  65   3.395 -15.703   2.366
  451   2HG1  VAL  65          2HG1      VAL  65   2.269 -16.009   3.710
  452   3HG1  VAL  65          3HG1      VAL  65   2.238 -17.052   2.268
  453   1HG2  VAL  65          1HG2      VAL  65   0.621 -13.128   2.405
  454   2HG2  VAL  65          2HG2      VAL  65   0.043 -14.389   3.522
  455   3HG2  VAL  65          3HG2      VAL  65   1.715 -13.788   3.645
  456    H    ASN  66           H        ASN  66   4.258 -14.415  -0.421
  457    HA   ASN  66           HA       ASN  66   5.171 -12.321   1.360
  458   1HB   ASN  66          1HB       ASN  66   6.747 -14.031  -0.636
  459   2HB   ASN  66          2HB       ASN  66   7.448 -12.939   0.542
  460   2HD2  ASN  66          2HD2      ASN  66   6.597 -13.307   2.849
  461   1HD2  ASN  66          1HD2      ASN  66   6.581 -14.944   3.414
  462    H    SER  67           H        SER  67   3.452 -12.392  -1.376
  463    HA   SER  67           HA       SER  67   5.088 -10.963  -3.176
  464   1HB   SER  67          1HB       SER  67   2.753 -10.519  -4.272
  465   2HB   SER  67          2HB       SER  67   3.368 -12.159  -4.231
  466    HG   SER  67           HG       SER  67   1.150 -12.074  -3.539
  467    H    TRP  68           H        TRP  68   5.281  -8.727  -3.483
  468    HA   TRP  68           HA       TRP  68   4.038  -7.092  -1.407
  469   1HB   TRP  68          1HB       TRP  68   6.325  -6.745  -1.388
  470   2HB   TRP  68          2HB       TRP  68   6.472  -6.834  -3.132
  471    HD1  TRP  68           HD1      TRP  68   6.723  -4.507  -4.296
  472    HE1  TRP  68           HE1      TRP  68   6.279  -1.964  -3.747
  473    HE3  TRP  68           HE3      TRP  68   4.487  -5.326   0.196
  474    HZ2  TRP  68           HZ2      TRP  68   5.069  -0.611  -1.544
  475    HZ3  TRP  68           HZ3      TRP  68   3.703  -3.339   1.483
  476    HH2  TRP  68           HH2      TRP  68   3.964  -1.045   0.681
  477    H    TYR  69           H        TYR  69   2.924  -8.317  -4.028
  478    HA   TYR  69           HA       TYR  69   1.873  -5.761  -5.152
  479   1HB   TYR  69          1HB       TYR  69   3.287  -6.831  -6.784
  480   2HB   TYR  69          2HB       TYR  69   2.514  -8.400  -6.502
  481    HD1  TYR  69           HD1      TYR  69  -0.010  -8.590  -7.043
  482    HD2  TYR  69           HD2      TYR  69   2.503  -5.411  -8.470
  483    HE1  TYR  69           HE1      TYR  69  -1.641  -8.110  -8.848
  484    HE2  TYR  69           HE2      TYR  69   0.872  -4.931 -10.275
  485    HH   TYR  69           HH       TYR  69  -1.815  -5.372 -10.573
  486    H    LYS  70           H        LYS  70   1.173  -8.619  -3.368
  487    HA   LYS  70           HA       LYS  70  -1.590  -8.623  -4.327
  488   1HB   LYS  70          1HB       LYS  70  -0.198 -10.756  -4.183
  489   2HB   LYS  70          2HB       LYS  70  -0.290 -10.599  -2.440
  490   1HG   LYS  70          1HG       LYS  70  -2.946 -10.228  -3.195
  491   2HG   LYS  70          2HG       LYS  70  -2.393 -11.398  -4.375
  492   1HD   LYS  70          1HD       LYS  70  -1.853 -11.757  -1.400
  493   2HD   LYS  70          2HD       LYS  70  -3.344 -12.313  -2.135
  494   1HE   LYS  70          1HE       LYS  70  -0.532 -13.160  -2.986
  495   2HE   LYS  70          2HE       LYS  70  -1.637 -14.129  -2.031
  496   1HZ   LYS  70          1HZ       LYS  70  -3.048 -13.361  -4.240
  497   2HZ   LYS  70          2HZ       LYS  70  -1.575 -13.772  -4.813
  498   3HZ   LYS  70          3HZ       LYS  70  -2.439 -14.846  -3.936
  499    H    VAL  71           H        VAL  71   0.458  -8.243  -1.381
  500    HA   VAL  71           HA       VAL  71  -1.688  -7.822   0.374
  501    HB   VAL  71           HB       VAL  71   0.073  -6.828   1.821
  502   1HG1  VAL  71          1HG1      VAL  71  -0.405  -9.341   1.507
  503   2HG1  VAL  71          2HG1      VAL  71   1.110  -9.377   0.573
  504   3HG1  VAL  71          3HG1      VAL  71   1.129  -8.876   2.281
  505   1HG2  VAL  71          1HG2      VAL  71   1.374  -5.833  -0.117
  506   2HG2  VAL  71          2HG2      VAL  71   2.344  -6.660   1.126
  507   3HG2  VAL  71          3HG2      VAL  71   2.006  -7.469  -0.423
  508    H    VAL  72           H        VAL  72  -0.618  -6.000  -2.290
  509    HA   VAL  72           HA       VAL  72  -1.475  -3.480  -1.081
  510    HB   VAL  72           HB       VAL  72   0.015  -4.189  -3.609
  511   1HG1  VAL  72          1HG1      VAL  72  -1.288  -1.607  -2.779
  512   2HG1  VAL  72          2HG1      VAL  72   0.224  -1.579  -3.718
  513   3HG1  VAL  72          3HG1      VAL  72  -1.220  -2.383  -4.380
  514   1HG2  VAL  72          1HG2      VAL  72   0.769  -2.737  -1.057
  515   2HG2  VAL  72          2HG2      VAL  72   1.442  -4.256  -1.695
  516   3HG2  VAL  72          3HG2      VAL  72   1.766  -2.718  -2.531
  517    H    HIS  73           H        HIS  73  -1.978  -5.467  -4.086
  518    HA   HIS  73           HA       HIS  73  -4.498  -4.087  -4.466
  519   1HB   HIS  73          2HB       HIS  73  -3.182  -6.173  -6.222
  520   2HB   HIS  73          1HB       HIS  73  -4.525  -5.132  -6.647
  521    HD1  HIS  73           HD1      HIS  73  -0.786  -5.044  -6.042
  522    HD2  HIS  73           HD2      HIS  73  -3.836  -2.548  -7.477
  523    HE1  HIS  73           HE1      HIS  73   0.374  -3.022  -7.080
  524    H    ASP  74           H        ASP  74  -3.954  -6.004  -2.183
  525    HA   ASP  74           HA       ASP  74  -5.346  -8.368  -2.842
  526   1HB   ASP  74          1HB       ASP  74  -3.933  -7.227  -0.561
  527   2HB   ASP  74          2HB       ASP  74  -5.454  -7.909  -0.021
  528    H    ALA  75           H        ALA  75  -7.589  -8.741  -2.680
  529    HA   ALA  75           HA       ALA  75  -9.176  -6.535  -1.558
  530   1HB   ALA  75          1HB       ALA  75  -9.419  -8.230  -4.010
  531   2HB   ALA  75          3HB       ALA  75 -10.926  -7.800  -3.166
  532   3HB   ALA  75          2HB       ALA  75  -9.840  -6.519  -3.757
  533    H    LYS  76           H        LYS  76  -7.962  -9.550  -0.866
  534    HA   LYS  76           HA       LYS  76 -10.436 -10.570   0.280
  535   1HB   LYS  76          1HB       LYS  76  -8.453 -11.849  -1.037
  536   2HB   LYS  76          2HB       LYS  76  -7.865 -12.029   0.604
  537   1HG   LYS  76          1HG       LYS  76  -9.259 -13.860   0.606
  538   2HG   LYS  76          2HG       LYS  76 -10.474 -12.670   1.030
  539   1HD   LYS  76          2HD       LYS  76  -9.860 -13.710  -1.775
  540   2HD   LYS  76          1HD       LYS  76 -11.291 -14.061  -0.827
  541   1HE   LYS  76          1HE       LYS  76 -10.524 -11.212  -1.594
  542   2HE   LYS  76          2HE       LYS  76 -11.507 -12.220  -2.637
  543   1HZ   LYS  76          1HZ       LYS  76 -13.055 -12.479  -0.801
  544   2HZ   LYS  76          2HZ       LYS  76 -12.149 -11.497   0.138
  545   3HZ   LYS  76          3HZ       LYS  76 -12.872 -10.906  -1.202
  546    H    GLY  77           H        GLY  77 -10.043 -11.624   2.594
  547   1HA   GLY  77          2HA       GLY  77 -10.157 -10.040   4.589
  548   2HA   GLY  77          1HA       GLY  77  -8.466  -9.746   4.235
  549    H    GLY  78           H        GLY  78  -8.806 -10.674   6.699
  550   1HA   GLY  78          2HA       GLY  78  -8.120 -13.546   6.510
  551   2HA   GLY  78          1HA       GLY  78  -9.175 -12.913   7.758
  552    H    ALA  79           H        ALA  79  -7.839 -10.407   8.288
  553    HA   ALA  79           HA       ALA  79  -6.187 -10.956  10.292
  554   1HB   ALA  79          1HB       ALA  79  -3.915 -10.431   8.826
  555   2HB   ALA  79          3HB       ALA  79  -4.819 -11.500   7.727
  556   3HB   ALA  79          2HB       ALA  79  -4.422 -12.047   9.374
  557    H    LYS  80           H        LYS  80  -5.978  -9.021   7.221
  558    HA   LYS  80           HA       LYS  80  -6.742  -6.661   8.599
  559   1HB   LYS  80          1HB       LYS  80  -4.459  -5.535   7.871
  560   2HB   LYS  80          2HB       LYS  80  -4.662  -6.278   9.445
  561   1HG   LYS  80          1HG       LYS  80  -3.739  -8.445   8.446
  562   2HG   LYS  80          2HG       LYS  80  -3.375  -7.548   6.985
  563   1HD   LYS  80          1HD       LYS  80  -2.243  -7.040   9.773
  564   2HD   LYS  80          2HD       LYS  80  -1.365  -7.622   8.372
  565   1HE   LYS  80          1HE       LYS  80  -2.717  -4.885   8.544
  566   2HE   LYS  80          2HE       LYS  80  -1.009  -5.164   8.825
  567   1HZ   LYS  80          1HZ       LYS  80  -1.458  -6.363   6.459
  568   2HZ   LYS  80          2HZ       LYS  80  -2.422  -5.047   6.367
  569   3HZ   LYS  80          3HZ       LYS  80  -0.824  -4.871   6.655
  570    HA   PRO  81           HA       PRO  81  -7.839  -5.610   4.498
  571   1HB   PRO  81          1HB       PRO  81  -7.944  -2.875   4.657
  572   2HB   PRO  81          2HB       PRO  81  -9.077  -3.939   5.553
  573   1HG   PRO  81          2HG       PRO  81  -6.735  -2.627   6.332
  574   2HG   PRO  81          1HG       PRO  81  -8.179  -2.677   7.397
  575   1HD   PRO  81          1HD       PRO  81  -5.988  -4.256   7.848
  576   2HD   PRO  81          2HD       PRO  81  -7.643  -4.872   8.135
  577    H    THR  82           H        THR  82  -7.114  -3.605   2.777
  578    HA   THR  82           HA       THR  82  -4.190  -3.475   2.845
  579    HB   THR  82           HB       THR  82  -4.218  -4.211   0.407
  580    HG1  THR  82           HG1      THR  82  -6.401  -5.425   0.056
  581   1HG2  THR  82          1HG2      THR  82  -4.582  -5.882   2.735
  582   2HG2  THR  82          2HG2      THR  82  -5.568  -6.559   1.416
  583   3HG2  THR  82          3HG2      THR  82  -3.820  -6.319   1.187
  584    H    CYS  83           H        CYS  83  -3.845  -2.294   0.316
  585    HA   CYS  83           HA       CYS  83  -4.715   0.336   0.979
  586   1HB   CYS  83          1HB       CYS  83  -3.367  -0.435  -1.595
  587   2HB   CYS  83          2HB       CYS  83  -3.303   1.089  -0.733
  588    H    ILE  84           H        ILE  84  -6.185  -2.325  -0.473
  589    HA   ILE  84           HA       ILE  84  -7.772  -0.623  -2.263
  590    HB   ILE  84           HB       ILE  84  -6.906  -3.478  -2.376
  591   1HG1  ILE  84          1HG1      ILE  84  -5.685  -1.709  -3.604
  592   2HG1  ILE  84          2HG1      ILE  84  -6.364  -2.937  -4.654
  593   1HG2  ILE  84          1HG2      ILE  84  -9.511  -2.384  -3.420
  594   2HG2  ILE  84          2HG2      ILE  84  -8.673  -3.726  -4.236
  595   3HG2  ILE  84          3HG2      ILE  84  -9.192  -3.900  -2.542
  596   1HD1  ILE  84          1HD1      ILE  84  -8.416  -1.008  -4.417
  597   2HD1  ILE  84          2HD1      ILE  84  -6.912  -0.069  -4.581
  598   3HD1  ILE  84          3HD1      ILE  84  -7.353  -1.266  -5.821
  599    H    SER  85           H        SER  85  -7.858  -3.182   0.276
  600    HA   SER  85           HA       SER  85 -10.559  -3.481   0.419
  601   1HB   SER  85          1HB       SER  85  -8.451  -4.525   1.758
  602   2HB   SER  85          2HB       SER  85  -9.015  -3.420   2.995
  603    HG   SER  85           HG       SER  85 -11.043  -4.944   1.756
  604    H    CYS  86           H        CYS  86  -8.507  -1.333   2.535
  605    HA   CYS  86           HA       CYS  86 -10.640  -0.056   3.744
  606   1HB   CYS  86          1HB       CYS  86  -8.133  -0.062   4.374
  607   2HB   CYS  86          2HB       CYS  86  -7.971   1.275   3.253
  608    H    HIS  87           H        HIS  87  -8.492   1.056   1.015
  609    HA   HIS  87           HA       HIS  87  -9.751   3.377   0.420
  610   1HB   HIS  87          1HB       HIS  87  -8.284   1.353  -1.247
  611   2HB   HIS  87          2HB       HIS  87  -9.019   2.743  -2.022
  612    HD1  HIS  87           HD1      HIS  87  -6.708   3.757  -2.649
  613    HD2  HIS  87           HD2      HIS  87  -7.299   3.252   1.473
  614    HE1  HIS  87           HE1      HIS  87  -4.837   5.052  -1.494
  615    H    LYS  88           H        LYS  88 -10.725   0.032  -0.445
  616    HA   LYS  88           HA       LYS  88 -12.730   0.718  -2.254
  617   1HB   LYS  88          1HB       LYS  88 -12.004  -1.671  -0.625
  618   2HB   LYS  88          2HB       LYS  88 -13.633  -1.612  -1.267
  619   1HG   LYS  88          1HG       LYS  88 -11.183  -1.088  -3.005
  620   2HG   LYS  88          2HG       LYS  88 -11.832  -2.699  -2.769
  621   1HD   LYS  88          1HD       LYS  88 -14.131  -1.333  -3.421
  622   2HD   LYS  88          2HD       LYS  88 -12.951  -0.412  -4.332
  623   1HE   LYS  88          1HE       LYS  88 -12.959  -3.449  -4.460
  624   2HE   LYS  88          2HE       LYS  88 -14.061  -2.517  -5.454
  625   1HZ   LYS  88          1HZ       LYS  88 -11.720  -1.272  -5.832
  626   2HZ   LYS  88          2HZ       LYS  88 -11.243  -2.829  -5.704
  627   3HZ   LYS  88          3HZ       LYS  88 -12.346  -2.403  -6.830
  628    H    ASP  89           H        ASP  89 -12.806   0.209   1.329
  629    HA   ASP  89           HA       ASP  89 -15.492   0.501   1.658
  630   1HB   ASP  89          1HB       ASP  89 -13.454   0.050   3.333
  631   2HB   ASP  89          2HB       ASP  89 -13.574   1.774   3.620
  632    H    LYS  90           H        LYS  90 -12.849   2.943   1.378
  633    HA   LYS  90           HA       LYS  90 -14.373   5.184   2.072
  634   1HB   LYS  90          1HB       LYS  90 -11.740   4.628   0.837
  635   2HB   LYS  90          2HB       LYS  90 -12.444   6.177   0.422
  636   1HG   LYS  90          1HG       LYS  90 -12.010   5.113   3.253
  637   2HG   LYS  90          2HG       LYS  90 -11.061   6.360   2.470
  638   1HD   LYS  90          1HD       LYS  90 -13.598   7.392   2.158
  639   2HD   LYS  90          2HD       LYS  90 -13.790   6.525   3.669
  640   1HE   LYS  90          1HE       LYS  90 -11.798   7.712   4.609
  641   2HE   LYS  90          2HE       LYS  90 -11.594   8.573   3.097
  642   1HZ   LYS  90          1HZ       LYS  90 -14.234   8.771   4.130
  643   2HZ   LYS  90          2HZ       LYS  90 -13.117   9.380   5.154
  644   3HZ   LYS  90          3HZ       LYS  90 -13.224   9.952   3.628
  645    H    ALA  91           H        ALA  91 -13.758   3.512  -1.061
  646    HA   ALA  91           HA       ALA  91 -15.517   5.416  -2.386
  647   1HB   ALA  91          1HB       ALA  91 -14.282   3.069  -3.782
  648   2HB   ALA  91          3HB       ALA  91 -14.497   4.746  -4.340
  649   3HB   ALA  91          2HB       ALA  91 -13.194   4.350  -3.193
  650    H    GLY  92           H        GLY  92 -16.478   3.506  -0.270
  651   1HA   GLY  92          2HA       GLY  92 -18.053   1.911   0.051
  652   2HA   GLY  92          1HA       GLY  92 -17.877   1.397  -1.615
  653    H    ASP  93           H        ASP  93 -19.490   1.888  -3.061
  654    HA   ASP  93           HA       ASP  93 -21.609   2.414  -3.494
  655   1HB   ASP  93          1HB       ASP  93 -21.778   3.017  -0.909
  656   2HB   ASP  93          2HB       ASP  93 -21.642   4.671  -1.472
  657    H    ASP  94           H        ASP  94 -18.891   4.550  -2.993
  658    HA   ASP  94           HA       ASP  94 -20.031   6.618  -4.648
  659   1HB   ASP  94          1HB       ASP  94 -18.555   6.979  -2.529
  660   2HB   ASP  94          2HB       ASP  94 -17.201   6.496  -3.531
  661    H    LYS  95           H        LYS  95 -19.881   6.200  -6.864
  662    HA   LYS  95           HA       LYS  95 -17.911   4.409  -7.880
  663   1HB   LYS  95          1HB       LYS  95 -20.131   6.063  -9.063
  664   2HB   LYS  95          2HB       LYS  95 -18.947   5.301 -10.106
  665   1HG   LYS  95          1HG       LYS  95 -19.463   3.083  -9.152
  666   2HG   LYS  95          2HG       LYS  95 -20.546   3.803  -7.977
  667   1HD   LYS  95          1HD       LYS  95 -22.251   4.047  -9.497
  668   2HD   LYS  95          2HD       LYS  95 -21.172   4.558 -10.780
  669   1HE   LYS  95          1HE       LYS  95 -21.389   2.496 -11.702
  670   2HE   LYS  95          2HE       LYS  95 -20.501   1.843 -10.339
  671   1HZ   LYS  95          1HZ       LYS  95 -23.367   2.359 -10.118
  672   2HZ   LYS  95          2HZ       LYS  95 -22.823   0.977 -10.797
  673   3HZ   LYS  95          3HZ       LYS  95 -22.446   1.329  -9.248
  674    H    GLU  96           H        GLU  96 -18.318   7.943  -7.584
  675    HA   GLU  96           HA       GLU  96 -16.271   8.582  -9.376
  676   1HB   GLU  96          1HB       GLU  96 -18.041  10.173  -8.650
  677   2HB   GLU  96          2HB       GLU  96 -17.388  10.173  -7.024
  678   1HG   GLU  96          1HG       GLU  96 -15.126  10.882  -8.188
  679   2HG   GLU  96          2HG       GLU  96 -16.144  11.302  -9.552
  680    H    LEU  97           H        LEU  97 -16.390   7.978  -5.828
  681    HA   LEU  97           HA       LEU  97 -13.671   8.707  -5.424
  682   1HB   LEU  97          1HB       LEU  97 -15.683   8.651  -3.786
  683   2HB   LEU  97          2HB       LEU  97 -15.287   6.954  -3.601
  684    HG   LEU  97           HG       LEU  97 -14.266   8.154  -1.811
  685   1HD1  LEU  97          1HD1      LEU  97 -12.960   6.333  -3.070
  686   2HD1  LEU  97          2HD1      LEU  97 -11.960   7.669  -3.690
  687   3HD1  LEU  97          3HD1      LEU  97 -12.068   7.377  -1.937
  688   1HD2  LEU  97          1HD2      LEU  97 -13.852  10.190  -3.808
  689   2HD2  LEU  97          2HD2      LEU  97 -13.762  10.302  -2.034
  690   3HD2  LEU  97          3HD2      LEU  97 -12.324   9.828  -2.970
  691    H    LYS  98           H        LYS  98 -15.239   6.029  -6.888
  692    HA   LYS  98           HA       LYS  98 -13.187   4.136  -6.135
  693   1HB   LYS  98          1HB       LYS  98 -15.659   3.590  -6.412
  694   2HB   LYS  98          2HB       LYS  98 -15.425   3.771  -8.139
  695   1HG   LYS  98          1HG       LYS  98 -13.779   1.978  -8.193
