*HEADER    IRON-SULFUR-PROTEIN                     21-SEP-00   1E8J
*TITLE     SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS ZINC RUBREDOXIN,
*TITLE    2 NMR, 20 STRUCTURES
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: RUBREDOXIN;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES;
*COMPND   5 OTHER_DETAILS: IRON-SULFUR-PROTEIN,ZINC SUBSTITUTED
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS;
*SOURCE   3 CELLULAR_LOCATION: CYTOPLASM;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: JM109;
*SOURCE   6 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PRPPL1;
*SOURCE   8 EXPRESSION_SYSTEM_GENE: RDDG
*KEYWDS    IRON-SULFUR-PROTEIN, ZINC-SUBSTITUTION, THERMOSTABILITY
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    P.LAMOSA,L.BRENNAN,H.VIS,D.L.TURNER,H.SANTOS
*REVDAT   1   25-SEP-00 1E8J    0





## LOV constraints

 48 ALA          HN     48 ALA  QB   118044.45
 16 ALA          HN     16 ALA  QB   169222.23
 16 ALA          HN     16 ALA  HA    56888.89
 14 ASP          HN     14 ASP  HB2   47222.22
 33 LEU          HN     33 LEU  HA    54527.78
 10 GLY          HA1    10 GLY  HN    78733.34
 46 LYS          HA     46 LYS  HN    68000.00
 33 LEU          HA     33 LEU  HB3   85855.00
 33 LEU          QD2    33 LEU  HB3   93865.00
 33 LEU          QD1    33 LEU  HB2   92765.00
 33 LEU          QD1    33 LEU  HB3   57470.00
 33 LEU          QD2    33 LEU  HB2   31185.00
  4 TYRF         HA      4 TYRF HN    48016.67
 47 ASP          HA     47 ASP  HN    49022.22
 49 PHEF         HA     49 PHEF HN   138433.34
 37 TRP          HA     37 TRP  HN    48733.34
 43 GLY          HA2    43 GLY  HN    84683.34
 45 SER          HB3    45 SER  HN    43183.34
  7 THR          HA      7 THR  HN    52828.89
 29 LYS          HA     29 LYS  HN  2857843.50
 11 TYRF         HA     11 TYRF HN   108083.34
  8 VAL          HA      8 VAL  HN    51066.67
 28 THR          HB     28 THR  HN   129344.45
 28 THR          HB     28 THR  HG1  153805.56
 23 GLY          HA2    23 GLY  HN  1356666.75
 18 GLY          HA1    18 GLY  HN  1678061.25
 10 GLY          HA2    10 GLY  HN   174366.67
 43 GLY          HA1    43 GLY  HN   160400.00
 18 GLY          HA2    18 GLY  HN    39988.89
 49 PHEF         HB2    49 PHEF HN   132900.00
 39 CYSS         HA     39 CYSS HN   271944.47
 42 CYSS         HB2    42 CYSS HN    17911.11
  9 CYSS         HB2     9 CYSS HN    11615.56
 11 TYRF         HB2    11 TYRF HN   292666.69
 13 TYRF         HB2    13 TYRF HN   142722.23
  6 CYSS         HB3     6 CYSS HN   276888.91
 39 CYSS         HB3    39 CYSS HN    97877.78
 25 LYS          HA     25 LYS  HN    66583.34
 19 ASP          HB3    19 ASP  HN    29450.00
 37 TRP          HB2    37 TRP  HN   103283.34
  6 CYSS         HA     49 PHEF HA   106000.00
 32 ASP          HB3    32 ASP  HN    20200.00
 37 TRP          HB3    37 TRP  HN   117055.56
  6 CYSS         HB2    10 GLY  HN    13887.22
  9 CYSS         HB3     9 CYSS HN    82338.89
  8 VAL          HB      8 VAL  HN    96500.01
  6 CYSS         HA      6 CYSS HN    55005.56
  6 CYSS         HB2     6 CYSS HN   111350.01
 42 CYSS         HB3    42 CYSS HN    64922.23
  4 TYRF         HB2     4 TYRF HN    84205.56
  4 TYRF         HB3     4 TYRF HN    14998.89
 49 PHEF         HB3    49 PHEF HN    38922.22
 32 ASP          HB2    32 ASP  HN   103022.23
 47 ASP          HB3    47 ASP  HN    18266.67
 50 GLU          HG2    50 GLU  HN     6268.33
 29 LYS          HB2    29 LYS  HN    29638.89
 50 GLU          HB2    50 GLU  HN    12202.78
 46 LYS          HB3    46 LYS  HN    91711.12
 24 ILE          HB     24 ILE  HN   118561.12
 17 LYS          HB2    17 LYS  HN  1124616.75
 49 PHEF         HB3    49 PHEF HA    85445.00
 50 GLU          HB3    50 GLU  HN    33166.67
 25 LYS          HG2    25 LYS  HN    32894.45
 12 GLU          HB2    12 GLU  HN    47111.11
 12 GLU          HB3    12 GLU  HN    23689.45
 24 ILE          HG12   24 ILE  HN    55366.67
 25 LYS          HB2    25 LYS  HN   107288.89
 25 LYS          HB3    25 LYS  HN    63877.78
 46 LYS          HB2    46 LYS  HN    73727.78
 29 LYS          HD2    29 LYS  HN   127516.67
 29 LYS          HG2    29 LYS  HN   109161.12
 44 ALA          QB     44 ALA  HN   115833.34