  696   2HG   LYS  98          2HG       LYS  98 -13.695   1.918  -6.443
  697   1HD   LYS  98          1HD       LYS  98 -15.105   0.090  -7.006
  698   2HD   LYS  98          2HD       LYS  98 -16.223   1.336  -6.491
  699   1HE   LYS  98          1HE       LYS  98 -17.123   0.426  -8.535
  700   2HE   LYS  98          2HE       LYS  98 -16.486   2.007  -8.942
  701   1HZ   LYS  98          1HZ       LYS  98 -14.795  -0.356  -9.210
  702   2HZ   LYS  98          2HZ       LYS  98 -15.868   0.021 -10.382
  703   3HZ   LYS  98          3HZ       LYS  98 -14.684   1.076  -9.988
  704    H    LYS  99           H        LYS  99 -12.566   6.718  -7.603
  705    HA   LYS  99           HA       LYS  99 -11.030   5.432  -9.712
  706   1HB   LYS  99          1HB       LYS  99 -13.120   7.544 -10.140
  707   2HB   LYS  99          2HB       LYS  99 -11.677   7.558 -11.133
  708   1HG   LYS  99          1HG       LYS  99 -12.587   4.830 -10.991
  709   2HG   LYS  99          2HG       LYS  99 -13.985   5.827 -11.341
  710   1HD   LYS  99          1HD       LYS  99 -13.176   6.498 -13.408
  711   2HD   LYS  99          2HD       LYS  99 -11.505   6.492 -12.881
  712   1HE   LYS  99          1HE       LYS  99 -11.657   3.919 -12.818
  713   2HE   LYS  99          2HE       LYS  99 -13.208   4.070 -13.619
  714   1HZ   LYS  99          1HZ       LYS  99 -11.393   5.652 -14.983
  715   2HZ   LYS  99          2HZ       LYS  99 -10.680   4.201 -14.752
  716   3HZ   LYS  99          3HZ       LYS  99 -12.127   4.290 -15.505
  717    H    LYS 100           H        LYS 100  -9.982   6.016  -7.286
  718    HA   LYS 100           HA       LYS 100  -8.017   7.923  -7.948
  719   1HB   LYS 100          1HB       LYS 100  -8.628   9.374  -5.836
  720   2HB   LYS 100          2HB       LYS 100  -9.306   9.733  -7.411
  721   1HG   LYS 100          1HG       LYS 100 -11.355   8.425  -6.839
  722   2HG   LYS 100          2HG       LYS 100 -10.677   8.038  -5.270
  723   1HD   LYS 100          1HD       LYS 100 -12.176   9.915  -4.957
  724   2HD   LYS 100          2HD       LYS 100 -10.543  10.520  -4.769
  725   1HE   LYS 100          2HE       LYS 100 -11.829  12.067  -6.183
  726   2HE   LYS 100          1HE       LYS 100 -10.562  11.323  -7.139
  727   1HZ   LYS 100          1HZ       LYS 100 -12.983   9.830  -7.150
  728   2HZ   LYS 100          2HZ       LYS 100 -13.169  11.333  -7.760
  729   3HZ   LYS 100          3HZ       LYS 100 -12.060  10.323  -8.404
  730    H    LEU 101           H        LEU 101  -9.785   6.171  -5.330
  731    HA   LEU 101           HA       LEU 101  -7.224   5.675  -4.028
  732   1HB   LEU 101          2HB       LEU 101  -9.983   4.936  -3.064
  733   2HB   LEU 101          1HB       LEU 101  -8.496   4.979  -2.138
  734    HG   LEU 101           HG       LEU 101 -10.140   7.292  -3.158
  735   1HD1  LEU 101          1HD1      LEU 101 -10.573   6.118  -0.924
  736   2HD1  LEU 101          2HD1      LEU 101  -9.044   6.853  -0.382
  737   3HD1  LEU 101          3HD1      LEU 101 -10.393   7.889  -0.906
  738   1HD2  LEU 101          1HD2      LEU 101  -7.297   7.420  -2.116
  739   2HD2  LEU 101          2HD2      LEU 101  -7.855   7.833  -3.755
  740   3HD2  LEU 101          3HD2      LEU 101  -8.371   8.818  -2.365
  741    H    THR 102           H        THR 102  -9.710   4.176  -6.032
  742    HA   THR 102           HA       THR 102  -8.169   1.672  -5.893
  743    HB   THR 102           HB       THR 102 -10.227   0.424  -5.839
  744    HG1  THR 102           HG1      THR 102 -11.494   1.598  -7.330
  745   1HG2  THR 102          1HG2      THR 102  -9.710   1.905  -3.689
  746   2HG2  THR 102          2HG2      THR 102 -11.118   2.845  -4.239
  747   3HG2  THR 102          3HG2      THR 102 -11.300   1.119  -3.845
  748    H    GLY 103           H        GLY 103  -8.691   4.314  -7.703
  749   1HA   GLY 103          2HA       GLY 103  -8.638   4.770  -9.903
  750   2HA   GLY 103          1HA       GLY 103  -9.592   3.326 -10.180
  751    H    CYS 104           H        CYS 104  -8.650   1.701 -11.340
  752    HA   CYS 104           HA       CYS 104  -6.118   0.736 -10.922
  753   1HB   CYS 104          1HB       CYS 104  -8.209   0.434 -12.962
  754   2HB   CYS 104          2HB       CYS 104  -6.589   0.141 -13.564
  755    H    LYS 105           H        LYS 105  -7.337   3.018 -13.484
  756    HA   LYS 105           HA       LYS 105  -4.572   3.977 -13.738
  757   1HB   LYS 105          1HB       LYS 105  -4.956   4.327 -16.112
  758   2HB   LYS 105          2HB       LYS 105  -5.195   2.643 -15.695
  759   1HG   LYS 105          1HG       LYS 105  -7.578   2.816 -15.841
  760   2HG   LYS 105          2HG       LYS 105  -7.548   4.565 -15.741
  761   1HD   LYS 105          1HD       LYS 105  -7.775   4.449 -18.022
  762   2HD   LYS 105          2HD       LYS 105  -6.037   4.226 -17.993
  763   1HE   LYS 105          1HE       LYS 105  -8.084   1.954 -17.966
  764   2HE   LYS 105          2HE       LYS 105  -7.215   2.498 -19.388
  765   1HZ   LYS 105          1HZ       LYS 105  -5.177   2.076 -17.881
  766   2HZ   LYS 105          2HZ       LYS 105  -6.193   1.095 -17.061
  767   3HZ   LYS 105          3HZ       LYS 105  -5.898   0.825 -18.644
  768    H    GLY 106           H        GLY 106  -4.267   6.196 -13.691
  769   1HA   GLY 106          2HA       GLY 106  -6.439   8.028 -14.032
  770   2HA   GLY 106          1HA       GLY 106  -4.796   8.391 -13.542
  771    H    SER 107           H        SER 107  -4.563   6.695 -11.235
  772    HA   SER 107           HA       SER 107  -6.615   7.881  -9.534
  773   1HB   SER 107          1HB       SER 107  -6.169   5.978  -7.964
  774   2HB   SER 107          2HB       SER 107  -6.799   5.456  -9.513
  775    HG   SER 107           HG       SER 107  -4.995   4.146  -8.830
  776    H    ALA 108           H        ALA 108  -5.615   7.845  -7.061
  777    HA   ALA 108           HA       ALA 108  -3.448   9.690  -7.197
  778   1HB   ALA 108          1HB       ALA 108  -3.980  10.128  -4.989
  779   2HB   ALA 108          3HB       ALA 108  -5.524   9.438  -5.546
  780   3HB   ALA 108          2HB       ALA 108  -4.376   8.429  -4.633
  781    H    CYS 109           H        CYS 109  -3.578   6.352  -7.494
  782    HA   CYS 109           HA       CYS 109  -1.059   5.989  -6.060
  783   1HB   CYS 109          1HB       CYS 109  -3.115   3.990  -7.044
  784   2HB   CYS 109          2HB       CYS 109  -1.536   3.524  -6.445
  785    H    HIS 110           H        HIS 110  -2.783   5.430  -9.202
  786    HA   HIS 110           HA       HIS 110  -0.140   5.312 -10.464
  787   1HB   HIS 110          1HB       HIS 110  -2.706   3.931 -11.298
  788   2HB   HIS 110          2HB       HIS 110  -1.223   3.937 -12.231
  789    HD1  HIS 110           HD1      HIS 110   0.940   3.205 -10.305
  790    HD2  HIS 110           HD2      HIS 110  -2.886   1.499 -10.093
  791    HE1  HIS 110           HE1      HIS 110   1.208   1.004  -9.043
  792    HA   PRO 111           HA       PRO 111  -2.151   8.997 -12.191
  793   1HB   PRO 111          1HB       PRO 111  -0.336  10.851 -11.492
  794   2HB   PRO 111          2HB       PRO 111  -1.394  10.116 -10.244
  795   1HG   PRO 111          2HG       PRO 111   1.227   9.418 -11.184
  796   2HG   PRO 111          1HG       PRO 111   1.120   9.435  -9.394
  797   1HD   PRO 111          1HD       PRO 111   1.097   7.093 -10.748
  798   2HD   PRO 111          2HD       PRO 111  -0.036   7.334  -9.384
  799    H    SER 112           H        SER 112  -1.477   7.471 -14.151
  800    HA   SER 112           HA       SER 112   0.198   9.048 -15.766
  801   1HB   SER 112          1HB       SER 112   1.371   6.701 -14.410
  802   2HB   SER 112          2HB       SER 112   1.548   6.633 -16.152
  803    HG   SER 112           HG       SER 112   2.831   8.410 -16.154

  No H/Q in entry =         803
  Start of MODEL   19
    1    H1   VAL   1           H1       VAL   1   8.569   8.967  16.937
    2    H2   VAL   1           H2       VAL   1   9.611   8.010  17.797
    3    H3   VAL   1           H3       VAL   1   9.850   9.647  17.735
    4    HA   VAL   1           HA       VAL   1  11.398   8.824  16.328
    5    HB   VAL   1           HB       VAL   1  10.775   6.582  16.165
    6   1HG1  VAL   1          1HG1      VAL   1   8.313   7.007  16.452
    7   2HG1  VAL   1          2HG1      VAL   1   8.225   7.339  14.705
    8   3HG1  VAL   1          3HG1      VAL   1   8.713   5.727  15.282
    9   1HG2  VAL   1          1HG2      VAL   1  11.891   7.441  14.139
   10   2HG2  VAL   1          2HG2      VAL   1  10.800   6.084  13.772
   11   3HG2  VAL   1          3HG2      VAL   1  10.301   7.752  13.402
   12    H    ASP   2           H        ASP   2   8.377  10.336  16.138
   13    HA   ASP   2           HA       ASP   2   7.576  11.938  14.919
   14   1HB   ASP   2          1HB       ASP   2  10.184  12.576  15.046
   15   2HB   ASP   2          2HB       ASP   2  10.121  12.263  13.323
   16    H    VAL   3           H        VAL   3   6.069  11.133  13.435
   17    HA   VAL   3           HA       VAL   3   6.590   9.212  11.526
   18    HB   VAL   3           HB       VAL   3   4.399  10.226  12.543
   19   1HG1  VAL   3          1HG1      VAL   3   4.680  12.470  11.577
   20   2HG1  VAL   3          2HG1      VAL   3   4.622  11.776   9.940
   21   3HG1  VAL   3          3HG1      VAL   3   3.189  11.693  10.993
   22   1HG2  VAL   3          1HG2      VAL   3   4.631   8.219  11.054
   23   2HG2  VAL   3          2HG2      VAL   3   3.108   9.116  10.845
   24   3HG2  VAL   3          3HG2      VAL   3   4.418   9.297   9.654
   25    HA   PRO   4           HA       PRO   4   9.319  11.147   8.666
   26   1HB   PRO   4          1HB       PRO   4   7.762   9.297   6.828
   27   2HB   PRO   4          2HB       PRO   4   9.529   9.555   7.001
   28   1HG   PRO   4          1HG       PRO   4   8.481   7.403   8.224
   29   2HG   PRO   4          2HG       PRO   4   9.823   8.358   8.934
   30   1HD   PRO   4          2HD       PRO   4   6.883   8.263   9.650
   31   2HD   PRO   4          1HD       PRO   4   8.295   8.599  10.697
   32    H    ALA   5           H        ALA   5   9.098  12.458   6.593
   33    HA   ALA   5           HA       ALA   5   6.515  13.799   6.639
   34   1HB   ALA   5          1HB       ALA   5   7.880  15.372   5.062
   35   2HB   ALA   5          2HB       ALA   5   8.281  15.337   6.795
   36   3HB   ALA   5          3HB       ALA   5   9.290  14.447   5.630
   37    H    ASP   6           H        ASP   6   5.584  14.470   4.454
   38    HA   ASP   6           HA       ASP   6   4.975  12.227   3.022
   39   1HB   ASP   6          2HB       ASP   6   3.721  13.656   1.643
   40   2HB   ASP   6          1HB       ASP   6   3.869  14.605   3.108
   41    H    GLY   7           H        GLY   7   5.272  13.218   0.234
   42   1HA   GLY   7          2HA       GLY   7   7.962  13.787  -0.404
   43   2HA   GLY   7          1HA       GLY   7   6.715  13.209  -1.492
   44    H    ALA   8           H        ALA   8   6.272  10.822   0.480
   45    HA   ALA   8           HA       ALA   8   8.749   9.368   0.186
   46   1HB   ALA   8          1HB       ALA   8   6.648   9.362   2.003
   47   2HB   ALA   8          2HB       ALA   8   6.356   7.889   1.048
   48   3HB   ALA   8          3HB       ALA   8   7.915   8.118   1.875
   49    H    LYS   9           H        LYS   9   9.242   8.675  -1.848
   50    HA   LYS   9           HA       LYS   9   7.050   7.820  -3.562
   51   1HB   LYS   9          1HB       LYS   9   8.288   8.602  -5.241
   52   2HB   LYS   9          2HB       LYS   9   9.344   9.299  -4.030
   53   1HG   LYS   9          1HG       LYS   9  10.522   6.964  -3.986
   54   2HG   LYS   9          2HG       LYS   9   9.657   6.641  -5.476
   55   1HD   LYS   9          2HD       LYS   9  11.607   7.557  -6.352
   56   2HD   LYS   9          1HD       LYS   9  10.640   9.012  -6.210
   57   1HE   LYS   9          1HE       LYS   9  12.821   9.490  -5.253
   58   2HE   LYS   9          2HE       LYS   9  11.672   9.422  -3.931
   59   1HZ   LYS   9          1HZ       LYS   9  12.546   6.864  -4.247
   60   2HZ   LYS   9          2HZ       LYS   9  13.895   7.768  -4.420
   61   3HZ   LYS   9          3HZ       LYS   9  12.989   7.902  -3.067
   62    H    ILE  10           H        ILE  10   6.635   5.710  -4.071
   63    HA   ILE  10           HA       ILE  10   8.470   3.753  -2.879
   64    HB   ILE  10           HB       ILE  10   5.523   3.475  -3.476
   65   1HG1  ILE  10          1HG1      ILE  10   6.574   3.551  -0.686
   66   2HG1  ILE  10          2HG1      ILE  10   6.478   5.075  -1.545
   67   1HG2  ILE  10          1HG2      ILE  10   7.627   1.614  -2.481
   68   2HG2  ILE  10          2HG2      ILE  10   6.010   1.516  -1.743
   69   3HG2  ILE  10          3HG2      ILE  10   6.201   1.304  -3.500
   70   1HD1  ILE  10          1HD1      ILE  10   4.062   3.431  -1.936
   71   2HD1  ILE  10          2HD1      ILE  10   4.366   3.816  -0.225
   72   3HD1  ILE  10          3HD1      ILE  10   4.207   5.127  -1.418
   73    H    ASP  11           H        ASP  11   9.675   2.589  -4.271
   74    HA   ASP  11           HA       ASP  11   8.483   1.808  -6.756
   75   1HB   ASP  11          1HB       ASP  11   9.446   3.845  -7.550
   76   2HB   ASP  11          2HB       ASP  11  10.868   3.672  -6.541
   77    H    PHE  12           H        PHE  12   8.758  -0.357  -5.878
   78    HA   PHE  12           HA       PHE  12  11.562  -1.147  -5.512
   79   1HB   PHE  12          1HB       PHE  12   8.928  -2.307  -4.421
   80   2HB   PHE  12          2HB       PHE  12  10.516  -2.953  -4.056
   81    HD1  PHE  12           HD1      PHE  12  11.974  -0.335  -3.655
   82    HD2  PHE  12           HD2      PHE  12   8.198  -1.692  -2.274
   83    HE1  PHE  12           HE1      PHE  12  12.145   1.202  -1.678
   84    HE2  PHE  12           HE2      PHE  12   8.369  -0.155  -0.297
   85    HZ   PHE  12           HZ       PHE  12  10.340   1.273  -0.023
   86    H    ILE  13           H        ILE  13   8.485  -1.685  -7.170
   87    HA   ILE  13           HA       ILE  13   9.500  -4.159  -8.331
   88    HB   ILE  13           HB       ILE  13   6.802  -2.810  -8.413
   89   1HG1  ILE  13          1HG1      ILE  13   7.514  -5.474  -7.180
   90   2HG1  ILE  13          2HG1      ILE  13   7.647  -3.976  -6.280
   91   1HG2  ILE  13          1HG2      ILE  13   7.911  -5.107  -9.969
   92   2HG2  ILE  13          2HG2      ILE  13   6.227  -5.194  -9.400
   93   3HG2  ILE  13          3HG2      ILE  13   6.745  -3.851 -10.447
   94   1HD1  ILE  13          1HD1      ILE  13   5.085  -4.098  -7.689
   95   2HD1  ILE  13          2HD1      ILE  13   5.314  -5.520  -6.644
   96   3HD1  ILE  13          3HD1      ILE  13   5.406  -3.883  -5.951
   97    H    ALA  14           H        ALA  14  10.968  -3.781  -9.927
   98    HA   ALA  14           HA       ALA  14  11.672  -3.200 -11.954
   99   1HB   ALA  14          1HB       ALA  14  10.016  -3.101 -13.467
  100   2HB   ALA  14          2HB       ALA  14   8.845  -2.857 -12.148
  101   3HB   ALA  14          3HB       ALA  14   9.604  -1.453 -12.935
  102    H    GLY  15           H        GLY  15  11.911  -0.916 -13.349
  103   1HA   GLY  15          2HA       GLY  15  13.259   0.818 -11.499
  104   2HA   GLY  15          1HA       GLY  15  11.803   1.535 -12.160
  105    H    GLY  16           H        GLY  16  12.144   2.782 -13.939
  106   1HA   GLY  16          2HA       GLY  16  13.709   1.791 -16.141
  107   2HA   GLY  16          1HA       GLY  16  14.485   3.107 -15.282
  108    H    GLU  17           H        GLU  17  12.848   5.028 -14.714
  109    HA   GLU  17           HA       GLU  17  11.788   6.731 -15.558
  110   1HB   GLU  17          1HB       GLU  17  12.705   5.369 -17.983
  111   2HB   GLU  17          2HB       GLU  17  11.185   6.195 -18.266
  112   1HG   GLU  17          1HG       GLU  17  13.319   7.586 -18.637
  113   2HG   GLU  17          2HG       GLU  17  12.081   8.322 -17.639
  114    H    LYS  18           H        LYS  18  10.545   3.683 -17.101
  115    HA   LYS  18           HA       LYS  18   7.835   4.635 -16.780
  116   1HB   LYS  18          1HB       LYS  18   7.223   2.625 -18.009
  117   2HB   LYS  18          2HB       LYS  18   8.489   3.501 -18.846
  118   1HG   LYS  18          1HG       LYS  18  10.166   1.925 -18.238
  119   2HG   LYS  18          2HG       LYS  18   9.222   1.287 -16.906
  120   1HD   LYS  18          1HD       LYS  18   7.651   0.208 -18.441
  121   2HD   LYS  18          2HD       LYS  18   8.373   1.005 -19.824
  122   1HE   LYS  18          1HE       LYS  18  10.565  -0.271 -18.636
  123   2HE   LYS  18          2HE       LYS  18   9.266  -1.416 -18.376
  124   1HZ   LYS  18          1HZ       LYS  18   8.758  -1.208 -20.754
  125   2HZ   LYS  18          2HZ       LYS  18  10.076  -0.265 -20.953
  126   3HZ   LYS  18          3HZ       LYS  18  10.247  -1.818 -20.476
  127    H    ASN  19           H        ASN  19   8.908   4.642 -14.298
  128    HA   ASN  19           HA       ASN  19   8.174   2.083 -13.145
  129   1HB   ASN  19          1HB       ASN  19   9.136   3.414 -11.012
  130   2HB   ASN  19          2HB       ASN  19  10.218   2.645 -12.157
  131   2HD2  ASN  19          2HD2      ASN  19   8.348   5.670 -11.874
  132   1HD2  ASN  19          1HD2      ASN  19   9.609   6.753 -12.362
  133    H    LEU  20           H        LEU  20   6.301   1.936 -11.847
  134    HA   LEU  20           HA       LEU  20   4.589   4.245 -11.797
  135   1HB   LEU  20          1HB       LEU  20   4.281   1.374 -10.934
  136   2HB   LEU  20          2HB       LEU  20   3.048   2.584 -10.641