 51 LYS          HB2    51 LYS  HN    36138.89
 24 ILE          HG13   24 ILE  HN    18114.45
 28 THR          QG2    28 THR  HG1   29200.00
 28 THR          QG2    28 THR  HN    16994.45
  3 ILE          HG12    4 TYRF HN    58877.78
 46 LYS          HG3    46 LYS  HN     8417.78
  8 VAL          QG2     8 VAL  HN    97727.78
 24 ILE          QG2    19 ASP  HN    56461.11
 24 ILE          QG2    24 ILE  HN    11083.89
 24 ILE          QD1    24 ILE  HN    11525.56
 33 LEU          HG     33 LEU  HN   107405.56
 33 LEU          HB2    33 LEU  HN   132944.45
 38 ALA          QB     38 ALA  HN    77238.89
 33 LEU          HB3    33 LEU  HN    25950.00
 33 LEU          HB2    34 FPR  HD2   24230.00
 24 ILE          QD1    34 FPR  HD2   49765.00
 33 LEU          QD2    33 LEU  HN    13314.45
 33 LEU          QD1    33 LEU  HN    15185.56
 33 LEU          QD1    33 LEU  HA    12090.50
 33 LEU          QD2    33 LEU  HA   108900.00
 46 LYS          HD2    46 LYS  HN     8775.00
  5 VAL          HB      5 VAL  HN    52422.23
 37 TRP          HB3    37 TRP  HD1   13880.00
 37 TRP          HB2    37 TRP  HD1   59805.00
 39 CYSS         HB2    39 CYSS HN   119622.23
 41 VAL          HA     41 VAL  HN    38977.78
  6 CYSS         HB3    10 GLY  HN    81611.12
  5 VAL          QG2     5 VAL  HN    55533.89
  6 CYSS         HB3    49 PHEF HZ    31795.00
 39 CYSS         HB2    49 PHEF HZ   116230.00
 39 CYSS         HB2    49 PHEF HQE1 188800.00
  6 CYSS         HB3    49 PHEF HE1   51490.00
 30 PHEF         HA     33 LEU  HN    31566.67
 37 TRP          HZ3    30 PHEF HQE1  43555.00
 30 PHEF         HQD1    4 TYRF HQD1  22185.00
 30 PHEF         HD1     4 TYRF HQE1  22940.00
 37 TRP          HZ3    49 PHEF HD1    6997.00
 37 TRP          HZ3    49 PHEF HE1   26850.00
 37 TRP          HZ3    49 PHEF HZ    22220.00
 30 PHEF         HQD1   13 TYRF HQD2  71340.00
 30 PHEF         HD1    49 PHEF HD1   13316.50
 30 PHEF         HE1    49 PHEF HD1   22770.00
  4 TYRF         HQD2   49 PHEF HQD2  10338.00
 28 THR          HG1    28 THR  HN    65746.92
 37 TRP          HH2    49 PHEF HZ    44975.00
 11 TYRF         HQE2   49 PHEF HZ    29800.00
 37 TRP          HE3    49 PHEF HE1    6412.50
 30 PHEF         HE1    49 PHEF HE1    9474.00
 19 ASP          HB3    37 TRP  HE1   16322.22
 24 ILE          HG13   37 TRP  HE1   18110.56
 24 ILE          QD1    37 TRP  HE1    4504.44
 33 LEU          QD2    37 TRP  HE1   18165.00
 29 LYS          HE2    29 LYS  HN     1040.00
 41 VAL          HB     41 VAL  HN   109227.78
 41 VAL          QG2    41 VAL  HN    54650.00
 31 GLU          HA     32 ASP  HN    22233.33
 13 TYRF         HE1    13 TYRF HH   156150.00
  4 TYRF         HB3     4 TYRF HQD2 127050.00
  4 TYRF         HB2     4 TYRF HD1  236880.00
  4 TYRF         HA      5 VAL  HN   272666.69
  5 VAL          HA      6 CYSS HN   390036.69
  6 CYSS         HA      7 THR  HN   372666.69
  7 THR          HA      8 VAL  HN    32066.67
 49 PHEF         HA     50 GLU  HN   136000.00
 10 GLY          HA2    11 TYRF HN    38816.67
 10 GLY          HA1    11 TYRF HN    37133.34
 18 GLY          HA2    19 ASP  HN  1497722.25
 18 GLY          HA1    19 ASP  HN    95250.01
 17 LYS          HN     16 ALA  HN   115944.45
 17 LYS          HN     18 GLY  HN   197135.81
 44 ALA          HA     44 ALA  HN    87816.67
 43 GLY          HA2    44 ALA  HN    46666.67
 43 GLY          HA1    44 ALA  HN    25100.00
 43 GLY          HN     44 ALA  HN    62030.87
 43 GLY          HN     42 CYSS HN   178271.62
 45 SER          HN     44 ALA  HN     9790.12
 44 ALA          HA     45 SER  HN   240672.80
 46 LYS          HA     47 ASP  HN    33333.34
 47 ASP          HN     46 LYS  HN    36864.20
 27 GLY          HA2    28 THR  HN    21940.56
  8 VAL          HA      9 CYSS HN    23950.00
  9 CYSS         HA     10 GLY  HN    23833.33
 24 ILE          HA     25 LYS  HN   203500.02
 37 TRP          HA     38 ALA  HN   176083.34
 38 ALA          HA     39 CYSS HN   225500.02
  4 TYRF         HQD1    4 TYRF HN    46122.22
  4 TYRF         HQE1    4 TYRF HN    12291.11
  4 TYRF         HA      4 TYRF HQD1  31485.00
  5 VAL          HA     13 TYRF HN    44100.00
 49 PHEF         HQD2   13 TYRF HN    26466.67