  137    HG   LEU  20           HG       LEU  20   3.984   1.431 -13.256
  138   1HD1  LEU  20          1HD1      LEU  20   1.337   1.714 -11.836
  139   2HD1  LEU  20          2HD1      LEU  20   1.450   1.321 -13.568
  140   3HD1  LEU  20          3HD1      LEU  20   2.176   0.234 -12.360
  141   1HD2  LEU  20          1HD2      LEU  20   2.625   4.098 -12.849
  142   2HD2  LEU  20          2HD2      LEU  20   4.103   3.731 -13.770
  143   3HD2  LEU  20          3HD2      LEU  20   2.521   3.181 -14.371
  144    H    THR  21           H        THR  21   6.104   5.585 -10.487
  145    HA   THR  21           HA       THR  21   6.595   4.789  -7.781
  146    HB   THR  21           HB       THR  21   6.816   7.650  -8.665
  147    HG1  THR  21           HG1      THR  21   8.417   5.413  -9.685
  148   1HG2  THR  21          1HG2      THR  21   7.934   6.406  -6.593
  149   2HG2  THR  21          2HG2      THR  21   9.068   5.797  -7.823
  150   3HG2  THR  21          3HG2      THR  21   8.904   7.549  -7.552
  151    H    VAL  22           H        VAL  22   5.095   4.676  -6.241
  152    HA   VAL  22           HA       VAL  22   2.793   6.461  -6.485
  153    HB   VAL  22           HB       VAL  22   3.308   3.920  -4.937
  154   1HG1  VAL  22          1HG1      VAL  22   1.938   5.586  -3.637
  155   2HG1  VAL  22          2HG1      VAL  22   0.736   5.527  -4.949
  156   3HG1  VAL  22          3HG1      VAL  22   1.102   4.060  -4.010
  157   1HG2  VAL  22          1HG2      VAL  22   2.533   4.281  -7.557
  158   2HG2  VAL  22          2HG2      VAL  22   2.221   2.831  -6.574
  159   3HG2  VAL  22          3HG2      VAL  22   0.976   4.095  -6.717
  160    H    VAL  23           H        VAL  23   2.449   8.127  -5.074
  161    HA   VAL  23           HA       VAL  23   4.532   8.534  -3.076
  162    HB   VAL  23           HB       VAL  23   2.375  10.401  -4.080
  163   1HG1  VAL  23          1HG1      VAL  23   3.915  10.623  -1.810
  164   2HG1  VAL  23          2HG1      VAL  23   4.876  11.521  -3.010
  165   3HG1  VAL  23          3HG1      VAL  23   3.185  11.981  -2.699
  166   1HG2  VAL  23          1HG2      VAL  23   4.864   9.516  -5.312
  167   2HG2  VAL  23          2HG2      VAL  23   3.540  10.497  -5.987
  168   3HG2  VAL  23          3HG2      VAL  23   4.839  11.277  -5.052
  169    H    PHE  24           H        PHE  24   4.047   8.941  -0.856
  170    HA   PHE  24           HA       PHE  24   1.288   8.437  -0.064
  171   1HB   PHE  24          1HB       PHE  24   2.534   6.258  -0.021
  172   2HB   PHE  24          2HB       PHE  24   3.843   7.002   0.875
  173    HD1  PHE  24           HD1      PHE  24   0.260   6.076   1.104
  174    HD2  PHE  24           HD2      PHE  24   3.793   7.090   3.224
  175    HE1  PHE  24           HE1      PHE  24  -0.849   5.430   3.261
  176    HE2  PHE  24           HE2      PHE  24   2.684   6.444   5.381
  177    HZ   PHE  24           HZ       PHE  24   0.377   5.621   5.374
  178    H    ASN  25           H        ASN  25   0.756   9.263   2.055
  179    HA   ASN  25           HA       ASN  25   2.868  10.899   3.206
  180   1HB   ASN  25          1HB       ASN  25   0.784  11.999   1.778
  181   2HB   ASN  25          2HB       ASN  25   0.059  11.944   3.372
  182   2HD2  ASN  25          2HD2      ASN  25   2.522  12.182   4.835
  183   1HD2  ASN  25          1HD2      ASN  25   3.080  13.816   4.693
  184    H    HIS  26           H        HIS  26   3.020  10.536   5.439
  185    HA   HIS  26           HA       HIS  26   1.226   8.682   6.620
  186   1HB   HIS  26          1HB       HIS  26   3.723  10.106   7.395
  187   2HB   HIS  26          2HB       HIS  26   2.694   9.557   8.703
  188    HD1  HIS  26           HD1      HIS  26   4.628   8.203   5.716
  189    HD2  HIS  26           HD2      HIS  26   2.794   6.834   9.231
  190    HE1  HIS  26           HE1      HIS  26   5.301   5.755   5.966
  191    H    SER  27           H        SER  27   1.173  12.076   6.095
  192    HA   SER  27           HA       SER  27  -0.333  12.608   8.482
  193   1HB   SER  27          2HB       SER  27  -0.410  14.945   7.586
  194   2HB   SER  27          1HB       SER  27   1.222  14.325   7.730
  195    HG   SER  27           HG       SER  27  -0.005  15.288   5.522
  196    H    THR  28           H        THR  28  -1.123  10.840   5.952
  197    HA   THR  28           HA       THR  28  -3.700  12.174   5.448
  198    HB   THR  28           HB       THR  28  -2.165  10.083   3.815
  199    HG1  THR  28           HG1      THR  28  -1.972  12.110   2.460
  200   1HG2  THR  28          1HG2      THR  28  -4.883  11.277   3.618
  201   2HG2  THR  28          2HG2      THR  28  -3.902  11.481   2.147
  202   3HG2  THR  28          3HG2      THR  28  -4.215   9.851   2.789
  203    H    HIS  29           H        HIS  29  -2.065   9.214   6.568
  204    HA   HIS  29           HA       HIS  29  -4.712   8.087   7.090
  205   1HB   HIS  29          1HB       HIS  29  -2.010   6.715   7.015
  206   2HB   HIS  29          2HB       HIS  29  -3.551   5.931   7.298
  207    HD1  HIS  29           HD1      HIS  29  -1.685   7.814   4.555
  208    HD2  HIS  29           HD2      HIS  29  -4.931   5.198   5.017
  209    HE1  HIS  29           HE1      HIS  29  -2.411   7.152   2.200
  210    H    LYS  30           H        LYS  30  -3.256  10.283   8.611
  211    HA   LYS  30           HA       LYS  30  -2.158   9.282  10.948
  212   1HB   LYS  30          2HB       LYS  30  -2.526  11.495  11.850
  213   2HB   LYS  30          1HB       LYS  30  -1.984  11.616  10.188
  214   1HG   LYS  30          1HG       LYS  30  -3.774  13.068  10.043
  215   2HG   LYS  30          2HG       LYS  30  -4.641  11.583   9.705
  216   1HD   LYS  30          2HD       LYS  30  -5.979  12.436  11.408
  217   2HD   LYS  30          1HD       LYS  30  -4.874  11.466  12.362
  218   1HE   LYS  30          1HE       LYS  30  -3.466  13.466  12.811
  219   2HE   LYS  30          2HE       LYS  30  -4.504  14.448  11.797
  220   1HZ   LYS  30          1HZ       LYS  30  -5.421  13.018  14.195
  221   2HZ   LYS  30          2HZ       LYS  30  -5.032  14.604  14.154
  222   3HZ   LYS  30          3HZ       LYS  30  -6.304  14.052  13.290
  223    H    ASP  31           H        ASP  31  -5.424   9.191   9.755
  224    HA   ASP  31           HA       ASP  31  -6.553   8.974  12.372
  225   1HB   ASP  31          2HB       ASP  31  -8.648   8.917  11.275
  226   2HB   ASP  31          1HB       ASP  31  -7.675   9.935  10.231
  227    H    VAL  32           H        VAL  32  -4.677   6.994  10.434
  228    HA   VAL  32           HA       VAL  32  -6.116   4.560  11.233
  229    HB   VAL  32           HB       VAL  32  -4.076   4.957   9.035
  230   1HG1  VAL  32          1HG1      VAL  32  -4.145   2.676  10.028
  231   2HG1  VAL  32          2HG1      VAL  32  -5.875   2.580   9.618
  232   3HG1  VAL  32          3HG1      VAL  32  -4.659   2.713   8.325
  233   1HG2  VAL  32          1HG2      VAL  32  -7.082   5.043   9.047
  234   2HG2  VAL  32          2HG2      VAL  32  -5.917   6.080   8.189
  235   3HG2  VAL  32          3HG2      VAL  32  -6.219   4.420   7.619
  236    H    LYS  33           H        LYS  33  -5.165   3.212  12.697
  237    HA   LYS  33           HA       LYS  33  -3.050   4.059  14.230
  238   1HB   LYS  33          2HB       LYS  33  -4.009   1.218  13.770
  239   2HB   LYS  33          1HB       LYS  33  -3.025   1.762  15.114
  240   1HG   LYS  33          1HG       LYS  33  -5.129   3.573  15.196
  241   2HG   LYS  33          2HG       LYS  33  -5.937   2.122  14.637
  242   1HD   LYS  33          1HD       LYS  33  -4.292   1.145  16.673
  243   2HD   LYS  33          2HD       LYS  33  -4.760   2.717  17.290
  244   1HE   LYS  33          1HE       LYS  33  -6.573   1.478  18.046
  245   2HE   LYS  33          2HE       LYS  33  -7.200   1.946  16.479
  246   1HZ   LYS  33          1HZ       LYS  33  -5.778  -0.570  17.017
  247   2HZ   LYS  33          2HZ       LYS  33  -7.400  -0.418  16.896
  248   3HZ   LYS  33          3HZ       LYS  33  -6.454  -0.137  15.595
  249    H    CYS  34           H        CYS  34  -0.857   3.046  14.491
  250    HA   CYS  34           HA       CYS  34   0.451   3.116  11.970
  251   1HB   CYS  34          2HB       CYS  34   1.686   2.328  14.606
  252   2HB   CYS  34          1HB       CYS  34   2.482   2.990  13.191
  253    H    ASP  35           H        ASP  35  -0.427   0.652  14.454
  254    HA   ASP  35           HA       ASP  35   0.982  -1.432  13.266
  255   1HB   ASP  35          1HB       ASP  35  -0.571  -2.886  14.644
  256   2HB   ASP  35          2HB       ASP  35   0.249  -1.636  15.559
  257    H    ASP  36           H        ASP  36  -1.722   0.360  12.221
  258    HA   ASP  36           HA       ASP  36  -3.378  -1.630  11.229
  259   1HB   ASP  36          1HB       ASP  36  -3.666   0.997  11.472
  260   2HB   ASP  36          2HB       ASP  36  -3.001   1.046   9.851
  261    H    CYS  37           H        CYS  37  -0.240  -0.445  10.284
  262    HA   CYS  37           HA       CYS  37  -0.473  -1.914   7.766
  263   1HB   CYS  37          1HB       CYS  37   0.869   0.779   8.160
  264   2HB   CYS  37          2HB       CYS  37   1.112  -0.236   6.752
  265    H    HIS  38           H        HIS  38   1.673  -0.425  10.286
  266    HA   HIS  38           HA       HIS  38   3.827  -2.175   9.613
  267   1HB   HIS  38          1HB       HIS  38   3.445  -0.285  11.952
  268   2HB   HIS  38          2HB       HIS  38   4.937  -1.115  11.556
  269    HD1  HIS  38           HD1      HIS  38   5.865  -0.528   8.983
  270    HD2  HIS  38           HD2      HIS  38   3.229   2.185  10.798
  271    HE1  HIS  38           HE1      HIS  38   6.135   1.679   7.730
  272    H    HIS  39           H        HIS  39   2.480  -4.193   9.797
  273    HA   HIS  39           HA       HIS  39   1.728  -4.917  12.476
  274   1HB   HIS  39          2HB       HIS  39   0.681  -6.777  11.524
  275   2HB   HIS  39          1HB       HIS  39   0.441  -5.490  10.359
  276    HD1  HIS  39           HD1      HIS  39   1.889  -8.872  10.736
  277    HD2  HIS  39           HD2      HIS  39   2.142  -5.706   7.996
  278    HE1  HIS  39           HE1      HIS  39   2.920  -9.844   8.614
  279    H    GLN  40           H        GLN  40   4.201  -4.402  12.971
  280    HA   GLN  40           HA       GLN  40   5.486  -7.009  12.928
  281   1HB   GLN  40          1HB       GLN  40   6.666  -4.358  12.063
  282   2HB   GLN  40          2HB       GLN  40   7.708  -5.590  12.745
  283   1HG   GLN  40          2HG       GLN  40   5.900  -5.909  10.304
  284   2HG   GLN  40          1HG       GLN  40   7.649  -5.799  10.288
  285   2HE2  GLN  40          2HE2      GLN  40   5.007  -7.829  10.349
  286   1HE2  GLN  40          1HE2      GLN  40   5.764  -9.323  10.789
  287    HA   PRO  41           HA       PRO  41   6.085  -6.584  17.233
  288   1HB   PRO  41          1HB       PRO  41   8.722  -7.432  17.496
  289   2HB   PRO  41          2HB       PRO  41   7.334  -8.525  17.186
  290   1HG   PRO  41          2HG       PRO  41   9.148  -7.231  15.152
  291   2HG   PRO  41          1HG       PRO  41   8.870  -9.001  15.062
  292   1HD   PRO  41          1HD       PRO  41   7.346  -7.587  13.512
  293   2HD   PRO  41          2HD       PRO  41   6.446  -8.574  14.702
  294    H    GLY  42           H        GLY  42   7.069  -5.148  18.843
  295   1HA   GLY  42          2HA       GLY  42   8.154  -3.308  19.556
  296   2HA   GLY  42          1HA       GLY  42   7.664  -2.609  18.025
  297    H    ASP  43           H        ASP  43   9.914  -1.518  18.790
  298    HA   ASP  43           HA       ASP  43  12.045  -1.233  18.466
  299   1HB   ASP  43          1HB       ASP  43  11.908  -4.025  18.923
  300   2HB   ASP  43          2HB       ASP  43  12.871  -3.871  17.467
  301    H    LYS  44           H        LYS  44  11.190  -3.931  16.153
  302    HA   LYS  44           HA       LYS  44  12.079  -2.190  13.968
  303   1HB   LYS  44          1HB       LYS  44  13.094  -4.565  14.526
  304   2HB   LYS  44          2HB       LYS  44  11.681  -5.149  13.670
  305   1HG   LYS  44          1HG       LYS  44  12.372  -3.358  11.840
  306   2HG   LYS  44          2HG       LYS  44  13.937  -3.414  12.627
  307   1HD   LYS  44          1HD       LYS  44  12.560  -5.999  11.839
  308   2HD   LYS  44          2HD       LYS  44  13.414  -5.066  10.626
  309   1HE   LYS  44          1HE       LYS  44  15.480  -5.604  11.476
  310   2HE   LYS  44          2HE       LYS  44  14.956  -5.424  13.139
  311   1HZ   LYS  44          1HZ       LYS  44  14.340  -7.726  11.418
  312   2HZ   LYS  44          2HZ       LYS  44  15.463  -7.702  12.604
  313   3HZ   LYS  44          3HZ       LYS  44  13.880  -7.560  12.976
  314    H    GLN  45           H        GLN  45   9.421  -2.198  15.477
  315    HA   GLN  45           HA       GLN  45   7.455  -3.417  14.069
  316   1HB   GLN  45          1HB       GLN  45   7.106  -2.176  16.178
  317   2HB   GLN  45          2HB       GLN  45   7.414  -0.655  15.364
  318   1HG   GLN  45          1HG       GLN  45   5.390  -0.742  14.136
  319   2HG   GLN  45          2HG       GLN  45   5.243  -2.480  14.302
  320   2HE2  GLN  45          2HE2      GLN  45   5.177   0.576  16.075
  321   1HE2  GLN  45          1HE2      GLN  45   4.085   0.094  17.330
  322    H    TYR  46           H        TYR  46   9.251  -0.464  13.341
  323    HA   TYR  46           HA       TYR  46   7.691  -0.101  10.838
  324   1HB   TYR  46          1HB       TYR  46   9.747   1.778  12.018
  325   2HB   TYR  46          2HB       TYR  46   8.486   2.135  10.825
  326    HD1  TYR  46           HD1      TYR  46   6.084   2.203  11.538
  327    HD2  TYR  46           HD2      TYR  46   9.308   1.878  14.358
  328    HE1  TYR  46           HE1      TYR  46   4.562   2.917  13.360
  329    HE2  TYR  46           HE2      TYR  46   7.786   2.591  16.181
  330    HH   TYR  46           HH       TYR  46   5.509   2.871  16.753
  331    H    ALA  47           H        ALA  47   8.739  -1.944   9.720
  332    HA   ALA  47           HA       ALA  47  11.493  -1.245   8.962
  333   1HB   ALA  47          1HB       ALA  47  10.915  -3.387  10.473
  334   2HB   ALA  47          3HB       ALA  47  10.561  -4.091   8.877
  335   3HB   ALA  47          2HB       ALA  47  12.177  -3.428   9.218
  336    H    GLY  48           H        GLY  48  11.902  -2.869   6.827
  337   1HA   GLY  48          2HA       GLY  48  11.555  -2.806   4.592
  338   2HA   GLY  48          1HA       GLY  48  10.229  -1.685   4.829
  339    H    CYS  49           H        CYS  49   8.714  -2.688   3.460
  340    HA   CYS  49           HA       CYS  49   7.410  -4.952   4.610
  341   1HB   CYS  49          1HB       CYS  49   6.767  -3.667   1.959
  342   2HB   CYS  49          2HB       CYS  49   5.710  -4.605   2.995
  343    H    THR  50           H        THR  50   9.660  -4.195   1.952
  344    HA   THR  50           HA       THR  50   9.380  -6.865   0.827
  345    HB   THR  50           HB       THR  50  11.150  -5.816  -0.773
  346    HG1  THR  50           HG1      THR  50  11.899  -4.004   0.301
  347   1HG2  THR  50          1HG2      THR  50   8.480  -4.360  -0.389
  348   2HG2  THR  50          2HG2      THR  50   9.503  -4.259  -1.842
  349   3HG2  THR  50          3HG2      THR  50   8.733  -5.803  -1.401
  350    H    THR  51           H        THR  51  10.473  -6.224   3.639
  351    HA   THR  51           HA       THR  51  13.247  -6.794   3.531
  352    HB   THR  51           HB       THR  51  11.242  -7.200   5.810
  353    HG1  THR  51           HG1      THR  51  11.444  -4.945   6.012
  354   1HG2  THR  51          1HG2      THR  51  14.197  -6.387   5.771
  355   2HG2  THR  51          2HG2      THR  51  13.178  -6.549   7.221
  356   3HG2  THR  51          3HG2      THR  51  13.594  -7.988   6.261
  357    H    ASP  52           H        ASP  52  14.340  -8.738   4.288
  358    HA   ASP  52           HA       ASP  52  13.566 -10.928   2.867
  359   1HB   ASP  52          1HB       ASP  52  15.362 -12.066   3.939
  360   2HB   ASP  52          2HB       ASP  52  15.838 -10.380   3.956
  361    H    GLY  53           H        GLY  53  12.741 -13.075   3.634
  362   1HA   GLY  53          2HA       GLY  53  11.845 -13.626   6.203
  363   2HA   GLY  53          1HA       GLY  53  11.272 -14.375   4.727
  364    H    CYS  54           H        CYS  54  10.512 -11.503   3.730
  365    HA   CYS  54           HA       CYS  54   7.956 -11.481   5.144
  366   1HB   CYS  54          2HB       CYS  54   9.408  -8.945   4.341
  367   2HB   CYS  54          1HB       CYS  54   7.911  -9.079   5.243
  368    H    HIS  55           H        HIS  55   7.764  -8.880   3.213
  369    HA   HIS  55           HA       HIS  55   6.718 -10.452   1.016
  370   1HB   HIS  55          2HB       HIS  55   6.494  -7.465   1.425
  371   2HB   HIS  55          1HB       HIS  55   5.513  -8.485   0.392
  372    HD1  HIS  55           HD1      HIS  55   3.914 -10.271   1.710
  373    HD2  HIS  55           HD2      HIS  55   5.522  -7.133   3.983
  374    HE1  HIS  55           HE1      HIS  55   2.519 -10.144   3.843
  375    H    ASN  56           H        ASN  56   9.431 -10.718   1.031
  376    HA   ASN  56           HA       ASN  56  10.552  -8.640  -0.589
  377   1HB   ASN  56          1HB       ASN  56  11.889  -9.836   1.188
  378   2HB   ASN  56          2HB       ASN  56  11.711 -11.336   0.299
  379   2HD2  ASN  56          2HD2      ASN  56  14.123  -9.946   1.029
  380   1HD2  ASN  56          1HD2      ASN  56  14.987  -9.566  -0.423
  381    H    ILE  57           H        ILE  57   8.681  -9.262  -2.247
  382    HA   ILE  57           HA       ILE  57   9.812 -11.243  -4.082
  383    HB   ILE  57           HB       ILE  57   6.873 -10.967  -3.450
  384   1HG1  ILE  57          1HG1      ILE  57   8.446 -12.002  -1.654
  385   2HG1  ILE  57          2HG1      ILE  57   6.962 -12.825  -2.088
  386   1HG2  ILE  57          1HG2      ILE  57   7.474 -11.621  -5.787
  387   2HG2  ILE  57          2HG2      ILE  57   8.296 -13.052  -5.121
  388   3HG2  ILE  57          3HG2      ILE  57   6.543 -12.847  -4.893
  389   1HD1  ILE  57          1HD1      ILE  57   9.562 -13.460  -3.524
  390   2HD1  ILE  57          2HD1      ILE  57   9.143 -14.238  -1.979
  391   3HD1  ILE  57          3HD1      ILE  57   8.092 -14.457  -3.399
  392    H    LEU  58           H        LEU  58  10.511 -10.072  -5.787
  393    HA   LEU  58           HA       LEU  58   8.948  -7.708  -6.513
  394   1HB   LEU  58          2HB       LEU  58  11.746  -8.532  -7.303
  395   2HB   LEU  58          1HB       LEU  58  10.940  -7.049  -7.776
  396    HG   LEU  58           HG       LEU  58  11.796  -7.852  -4.986
  397   1HD1  LEU  58          1HD1      LEU  58  13.487  -6.973  -6.707
  398   2HD1  LEU  58          2HD1      LEU  58  12.656  -5.409  -6.529
  399   3HD1  LEU  58          3HD1      LEU  58  13.421  -6.176  -5.116
  400   1HD2  LEU  58          1HD2      LEU  58  10.191  -5.440  -5.871
  401   2HD2  LEU  58          2HD2      LEU  58   9.672  -6.741  -4.773
  402   3HD2  LEU  58          3HD2      LEU  58  10.963  -5.620  -4.277
  403    H    ASP  59           H        ASP  59   8.692 -10.861  -7.087
  404    HA   ASP  59           HA       ASP  59   8.662 -10.670  -9.968
  405   1HB   ASP  59          1HB       ASP  59   7.845 -13.171  -9.595
  406   2HB   ASP  59          2HB       ASP  59   9.536 -12.753  -9.405
  407    H    LYS  60           H        LYS  60   6.788  -9.006  -9.643
  408    HA   LYS  60           HA       LYS  60   4.398  -9.511  -8.488
  409   1HB   LYS  60          1HB       LYS  60   3.450  -7.920 -10.056
  410   2HB   LYS  60          2HB       LYS  60   5.038  -7.390  -9.541
  411   1HG   LYS  60          1HG       LYS  60   5.762  -8.828 -11.740
  412   2HG   LYS  60          2HG       LYS  60   4.141  -8.377 -12.230
  413   1HD   LYS  60          1HD       LYS  60   4.639  -6.102 -12.321
  414   2HD   LYS  60          2HD       LYS  60   5.845  -6.199 -11.054
  415   1HE   LYS  60          1HE       LYS  60   7.462  -7.236 -12.575
  416   2HE   LYS  60          2HE       LYS  60   6.251  -7.406 -13.829
  417   1HZ   LYS  60          1HZ       LYS  60   6.055  -4.916 -13.678
  418   2HZ   LYS  60          2HZ       LYS  60   7.444  -4.935 -12.818
  419   3HZ   LYS  60          3HZ       LYS  60   7.425  -5.497 -14.351
  420    H    ALA  61           H        ALA  61   2.460 -10.578  -9.005
  421    HA   ALA  61           HA       ALA  61   1.102 -11.996 -10.059
  422   1HB   ALA  61          1HB       ALA  61   2.821 -12.680 -12.356
  423   2HB   ALA  61          3HB       ALA  61   1.153 -12.058 -12.322
  424   3HB   ALA  61          2HB       ALA  61   2.525 -10.933 -12.179
  425    H    ASP  62           H        ASP  62   2.814 -12.779  -8.000
  426    HA   ASP  62           HA       ASP  62   3.798 -15.354  -8.932
  427   1HB   ASP  62          1HB       ASP  62   5.303 -13.681  -7.643
  428   2HB   ASP  62          2HB       ASP  62   4.324 -14.037  -6.234
  429    H    LYS  63           H        LYS  63   3.676 -16.993  -6.801
  430    HA   LYS  63           HA       LYS  63   0.931 -16.750  -5.780
  431   1HB   LYS  63          1HB       LYS  63   2.403 -19.235  -6.703
  432   2HB   LYS  63          2HB       LYS  63   0.873 -19.252  -5.851
  433   1HG   LYS  63          1HG       LYS  63   0.220 -17.484  -7.803
  434   2HG   LYS  63          2HG       LYS  63   1.477 -18.356  -8.657
  435   1HD   LYS  63          1HD       LYS  63   0.071 -20.091  -9.036
  436   2HD   LYS  63          2HD       LYS  63  -0.188 -20.297  -7.315
  437   1HE   LYS  63          1HE       LYS  63  -1.720 -18.038  -7.849
  438   2HE   LYS  63          2HE       LYS  63  -1.904 -18.950  -9.334
  439   1HZ   LYS  63          1HZ       LYS  63  -2.117 -20.676  -7.147
  440   2HZ   LYS  63          2HZ       LYS  63  -3.139 -19.421  -6.928
  441   3HZ   LYS  63          3HZ       LYS  63  -3.237 -20.327  -8.283
  442    H    SER  64           H        SER  64   1.686 -15.656  -3.883
  443    HA   SER  64           HA       SER  64   2.315 -17.395  -1.821
  444   1HB   SER  64          1HB       SER  64   4.615 -16.581  -3.264
  445   2HB   SER  64          2HB       SER  64   4.619 -15.595  -1.815
  446    HG   SER  64           HG       SER  64   5.057 -18.344  -2.110
  447    H    VAL  65           H        VAL  65   2.326 -16.247   0.285
  448    HA   VAL  65           HA       VAL  65   0.823 -13.809   0.107
  449    HB   VAL  65           HB       VAL  65   0.153 -15.458   1.688
  450   1HG1  VAL  65          1HG1      VAL  65   3.053 -15.493   2.412
  451   2HG1  VAL  65          2HG1      VAL  65   1.868 -15.805   3.703
  452   3HG1  VAL  65          3HG1      VAL  65   1.894 -16.834   2.251
  453   1HG2  VAL  65          1HG2      VAL  65   0.430 -12.847   2.307
  454   2HG2  VAL  65          2HG2      VAL  65  -0.294 -14.042   3.409
  455   3HG2  VAL  65          3HG2      VAL  65   1.409 -13.565   3.608
  456    H    ASN  66           H        ASN  66   4.024 -14.423  -0.328
  457    HA   ASN  66           HA       ASN  66   4.944 -12.260   1.345
  458   1HB   ASN  66          2HB       ASN  66   6.504 -14.036  -0.604
  459   2HB   ASN  66          1HB       ASN  66   7.210 -12.947   0.573
  460   2HD2  ASN  66          2HD2      ASN  66   6.312 -13.273   2.870
  461   1HD2  ASN  66          1HD2      ASN  66   6.256 -14.904   3.451
  462    H    SER  67           H        SER  67   3.213 -12.312  -1.360
  463    HA   SER  67           HA       SER  67   4.898 -10.974  -3.197
  464   1HB   SER  67          1HB       SER  67   2.492 -10.473  -4.232
  465   2HB   SER  67          2HB       SER  67   3.200 -12.074  -4.323
  466    HG   SER  67           HG       SER  67   0.965 -12.077  -3.560
  467    H    TRP  68           H        TRP  68   5.142  -8.750  -3.541
  468    HA   TRP  68           HA       TRP  68   3.945  -7.050  -1.497
  469   1HB   TRP  68          1HB       TRP  68   6.246  -6.751  -1.555
  470   2HB   TRP  68          2HB       TRP  68   6.328  -6.839  -3.303
  471    HD1  TRP  68           HD1      TRP  68   6.598  -4.510  -4.455
  472    HE1  TRP  68           HE1      TRP  68   6.186  -1.965  -3.893
  473    HE3  TRP  68           HE3      TRP  68   4.428  -5.319   0.072
  474    HZ2  TRP  68           HZ2      TRP  68   5.025  -0.606  -1.668
  475    HZ3  TRP  68           HZ3      TRP  68   3.683  -3.329   1.375
  476    HH2  TRP  68           HH2      TRP  68   3.952  -1.035   0.573
  477    H    TYR  69           H        TYR  69   2.761  -8.322  -4.069
  478    HA   TYR  69           HA       TYR  69   1.707  -5.781  -5.221
  479   1HB   TYR  69          1HB       TYR  69   3.087  -6.926  -6.848
  480   2HB   TYR  69          2HB       TYR  69   2.257  -8.460  -6.536
  481    HD1  TYR  69           HD1      TYR  69  -0.241  -8.613  -7.093
  482    HD2  TYR  69           HD2      TYR  69   2.298  -5.442  -8.490
  483    HE1  TYR  69           HE1      TYR  69  -1.877  -8.091  -8.883
  484    HE2  TYR  69           HE2      TYR  69   0.662  -4.920 -10.280
  485    HH   TYR  69           HH       TYR  69  -2.285  -5.560 -10.404
  486    H    LYS  70           H        LYS  70   1.017  -8.564  -3.334
  487    HA   LYS  70           HA       LYS  70  -1.759  -8.599  -4.249
  488   1HB   LYS  70          1HB       LYS  70  -0.419 -10.733  -4.046
  489   2HB   LYS  70          2HB       LYS  70  -0.391 -10.483  -2.312
  490   1HG   LYS  70          1HG       LYS  70  -3.086 -10.126  -2.883
  491   2HG   LYS  70          2HG       LYS  70  -2.636 -11.343  -4.060
  492   1HD   LYS  70          1HD       LYS  70  -1.945 -11.574  -1.097
  493   2HD   LYS  70          2HD       LYS  70  -3.420 -12.228  -1.781
  494   1HE   LYS  70          1HE       LYS  70  -0.577 -12.984  -2.611
  495   2HE   LYS  70          2HE       LYS  70  -1.665 -13.974  -1.656
  496   1HZ   LYS  70          1HZ       LYS  70  -3.024 -13.249  -3.941
  497   2HZ   LYS  70          2HZ       LYS  70  -1.541 -13.729  -4.427
  498   3HZ   LYS  70          3HZ       LYS  70  -2.473 -14.733  -3.539
  499    H    VAL  71           H        VAL  71   0.329  -8.070  -1.356
  500    HA   VAL  71           HA       VAL  71  -1.805  -7.547   0.394
  501    HB   VAL  71           HB       VAL  71  -0.066  -6.614   1.834
  502   1HG1  VAL  71          1HG1      VAL  71  -0.400  -9.166   1.291
  503   2HG1  VAL  71          2HG1      VAL  71   1.216  -9.015   0.561
  504   3HG1  VAL  71          3HG1      VAL  71   0.978  -8.628   2.282
  505   1HG2  VAL  71          1HG2      VAL  71   1.214  -5.959  -0.585
  506   2HG2  VAL  71          2HG2      VAL  71   1.820  -5.698   1.068
  507   3HG2  VAL  71          3HG2      VAL  71   2.248  -7.184   0.187
  508    H    VAL  72           H        VAL  72  -0.736  -5.877  -2.361
  509    HA   VAL  72           HA       VAL  72  -1.588  -3.298  -1.264
  510    HB   VAL  72           HB       VAL  72  -0.082  -4.025  -3.784
  511   1HG1  VAL  72          1HG1      VAL  72  -1.495  -2.037  -4.111
  512   2HG1  VAL  72          2HG1      VAL  72  -0.773  -1.285  -2.668
  513   3HG1  VAL  72          3HG1      VAL  72   0.234  -1.615  -4.099
  514   1HG2  VAL  72          1HG2      VAL  72   0.877  -3.950  -1.211
  515   2HG2  VAL  72          2HG2      VAL  72   1.849  -3.686  -2.679
  516   3HG2  VAL  72          3HG2      VAL  72   1.202  -2.294  -1.777
  517    H    HIS  73           H        HIS  73  -2.101  -5.633  -3.977
  518    HA   HIS  73           HA       HIS  73  -4.596  -4.215  -4.539
  519   1HB   HIS  73          2HB       HIS  73  -3.124  -6.198  -6.293
  520   2HB   HIS  73          1HB       HIS  73  -4.523  -5.240  -6.736
  521    HD1  HIS  73           HD1      HIS  73  -0.802  -4.999  -6.212
  522    HD2  HIS  73           HD2      HIS  73  -3.992  -2.525  -7.353
  523    HE1  HIS  73           HE1      HIS  73   0.245  -2.872  -7.155
  524    H    ASP  74           H        ASP  74  -4.292  -5.924  -2.209
  525    HA   ASP  74           HA       ASP  74  -5.436  -8.433  -2.941
  526   1HB   ASP  74          1HB       ASP  74  -4.217  -7.200  -0.587
  527   2HB   ASP  74          2HB       ASP  74  -5.715  -7.991  -0.138
  528    H    ALA  75           H        ALA  75  -7.660  -8.995  -2.704
  529    HA   ALA  75           HA       ALA  75  -9.403  -6.970  -1.503
  530   1HB   ALA  75          1HB       ALA  75  -9.138  -7.476  -4.287
  531   2HB   ALA  75          3HB       ALA  75 -10.676  -8.216  -3.781
  532   3HB   ALA  75          2HB       ALA  75 -10.374  -6.489  -3.470
  533    H    LYS  76           H        LYS  76  -8.138  -9.865  -1.066
  534    HA   LYS  76           HA       LYS  76 -10.696 -11.220  -0.598
  535   1HB   LYS  76          1HB       LYS  76  -8.822 -12.246  -2.062
  536   2HB   LYS  76          2HB       LYS  76  -7.980 -12.532  -0.552
  537   1HG   LYS  76          1HG       LYS  76 -10.238 -13.611   0.254
  538   2HG   LYS  76          2HG       LYS  76 -10.660 -13.648  -1.446
  539   1HD   LYS  76          1HD       LYS  76  -8.045 -14.813  -0.397
  540   2HD   LYS  76          2HD       LYS  76  -9.517 -15.759  -0.489
  541   1HE   LYS  76          1HE       LYS  76  -9.397 -14.595  -3.026
  542   2HE   LYS  76          2HE       LYS  76  -7.706 -14.880  -2.665
  543   1HZ   LYS  76          1HZ       LYS  76  -8.866 -17.151  -1.860
  544   2HZ   LYS  76          2HZ       LYS  76  -9.783 -16.767  -3.156
  545   3HZ   LYS  76          3HZ       LYS  76  -8.167 -16.933  -3.320
  546    H    GLY  77           H        GLY  77 -10.444  -9.233   1.153
  547   1HA   GLY  77          2HA       GLY  77 -10.695 -10.163   3.614
  548   2HA   GLY  77          1HA       GLY  77  -9.925  -8.622   3.292
  549    H    GLY  78           H        GLY  78  -9.469 -10.841   5.389
  550   1HA   GLY  78          2HA       GLY  78  -6.558 -11.096   4.931
  551   2HA   GLY  78          1HA       GLY  78  -7.527 -12.419   5.548
  552    H    ALA  79           H        ALA  79  -5.568 -11.860   7.216
  553    HA   ALA  79           HA       ALA  79  -6.717 -11.226   9.601
  554   1HB   ALA  79          1HB       ALA  79  -4.675 -11.851  10.301
  555   2HB   ALA  79          3HB       ALA  79  -3.930 -10.416   9.557
  556   3HB   ALA  79          2HB       ALA  79  -4.160 -11.898   8.598
  557    H    LYS  80           H        LYS  80  -5.693  -9.082   7.010
  558    HA   LYS  80           HA       LYS  80  -6.799  -6.859   8.450
  559   1HB   LYS  80          1HB       LYS  80  -4.545  -5.572   7.823
  560   2HB   LYS  80          2HB       LYS  80  -4.805  -6.325   9.383
  561   1HG   LYS  80          1HG       LYS  80  -3.659  -8.400   8.571
  562   2HG   LYS  80          2HG       LYS  80  -3.394  -7.641   7.014
  563   1HD   LYS  80          1HD       LYS  80  -2.263  -6.723   9.697
  564   2HD   LYS  80          2HD       LYS  80  -1.360  -7.434   8.374
  565   1HE   LYS  80          1HE       LYS  80  -2.053  -5.467   6.919
  566   2HE   LYS  80          2HE       LYS  80  -2.807  -4.743   8.325
  567   1HZ   LYS  80          1HZ       LYS  80  -0.025  -5.592   8.479
  568   2HZ   LYS  80          2HZ       LYS  80  -0.394  -4.178   7.751
  569   3HZ   LYS  80          3HZ       LYS  80  -0.790  -4.417   9.317
  570    HA   PRO  81           HA       PRO  81  -7.831  -5.665   4.374
  571   1HB   PRO  81          1HB       PRO  81  -8.041  -2.941   4.641
  572   2HB   PRO  81          2HB       PRO  81  -9.161  -4.084   5.451
  573   1HG   PRO  81          2HG       PRO  81  -6.879  -2.758   6.306
  574   2HG   PRO  81          1HG       PRO  81  -8.310  -2.822   7.387
  575   1HD   PRO  81          1HD       PRO  81  -6.160  -4.398   7.857
  576   2HD   PRO  81          2HD       PRO  81  -7.807  -5.079   8.019
  577    H    THR  82           H        THR  82  -7.137  -3.823   2.611
  578    HA   THR  82           HA       THR  82  -4.223  -3.488   2.813
  579    HB   THR  82           HB       THR  82  -4.151  -4.164   0.370
  580    HG1  THR  82           HG1      THR  82  -6.852  -5.078   1.036
  581   1HG2  THR  82          1HG2      THR  82  -4.602  -5.918   2.628
  582   2HG2  THR  82          2HG2      THR  82  -5.494  -6.567   1.232
  583   3HG2  THR  82          3HG2      THR  82  -3.740  -6.283   1.114
  584    H    CYS  83           H        CYS  83  -3.907  -2.246   0.282
  585    HA   CYS  83           HA       CYS  83  -4.835   0.347   1.015
  586   1HB   CYS  83          1HB       CYS  83  -3.496  -0.303  -1.593
  587   2HB   CYS  83          2HB       CYS  83  -3.435   1.177  -0.657
  588    H    ILE  84           H        ILE  84  -6.316  -2.288  -0.400
  589    HA   ILE  84           HA       ILE  84  -7.924  -0.594  -2.182
  590    HB   ILE  84           HB       ILE  84  -7.131  -3.488  -2.313
  591   1HG1  ILE  84          1HG1      ILE  84  -5.645  -1.907  -3.402
  592   2HG1  ILE  84          2HG1      ILE  84  -6.473  -2.886  -4.597
  593   1HG2  ILE  84          1HG2      ILE  84  -9.605  -2.195  -3.393
  594   2HG2  ILE  84          2HG2      ILE  84  -8.772  -3.427  -4.371
  595   3HG2  ILE  84          3HG2      ILE  84  -9.358  -3.832  -2.739
  596   1HD1  ILE  84          1HD1      ILE  84  -8.241  -0.823  -4.446
  597   2HD1  ILE  84          2HD1      ILE  84  -6.742   0.035  -4.016
  598   3HD1  ILE  84          3HD1      ILE  84  -6.858  -0.832  -5.566
  599    H    SER  85           H        SER  85  -7.953  -3.211   0.303
  600    HA   SER  85           HA       SER  85 -10.646  -3.544   0.472
  601   1HB   SER  85          2HB       SER  85  -9.040  -3.504   3.018
  602   2HB   SER  85          1HB       SER  85 -10.221  -4.678   2.472
  603    HG   SER  85           HG       SER  85  -8.407  -5.797   2.062
  604    H    CYS  86           H        CYS  86  -8.584  -1.363   2.543
  605    HA   CYS  86           HA       CYS  86 -10.738  -0.146   3.808
  606   1HB   CYS  86          1HB       CYS  86  -8.261  -0.142   4.477
  607   2HB   CYS  86          2HB       CYS  86  -8.054   1.172   3.335
  608    H    HIS  87           H        HIS  87  -8.590   1.043   1.111
  609    HA   HIS  87           HA       HIS  87  -9.872   3.359   0.553
  610   1HB   HIS  87          1HB       HIS  87  -8.368   1.383  -1.136
  611   2HB   HIS  87          2HB       HIS  87  -9.127   2.765  -1.901
  612    HD1  HIS  87           HD1      HIS  87  -6.965   4.004  -2.493
  613    HD2  HIS  87           HD2      HIS  87  -7.301   3.103   1.590
  614    HE1  HIS  87           HE1      HIS  87  -5.090   5.279  -1.323
  615    H    LYS  88           H        LYS  88 -10.856   0.022  -0.268
  616    HA   LYS  88           HA       LYS  88 -12.844   0.709  -2.115
  617   1HB   LYS  88          1HB       LYS  88 -12.123  -1.689  -0.490
  618   2HB   LYS  88          2HB       LYS  88 -13.740  -1.630  -1.162
  619   1HG   LYS  88          1HG       LYS  88 -11.400  -0.940  -2.950
  620   2HG   LYS  88          2HG       LYS  88 -11.703  -2.625  -2.576
  621   1HD   LYS  88          1HD       LYS  88 -13.659  -2.696  -3.804
  622   2HD   LYS  88          2HD       LYS  88 -14.121  -1.062  -3.371
  623   1HE   LYS  88          2HE       LYS  88 -13.590  -0.718  -5.608
  624   2HE   LYS  88          1HE       LYS  88 -12.020  -0.402  -4.896
  625   1HZ   LYS  88          1HZ       LYS  88 -11.779  -2.954  -5.211
  626   2HZ   LYS  88          2HZ       LYS  88 -12.915  -2.736  -6.363
  627   3HZ   LYS  88          3HZ       LYS  88 -11.495  -1.934  -6.454