 49 PHEF         HQE2   13 TYRF HN    31772.22
 49 PHEF         HQE2    6 CYSS HN    27188.89
 49 PHEF         HQD2    6 CYSS HN    40927.78
 10 GLY          HN     11 TYRF HN    75092.60
  3 ILE          QG2    13 TYRF HN    47316.67
  8 VAL          HB      9 CYSS HN   107005.56
 39 CYSS         HB3    44 ALA  HN   163166.67
 39 CYSS         HB2    44 ALA  HN    36722.22
  6 CYSS         HB3     9 CYSS HN    40177.78
  8 VAL          QG1     9 CYSS HN    37500.00
 28 THR          QG2    29 LYS  HN    39394.45
 33 LEU          QD2    13 TYRF HH    98935.00
 28 THR          HB     13 TYRF HH   178195.00
 28 THR          QG2    13 TYRF HH    23295.00
 28 THR          HN     27 GLY  HN    71154.33
 49 PHEF         HQE1   39 CYSS HN    42461.11
  7 THR          HN      8 VAL  HN    65376.55
 18 GLY          HA1    13 TYRF HQE1  61090.00
 15 FPR          HA     13 TYRF HH    76536.50
 15 FPR          HA     13 TYRF HQE2  95105.00
  4 TYRF         HA     52 GLN  HN   209000.02
 49 PHEF         HA      7 THR  HN    52622.23
 46 LYS          HA     49 PHEF HQD1 140070.00
 49 PHEF         HA     49 PHEF HD1   49344.50
  5 VAL          HA     49 PHEF HQD2  37545.00
 49 PHEF         HQD1   49 PHEF HN   105138.89
 38 ALA          HA     37 TRP  HE3   30750.00
 46 LYS          HA     30 PHEF HZ    49545.00
 49 PHEF         HB2    30 PHEF HZ   123960.00
 49 PHEF         HB3    30 PHEF HZ    22505.00
 46 LYS          HG3    30 PHEF HZ    35510.00
 46 LYS          HG2    30 PHEF HZ    45920.00
 39 CYSS         HA     37 TRP  HH2   25340.00
  6 CYSS         HB2    49 PHEF HZ    71215.00
  6 CYSS         HB2    49 PHEF HE1   80590.00
 49 PHEF         HB2    49 PHEF HD1  108305.00
 49 PHEF         HB3    49 PHEF HD1  258000.00
  4 TYRF         HB3    49 PHEF HQD2 144055.00
  4 TYRF         HB2    49 PHEF HD1  258000.00
  6 CYSS         HA     49 PHEF HD1   14945.00
 48 ALA          QB     49 PHEF HQD1  28015.00
 48 ALA          QB      8 VAL  HN    15460.56
 48 ALA          QB      7 THR  HN    41933.34
 49 PHEF         HB2     4 TYRF HQD2  53460.00
 49 PHEF         HB3    30 PHEF HQE1  29980.00
 46 LYS          HG2    30 PHEF HQE1  30420.00
 46 LYS          HB3    37 TRP  HE3   12765.00
 46 LYS          HB2    37 TRP  HE3   45565.00
 33 LEU          QD1    37 TRP  HE3   18350.00
 46 LYS          HG3    37 TRP  HE3   45470.00
 46 LYS          HD2    37 TRP  HE3   11048.50
 37 TRP          HB3    37 TRP  HE3   76915.00
 37 TRP          HB2    37 TRP  HE3   14785.00
 33 LEU          QD1    13 TYRF HD1   18130.00
 33 LEU          QD1    37 TRP  HH2   10412.50
 33 LEU          QD1    30 PHEF HQD1  79965.00
 33 LEU          QD1    37 TRP  HZ3    9790.00
 33 LEU          QD2    13 TYRF HQE1  35785.00
 33 LEU          QD2    13 TYRF HQD1   9134.50
 24 ILE          QG2    13 TYRF HQE1  41215.00
 24 ILE          QG2    28 THR  HG1   37883.34
 24 ILE          QG2    28 THR  HN    25083.33
 28 THR          HG1    25 LYS  HN    70666.67
 33 LEU          QD2    37 TRP  HD1   10790.00
 24 ILE          QD1    37 TRP  HD1   16750.00
 24 ILE          HG13   37 TRP  HD1   26805.00
 30 PHEF         HB3    30 PHEF HQD2 172050.00
  4 TYRF         HB2    30 PHEF HQD1  73760.00
 30 PHEF         HB2    30 PHEF HQD1  81675.00
 30 PHEF         HA     30 PHEF HQD1  60720.00
 31 GLU          HA     30 PHEF HQD2  26156.00
  4 TYRF         HB3    30 PHEF HQD1  24690.00
 30 PHEF         HB3     4 TYRF HQE1  36275.00
 30 PHEF         HB3     4 TYRF HQD1  28035.00
 30 PHEF         HB2     4 TYRF HQE1  47040.00
 30 PHEF         HB2     4 TYRF HQD1  58250.00
 30 PHEF         HB3    13 TYRF HQE2  60255.00
 30 PHEF         HB2    13 TYRF HQE2  10493.00
 24 ILE          HB     13 TYRF HQE1  23663.50
 19 ASP          HB3    13 TYRF HQE1  35095.50
 19 ASP          HB2    13 TYRF HQE1  38435.00
 30 PHEF         HA     13 TYRF HQE2  36580.00
 18 GLY          HA2    13 TYRF HQE1   7239.50
 29 LYS          HA     13 TYRF HQE2  35775.00
 11 TYRF         HB2    11 TYRF HQD1 338450.00
  6 CYSS         HB3    11 TYRF HQD2  24040.00
 40 FPR          HD2    11 TYRF HQE2  48160.00
 13 TYRF         HB2    11 TYRF HQE2 116550.00
 11 TYRF         HA     11 TYRF HQD1 118650.00
 39 CYSS         HA     49 PHEF HZ    85375.00