  628    H    ASP  89           H        ASP  89 -12.952   0.125   1.460
  629    HA   ASP  89           HA       ASP  89 -15.645   0.455   1.750
  630   1HB   ASP  89          1HB       ASP  89 -13.637  -0.110   3.438
  631   2HB   ASP  89          2HB       ASP  89 -13.749   1.599   3.807
  632    H    LYS  90           H        LYS  90 -12.941   2.831   1.580
  633    HA   LYS  90           HA       LYS  90 -14.361   5.088   2.387
  634   1HB   LYS  90          1HB       LYS  90 -11.792   4.477   1.080
  635   2HB   LYS  90          2HB       LYS  90 -12.455   6.040   0.649
  636   1HG   LYS  90          2HG       LYS  90 -11.959   5.005   3.479
  637   2HG   LYS  90          1HG       LYS  90 -11.047   6.256   2.658
  638   1HD   LYS  90          1HD       LYS  90 -13.535   7.331   2.418
  639   2HD   LYS  90          2HD       LYS  90 -13.790   6.390   3.874
  640   1HE   LYS  90          1HE       LYS  90 -11.823   7.485   4.947
  641   2HE   LYS  90          2HE       LYS  90 -11.518   8.399   3.483
  642   1HZ   LYS  90          1HZ       LYS  90 -14.154   8.812   4.111
  643   2HZ   LYS  90          2HZ       LYS  90 -13.349   8.943   5.526
  644   3HZ   LYS  90          3HZ       LYS  90 -12.927   9.880   4.257
  645    H    ALA  91           H        ALA  91 -13.915   3.538  -0.839
  646    HA   ALA  91           HA       ALA  91 -15.386   5.576  -2.183
  647   1HB   ALA  91          1HB       ALA  91 -13.762   3.297  -2.822
  648   2HB   ALA  91          3HB       ALA  91 -14.340   4.586  -3.905
  649   3HB   ALA  91          2HB       ALA  91 -15.323   3.122  -3.659
  650    H    GLY  92           H        GLY  92 -16.167   2.047  -2.166
  651   1HA   GLY  92          2HA       GLY  92 -18.728   2.466  -0.923
  652   2HA   GLY  92          1HA       GLY  92 -18.083   0.976  -1.581
  653    H    ASP  93           H        ASP  93 -20.557   3.137  -1.944
  654    HA   ASP  93           HA       ASP  93 -21.180   2.125  -4.499
  655   1HB   ASP  93          1HB       ASP  93 -22.885   4.327  -3.917
  656   2HB   ASP  93          2HB       ASP  93 -23.244   2.624  -3.714
  657    H    ASP  94           H        ASP  94 -19.954   5.191  -3.089
  658    HA   ASP  94           HA       ASP  94 -20.404   6.900  -5.148
  659   1HB   ASP  94          1HB       ASP  94 -19.377   7.385  -2.859
  660   2HB   ASP  94          2HB       ASP  94 -17.855   6.768  -3.472
  661    H    LYS  95           H        LYS  95 -19.960   6.308  -7.302
  662    HA   LYS  95           HA       LYS  95 -17.757   4.664  -7.978
  663   1HB   LYS  95          1HB       LYS  95 -19.812   6.228  -9.533
  664   2HB   LYS  95          2HB       LYS  95 -18.468   5.456 -10.349
  665   1HG   LYS  95          1HG       LYS  95 -19.095   3.263  -9.336
  666   2HG   LYS  95          2HG       LYS  95 -20.423   4.027  -8.485
  667   1HD   LYS  95          1HD       LYS  95 -21.455   3.107 -10.414
  668   2HD   LYS  95          2HD       LYS  95 -21.265   4.802 -10.819
  669   1HE   LYS  95          1HE       LYS  95 -18.957   4.062 -11.856
  670   2HE   LYS  95          2HE       LYS  95 -19.620   2.441 -11.793
  671   1HZ   LYS  95          1HZ       LYS  95 -21.565   3.362 -13.007
  672   2HZ   LYS  95          2HZ       LYS  95 -20.726   4.746 -13.228
  673   3HZ   LYS  95          3HZ       LYS  95 -20.174   3.347 -13.864
  674    H    GLU  96           H        GLU  96 -18.350   8.178  -7.793
  675    HA   GLU  96           HA       GLU  96 -16.113   8.919  -9.275
  676   1HB   GLU  96          1HB       GLU  96 -18.028  10.240  -7.403
  677   2HB   GLU  96          2HB       GLU  96 -16.482  11.043  -7.588
  678   1HG   GLU  96          2HG       GLU  96 -18.419  10.297  -9.826
  679   2HG   GLU  96          1HG       GLU  96 -18.054  11.914  -9.259
  680    H    LEU  97           H        LEU  97 -16.548   7.759  -5.976
  681    HA   LEU  97           HA       LEU  97 -13.929   8.712  -5.175
  682   1HB   LEU  97          1HB       LEU  97 -16.093   8.660  -3.759
  683   2HB   LEU  97          2HB       LEU  97 -15.754   6.951  -3.566
  684    HG   LEU  97           HG       LEU  97 -14.854   7.948  -1.656
  685   1HD1  LEU  97          1HD1      LEU  97 -13.307   6.388  -2.920
  686   2HD1  LEU  97          2HD1      LEU  97 -12.427   7.840  -3.453
  687   3HD1  LEU  97          3HD1      LEU  97 -12.544   7.457  -1.719
  688   1HD2  LEU  97          1HD2      LEU  97 -14.609  10.255  -3.295
  689   2HD2  LEU  97          2HD2      LEU  97 -14.423  10.117  -1.530
  690   3HD2  LEU  97          3HD2      LEU  97 -13.008   9.919  -2.592
  691    H    LYS  98           H        LYS  98 -15.507   5.892  -6.542
  692    HA   LYS  98           HA       LYS  98 -13.359   4.130  -5.747
  693   1HB   LYS  98          1HB       LYS  98 -15.823   3.490  -5.895
  694   2HB   LYS  98          2HB       LYS  98 -15.648   3.546  -7.638
  695   1HG   LYS  98          1HG       LYS  98 -13.586   1.962  -7.275
  696   2HG   LYS  98          2HG       LYS  98 -14.245   1.700  -5.672
  697   1HD   LYS  98          1HD       LYS  98 -15.263  -0.034  -6.881
  698   2HD   LYS  98          2HD       LYS  98 -16.506   1.200  -6.932
  699   1HE   LYS  98          2HE       LYS  98 -16.315   0.417  -9.187
  700   2HE   LYS  98          1HE       LYS  98 -15.495   1.966  -9.174
  701   1HZ   LYS  98          1HZ       LYS  98 -13.653   0.018  -8.480
  702   2HZ   LYS  98          2HZ       LYS  98 -14.439  -0.514  -9.809
  703   3HZ   LYS  98          3HZ       LYS  98 -13.685   0.934  -9.831
  704    H    LYS  99           H        LYS  99 -12.948   6.636  -7.455
  705    HA   LYS  99           HA       LYS  99 -11.464   5.242  -9.546
  706   1HB   LYS  99          1HB       LYS  99 -13.643   7.234  -9.942
  707   2HB   LYS  99          2HB       LYS  99 -12.215   7.417 -10.940
  708   1HG   LYS  99          1HG       LYS  99 -13.279   4.627 -10.677
  709   2HG   LYS  99          2HG       LYS  99 -14.288   5.749 -11.568
  710   1HD   LYS  99          1HD       LYS  99 -11.972   6.376 -12.765
  711   2HD   LYS  99          2HD       LYS  99 -11.499   4.783 -12.211
  712   1HE   LYS  99          1HE       LYS  99 -14.186   4.752 -13.416
  713   2HE   LYS  99          2HE       LYS  99 -12.987   5.375 -14.532
  714   1HZ   LYS  99          1HZ       LYS  99 -11.962   3.145 -13.186
  715   2HZ   LYS  99          2HZ       LYS  99 -13.405   2.757 -13.845
  716   3HZ   LYS  99          3HZ       LYS  99 -12.209   3.347 -14.788
  717    H    LYS 100           H        LYS 100 -10.432   6.035  -7.084
  718    HA   LYS 100           HA       LYS 100  -8.437   7.856  -7.957
  719   1HB   LYS 100          1HB       LYS 100  -9.032   9.362  -5.823
  720   2HB   LYS 100          2HB       LYS 100  -9.597   9.727  -7.441
  721   1HG   LYS 100          1HG       LYS 100 -11.670   8.260  -6.871
  722   2HG   LYS 100          2HG       LYS 100 -11.128   8.336  -5.206
  723   1HD   LYS 100          1HD       LYS 100 -11.503  10.859  -6.868
  724   2HD   LYS 100          2HD       LYS 100 -12.842  10.127  -6.006
  725   1HE   LYS 100          1HE       LYS 100 -11.512  10.279  -3.867
  726   2HE   LYS 100          2HE       LYS 100 -10.223  11.078  -4.746
  727   1HZ   LYS 100          1HZ       LYS 100 -12.242  12.583  -5.451
  728   2HZ   LYS 100          2HZ       LYS 100 -12.819  12.090  -4.005
  729   3HZ   LYS 100          3HZ       LYS 100 -11.384  12.864  -4.091
  730    H    LEU 101           H        LEU 101 -10.109   6.296  -5.155
  731    HA   LEU 101           HA       LEU 101  -7.530   5.891  -3.889
  732   1HB   LEU 101          2HB       LEU 101 -10.290   5.117  -2.939
  733   2HB   LEU 101          1HB       LEU 101  -8.811   5.114  -1.998
  734    HG   LEU 101           HG       LEU 101 -10.399   7.475  -2.992
  735   1HD1  LEU 101          1HD1      LEU 101 -10.742   6.195  -0.730
  736   2HD1  LEU 101          2HD1      LEU 101  -9.314   7.129  -0.220
  737   3HD1  LEU 101          3HD1      LEU 101 -10.777   7.974  -0.779
  738   1HD2  LEU 101          1HD2      LEU 101  -8.057   7.920  -3.562
  739   2HD2  LEU 101          2HD2      LEU 101  -8.625   8.971  -2.243
  740   3HD2  LEU 101          3HD2      LEU 101  -7.581   7.576  -1.882
  741    H    THR 102           H        THR 102  -9.977   4.198  -5.804
  742    HA   THR 102           HA       THR 102  -8.323   1.771  -5.581
  743    HB   THR 102           HB       THR 102 -10.350   0.458  -5.577
  744    HG1  THR 102           HG1      THR 102 -11.653   1.552  -7.076
  745   1HG2  THR 102          1HG2      THR 102  -9.974   1.695  -3.376
  746   2HG2  THR 102          2HG2      THR 102 -11.065   2.967  -3.975
  747   3HG2  THR 102          3HG2      THR 102 -11.682   1.319  -3.706
  748    H    GLY 103           H        GLY 103  -8.974   4.345  -7.496
  749   1HA   GLY 103          2HA       GLY 103  -8.745   4.729  -9.697
  750   2HA   GLY 103          1HA       GLY 103  -9.765   3.328  -9.954
  751    H    CYS 104           H        CYS 104  -8.848   1.899 -11.354
  752    HA   CYS 104           HA       CYS 104  -6.319   0.791 -10.779
  753   1HB   CYS 104          1HB       CYS 104  -8.440   0.405 -12.814
  754   2HB   CYS 104          2HB       CYS 104  -6.822  -0.070 -13.291
  755    H    LYS 105           H        LYS 105  -7.647   3.049 -13.287
  756    HA   LYS 105           HA       LYS 105  -4.878   3.867 -13.819
  757   1HB   LYS 105          1HB       LYS 105  -5.522   2.614 -15.727
  758   2HB   LYS 105          2HB       LYS 105  -7.120   3.332 -15.772
  759   1HG   LYS 105          1HG       LYS 105  -5.717   5.613 -16.002
  760   2HG   LYS 105          2HG       LYS 105  -4.475   4.530 -16.597
  761   1HD   LYS 105          1HD       LYS 105  -7.203   4.078 -17.734
  762   2HD   LYS 105          2HD       LYS 105  -6.462   5.607 -18.165
  763   1HE   LYS 105          1HE       LYS 105  -4.378   4.318 -18.873
  764   2HE   LYS 105          2HE       LYS 105  -5.258   2.830 -18.586
  765   1HZ   LYS 105          1HZ       LYS 105  -6.931   3.664 -20.170
  766   2HZ   LYS 105          2HZ       LYS 105  -5.958   4.930 -20.515
  767   3HZ   LYS 105          3HZ       LYS 105  -5.468   3.408 -20.849
  768    H    GLY 106           H        GLY 106  -4.474   6.015 -13.565
  769   1HA   GLY 106          2HA       GLY 106  -6.521   7.988 -13.940
  770   2HA   GLY 106          1HA       GLY 106  -4.869   8.241 -13.413
  771    H    SER 107           H        SER 107  -4.736   6.561 -11.123
  772    HA   SER 107           HA       SER 107  -6.818   7.735  -9.453
  773   1HB   SER 107          2HB       SER 107  -6.477   5.862  -7.907
  774   2HB   SER 107          1HB       SER 107  -6.821   5.250  -9.513
  775    HG   SER 107           HG       SER 107  -5.043   4.106  -8.577
  776    H    ALA 108           H        ALA 108  -5.899   7.847  -6.991
  777    HA   ALA 108           HA       ALA 108  -3.810   9.748  -7.091
  778   1HB   ALA 108          1HB       ALA 108  -4.072   9.687  -4.606
  779   2HB   ALA 108          3HB       ALA 108  -5.169   8.297  -4.785
  780   3HB   ALA 108          2HB       ALA 108  -5.621   9.881  -5.461
  781    H    CYS 109           H        CYS 109  -3.799   6.362  -7.301
  782    HA   CYS 109           HA       CYS 109  -1.222   6.164  -5.949
  783   1HB   CYS 109          1HB       CYS 109  -3.150   4.023  -6.901
  784   2HB   CYS 109          2HB       CYS 109  -1.559   3.685  -6.248
  785    H    HIS 110           H        HIS 110  -2.975   5.523  -9.055
  786    HA   HIS 110           HA       HIS 110  -0.352   5.482 -10.363
  787   1HB   HIS 110          2HB       HIS 110  -2.895   4.064 -11.206
  788   2HB   HIS 110          1HB       HIS 110  -1.385   4.065 -12.097
  789    HD1  HIS 110           HD1      HIS 110   0.711   3.387 -10.052
  790    HD2  HIS 110           HD2      HIS 110  -3.090   1.614 -10.035
  791    HE1  HIS 110           HE1      HIS 110   0.952   1.191  -8.775
  792    HA   PRO 111           HA       PRO 111  -2.476   9.129 -12.033
  793   1HB   PRO 111          1HB       PRO 111  -0.644  11.002 -11.398
  794   2HB   PRO 111          2HB       PRO 111  -1.682  10.278 -10.127
  795   1HG   PRO 111          2HG       PRO 111   0.922   9.597 -11.135
  796   2HG   PRO 111          1HG       PRO 111   0.870   9.626  -9.342
  797   1HD   PRO 111          1HD       PRO 111   0.838   7.273 -10.669
  798   2HD   PRO 111          2HD       PRO 111  -0.269   7.514  -9.283
  799    H    SER 112           H        SER 112  -1.848   7.615 -14.014
  800    HA   SER 112           HA       SER 112  -0.344   9.206 -15.734
  801   1HB   SER 112          1HB       SER 112   1.299   7.576 -14.189
  802   2HB   SER 112          2HB       SER 112   1.074   6.608 -15.633
  803    HG   SER 112           HG       SER 112   1.795   8.428 -16.915

  No H/Q in entry =         803
  Start of MODEL   20
    1    H1   VAL   1           H1       VAL   1   7.604   8.506  17.740
    2    H2   VAL   1           H2       VAL   1   8.453   7.221  18.349
    3    H3   VAL   1           H3       VAL   1   8.867   8.766  18.780
    4    HA   VAL   1           HA       VAL   1  10.415   8.523  17.289
    5    HB   VAL   1           HB       VAL   1  10.224   6.268  16.845
    6   1HG1  VAL   1          1HG1      VAL   1   7.437   6.870  15.834
    7   2HG1  VAL   1          2HG1      VAL   1   8.252   5.321  15.509
    8   3HG1  VAL   1          3HG1      VAL   1   7.931   5.822  17.186
    9   1HG2  VAL   1          1HG2      VAL   1  11.144   7.461  14.908
   10   2HG2  VAL   1          2HG2      VAL   1  10.264   5.998  14.403
   11   3HG2  VAL   1          3HG2      VAL   1   9.513   7.600  14.209
   12    H    ASP   2           H        ASP   2   7.215   9.584  16.990
   13    HA   ASP   2           HA       ASP   2   6.266  11.172  15.862
   14   1HB   ASP   2          1HB       ASP   2   9.082  11.811  14.862
   15   2HB   ASP   2          2HB       ASP   2   7.695  12.858  14.637
   16    H    VAL   3           H        VAL   3   4.978  10.656  14.088
   17    HA   VAL   3           HA       VAL   3   5.696   8.815  12.165
   18    HB   VAL   3           HB       VAL   3   3.422   9.930  12.949
   19   1HG1  VAL   3          1HG1      VAL   3   4.056  12.127  11.875
   20   2HG1  VAL   3          2HG1      VAL   3   3.878  11.325  10.295
   21   3HG1  VAL   3          3HG1      VAL   3   2.477  11.469  11.383
   22   1HG2  VAL   3          1HG2      VAL   3   4.025   8.711  10.241
   23   2HG2  VAL   3          2HG2      VAL   3   3.451   7.893  11.714
   24   3HG2  VAL   3          3HG2      VAL   3   2.373   9.003  10.834
   25    HA   PRO   4           HA       PRO   4   8.827  10.815   9.800
   26   1HB   PRO   4          1HB       PRO   4   7.523   9.063   7.689
   27   2HB   PRO   4          2HB       PRO   4   9.250   9.283   8.119
   28   1HG   PRO   4          1HG       PRO   4   8.070   7.056   9.170
   29   2HG   PRO   4          2HG       PRO   4   9.261   8.108  10.002
   30   1HD   PRO   4          2HD       PRO   4   6.232   7.943  10.294
   31   2HD   PRO   4          1HD       PRO   4   7.476   8.195  11.555
   32    H    ALA   5           H        ALA   5   8.907  12.181   7.739
   33    HA   ALA   5           HA       ALA   5   6.457  13.697   7.580
   34   1HB   ALA   5          1HB       ALA   5   8.800  14.672   7.750
   35   2HB   ALA   5          3HB       ALA   5   9.072  14.106   6.084
   36   3HB   ALA   5          2HB       ALA   5   7.805  15.310   6.419
   37    H    ASP   6           H        ASP   6   5.298  14.112   5.595
   38    HA   ASP   6           HA       ASP   6   4.829  11.847   4.126
   39   1HB   ASP   6          1HB       ASP   6   3.283  13.152   2.941
   40   2HB   ASP   6          2HB       ASP   6   3.460  14.074   4.421
   41    H    GLY   7           H        GLY   7   4.759  12.838   1.371
   42   1HA   GLY   7          2HA       GLY   7   7.278  13.825   0.527
   43   2HA   GLY   7          1HA       GLY   7   6.030  13.102  -0.469
   44    H    ALA   8           H        ALA   8   5.961  10.577   1.210
   45    HA   ALA   8           HA       ALA   8   8.597   9.476   1.003
   46   1HB   ALA   8          1HB       ALA   8   6.352   8.958   2.513
   47   2HB   ALA   8          2HB       ALA   8   6.294   7.647   1.310
   48   3HB   ALA   8          3HB       ALA   8   7.736   7.853   2.333
   49    H    LYS   9           H        LYS   9   9.441   8.191  -0.618
   50    HA   LYS   9           HA       LYS   9   7.711   7.892  -2.969
   51   1HB   LYS   9          1HB       LYS   9  10.701   8.241  -2.681
   52   2HB   LYS   9          2HB       LYS   9   9.962   7.673  -4.165
   53   1HG   LYS   9          1HG       LYS   9   8.939  10.200  -2.830
   54   2HG   LYS   9          2HG       LYS   9  10.376  10.258  -3.831
   55   1HD   LYS   9          1HD       LYS   9   8.552   8.766  -5.374
   56   2HD   LYS   9          2HD       LYS   9   7.553  10.000  -4.632
   57   1HE   LYS   9          1HE       LYS   9   9.226  11.746  -5.418
   58   2HE   LYS   9          2HE       LYS   9  10.091  10.479  -6.265
   59   1HZ   LYS   9          1HZ       LYS   9   7.255  10.657  -6.768
   60   2HZ   LYS   9          2HZ       LYS   9   8.178  11.859  -7.377
   61   3HZ   LYS   9          3HZ       LYS   9   8.475  10.308  -7.796
   62    H    ILE  10           H        ILE  10   7.173   5.878  -3.669
   63    HA   ILE  10           HA       ILE  10   8.627   3.655  -2.413
   64    HB   ILE  10           HB       ILE  10   5.706   3.713  -3.167
   65   1HG1  ILE  10          1HG1      ILE  10   6.669   3.707  -0.327
   66   2HG1  ILE  10          2HG1      ILE  10   6.596   5.228  -1.194
   67   1HG2  ILE  10          1HG2      ILE  10   7.449   1.567  -2.726
   68   2HG2  ILE  10          2HG2      ILE  10   6.515   1.732  -1.220
   69   3HG2  ILE  10          3HG2      ILE  10   5.670   1.528  -2.773
   70   1HD1  ILE  10          1HD1      ILE  10   4.259   3.275  -0.984
   71   2HD1  ILE  10          2HD1      ILE  10   4.480   4.699   0.062
   72   3HD1  ILE  10          3HD1      ILE  10   4.216   4.910  -1.686
   73    H    ASP  11           H        ASP  11   9.756   2.444  -3.829
   74    HA   ASP  11           HA       ASP  11   8.604   1.783  -6.325
   75   1HB   ASP  11          1HB       ASP  11   9.467   3.896  -7.078
   76   2HB   ASP  11          2HB       ASP  11  10.951   3.707  -6.165
   77    H    PHE  12           H        PHE  12   9.003  -0.404  -5.651
   78    HA   PHE  12           HA       PHE  12  11.834  -1.065  -5.232
   79   1HB   PHE  12          1HB       PHE  12   9.218  -2.413  -4.324
   80   2HB   PHE  12          2HB       PHE  12  10.815  -3.041  -3.969
   81    HD1  PHE  12           HD1      PHE  12  12.376  -0.888  -3.019
   82    HD2  PHE  12           HD2      PHE  12   8.221  -1.534  -2.452
   83    HE1  PHE  12           HE1      PHE  12  12.449   0.486  -0.919
   84    HE2  PHE  12           HE2      PHE  12   8.294  -0.161  -0.352
   85    HZ   PHE  12           HZ       PHE  12  10.407   0.833   0.389
   86    H    ILE  13           H        ILE  13   8.873  -1.626  -7.071
   87    HA   ILE  13           HA       ILE  13  10.084  -3.947  -8.363
   88    HB   ILE  13           HB       ILE  13   7.294  -2.797  -8.474
   89   1HG1  ILE  13          1HG1      ILE  13   8.124  -5.451  -7.303
   90   2HG1  ILE  13          2HG1      ILE  13   8.168  -3.984  -6.346
   91   1HG2  ILE  13          1HG2      ILE  13   8.655  -4.564 -10.295
   92   2HG2  ILE  13          2HG2      ILE  13   7.331  -5.428  -9.478
   93   3HG2  ILE  13          3HG2      ILE  13   6.997  -3.920 -10.363
   94   1HD1  ILE  13          1HD1      ILE  13   5.650  -4.327  -7.881
   95   2HD1  ILE  13          2HD1      ILE  13   5.942  -5.587  -6.658
   96   3HD1  ILE  13          3HD1      ILE  13   5.891  -3.874  -6.177
   97    H    ALA  14           H        ALA  14  11.591  -3.287  -9.838
   98    HA   ALA  14           HA       ALA  14  11.165  -0.885 -11.350
   99   1HB   ALA  14          1HB       ALA  14  13.293  -3.051 -11.299
  100   2HB   ALA  14          2HB       ALA  14  13.407  -1.383 -10.690
  101   3HB   ALA  14          3HB       ALA  14  13.333  -1.687 -12.442
  102    H    GLY  15           H        GLY  15   9.248  -1.203 -12.561
  103   1HA   GLY  15          2HA       GLY  15   8.286  -3.301 -13.885
  104   2HA   GLY  15          1HA       GLY  15   9.625  -2.859 -14.925
  105    H    GLY  16           H        GLY  16   6.881  -2.739 -15.748
  106   1HA   GLY  16          2HA       GLY  16   5.775  -0.150 -15.483
  107   2HA   GLY  16          1HA       GLY  16   5.361  -1.364 -16.677
  108    H    GLU  17           H        GLU  17   5.288   1.155 -17.620
  109    HA   GLU  17           HA       GLU  17   6.771   1.191 -19.805
  110   1HB   GLU  17          1HB       GLU  17   5.313   3.188 -18.239
  111   2HB   GLU  17          2HB       GLU  17   6.657   3.925 -19.089
  112   1HG   GLU  17          1HG       GLU  17   4.433   2.235 -20.320
  113   2HG   GLU  17          2HG       GLU  17   4.677   3.957 -20.535
  114    H    LYS  18           H        LYS  18   7.748   2.675 -16.644
  115    HA   LYS  18           HA       LYS  18  10.518   2.321 -17.448
  116   1HB   LYS  18          1HB       LYS  18  11.017   4.677 -16.635
  117   2HB   LYS  18          2HB       LYS  18  10.261   4.529 -18.208
  118   1HG   LYS  18          1HG       LYS  18   8.016   4.944 -17.143
  119   2HG   LYS  18          2HG       LYS  18   8.807   5.151 -15.594
  120   1HD   LYS  18          1HD       LYS  18  10.279   6.934 -16.963
  121   2HD   LYS  18          2HD       LYS  18   8.879   6.949 -18.017
  122   1HE   LYS  18          1HE       LYS  18   7.665   7.118 -15.538
  123   2HE   LYS  18          2HE       LYS  18   9.163   7.974 -15.231
  124   1HZ   LYS  18          1HZ       LYS  18   7.817   8.630 -17.692
  125   2HZ   LYS  18          2HZ       LYS  18   7.068   9.106 -16.322
  126   3HZ   LYS  18          3HZ       LYS  18   8.591   9.605 -16.635
  127    H    ASN  19           H        ASN  19   8.174   3.438 -14.923
  128    HA   ASN  19           HA       ASN  19   8.832   1.540 -13.116
  129   1HB   ASN  19          1HB       ASN  19  10.235   2.913 -11.458
  130   2HB   ASN  19          2HB       ASN  19  11.096   2.372 -12.885
  131   2HD2  ASN  19          2HD2      ASN  19  12.328   4.290 -11.770
  132   1HD2  ASN  19          1HD2      ASN  19  12.098   5.842 -12.505
  133    H    LEU  20           H        LEU  20   6.789   1.668 -12.162
  134    HA   LEU  20           HA       LEU  20   5.448   4.176 -11.938
  135   1HB   LEU  20          1HB       LEU  20   4.791   1.355 -11.108
  136   2HB   LEU  20          2HB       LEU  20   3.742   2.711 -10.744
  137    HG   LEU  20           HG       LEU  20   4.443   1.543 -13.432
  138   1HD1  LEU  20          1HD1      LEU  20   2.468   0.815 -11.877
  139   2HD1  LEU  20          2HD1      LEU  20   1.696   2.295 -12.496
  140   3HD1  LEU  20          3HD1      LEU  20   2.210   1.020 -13.626
  141   1HD2  LEU  20          1HD2      LEU  20   3.406   4.312 -12.839
  142   2HD2  LEU  20          2HD2      LEU  20   4.731   3.814 -13.919
  143   3HD2  LEU  20          3HD2      LEU  20   3.041   3.476 -14.368
  144    H    THR  21           H        THR  21   5.760   5.651 -10.368
  145    HA   THR  21           HA       THR  21   6.826   4.661  -7.807
  146    HB   THR  21           HB       THR  21   6.989   7.550  -8.668
  147    HG1  THR  21           HG1      THR  21   8.635   5.300  -9.589
  148   1HG2  THR  21          1HG2      THR  21   8.465   5.617  -6.939
  149   2HG2  THR  21          2HG2      THR  21   9.506   6.664  -7.933
  150   3HG2  THR  21          3HG2      THR  21   8.339   7.387  -6.800
  151    H    VAL  22           H        VAL  22   5.419   4.543  -6.186
  152    HA   VAL  22           HA       VAL  22   3.061   6.270  -6.350
  153    HB   VAL  22           HB       VAL  22   3.649   3.704  -4.869
  154   1HG1  VAL  22          1HG1      VAL  22   1.582   5.765  -4.400
  155   2HG1  VAL  22          2HG1      VAL  22   0.968   4.100  -4.544
  156   3HG1  VAL  22          3HG1      VAL  22   2.203   4.491  -3.323
  157   1HG2  VAL  22          1HG2      VAL  22   2.405   4.376  -7.427
  158   2HG2  VAL  22          2HG2      VAL  22   2.961   2.805  -6.801
  159   3HG2  VAL  22          3HG2      VAL  22   1.338   3.405  -6.384
  160    H    VAL  23           H        VAL  23   2.519   7.693  -4.674
  161    HA   VAL  23           HA       VAL  23   4.697   8.124  -2.756
  162    HB   VAL  23           HB       VAL  23   2.602   9.986  -3.891
  163   1HG1  VAL  23          1HG1      VAL  23   4.723  10.457  -1.775
  164   2HG1  VAL  23          2HG1      VAL  23   3.886  11.763  -2.647
  165   3HG1  VAL  23          3HG1      VAL  23   2.960  10.645  -1.616
  166   1HG2  VAL  23          1HG2      VAL  23   5.601   9.765  -4.290
  167   2HG2  VAL  23          2HG2      VAL  23   4.319   9.573  -5.510
  168   3HG2  VAL  23          3HG2      VAL  23   4.635  11.172  -4.794
  169    H    PHE  24           H        PHE  24   4.141   8.610  -0.529
  170    HA   PHE  24           HA       PHE  24   1.395   7.965   0.203
  171   1HB   PHE  24          1HB       PHE  24   2.809   5.870   0.292
  172   2HB   PHE  24          2HB       PHE  24   3.991   6.707   1.278
  173    HD1  PHE  24           HD1      PHE  24   0.349   5.879   1.303
  174    HD2  PHE  24           HD2      PHE  24   3.898   6.419   3.565
  175    HE1  PHE  24           HE1      PHE  24  -0.861   5.145   3.376
  176    HE2  PHE  24           HE2      PHE  24   2.689   5.685   5.638
  177    HZ   PHE  24           HZ       PHE  24   0.324   5.056   5.519
  178    H    ASN  25           H        ASN  25   0.704   8.927   2.167
  179    HA   ASN  25           HA       ASN  25   2.712  10.656   3.382
  180   1HB   ASN  25          1HB       ASN  25  -0.093  11.608   3.576
  181   2HB   ASN  25          2HB       ASN  25   1.353  12.508   3.163
  182   2HD2  ASN  25          2HD2      ASN  25  -1.524  11.302   2.055
  183   1HD2  ASN  25          1HD2      ASN  25  -1.265  11.356   0.343
  184    H    HIS  26           H        HIS  26   2.874  10.268   5.603
  185    HA   HIS  26           HA       HIS  26   1.109   8.388   6.790
  186   1HB   HIS  26          1HB       HIS  26   3.605   9.814   7.521
  187   2HB   HIS  26          2HB       HIS  26   2.577   9.352   8.863
  188    HD1  HIS  26           HD1      HIS  26   4.686   7.890   6.097
  189    HD2  HIS  26           HD2      HIS  26   2.410   6.580   9.368
  190    HE1  HIS  26           HE1      HIS  26   5.258   5.424   6.425
  191    H    SER  27           H        SER  27   1.105  11.823   6.334
  192    HA   SER  27           HA       SER  27  -0.496  12.285   8.673
  193   1HB   SER  27          1HB       SER  27  -0.527  14.660   7.813
  194   2HB   SER  27          2HB       SER  27   1.080  14.024   8.104
  195    HG   SER  27           HG       SER  27   1.082  15.068   6.078
  196    H    THR  28           H        THR  28  -1.240  10.580   6.127
  197    HA   THR  28           HA       THR  28  -3.733  12.009   5.484
  198    HB   THR  28           HB       THR  28  -2.081   9.920   3.974
  199    HG1  THR  28           HG1      THR  28  -2.960  12.686   3.520
  200   1HG2  THR  28          1HG2      THR  28  -4.786  10.013   3.755
  201   2HG2  THR  28          2HG2      THR  28  -4.384  11.418   2.739
  202   3HG2  THR  28          3HG2      THR  28  -3.738   9.811   2.331
  203    H    HIS  29           H        HIS  29  -2.290   8.940   6.627
  204    HA   HIS  29           HA       HIS  29  -5.000   7.944   7.049
  205   1HB   HIS  29          1HB       HIS  29  -2.349   6.483   7.205
  206   2HB   HIS  29          2HB       HIS  29  -3.937   5.759   7.369
  207    HD1  HIS  29           HD1      HIS  29  -1.698   7.411   4.779
  208    HD2  HIS  29           HD2      HIS  29  -5.229   5.154   4.976
  209    HE1  HIS  29           HE1      HIS  29  -2.271   6.768   2.377
  210    H    LYS  30           H        LYS  30  -3.617  10.133   8.624
  211    HA   LYS  30           HA       LYS  30  -2.683   9.180  11.045
  212   1HB   LYS  30          2HB       LYS  30  -3.077  11.403  11.874
  213   2HB   LYS  30          1HB       LYS  30  -2.494  11.509  10.225
  214   1HG   LYS  30          1HG       LYS  30  -4.791  11.850   9.385
  215   2HG   LYS  30          2HG       LYS  30  -5.450  11.601  10.990
  216   1HD   LYS  30          1HD       LYS  30  -3.502  13.621  11.343
  217   2HD   LYS  30          2HD       LYS  30  -4.274  14.026   9.822
  218   1HE   LYS  30          2HE       LYS  30  -5.720  15.093  11.311
  219   2HE   LYS  30          1HE       LYS  30  -6.525  13.544  11.161
  220   1HZ   LYS  30          1HZ       LYS  30  -5.232  12.844  13.135
  221   2HZ   LYS  30          2HZ       LYS  30  -4.721  14.385  13.316
  222   3HZ   LYS  30          3HZ       LYS  30  -6.311  14.033  13.434
  223    H    ASP  31           H        ASP  31  -5.888   9.115   9.659
  224    HA   ASP  31           HA       ASP  31  -7.160   8.901  12.208
  225   1HB   ASP  31          1HB       ASP  31  -8.539   9.896  10.565
  226   2HB   ASP  31          2HB       ASP  31  -8.023   8.785   9.313
  227    H    VAL  32           H        VAL  32  -5.175   6.907  10.420
  228    HA   VAL  32           HA       VAL  32  -6.672   4.485  11.154
  229    HB   VAL  32           HB       VAL  32  -4.562   4.832   9.016
  230   1HG1  VAL  32          1HG1      VAL  32  -6.394   2.512   9.709
  231   2HG1  VAL  32          2HG1      VAL  32  -5.366   2.601   8.258
  232   3HG1  VAL  32          3HG1      VAL  32  -4.622   2.567   9.875
  233   1HG2  VAL  32          1HG2      VAL  32  -7.002   5.926   8.817
  234   2HG2  VAL  32          2HG2      VAL  32  -6.163   5.189   7.431
  235   3HG2  VAL  32          3HG2      VAL  32  -7.405   4.268   8.313
  236    H    LYS  33           H        LYS  33  -5.727   3.062  12.571
  237    HA   LYS  33           HA       LYS  33  -3.653   3.929  14.179
  238   1HB   LYS  33          1HB       LYS  33  -4.712   1.128  13.701
  239   2HB   LYS  33          2HB       LYS  33  -3.643   1.579  15.014
  240   1HG   LYS  33          1HG       LYS  33  -6.200   3.146  14.603
  241   2HG   LYS  33          2HG       LYS  33  -6.286   1.569  15.361
  242   1HD   LYS  33          1HD       LYS  33  -4.247   2.566  16.823
  243   2HD   LYS  33          2HD       LYS  33  -4.978   4.091  16.365
  244   1HE   LYS  33          1HE       LYS  33  -7.027   3.595  17.463
  245   2HE   LYS  33          2HE       LYS  33  -6.728   1.868  17.456
  246   1HZ   LYS  33          1HZ       LYS  33  -4.655   2.860  18.856
  247   2HZ   LYS  33          2HZ       LYS  33  -5.885   3.821  19.333
  248   3HZ   LYS  33          3HZ       LYS  33  -6.001   2.201  19.503
  249    H    CYS  34           H        CYS  34  -1.486   2.841  14.498
  250    HA   CYS  34           HA       CYS  34  -0.110   2.925  12.014
  251   1HB   CYS  34          1HB       CYS  34   1.041   2.053  14.661
  252   2HB   CYS  34          2HB       CYS  34   1.883   2.736  13.284
  253    H    ASP  35           H        ASP  35  -1.042   0.433  14.462
  254    HA   ASP  35           HA       ASP  35   0.329  -1.660  13.280
  255   1HB   ASP  35          1HB       ASP  35  -1.319  -3.101  14.559
  256   2HB   ASP  35          2HB       ASP  35  -0.514  -1.886  15.533
  257    H    ASP  36           H        ASP  36  -2.321   0.200  12.176
  258    HA   ASP  36           HA       ASP  36  -3.957  -1.735  11.064
  259   1HB   ASP  36          1HB       ASP  36  -4.193   0.899  11.339
  260   2HB   ASP  36          2HB       ASP  36  -3.472   0.951   9.743
  261    H    CYS  37           H        CYS  37  -0.754  -0.616  10.285
  262    HA   CYS  37           HA       CYS  37  -0.915  -2.014   7.720
  263   1HB   CYS  37          1HB       CYS  37   0.478   0.625   8.262
  264   2HB   CYS  37          2HB       CYS  37   0.796  -0.363   6.850
  265    H    HIS  38           H        HIS  38   1.185  -0.652  10.354
  266    HA   HIS  38           HA       HIS  38   3.309  -2.440   9.741
  267   1HB   HIS  38          1HB       HIS  38   2.825  -0.653  12.141
  268   2HB   HIS  38          2HB       HIS  38   4.315  -1.515  11.814
  269    HD1  HIS  38           HD1      HIS  38   5.601  -0.786   9.521
  270    HD2  HIS  38           HD2      HIS  38   2.608   1.805  10.908
  271    HE1  HIS  38           HE1      HIS  38   5.984   1.445   8.342
  272    H    HIS  39           H        HIS  39   1.386  -4.211   9.799
  273    HA   HIS  39           HA       HIS  39   0.475  -5.119  12.240
  274   1HB   HIS  39          2HB       HIS  39  -0.167  -7.088  11.101
  275   2HB   HIS  39          1HB       HIS  39  -0.323  -5.773   9.953
  276    HD1  HIS  39           HD1      HIS  39   1.525  -8.956  10.575
  277    HD2  HIS  39           HD2      HIS  39   1.628  -5.776   7.841
  278    HE1  HIS  39           HE1      HIS  39   2.968  -9.739   8.622
  279    H    GLN  40           H        GLN  40   3.305  -6.333  10.300
  280    HA   GLN  40           HA       GLN  40   4.338  -7.365  12.824
  281   1HB   GLN  40          1HB       GLN  40   3.813  -9.006  10.924
  282   2HB   GLN  40          2HB       GLN  40   5.130  -8.275  10.028
  283   1HG   GLN  40          1HG       GLN  40   6.588  -8.747  12.144
  284   2HG   GLN  40          2HG       GLN  40   5.280  -9.792  12.660
  285   2HE2  GLN  40          2HE2      GLN  40   6.464 -11.651  12.519
  286   1HE2  GLN  40          1HE2      GLN  40   6.952 -12.381  11.025
  287    HA   PRO  41           HA       PRO  41   7.539  -4.344  12.208
  288   1HB   PRO  41          1HB       PRO  41   8.670  -4.478  14.629
  289   2HB   PRO  41          2HB       PRO  41   6.953  -3.976  14.484
  290   1HG   PRO  41          1HG       PRO  41   7.694  -6.956  15.449
  291   2HG   PRO  41          2HG       PRO  41   6.728  -5.481  15.776
  292   1HD   PRO  41          1HD       PRO  41   6.142  -7.737  13.982
  293   2HD   PRO  41          2HD       PRO  41   5.118  -6.314  14.341
  294    H    GLY  42           H        GLY  42   9.315  -4.794  10.908
  295   1HA   GLY  42          2HA       GLY  42  11.084  -5.896  10.059
  296   2HA   GLY  42          1HA       GLY  42  10.500  -7.358  10.827
  297    H    ASP  43           H        ASP  43  12.456  -4.390  11.294
  298    HA   ASP  43           HA       ASP  43  14.100  -5.868  13.108
  299   1HB   ASP  43          1HB       ASP  43  15.534  -3.797  13.021
  300   2HB   ASP  43          2HB       ASP  43  15.214  -4.493  11.445
  301    H    LYS  44           H        LYS  44  11.763  -3.153  13.049
  302    HA   LYS  44           HA       LYS  44  11.630  -3.249  15.940
  303   1HB   LYS  44          1HB       LYS  44  11.795  -0.758  16.105
  304   2HB   LYS  44          2HB       LYS  44  13.300  -1.566  15.718
  305   1HG   LYS  44          1HG       LYS  44  12.686  -1.124  13.218
  306   2HG   LYS  44          2HG       LYS  44  11.481  -0.013  13.838
  307   1HD   LYS  44          1HD       LYS  44  14.429   0.140  14.612
  308   2HD   LYS  44          2HD       LYS  44  13.754   1.024  13.258
  309   1HE   LYS  44          1HE       LYS  44  12.125   1.388  15.678
  310   2HE   LYS  44          2HE       LYS  44  13.792   1.848  15.963
  311   1HZ   LYS  44          1HZ       LYS  44  12.397   2.757  13.562
  312   2HZ   LYS  44          2HZ       LYS  44  12.223   3.553  14.978
  313   3HZ   LYS  44          3HZ       LYS  44  13.700   3.415  14.295