 39 CYSS         HA     49 PHEF HQE1  37304.00
 39 CYSS         HB3    43 GLY  HN   112000.01
 39 CYSS         HB2    43 GLY  HN    12361.11
 30 PHEF         HB3    13 TYRF HQD2  24471.00
 30 PHEF         HB2    13 TYRF HQD2  65040.00
 49 PHEF         HB3    50 GLU  HN    32227.78
 24 ILE          HB     19 ASP  HN   163388.89
 48 ALA          QB     45 SER  HN    12533.33
 39 CYSS         HB3    42 CYSS HN    45111.11
 39 CYSS         HB2    42 CYSS HN    17120.56
 13 TYRF         HB2    37 TRP  HH2  414135.00
 17 LYS          HB2    14 ASP  HN    35755.56
 24 ILE          QG2    25 LYS  HN    58577.78
 33 LEU          QD2    34 FPR  HD2   60030.00
 33 LEU          HB3    34 FPR  HD2   83805.00
 33 LEU          QD1    30 PHEF HA   106800.00
 33 LEU          HB3    37 TRP  HB2   27435.00
 33 LEU          HB3    37 TRP  HB3   39485.00
 33 LEU          QD2    24 ILE  QG2  165050.00
 33 LEU          QD2    24 ILE  HG13 389955.00
 33 LEU          QD2    28 THR  QG2   78440.00
 10 GLY          HN      9 CYSS HN   153580.27
 49 PHEF         HQD1   48 ALA  HN    33511.11
 38 ALA          QB     39 CYSS HN    99983.34
  4 TYRF         HN     13 TYRF HN    35135.80
 13 TYRF         HB2     4 TYRF HN    23138.89
 49 PHEF         HB3     4 TYRF HD1  194350.00
 51 LYS          HA      4 TYRF HQD2  24419.00
  4 TYRF         HA      4 TYRF HE1    5257.50
 51 LYS          HB3     4 TYRF HQE2  25405.00
 51 LYS          HG2     4 TYRF HQE2  17723.50
 49 PHEF         HZ      6 CYSS HN     8382.22
  6 CYSS         HA      8 VAL  HN    22150.00
  6 CYSS         HB3     8 VAL  HN    31461.11
  7 THR          QG2     7 THR  HN    66777.78
 10 GLY          HN      8 VAL  HN    15981.48
 44 ALA          QB      8 VAL  HB    59670.00
  9 CYSS         HN     11 TYRF HN    40629.63
 13 TYRF         HB2    30 PHEF HD1   47485.00
 13 TYRF         HQE1   19 ASP  HN     9227.22
 13 TYRF         HQD1   14 ASP  HN    12330.00
 15 FPR          HA     27 GLY  HN     6862.22
  3 ILE          QG2     4 TYRF HN    72844.45
 14 ASP          HB3    17 LYS  HN    40425.00
 16 ALA          HA     27 GLY  HN    38095.00
 16 ALA          QB     17 LYS  HN    48472.22
 17 LYS          HB2    18 GLY  HN    87233.34
 18 GLY          HN     27 GLY  HN    26391.98
 18 GLY          HA2    27 GLY  HN   132402.78
 19 ASP          HB3    24 ILE  HN    29722.22
 24 ILE          QD1    25 LYS  HN    17531.11
 28 THR          QG2    32 ASP  HN    11874.45
 41 VAL          QG2    11 TYRF HQD1  99670.00
 41 VAL          HB     11 TYRF HQD1  13144.50
 32 ASP          HB2    29 LYS  HN    53061.11
 46 LYS          HG3    30 PHEF HE1   88877.50
 46 LYS          HD2    30 PHEF HE1    6495.00
 39 CYSS         HA     41 VAL  HN    30579.45
 42 CYSS         HB2    44 ALA  HN    11547.22
 46 LYS          HA     48 ALA  HN    16433.33
 51 LYS          HA     52 GLN  HN   104983.34
 51 LYS          HG2    52 GLN  HN    29033.33
 37 TRP          HA     37 TRP  HD1   94995.00
 40 FPR          HD3    37 TRP  HZ2   70305.00
 40 FPR          HD3    11 TYRF HQE2  16805.00
 40 FPR          HD3    37 TRP  HH2   20615.00
 40 FPR          HD2    37 TRP  HZ2   22035.50
 40 FPR          HD2    37 TRP  HH2   17830.00
 13 TYRF         HB2    37 TRP  HZ2   19155.00
 41 VAL          QG2    11 TYRF HE1   16975.00
 40 FPR          HG3    37 TRP  HZ2   98969.50
 40 FPR          HG3    11 TYRF HE1   10019.00
 40 FPR          HB2    11 TYRF HE1   22680.00
  7 THR          HN      9 CYSS HN    13197.53
  5 VAL          QG2     6 CYSS HN    48122.22
 41 VAL          HB     42 CYSS HN   116333.34
 40 FPR          HD2    41 VAL  HN    51766.67
 39 CYSS         HB2    41 VAL  HN    14108.89
 40 FPR          HB2    41 VAL  HN    24422.22
 40 FPR          HA     41 VAL  HN    33350.00
 43 GLY          HN     41 VAL  HN    22987.66
 42 CYSS         HN     44 ALA  HN    15781.48
 46 LYS          HA     49 PHEF HQE1  29565.00
 25 LYS          HB3    28 THR  HG1   15594.45
 25 LYS          HB2    28 THR  HG1   11261.11
 44 ALA          QB     39 CYSS HN    16000.00
 44 ALA          QB     49 PHEF HQE1  29320.00
 44 ALA          QB     49 PHEF HQD1   6489.50
 28 THR          QG2    13 TYRF HE1    8949.00
 49 PHEF         HA     49 PHEF HE1    3213.00
 18 GLY          HA1    13 TYRF HH   178195.00