  314    H    GLN  45           H        GLN  45   9.755  -1.602  16.624
  315    HA   GLN  45           HA       GLN  45   7.449  -2.553  15.786
  316   1HB   GLN  45          1HB       GLN  45   7.606  -0.983  17.640
  317   2HB   GLN  45          2HB       GLN  45   8.073   0.324  16.570
  318   1HG   GLN  45          1HG       GLN  45   5.878   0.856  16.371
  319   2HG   GLN  45          2HG       GLN  45   5.652  -0.630  15.471
  320   2HE2  GLN  45          2HE2      GLN  45   3.499  -0.022  16.623
  321   1HE2  GLN  45          1HE2      GLN  45   3.180  -0.854  18.108
  322    H    TYR  46           H        TYR  46   9.455  -0.226  14.098
  323    HA   TYR  46           HA       TYR  46   7.541  -0.280  11.814
  324   1HB   TYR  46          2HB       TYR  46   9.324   2.036  12.626
  325   2HB   TYR  46          1HB       TYR  46   8.133   2.011  11.315
  326    HD1  TYR  46           HD1      TYR  46   5.677   1.806  11.889
  327    HD2  TYR  46           HD2      TYR  46   8.698   2.577  14.844
  328    HE1  TYR  46           HE1      TYR  46   3.937   2.627  13.453
  329    HE2  TYR  46           HE2      TYR  46   6.957   3.398  16.409
  330    HH   TYR  46           HH       TYR  46   3.547   3.041  15.813
  331    H    ALA  47           H        ALA  47   8.439  -1.278  10.036
  332    HA   ALA  47           HA       ALA  47  11.258  -0.791   9.527
  333   1HB   ALA  47          1HB       ALA  47  11.019  -2.886  10.959
  334   2HB   ALA  47          3HB       ALA  47  10.134  -3.614   9.597
  335   3HB   ALA  47          2HB       ALA  47  11.830  -3.115   9.391
  336    H    GLY  48           H        GLY  48  11.679  -2.305   7.322
  337   1HA   GLY  48          2HA       GLY  48  11.336  -2.080   5.089
  338   2HA   GLY  48          1HA       GLY  48   9.936  -1.071   5.395
  339    H    CYS  49           H        CYS  49   8.629  -2.166   3.827
  340    HA   CYS  49           HA       CYS  49   7.375  -4.504   4.891
  341   1HB   CYS  49          2HB       CYS  49   6.839  -3.183   2.230
  342   2HB   CYS  49          1HB       CYS  49   5.782  -4.254   3.128
  343    H    THR  50           H        THR  50   9.759  -3.603   2.407
  344    HA   THR  50           HA       THR  50   9.692  -6.269   1.237
  345    HB   THR  50           HB       THR  50  11.468  -5.135  -0.262
  346    HG1  THR  50           HG1      THR  50  11.887  -3.529   1.533
  347   1HG2  THR  50          1HG2      THR  50   8.890  -5.097  -0.715
  348   2HG2  THR  50          2HG2      THR  50   8.938  -3.446  -0.051
  349   3HG2  THR  50          3HG2      THR  50   9.875  -3.845  -1.511
  350    H    THR  51           H        THR  51  10.511  -5.711   4.116
  351    HA   THR  51           HA       THR  51  13.330  -6.100   4.198
  352    HB   THR  51           HB       THR  51  11.203  -6.649   6.330
  353    HG1  THR  51           HG1      THR  51  12.724  -4.252   5.583
  354   1HG2  THR  51          1HG2      THR  51  13.791  -7.183   6.653
  355   2HG2  THR  51          2HG2      THR  51  13.945  -5.411   6.732
  356   3HG2  THR  51          3HG2      THR  51  12.924  -6.270   7.911
  357    H    ASP  52           H        ASP  52  14.469  -7.999   4.987
  358    HA   ASP  52           HA       ASP  52  13.898 -10.200   3.491
  359   1HB   ASP  52          1HB       ASP  52  15.671  -9.529   5.780
  360   2HB   ASP  52          2HB       ASP  52  15.297 -11.238   5.666
  361    H    GLY  53           H        GLY  53  13.147 -12.404   4.184
  362   1HA   GLY  53          2HA       GLY  53  12.119 -13.053   6.672
  363   2HA   GLY  53          1HA       GLY  53  11.659 -13.785   5.148
  364    H    CYS  54           H        CYS  54  10.787 -11.006   4.105
  365    HA   CYS  54           HA       CYS  54   8.176 -11.098   5.402
  366   1HB   CYS  54          1HB       CYS  54   9.552  -8.481   4.737
  367   2HB   CYS  54          2HB       CYS  54   8.013  -8.702   5.545
  368    H    HIS  55           H        HIS  55   8.061  -8.445   3.487
  369    HA   HIS  55           HA       HIS  55   7.193 -10.021   1.207
  370   1HB   HIS  55          2HB       HIS  55   6.785  -7.061   1.668
  371   2HB   HIS  55          1HB       HIS  55   5.924  -8.106   0.555
  372    HD1  HIS  55           HD1      HIS  55   4.339  -9.996   1.730
  373    HD2  HIS  55           HD2      HIS  55   5.652  -6.848   4.172
  374    HE1  HIS  55           HE1      HIS  55   2.816  -9.996   3.777
  375    H    ASN  56           H        ASN  56   9.897 -10.169   1.360
  376    HA   ASN  56           HA       ASN  56  11.005  -7.987  -0.135
  377   1HB   ASN  56          1HB       ASN  56  12.278  -9.168   1.715
  378   2HB   ASN  56          2HB       ASN  56  12.275 -10.632   0.751
  379   2HD2  ASN  56          2HD2      ASN  56  14.531  -9.159   1.711
  380   1HD2  ASN  56          1HD2      ASN  56  15.464  -8.633   0.350
  381    H    ILE  57           H        ILE  57   9.020  -9.067  -1.692
  382    HA   ILE  57           HA       ILE  57  10.468 -10.801  -3.571
  383    HB   ILE  57           HB       ILE  57   7.481 -10.762  -3.340
  384   1HG1  ILE  57          1HG1      ILE  57   8.536 -11.196  -1.067
  385   2HG1  ILE  57          2HG1      ILE  57   7.436 -12.417  -1.675
  386   1HG2  ILE  57          1HG2      ILE  57   9.566 -12.416  -4.659
  387   2HG2  ILE  57          2HG2      ILE  57   8.152 -13.274  -4.001
  388   3HG2  ILE  57          3HG2      ILE  57   7.928 -11.975  -5.198
  389   1HD1  ILE  57          1HD1      ILE  57  10.479 -12.537  -1.898
  390   2HD1  ILE  57          2HD1      ILE  57   9.491 -13.441  -0.726
  391   3HD1  ILE  57          3HD1      ILE  57   9.347 -13.787  -2.466
  392    H    LEU  58           H        LEU  58  10.401 -10.244  -5.764
  393    HA   LEU  58           HA       LEU  58   9.076  -7.679  -6.312
  394   1HB   LEU  58          2HB       LEU  58  11.737  -8.647  -7.366
  395   2HB   LEU  58          1HB       LEU  58  10.930  -7.162  -7.828
  396    HG   LEU  58           HG       LEU  58  12.159  -7.859  -5.158
  397   1HD1  LEU  58          1HD1      LEU  58  13.111  -6.526  -7.461
  398   2HD1  LEU  58          2HD1      LEU  58  12.857  -5.282  -6.214
  399   3HD1  LEU  58          3HD1      LEU  58  13.898  -6.685  -5.872
  400   1HD2  LEU  58          1HD2      LEU  58  10.047  -5.853  -5.795
  401   2HD2  LEU  58          2HD2      LEU  58  10.347  -6.777  -4.303
  402   3HD2  LEU  58          3HD2      LEU  58  11.358  -5.365  -4.694
  403    H    ASP  59           H        ASP  59   7.191  -8.587  -7.182
  404    HA   ASP  59           HA       ASP  59   7.453  -9.407  -9.852
  405   1HB   ASP  59          1HB       ASP  59   7.834 -11.629  -9.245
  406   2HB   ASP  59          2HB       ASP  59   6.983 -11.471  -7.721
  407    H    LYS  60           H        LYS  60   5.118  -9.930 -10.741
  408    HA   LYS  60           HA       LYS  60   3.321  -8.041  -9.559
  409   1HB   LYS  60          1HB       LYS  60   1.946  -8.467 -11.506
  410   2HB   LYS  60          2HB       LYS  60   3.611  -8.224 -11.992
  411   1HG   LYS  60          1HG       LYS  60   3.092 -11.055 -11.422
  412   2HG   LYS  60          2HG       LYS  60   1.966 -10.443 -12.617
  413   1HD   LYS  60          1HD       LYS  60   3.949  -9.486 -13.898
  414   2HD   LYS  60          2HD       LYS  60   5.013 -10.280 -12.753
  415   1HE   LYS  60          1HE       LYS  60   4.234 -12.482 -13.411
  416   2HE   LYS  60          2HE       LYS  60   2.891 -11.813 -14.316
  417   1HZ   LYS  60          1HZ       LYS  60   4.830 -10.622 -15.556
  418   2HZ   LYS  60          2HZ       LYS  60   5.696 -11.900 -15.021
  419   3HZ   LYS  60          3HZ       LYS  60   4.380 -12.140 -15.959
  420    H    ALA  61           H        ALA  61   3.643  -9.620  -7.494
  421    HA   ALA  61           HA       ALA  61   2.464 -10.757  -5.994
  422   1HB   ALA  61          1HB       ALA  61   0.476  -9.990  -7.930
  423   2HB   ALA  61          3HB       ALA  61   0.130 -11.646  -7.377
  424   3HB   ALA  61          2HB       ALA  61   0.270 -10.324  -6.193
  425    H    ASP  62           H        ASP  62   4.295 -12.267  -6.320
  426    HA   ASP  62           HA       ASP  62   4.078 -14.359  -8.145
  427   1HB   ASP  62          1HB       ASP  62   6.159 -13.498  -6.882
  428   2HB   ASP  62          2HB       ASP  62   5.586 -14.402  -5.494
  429    H    LYS  63           H        LYS  63   4.284 -16.793  -7.049
  430    HA   LYS  63           HA       LYS  63   1.758 -17.172  -5.733
  431   1HB   LYS  63          1HB       LYS  63   2.523 -18.615  -7.595
  432   2HB   LYS  63          2HB       LYS  63   3.859 -19.176  -6.610
  433   1HG   LYS  63          1HG       LYS  63   2.480 -20.786  -5.802
  434   2HG   LYS  63          2HG       LYS  63   1.614 -19.527  -4.945
  435   1HD   LYS  63          1HD       LYS  63   0.213 -19.164  -7.048
  436   2HD   LYS  63          2HD       LYS  63   0.999 -20.564  -7.751
  437   1HE   LYS  63          2HE       LYS  63  -1.053 -21.379  -6.800
  438   2HE   LYS  63          1HE       LYS  63   0.215 -21.911  -5.714
  439   1HZ   LYS  63          1HZ       LYS  63  -1.050 -19.344  -5.211
  440   2HZ   LYS  63          2HZ       LYS  63  -1.863 -20.704  -4.816
  441   3HZ   LYS  63          3HZ       LYS  63  -0.403 -20.404  -4.150
  442    H    SER  64           H        SER  64   2.432 -15.856  -3.798
  443    HA   SER  64           HA       SER  64   3.022 -17.577  -1.715
  444   1HB   SER  64          1HB       SER  64   5.363 -16.501  -3.013
  445   2HB   SER  64          2HB       SER  64   5.236 -15.759  -1.431
  446    HG   SER  64           HG       SER  64   5.770 -17.614  -0.500
  447    H    VAL  65           H        VAL  65   2.941 -16.415   0.407
  448    HA   VAL  65           HA       VAL  65   1.411 -13.971   0.111
  449    HB   VAL  65           HB       VAL  65   0.490 -15.688   1.494
  450   1HG1  VAL  65          1HG1      VAL  65   3.256 -15.896   2.505
  451   2HG1  VAL  65          2HG1      VAL  65   1.996 -16.006   3.757
  452   3HG1  VAL  65          3HG1      VAL  65   1.981 -17.131   2.378
  453   1HG2  VAL  65          1HG2      VAL  65   0.707 -13.102   2.253
  454   2HG2  VAL  65          2HG2      VAL  65  -0.209 -14.323   3.167
  455   3HG2  VAL  65          3HG2      VAL  65   1.446 -13.897   3.663
  456    H    ASN  66           H        ASN  66   4.126 -13.703  -0.677
  457    HA   ASN  66           HA       ASN  66   5.023 -11.967   1.477
  458   1HB   ASN  66          1HB       ASN  66   6.823 -13.694  -0.303
  459   2HB   ASN  66          2HB       ASN  66   7.388 -12.577   0.923
  460   2HD2  ASN  66          2HD2      ASN  66   6.440 -12.907   3.141
  461   1HD2  ASN  66          1HD2      ASN  66   6.310 -14.531   3.729
  462    H    SER  67           H        SER  67   3.637 -12.031  -1.434
  463    HA   SER  67           HA       SER  67   5.478 -10.613  -3.035
  464   1HB   SER  67          1HB       SER  67   3.064 -10.109  -4.210
  465   2HB   SER  67          2HB       SER  67   3.978 -11.583  -4.457
  466    HG   SER  67           HG       SER  67   1.884 -12.201  -3.879
  467    H    TRP  68           H        TRP  68   5.562  -8.357  -3.488
  468    HA   TRP  68           HA       TRP  68   4.270  -6.717  -1.452
  469   1HB   TRP  68          1HB       TRP  68   6.562  -6.317  -1.507
  470   2HB   TRP  68          2HB       TRP  68   6.642  -6.372  -3.257
  471    HD1  TRP  68           HD1      TRP  68   6.771  -4.017  -4.379
  472    HE1  TRP  68           HE1      TRP  68   6.238  -1.505  -3.771
  473    HE3  TRP  68           HE3      TRP  68   4.705  -5.004   0.161
  474    HZ2  TRP  68           HZ2      TRP  68   5.040  -0.241  -1.510
  475    HZ3  TRP  68           HZ3      TRP  68   3.878  -3.075   1.505
  476    HH2  TRP  68           HH2      TRP  68   4.020  -0.758   0.737
  477    H    TYR  69           H        TYR  69   3.187  -8.050  -4.047
  478    HA   TYR  69           HA       TYR  69   2.000  -5.568  -5.199
  479   1HB   TYR  69          1HB       TYR  69   3.473  -6.650  -6.802
  480   2HB   TYR  69          2HB       TYR  69   2.684  -8.212  -6.524
  481    HD1  TYR  69           HD1      TYR  69   0.090  -8.270  -6.986
  482    HD2  TYR  69           HD2      TYR  69   2.784  -5.333  -8.587
  483    HE1  TYR  69           HE1      TYR  69  -1.527  -7.777  -8.801
  484    HE2  TYR  69           HE2      TYR  69   1.168  -4.839 -10.402
  485    HH   TYR  69           HH       TYR  69  -0.853  -5.343 -11.334
  486    H    LYS  70           H        LYS  70   1.480  -8.572  -3.502
  487    HA   LYS  70           HA       LYS  70  -1.302  -8.651  -4.364
  488   1HB   LYS  70          1HB       LYS  70   0.163 -10.721  -4.254
  489   2HB   LYS  70          2HB       LYS  70   0.144 -10.558  -2.509
  490   1HG   LYS  70          1HG       LYS  70  -2.501 -10.398  -2.860
  491   2HG   LYS  70          2HG       LYS  70  -2.146 -11.195  -4.379
  492   1HD   LYS  70          1HD       LYS  70  -1.177 -12.238  -1.679
  493   2HD   LYS  70          2HD       LYS  70  -2.675 -12.757  -2.426
  494   1HE   LYS  70          1HE       LYS  70   0.050 -12.975  -3.789
  495   2HE   LYS  70          2HE       LYS  70  -0.679 -14.278  -2.872
  496   1HZ   LYS  70          1HZ       LYS  70  -2.014 -12.977  -5.139
  497   2HZ   LYS  70          2HZ       LYS  70  -1.117 -14.334  -5.281
  498   3HZ   LYS  70          3HZ       LYS  70  -2.477 -14.344  -4.376
  499    H    VAL  71           H        VAL  71   0.769  -8.163  -1.451
  500    HA   VAL  71           HA       VAL  71  -1.379  -7.832   0.327
  501    HB   VAL  71           HB       VAL  71   0.315  -6.887   1.807
  502   1HG1  VAL  71          1HG1      VAL  71   1.064  -9.353   0.223
  503   2HG1  VAL  71          2HG1      VAL  71   1.985  -8.824   1.651
  504   3HG1  VAL  71          3HG1      VAL  71   0.264  -9.248   1.809
  505   1HG2  VAL  71          1HG2      VAL  71   2.035  -6.856  -0.688
  506   2HG2  VAL  71          2HG2      VAL  71   1.602  -5.489   0.366
  507   3HG2  VAL  71          3HG2      VAL  71   2.700  -6.758   0.960
  508    H    VAL  72           H        VAL  72  -0.436  -5.989  -2.353
  509    HA   VAL  72           HA       VAL  72  -1.417  -3.512  -1.129
  510    HB   VAL  72           HB       VAL  72   0.185  -4.057  -3.634
  511   1HG1  VAL  72          1HG1      VAL  72  -1.519  -1.822  -2.994
  512   2HG1  VAL  72          2HG1      VAL  72   0.180  -1.290  -3.031
  513   3HG1  VAL  72          3HG1      VAL  72  -0.529  -2.106  -4.446
  514   1HG2  VAL  72          1HG2      VAL  72   1.124  -4.018  -1.114
  515   2HG2  VAL  72          2HG2      VAL  72   2.052  -3.406  -2.505
  516   3HG2  VAL  72          3HG2      VAL  72   1.163  -2.272  -1.460
  517    H    HIS  73           H        HIS  73  -1.692  -5.555  -4.120
  518    HA   HIS  73           HA       HIS  73  -4.251  -4.277  -4.633
  519   1HB   HIS  73          2HB       HIS  73  -2.729  -6.251  -6.353
  520   2HB   HIS  73          1HB       HIS  73  -4.112  -5.285  -6.828
  521    HD1  HIS  73           HD1      HIS  73  -0.409  -5.029  -6.136
  522    HD2  HIS  73           HD2      HIS  73  -3.552  -2.603  -7.490
  523    HE1  HIS  73           HE1      HIS  73   0.671  -2.911  -7.062
  524    H    ASP  74           H        ASP  74  -3.854  -6.084  -2.316
  525    HA   ASP  74           HA       ASP  74  -4.999  -8.565  -3.074
  526   1HB   ASP  74          1HB       ASP  74  -3.814  -7.348  -0.711
  527   2HB   ASP  74          2HB       ASP  74  -5.337  -8.092  -0.266
  528    H    ALA  75           H        ALA  75  -7.169  -8.563  -3.718
  529    HA   ALA  75           HA       ALA  75  -8.973  -6.628  -2.517
  530   1HB   ALA  75          1HB       ALA  75  -9.233  -8.618  -4.806
  531   2HB   ALA  75          3HB       ALA  75 -10.538  -7.532  -4.271
  532   3HB   ALA  75          2HB       ALA  75  -9.030  -6.854  -4.930
  533    H    LYS  76           H        LYS  76  -7.722  -9.561  -1.622
  534    HA   LYS  76           HA       LYS  76 -10.280 -10.617  -0.682
  535   1HB   LYS  76          1HB       LYS  76  -8.572 -12.037  -1.953
  536   2HB   LYS  76          2HB       LYS  76  -7.573 -11.954  -0.517
  537   1HG   LYS  76          1HG       LYS  76  -9.753 -12.736   0.753
  538   2HG   LYS  76          2HG       LYS  76 -10.311 -13.223  -0.835
  539   1HD   LYS  76          1HD       LYS  76  -7.528 -14.073  -0.142
  540   2HD   LYS  76          2HD       LYS  76  -8.796 -14.815   0.812
  541   1HE   LYS  76          1HE       LYS  76  -9.079 -14.696  -2.205
  542   2HE   LYS  76          2HE       LYS  76  -8.049 -15.917  -1.484
  543   1HZ   LYS  76          1HZ       LYS  76 -10.662 -15.613  -0.309
  544   2HZ   LYS  76          2HZ       LYS  76 -10.625 -16.241  -1.816
  545   3HZ   LYS  76          3HZ       LYS  76  -9.805 -16.971  -0.608
  546    H    GLY  77           H        GLY  77 -10.618 -11.095   1.566
  547   1HA   GLY  77          2HA       GLY  77 -10.583 -10.537   3.744
  548   2HA   GLY  77          1HA       GLY  77  -9.689  -9.093   3.311
  549    H    GLY  78           H        GLY  78  -9.173 -10.519   5.713
  550   1HA   GLY  78          2HA       GLY  78  -6.385 -11.280   5.234
  551   2HA   GLY  78          1HA       GLY  78  -7.431 -12.455   6.006
  552    H    ALA  79           H        ALA  79  -5.291 -11.650   7.478
  553    HA   ALA  79           HA       ALA  79  -6.238 -10.923   9.871
  554   1HB   ALA  79          1HB       ALA  79  -3.793  -9.784  10.012
  555   2HB   ALA  79          3HB       ALA  79  -4.034 -11.547   9.971
  556   3HB   ALA  79          2HB       ALA  79  -3.605 -10.672   8.481
  557    H    LYS  80           H        LYS  80  -5.197  -8.679   7.235
  558    HA   LYS  80           HA       LYS  80  -6.920  -6.662   8.384