  4 TYRF         HB2     4 TYRF HE1   32910.00
  4 TYRF         HB3     4 TYRF HE1   10438.50
  4 TYRF         HA      4 TYRF HB3  100455.00
  5 VAL          HA      5 VAL  QG2   37740.00
  9 CYSS         HA     11 TYRF HN     8513.33
 13 TYRF         HE1    33 LEU  QD1   49260.00
 49 PHEF         HD1    13 TYRF HB2   41460.00
 13 TYRF         HD1    13 TYRF HB2  286500.00
 19 ASP          HA     19 ASP  HB2   81615.00
 19 ASP          HA     19 ASP  HB3   32430.00
 27 GLY          HN     27 GLY  HA2  153716.67
 31 GLU          HN     30 PHEF HB3   48200.00
 30 PHEF         HE1    33 LEU  QD1   49260.00
 34 FPR          HD3    33 LEU  HB3   18886.50
 34 FPR          HD3    33 LEU  QD2   30295.00
 24 ILE          HG12   33 LEU  QD2    6429.00
 24 ILE          HB     33 LEU  QD2   11427.00
 34 FPR          HD3    24 ILE  QD1   61710.00
 33 LEU          HG     30 PHEF HA   138100.00
 37 TRP          HA     37 TRP  HB2  104925.00
  4 TYRF         HN     13 TYRF HQD2  11263.33
 13 TYRF         HH     13 TYRF HD1   14155.50
 15 FPR          HB2    13 TYRF HQE2  42555.00
 15 FPR          HA     15 FPR  HB2  132585.00
 28 THR          QG2    32 ASP  HB2   90590.00
 28 THR          QG2    32 ASP  HB3   32025.00
 39 CYSS         HA     40 FPR  HD3  228420.00
 33 LEU          HA     33 LEU  HG    80685.00
  4 TYRF         HA     51 LYS  HA    75735.00
 13 TYRF         HB3    13 TYRF HN   202833.34
 13 TYRF         HB3     4 TYRF HN    31183.33
 13 TYRF         HB3    13 TYRF HD1  407400.00
 13 TYRF         HB3    11 TYRF HQE2 151650.00
 46 LYS          HD2    33 LEU  QD1   15085.00
 26 FPR          HB2    27 GLY  HN    18200.00
 46 LYS          HB2    30 PHEF HZ    10181.50
 24 ILE          HA     24 ILE  QD1  159300.00
 24 ILE          HA     24 ILE  QG2  131805.00
 24 ILE          QG2    13 TYRF HH    47610.00
 41 VAL          QG1    42 CYSS HN    28052.22
 41 VAL          QG2    11 TYRF HN    15575.00
  8 VAL          QG2     7 THR  HN    17212.22
  3 ILE          HB      3 ILE  HN   106522.23
 46 LYS          HD2    33 LEU  HB3   23330.00
  3 ILE          HG12   15 FPR  HD3    3592.00
  3 ILE          HG12   15 FPR  HD2   22025.50
 24 ILE          QG2    28 THR  HB   183895.00
  8 VAL          QG1     8 VAL  HA   235595.00
 41 VAL          QG2    41 VAL  HA   157915.00
 41 VAL          QG2    11 TYRF HB2   78775.00
 20 FPR          HA     23 GLY  HN    24050.00
 34 FPR          HB2    37 TRP  HN    35772.22
  6 CYSS         HB2    11 TYRF HQD2  43105.00
 34 FPR          HD2    37 TRP  HD1   22915.00
 39 CYSS         HN     49 PHEF HZ     8298.33
 40 FPR          HD2    49 PHEF HZ    31795.00
  4 TYRF         HQD2    4 TYRF HN    46127.78
 41 VAL          QG2    11 TYRF HQD2  99670.00
 24 ILE          QG2    13 TYRF HQE2  41215.00
 33 LEU          QD1    30 PHEF HQD2  79965.00
 49 PHEF         HQD2   49 PHEF HN   105138.89
 30 PHEF         HQD1    4 TYRF HQD2  52185.00
 30 PHEF         HQD2    4 TYRF HQD1  52185.00
 30 PHEF         HQD2    4 TYRF HQD2  22185.00
 30 PHEF         HB3     4 TYRF HQD2  28035.00
 30 PHEF         HB2     4 TYRF HQD2  58250.00
  4 TYRF         HQD1   50 GLU  HN    13079.45
  4 TYRF         HQE2    4 TYRF HN    12291.11
 11 TYRF         HA     11 TYRF HQD2 118650.00
 30 PHEF         HB3    13 TYRF HQD1  24381.00
 30 PHEF         HB2    13 TYRF HQD1  65040.00
 30 PHEF         HB3    13 TYRF HQE1  60255.00
 30 PHEF         HB2    13 TYRF HQE1  10493.00
 18 GLY          HA2    13 TYRF HQE2   7239.50
 18 GLY          HA1    13 TYRF HQE2  61090.00
 33 LEU          QD2    13 TYRF HQE2  35785.00
 24 ILE          HB     13 TYRF HQE2  23663.50
 19 ASP          HB3    13 TYRF HQE2  35095.50
 19 ASP          HB2    13 TYRF HQE2  38435.00
 30 PHEF         HA     13 TYRF HQE1  36580.00
 13 TYRF         HQE2   19 ASP  HN     9227.22
 30 PHEF         HQD2    4 TYRF HB3   24690.00
 30 PHEF         HQD2    4 TYRF HB2   73760.00
 30 PHEF         HA     30 PHEF HQD2  60720.00
 31 GLU          HA     30 PHEF HQD1  26156.00
 49 PHEF         HB3    30 PHEF HQE2  29980.00
 49 PHEF         HB2    30 PHEF HQE2  38070.00
 37 TRP          HZ3    30 PHEF HQE2  43555.00
 46 LYS          HG2    30 PHEF HQE2  30420.00
  5 VAL          HA     49 PHEF HQD1  37545.00
  5 VAL          HA     49 PHEF HE1   17910.00
 11 TYRF         HB3    11 TYRF HD1   24040.00
 11 TYRF         HB3    11 TYRF HN   276888.91
  4 TYRF         HA      4 TYRF HQD2  31485.00
 30 PHEF         HB2     4 TYRF HQE2  47040.00
 30 PHEF         HB3     4 TYRF HQE2  36275.00
  6 CYSS         HB2    11 TYRF HQD1  43105.00
  6 CYSS         HB3    11 TYRF HQD1  24040.00
 40 FPR          HD2    11 TYRF HQE1  48160.00
 40 FPR          HD3    11 TYRF HQE1  16805.00
 46 LYS          HA     49 PHEF HQD2 140070.00
 48 ALA          QB     49 PHEF HQD2  28015.00
  4 TYRF         HQD1   49 PHEF HQD1  10338.00
 49 PHEF         HQD1   13 TYRF HN    26466.67
 49 PHEF         HQD1    6 CYSS HN    40927.78
 49 PHEF         HQD1    5 VAL  HN    13539.45
 49 PHEF         HQD2   48 ALA  HN    33511.11
 49 PHEF         HQE1   13 TYRF HN    31772.22
 49 PHEF         HQE1    6 CYSS HN    27188.89
 49 PHEF         HQE2   39 CYSS HN    42461.11
 44 ALA          QB     49 PHEF HQE2  28496.50
 39 CYSS         HA     49 PHEF HQE2  37304.00
 46 LYS          HA     49 PHEF HQE2  29565.00
 33 LEU          QD2    13 TYRF HQD2   9134.50
  4 TYRF         HN     13 TYRF HQD1  11263.33
 30 PHEF         HB3    30 PHEF HQD1 172050.00
 30 PHEF         HB2    30 PHEF HQD2  81675.00
 46 LYS          HG2    46 LYS  HN    91711.12
  8 VAL          QG1     9 CYSS HB3   51820.00
 39 CYSS         HB2    37 TRP  HZ3   14178.00
  4 TYRF         HB3     5 VAL  HN    25361.11
  4 TYRF         HB3    50 GLU  HN    11061.67
 39 CYSS         HA     11 TYRF HQD2  16680.00
  4 TYRF         HB3     4 TYRF HQD1 127050.00
  4 TYRF         HQE1   51 LYS  HG2   17723.50
  4 TYRF         HQE1   51 LYS  HB3   25405.00
 11 TYRF         HB2    11 TYRF HQD2 338450.00
 11 TYRF         HQE1   49 PHEF HZ    29800.00
 30 PHEF         HQD1   13 TYRF HQD1  71340.00
 30 PHEF         HQD2   13 TYRF HQD1  71340.00
 30 PHEF         HQD2   13 TYRF HQD2  85865.50
 15 FPR          HA     13 TYRF HQE1  95105.00
 29 LYS          HA     13 TYRF HQE1  35775.00
 44 ALA          QB     49 PHEF HQD2   6489.50
  4 TYRF         HB3    49 PHEF HQD1 144055.00
 46 LYS          HG3    37 TRP  HZ3    8175.00
 39 CYSS         HB3    43 GLY  HA1   16620.00
 47 ASP          HB2    46 LYS  HN   116333.34
 27 GLY          HN     26 FPR  HB3  100988.89
 39 CYSS         HA     11 TYRF HQD1  16680.00
  8 VAL          QG2    44 ALA  QB   160430.00
 41 VAL          HB     11 TYRF HQD2  13144.50
 39 CYSS         HB3    41 VAL  HN    17255.56
 38 ALA          QB     43 GLY  HA1   51370.00
  9 CYSS         HB2    11 TYRF HN    11363.89
 11 TYRF         HB3    41 VAL  HN    17255.56
  9 CYSS         HB3    10 GLY  HN     9395.00
  2 ASP          HN      2 ASP  HB2   32216.67
  3 ILE          HN      2 ASP  HB2   12420.00
 39 CYSS         HB2    49 PHEF HQE2 188800.00
  3 ILE          HB      4 TYRF HN    11827.78
 12 GLU          HG3     4 TYRF HN     3372.78
  5 VAL          HN     52 GLN  HN    25117.29
 12 GLU          HN      6 CYSS HN    11189.51
 11 TYRF         HB3    12 GLU  HN    14127.78
 12 GLU          HB3    13 TYRF HN    18100.00
 15 FPR          HD3    13 TYRF HQD2  21270.00
 19 ASP          HB3    24 ILE  HB   130300.00
 19 ASP          HB3    24 ILE  HG13  30105.00
 24 ILE          HG12   23 GLY  HN    33333.34
 28 THR          HA     29 LYS  HN  2857843.50
 47 ASP          HB2    48 ALA  HN    18422.22
 51 LYS          HN     50 GLU  HN    27574.08
 51 LYS          HB3    52 GLN  HN    17555.56
 38 ALA          QB     46 LYS  HN    10925.56
 38 ALA          QB     45 SER  HN     5753.89
 13 TYRF         HB3     4 TYRF HD1   12626.00
  4 TYRF         HD1    13 TYRF HD1   23335.00
 13 TYRF         HB2    30 PHEF HE1   32460.00
 50 GLU          HB2    51 LYS  HN    16666.67
  3 ILE          HN      4 TYRF HN    37037.04
  4 TYRF         HQD1    3 ILE  HN     6961.67
  4 TYRF         HQE1    3 ILE  HN     7411.11
  3 ILE          HN      5 VAL  HN    18518.52
  5 VAL          HN      4 TYRF HN    37037.04
  4 TYRF         HQE2    3 ILE  HN     7411.11
 30 PHEF         HD1     4 TYRF HQE2  22940.00
  4 TYRF         HQD2    3 ILE  HN     6961.67
  4 TYRF         HQD1   49 PHEF HQD2  10338.00
  4 TYRF         HQD2   49 PHEF HQD1  10338.00