  559   1HB   LYS  80          2HB       LYS  80  -5.291  -4.996   8.703
  560   2HB   LYS  80          1HB       LYS  80  -4.649  -6.423   9.491
  561   1HG   LYS  80          1HG       LYS  80  -2.838  -6.463   8.120
  562   2HG   LYS  80          2HG       LYS  80  -3.844  -6.402   6.687
  563   1HD   LYS  80          1HD       LYS  80  -4.093  -3.890   7.059
  564   2HD   LYS  80          2HD       LYS  80  -2.926  -4.018   8.360
  565   1HE   LYS  80          1HE       LYS  80  -1.169  -4.723   6.855
  566   2HE   LYS  80          2HE       LYS  80  -2.302  -5.028   5.554
  567   1HZ   LYS  80          1HZ       LYS  80  -2.416  -2.361   6.546
  568   2HZ   LYS  80          2HZ       LYS  80  -0.958  -2.746   5.920
  569   3HZ   LYS  80          3HZ       LYS  80  -2.304  -2.894   5.006
  570    HA   PRO  81           HA       PRO  81  -7.920  -5.860   4.232
  571   1HB   PRO  81          1HB       PRO  81  -8.107  -3.060   4.359
  572   2HB   PRO  81          2HB       PRO  81  -9.363  -4.212   4.917
  573   1HG   PRO  81          2HG       PRO  81  -7.242  -2.958   6.182
  574   2HG   PRO  81          1HG       PRO  81  -8.771  -2.864   7.116
  575   1HD   PRO  81          1HD       PRO  81  -7.142  -4.633   8.018
  576   2HD   PRO  81          2HD       PRO  81  -8.667  -5.354   7.421
  577    H    THR  82           H        THR  82  -7.201  -3.903   2.466
  578    HA   THR  82           HA       THR  82  -4.287  -3.643   2.737
  579    HB   THR  82           HB       THR  82  -4.156  -4.318   0.299
  580    HG1  THR  82           HG1      THR  82  -6.905  -5.150   0.880
  581   1HG2  THR  82          1HG2      THR  82  -4.729  -6.069   2.533
  582   2HG2  THR  82          2HG2      THR  82  -5.585  -6.690   1.102
  583   3HG2  THR  82          3HG2      THR  82  -3.822  -6.448   1.049
  584    H    CYS  83           H        CYS  83  -3.876  -2.397   0.224
  585    HA   CYS  83           HA       CYS  83  -4.792   0.208   0.938
  586   1HB   CYS  83          2HB       CYS  83  -3.359  -0.448  -1.618
  587   2HB   CYS  83          1HB       CYS  83  -3.316   1.027  -0.673
  588    H    ILE  84           H        ILE  84  -6.221  -2.412  -0.584
  589    HA   ILE  84           HA       ILE  84  -7.747  -0.684  -2.405
  590    HB   ILE  84           HB       ILE  84  -6.841  -3.522  -2.559
  591   1HG1  ILE  84          1HG1      ILE  84  -5.715  -1.562  -3.719
  592   2HG1  ILE  84          2HG1      ILE  84  -6.130  -2.939  -4.721
  593   1HG2  ILE  84          1HG2      ILE  84  -9.298  -3.662  -2.661
  594   2HG2  ILE  84          2HG2      ILE  84  -9.300  -2.480  -3.992
  595   3HG2  ILE  84          3HG2      ILE  84  -8.529  -4.069  -4.214
  596   1HD1  ILE  84          1HD1      ILE  84  -8.040  -0.593  -4.424
  597   2HD1  ILE  84          2HD1      ILE  84  -6.725  -0.578  -5.623
  598   3HD1  ILE  84          3HD1      ILE  84  -7.992  -1.826  -5.708
  599    H    SER  85           H        SER  85  -7.903  -3.318   0.057
  600    HA   SER  85           HA       SER  85 -10.600  -3.635   0.110
  601   1HB   SER  85          2HB       SER  85  -9.100  -3.611   2.722
  602   2HB   SER  85          1HB       SER  85 -10.270  -4.772   2.129
  603    HG   SER  85           HG       SER  85  -8.594  -5.957   1.543
  604    H    CYS  86           H        CYS  86  -8.627  -1.484   2.296
  605    HA   CYS  86           HA       CYS  86 -10.826  -0.256   3.463
  606   1HB   CYS  86          1HB       CYS  86  -8.347  -0.271   4.200
  607   2HB   CYS  86          2HB       CYS  86  -8.145   1.095   3.122
  608    H    HIS  87           H        HIS  87  -8.557   0.929   0.865
  609    HA   HIS  87           HA       HIS  87  -9.799   3.255   0.263
  610   1HB   HIS  87          1HB       HIS  87  -8.258   1.274  -1.393
  611   2HB   HIS  87          2HB       HIS  87  -8.946   2.697  -2.151
  612    HD1  HIS  87           HD1      HIS  87  -6.601   3.713  -2.632
  613    HD2  HIS  87           HD2      HIS  87  -7.389   3.067   1.438
  614    HE1  HIS  87           HE1      HIS  87  -4.778   4.951  -1.345
  615    H    LYS  88           H        LYS  88 -10.768  -0.072  -0.614
  616    HA   LYS  88           HA       LYS  88 -12.673   0.639  -2.540
  617   1HB   LYS  88          1HB       LYS  88 -12.007  -1.773  -0.922
  618   2HB   LYS  88          2HB       LYS  88 -13.614  -1.706  -1.618
  619   1HG   LYS  88          1HG       LYS  88 -12.642  -1.288  -3.872
  620   2HG   LYS  88          2HG       LYS  88 -11.027  -1.289  -3.191
  621   1HD   LYS  88          2HD       LYS  88 -11.122  -3.504  -3.866
  622   2HD   LYS  88          1HD       LYS  88 -11.789  -3.691  -2.256
  623   1HE   LYS  88          1HE       LYS  88 -14.048  -3.026  -3.754
  624   2HE   LYS  88          2HE       LYS  88 -13.120  -3.983  -4.891
  625   1HZ   LYS  88          1HZ       LYS  88 -13.802  -4.819  -2.157
  626   2HZ   LYS  88          2HZ       LYS  88 -14.540  -5.340  -3.517
  627   3HZ   LYS  88          3HZ       LYS  88 -12.974  -5.713  -3.243
  628    H    ASP  89           H        ASP  89 -12.920   0.045   1.025
  629    HA   ASP  89           HA       ASP  89 -15.620   0.361   1.222
  630   1HB   ASP  89          1HB       ASP  89 -13.677  -0.180   2.984
  631   2HB   ASP  89          2HB       ASP  89 -13.793   1.534   3.328
  632    H    LYS  90           H        LYS  90 -12.930   2.767   1.174
  633    HA   LYS  90           HA       LYS  90 -14.443   5.009   1.873
  634   1HB   LYS  90          1HB       LYS  90 -11.769   4.437   0.760
  635   2HB   LYS  90          2HB       LYS  90 -12.422   5.999   0.309
  636   1HG   LYS  90          2HG       LYS  90 -12.126   4.920   3.151
  637   2HG   LYS  90          1HG       LYS  90 -11.164   6.190   2.421
  638   1HD   LYS  90          1HD       LYS  90 -13.642   7.246   2.010
  639   2HD   LYS  90          2HD       LYS  90 -13.987   6.288   3.436
  640   1HE   LYS  90          1HE       LYS  90 -12.093   7.388   4.642
  641   2HE   LYS  90          2HE       LYS  90 -11.728   8.336   3.215
  642   1HZ   LYS  90          1HZ       LYS  90 -13.952   9.271   3.363
  643   2HZ   LYS  90          2HZ       LYS  90 -14.249   8.417   4.723
  644   3HZ   LYS  90          3HZ       LYS  90 -13.092   9.569   4.719
  645    H    ALA  91           H        ALA  91 -13.795   3.382  -1.266
  646    HA   ALA  91           HA       ALA  91 -15.433   5.385  -2.607
  647   1HB   ALA  91          1HB       ALA  91 -13.144   3.876  -3.294
  648   2HB   ALA  91          3HB       ALA  91 -14.089   4.950  -4.354
  649   3HB   ALA  91          2HB       ALA  91 -14.473   3.214  -4.277
  650    H    GLY  92           H        GLY  92 -16.432   3.330  -0.572
  651   1HA   GLY  92          2HA       GLY  92 -17.959   1.627  -0.436
  652   2HA   GLY  92          1HA       GLY  92 -17.990   1.487  -2.183
  653    H    ASP  93           H        ASP  93 -18.812   3.753  -3.270
  654    HA   ASP  93           HA       ASP  93 -21.456   3.867  -2.865
  655   1HB   ASP  93          1HB       ASP  93 -21.634   6.186  -1.696
  656   2HB   ASP  93          2HB       ASP  93 -21.380   4.777  -0.686
  657    H    ASP  94           H        ASP  94 -18.740   6.308  -2.963
  658    HA   ASP  94           HA       ASP  94 -19.981   7.654  -5.142
  659   1HB   ASP  94          1HB       ASP  94 -18.689   8.890  -3.432
  660   2HB   ASP  94          2HB       ASP  94 -17.251   7.963  -3.809
  661    H    LYS  95           H        LYS  95 -19.583   7.188  -7.320
  662    HA   LYS  95           HA       LYS  95 -17.821   5.045  -7.961
  663   1HB   LYS  95          1HB       LYS  95 -20.106   5.793  -9.028
  664   2HB   LYS  95          2HB       LYS  95 -19.096   6.839 -10.006
  665   1HG   LYS  95          1HG       LYS  95 -17.659   4.560 -10.274
  666   2HG   LYS  95          2HG       LYS  95 -19.218   3.832  -9.940
  667   1HD   LYS  95          1HD       LYS  95 -20.065   5.600 -11.774
  668   2HD   LYS  95          2HD       LYS  95 -18.387   5.553 -12.278
  669   1HE   LYS  95          1HE       LYS  95 -18.840   3.644 -13.417
  670   2HE   LYS  95          2HE       LYS  95 -19.085   2.835 -11.882
  671   1HZ   LYS  95          1HZ       LYS  95 -21.169   4.309 -13.339
  672   2HZ   LYS  95          2HZ       LYS  95 -21.004   2.684 -13.326
  673   3HZ   LYS  95          3HZ       LYS  95 -21.380   3.477 -11.949
  674    H    GLU  96           H        GLU  96 -17.804   8.627  -8.304
  675    HA   GLU  96           HA       GLU  96 -15.495   8.705  -9.856
  676   1HB   GLU  96          1HB       GLU  96 -17.108  10.586  -9.636
  677   2HB   GLU  96          2HB       GLU  96 -16.642  10.803  -7.961
  678   1HG   GLU  96          1HG       GLU  96 -15.377  12.427  -9.188
  679   2HG   GLU  96          2HG       GLU  96 -14.236  11.160  -8.781
  680    H    LEU  97           H        LEU  97 -16.072   8.250  -6.407
  681    HA   LEU  97           HA       LEU  97 -13.452   9.030  -5.596
  682   1HB   LEU  97          1HB       LEU  97 -15.622   9.025  -4.244
  683   2HB   LEU  97          2HB       LEU  97 -15.387   7.297  -4.074
  684    HG   LEU  97           HG       LEU  97 -14.575   8.410  -2.105
  685   1HD1  LEU  97          1HD1      LEU  97 -13.242   6.485  -3.352
  686   2HD1  LEU  97          2HD1      LEU  97 -11.986   7.744  -3.431
  687   3HD1  LEU  97          3HD1      LEU  97 -12.637   7.235  -1.855
  688   1HD2  LEU  97          1HD2      LEU  97 -13.496  10.320  -4.029
  689   2HD2  LEU  97          2HD2      LEU  97 -13.888  10.520  -2.304
  690   3HD2  LEU  97          3HD2      LEU  97 -12.311   9.849  -2.786
  691    H    LYS  98           H        LYS  98 -14.892   6.228  -7.086
  692    HA   LYS  98           HA       LYS  98 -12.825   4.450  -6.130
  693   1HB   LYS  98          1HB       LYS  98 -15.264   3.814  -6.508
  694   2HB   LYS  98          2HB       LYS  98 -14.937   3.901  -8.227
  695   1HG   LYS  98          1HG       LYS  98 -13.176   2.189  -8.034
  696   2HG   LYS  98          2HG       LYS  98 -13.324   2.178  -6.288
  697   1HD   LYS  98          2HD       LYS  98 -14.590   0.288  -6.999
  698   2HD   LYS  98          1HD       LYS  98 -15.797   1.505  -6.635
  699   1HE   LYS  98          2HE       LYS  98 -16.431   0.560  -8.756
  700   2HE   LYS  98          1HE       LYS  98 -15.776   2.145  -9.113
  701   1HZ   LYS  98          1HZ       LYS  98 -14.280  -0.377  -9.295
  702   2HZ   LYS  98          2HZ       LYS  98 -14.875   0.468 -10.560
  703   3HZ   LYS  98          3HZ       LYS  98 -13.682   1.102  -9.643
  704    H    LYS  99           H        LYS  99 -12.308   6.994  -7.789
  705    HA   LYS  99           HA       LYS  99 -10.678   5.619  -9.797
  706   1HB   LYS  99          1HB       LYS  99 -12.741   7.714 -10.230
  707   2HB   LYS  99          2HB       LYS  99 -11.229   7.933 -11.087
  708   1HG   LYS  99          2HG       LYS  99 -12.416   6.594 -12.600
  709   2HG   LYS  99          1HG       LYS  99 -11.499   5.384 -11.726
  710   1HD   LYS  99          1HD       LYS  99 -13.766   5.628 -10.136
  711   2HD   LYS  99          2HD       LYS  99 -14.427   5.892 -11.737
  712   1HE   LYS  99          1HE       LYS  99 -12.524   3.577 -11.308
  713   2HE   LYS  99          2HE       LYS  99 -14.182   3.421 -10.763
  714   1HZ   LYS  99          1HZ       LYS  99 -13.578   4.336 -13.473
  715   2HZ   LYS  99          2HZ       LYS  99 -13.644   2.744 -13.116
  716   3HZ   LYS  99          3HZ       LYS  99 -14.963   3.683 -12.907
  717    H    LYS 100           H        LYS 100  -9.769   6.200  -7.242
  718    HA   LYS 100           HA       LYS 100  -7.646   7.983  -7.864
  719   1HB   LYS 100          1HB       LYS 100  -8.288   9.366  -5.674
  720   2HB   LYS 100          2HB       LYS 100  -8.779   9.857  -7.282
  721   1HG   LYS 100          1HG       LYS 100 -10.953   8.601  -6.957
  722   2HG   LYS 100          2HG       LYS 100 -10.462   8.234  -5.316
  723   1HD   LYS 100          2HD       LYS 100 -11.880  10.185  -5.194
  724   2HD   LYS 100          1HD       LYS 100 -10.245  10.734  -4.890
  725   1HE   LYS 100          1HE       LYS 100 -10.033  11.429  -7.289
  726   2HE   LYS 100          2HE       LYS 100 -11.672  10.886  -7.589
  727   1HZ   LYS 100          1HZ       LYS 100 -11.053  12.873  -5.526
  728   2HZ   LYS 100          2HZ       LYS 100 -11.373  13.293  -7.072
  729   3HZ   LYS 100          3HZ       LYS 100 -12.509  12.528  -6.181
  730    H    LEU 101           H        LEU 101  -9.546   6.300  -5.287
  731    HA   LEU 101           HA       LEU 101  -7.064   5.681  -3.915
  732   1HB   LEU 101          1HB       LEU 101  -9.859   4.874  -3.134
  733   2HB   LEU 101          2HB       LEU 101  -8.427   4.935  -2.126
  734    HG   LEU 101           HG       LEU 101 -10.087   7.223  -3.174
  735   1HD1  LEU 101          1HD1      LEU 101 -10.582   5.984  -0.988
  736   2HD1  LEU 101          2HD1      LEU 101  -9.107   6.756  -0.360
  737   3HD1  LEU 101          3HD1      LEU 101 -10.465   7.759  -0.926
  738   1HD2  LEU 101          1HD2      LEU 101  -7.621   7.638  -3.571
  739   2HD2  LEU 101          2HD2      LEU 101  -8.462   8.823  -2.543
  740   3HD2  LEU 101          3HD2      LEU 101  -7.418   7.586  -1.803
  741    H    THR 102           H        THR 102  -9.558   4.208  -5.985
  742    HA   THR 102           HA       THR 102  -7.996   1.710  -5.893
  743    HB   THR 102           HB       THR 102 -10.099   0.509  -6.119
  744    HG1  THR 102           HG1      THR 102 -11.277   1.864  -7.516
  745   1HG2  THR 102          1HG2      THR 102  -9.620   1.720  -3.806
  746   2HG2  THR 102          2HG2      THR 102 -10.947   2.795  -4.307
  747   3HG2  THR 102          3HG2      THR 102 -11.241   1.050  -4.110
  748    H    GLY 103           H        GLY 103  -8.353   4.424  -7.643
  749   1HA   GLY 103          2HA       GLY 103  -8.065   4.950  -9.808
  750   2HA   GLY 103          1HA       GLY 103  -9.089   3.586 -10.209
  751    H    CYS 104           H        CYS 104  -8.168   1.997 -11.427
  752    HA   CYS 104           HA       CYS 104  -5.712   0.861 -10.860
  753   1HB   CYS 104          1HB       CYS 104  -7.707   0.699 -13.021
  754   2HB   CYS 104          2HB       CYS 104  -6.074   0.295 -13.512
  755    H    LYS 105           H        LYS 105  -6.718   3.284 -13.377
  756    HA   LYS 105           HA       LYS 105  -3.907   4.121 -13.493
  757   1HB   LYS 105          1HB       LYS 105  -4.005   4.361 -15.853
  758   2HB   LYS 105          2HB       LYS 105  -4.588   2.751 -15.485
  759   1HG   LYS 105          1HG       LYS 105  -6.635   4.954 -15.624
  760   2HG   LYS 105          2HG       LYS 105  -5.922   4.429 -17.136
  761   1HD   LYS 105          1HD       LYS 105  -6.701   2.165 -15.398
  762   2HD   LYS 105          2HD       LYS 105  -8.058   3.192 -15.816
  763   1HE   LYS 105          2HE       LYS 105  -7.939   1.561 -17.569
  764   2HE   LYS 105          1HE       LYS 105  -7.288   3.032 -18.264
  765   1HZ   LYS 105          1HZ       LYS 105  -5.630   0.920 -17.072
  766   2HZ   LYS 105          2HZ       LYS 105  -5.928   1.060 -18.672
  767   3HZ   LYS 105          3HZ       LYS 105  -5.098   2.230 -17.890
  768    H    GLY 106           H        GLY 106  -3.542   6.351 -13.540
  769   1HA   GLY 106          2HA       GLY 106  -5.639   8.228 -13.991
  770   2HA   GLY 106          1HA       GLY 106  -4.020   8.553 -13.402
  771    H    SER 107           H        SER 107  -4.028   6.812 -11.080
  772    HA   SER 107           HA       SER 107  -6.128   8.099  -9.518
  773   1HB   SER 107          2HB       SER 107  -6.163   6.203  -8.064
  774   2HB   SER 107          1HB       SER 107  -6.144   5.548  -9.689
  775    HG   SER 107           HG       SER 107  -4.491   4.403  -8.915
  776    H    ALA 108           H        ALA 108  -5.240   7.920  -6.960
  777    HA   ALA 108           HA       ALA 108  -3.053   9.754  -6.945
  778   1HB   ALA 108          1HB       ALA 108  -3.438   9.337  -4.368
  779   2HB   ALA 108          3HB       ALA 108  -4.906   8.499  -4.926
  780   3HB   ALA 108          2HB       ALA 108  -4.658  10.216  -5.320
  781    H    CYS 109           H        CYS 109  -3.235   6.412  -7.307
  782    HA   CYS 109           HA       CYS 109  -0.782   5.977  -5.785
  783   1HB   CYS 109          1HB       CYS 109  -2.815   4.036  -6.922
  784   2HB   CYS 109          2HB       CYS 109  -1.275   3.532  -6.253
  785    H    HIS 110           H        HIS 110  -2.365   5.551  -9.019
  786    HA   HIS 110           HA       HIS 110   0.332   5.415 -10.159
  787   1HB   HIS 110          1HB       HIS 110  -2.215   4.111 -11.159
  788   2HB   HIS 110          2HB       HIS 110  -0.685   4.111 -12.013
  789    HD1  HIS 110           HD1      HIS 110   1.369   3.254 -10.046
  790    HD2  HIS 110           HD2      HIS 110  -2.517   1.675  -9.989
  791    HE1  HIS 110           HE1      HIS 110   1.522   1.020  -8.823
  792    HA   PRO 111           HA       PRO 111  -1.530   9.185 -11.867
  793   1HB   PRO 111          1HB       PRO 111   0.274  10.986 -11.016
  794   2HB   PRO 111          2HB       PRO 111  -0.863  10.233  -9.850
  795   1HG   PRO 111          2HG       PRO 111   1.790   9.526 -10.672
  796   2HG   PRO 111          1HG       PRO 111   1.598   9.480  -8.889
  797   1HD   PRO 111          1HD       PRO 111   1.612   7.188 -10.325
  798   2HD   PRO 111          2HD       PRO 111   0.415   7.397  -9.010
  799    H    SER 112           H        SER 112  -0.768   7.699 -13.830
  800    HA   SER 112           HA       SER 112   1.505   9.101 -14.987
  801   1HB   SER 112          1HB       SER 112   1.329   6.287 -14.360
  802   2HB   SER 112          2HB       SER 112   1.364   6.456 -16.104
  803    HG   SER 112           HG       SER 112   3.382   6.912 -14.229

  No H/Q in entry =         803