 15 FPR          HB2    13 TYRF HQE1  42555.00
 19 ASP          HB3    23 GLY  HN    16666.67
 23 GLY          HN     19 ASP  HB2   16666.67
  7 THR          QG2    50 GLU  HN    12222.78
 51 LYS          HA      4 TYRF HQD1  24419.00
  2 ASP          HB2     4 TYRF HQE1  20610.00
 37 TRP          HZ3    39 CYSS HN    10325.00
 37 TRP          HZ3    30 PHEF HZ    12428.00
 15 FPR          HG2     2 ASP  HN    12029.45
 12 GLU          HB2     5 VAL  HA     8047.50
 12 GLU          HG3     5 VAL  HA     3893.50
 12 GLU          HG2     5 VAL  HA     2014.50
 12 GLU          HB3     5 VAL  HA     6704.50
 47 ASP          HB2    45 SER  HB3    4757.50
 34 FPR          HA     35 ASP  HN    62500.00
 13 TYRF         HQD2   14 ASP  HN    12330.00
 15 FPR          HD2    16 ALA  HN   245833.34
 33 LEU          QD2    24 ILE  QD1  121375.00
 34 FPR          HD2    33 LEU  HA   114600.00
 27 GLY          HN     17 LYS  HA     9315.56
 25 LYS          HA     18 GLY  HA2   68930.00


## UPV constraints

 48 ALA          HN     48 ALA  QB    95755.56
 16 ALA          HN     16 ALA  QB   148444.45
 16 ALA          HN     16 ALA  HA    10438.89
 14 ASP          HN     14 ASP  HB2   41933.34
 33 LEU          HN     33 LEU  HA    36050.00
 10 GLY          HA1    10 GLY  HN    25688.89
 46 LYS          HA     46 LYS  HN    22111.11
 33 LEU          HA     33 LEU  HB3   63485.00
 33 LEU          QD2    33 LEU  HB3   77055.00
 33 LEU          QD1    33 LEU  HB2   84135.00
 33 LEU          QD1    33 LEU  HB3   54670.00
 33 LEU          QD2    33 LEU  HB2   21395.00
  4 TYRF         HA      4 TYRF HN    15450.00
 47 ASP          HA     47 ASP  HN    28222.22
 49 PHEF         HA     49 PHEF HN    45588.89
 37 TRP          HA     37 TRP  HN    15688.89
 43 GLY          HA2    43 GLY  HN    27672.22
 45 SER          HB3    45 SER  HN    13838.89
  7 THR          HA      7 THR  HN    20571.11
 11 TYRF         HA     11 TYRF HN    35472.22
  8 VAL          HA      8 VAL  HN    16466.67
 28 THR          HB     28 THR  HN    71900.00
 28 THR          HB     28 THR  HG1   90527.78
 23 GLY          HA2    23 GLY  HN   451666.69
 18 GLY          HA1    18 GLY  HN   610272.25
 10 GLY          HA2    10 GLY  HN   112188.89
 43 GLY          HA1    43 GLY  HN   120377.78
 18 GLY          HA2    18 GLY  HN    38811.11
 49 PHEF         HB2    49 PHEF HN    43744.45
 31 GLU          HA     31 GLU  HN    20050.00
 42 CYSS         HB2    42 CYSS HN    13888.89
  9 CYSS         HB2     9 CYSS HN     6886.67
 30 PHEF         HA     30 PHEF HN    22877.78
 11 TYRF         HB2    11 TYRF HN   286111.12
 39 CYSS         HB3    39 CYSS HN    90544.45
 25 LYS          HA     25 LYS  HN    21638.89
 19 ASP          HB3    19 ASP  HN    17038.89
 37 TRP          HB2    37 TRP  HN    87250.01
  6 CYSS         HA     49 PHEF HA    57400.00
 32 ASP          HB3    32 ASP  HN    14000.00
 37 TRP          HB3    37 TRP  HN   100677.78
  6 CYSS         HB2    10 GLY  HN     7652.78
  9 CYSS         HB3     9 CYSS HN    75638.89
  8 VAL          HB      8 VAL  HN    88411.12
  6 CYSS         HA      6 CYSS HN    50061.11
  6 CYSS         HB2     6 CYSS HN    98761.12
 30 PHEF         HB2    30 PHEF HN    52872.23
 42 CYSS         HB3    42 CYSS HN    46722.22
  4 TYRF         HB3     4 TYRF HN    11578.89
 49 PHEF         HB3    49 PHEF HN    22944.45
 32 ASP          HB2    32 ASP  HN    97911.12
 47 ASP          HB3    47 ASP  HN     5533.33
 50 GLU          HG2    50 GLU  HN     1533.89
 29 LYS          HB2    29 LYS  HN    17316.67
 30 PHEF         HB3    30 PHEF HN    41461.11
 31 GLU          HB2    31 GLU  HN    12508.33
 50 GLU          HB2    50 GLU  HN     8570.56
 24 ILE          HB     24 ILE  HN    54388.89
 17 LYS          HB2    17 LYS  HN   421050.03
 49 PHEF         HB3    49 PHEF HA    44855.00
 31 GLU          HB3    31 GLU  HN    10395.00
 50 GLU          HB3    50 GLU  HN    24766.67
 25 LYS          HG2    25 LYS  HN    29794.45
  5 VAL          HB      5 VAL  HA    10082.50
 12 GLU          HB2    12 GLU  HN    32955.56
 12 GLU          HB3    12 GLU  HN    12888.33
 24 ILE          HG12   24 ILE  HN    54055.56
 25 LYS          HB2    25 LYS  HN    97844.45
 46 LYS          HB2    46 LYS  HN    69227.78
 29 LYS          HD2    29 LYS  HN    94594.45
 29 LYS          HG2    29 LYS  HN    85816.67
 44 ALA          QB     44 ALA  HN   106944.45
 51 LYS          HB2    51 LYS  HN    21305.56
 24 ILE          HG13   24 ILE  HN    12618.89
 28 THR          QG2    28 THR  HG1   24955.56
 28 THR          QG2    28 THR  HN    13161.11
  3 ILE          HG12    4 TYRF HN    52477.78
 46 LYS          HG3    46 LYS  HN     7306.67
  8 VAL          QG2     8 VAL  HN    95805.56
 24 ILE          QG2    19 ASP  HN    39716.67
 24 ILE          QG2    24 ILE  HN     6905.00
 24 ILE          QD1    24 ILE  HN    10252.22
 33 LEU          HG     33 LEU  HN   101305.56
 33 LEU          HB2    33 LEU  HN   128944.45
 38 ALA          QB     38 ALA  HN    65827.78
 33 LEU          HB3    33 LEU  HN    19072.22
 33 LEU          HB2    34 FPR  HD2   15650.00
 24 ILE          QD1    34 FPR  HD2   47575.00
 33 LEU          QD2    33 LEU  HN     9974.45
 33 LEU          QD1    33 LEU  HN    11614.45
 33 LEU          QD1    33 LEU  HA     5841.50
 33 LEU          QD2    33 LEU  HA    96200.00
 46 LYS          HD2    46 LYS  HN     2369.44
  5 VAL          HB      5 VAL  HN    48000.00
 37 TRP          HB3    37 TRP  HD1   12880.00
 37 TRP          HB2    37 TRP  HD1   46255.00
 39 CYSS         HB2    39 CYSS HN   101888.89
 41 VAL          HA     41 VAL  HN    29222.22
 38 ALA          HA     38 ALA  HN    12633.33
  6 CYSS         HB3    10 GLY  HN    67611.12
 28 THR          HA     28 THR  HG1    3777.78
  5 VAL          QG2     5 VAL  HN    24066.11
 39 CYSS         HB2    49 PHEF HQE1  82300.00
 30 PHEF         HA     33 LEU  HN    18944.45
 32 ASP          HN     31 GLU  HN    17820.99
 37 TRP          HZ3    30 PHEF HQE1  20350.00
 30 PHEF         HQD1    4 TYRF HQD1   8820.00
 30 PHEF         HD1     4 TYRF HQE1   9695.00
 37 TRP          HZ3    49 PHEF HD1    5997.00
 37 TRP          HZ3    49 PHEF HE1   22870.00
 37 TRP          HZ3    49 PHEF HZ    16900.00
 30 PHEF         HQD1   13 TYRF HQD2  31200.00
 30 PHEF         HD1    49 PHEF HD1    4785.50
 30 PHEF         HE1    49 PHEF HD1   16390.00
  4 TYRF         HQD2   49 PHEF HQD2   4420.00
 28 THR          HG1    28 THR  HN    56771.61
 37 TRP          HH2    49 PHEF HZ    42725.00
 11 TYRF         HQE2   49 PHEF HZ    12000.00
 37 TRP          HE3    49 PHEF HE1    1637.50
 30 PHEF         HE1    49 PHEF HE1    2658.00
 19 ASP          HB3    37 TRP  HE1   13122.22
 24 ILE          HG13   37 TRP  HE1   11822.78
 24 ILE          QD1    37 TRP  HE1    3393.33
 33 LEU          QD2    37 TRP  HE1    8257.22
 41 VAL          HB     41 VAL  HN    97861.12
 41 VAL          QG2    41 VAL  HN    43905.56
 31 GLU          HA     32 ASP  HN     6855.56
 13 TYRF         HE1    13 TYRF HH   135750.00
  4 TYRF         HB3     4 TYRF HQD2  60300.00
  5 VAL          HA      6 CYSS HN   135407.78
  7 THR          HA      8 VAL  HN    10133.33
 49 PHEF         HA     50 GLU  HN   100333.34
 10 GLY          HA2    11 TYRF HN    16457.22
 10 GLY          HA1    11 TYRF HN    11822.22
 18 GLY          HA2    19 ASP  HN   597055.56
 18 GLY          HA1    19 ASP  HN    31194.45
 17 LYS          HN     16 ALA  HN   106376.55
 17 LYS          HN     18 GLY  HN   145703.72
 44 ALA          HA     44 ALA  HN    28716.67
 43 GLY          HA2    44 ALA  HN    15000.00
 43 GLY          HA1    44 ALA  HN     7811.11
 43 GLY          HN     44 ALA  HN    58685.19
 42 CYSS         HA     43 GLY  HN     5900.00
 43 GLY          HN     42 CYSS HN   165308.66
 45 SER          HN     44 ALA  HN     3000.00
 44 ALA          HA     45 SER  HN    86549.45
 45 SER          HA     46 LYS  HN    69277.78
 38 ALA          HA     46 LYS  HN    16472.22
 47 ASP          HN     46 LYS  HN    32296.30
 27 GLY          HA2    28 THR  HN    10170.56
 29 LYS          HA     30 PHEF HN    36233.34
  8 VAL          HA      9 CYSS HN     7427.78
  9 CYSS         HA     10 GLY  HN     7388.89
 12 GLU          HA     13 TYRF HN   129833.34
 24 ILE          HA     25 LYS  HN    67277.78
 30 PHEF         HA     31 GLU  HN     5386.67
 37 TRP          HA     38 ALA  HN    65805.56
 38 ALA          HA     39 CYSS HN    74611.12
  4 TYRF         HQD1    4 TYRF HN    19555.56
  4 TYRF         HQE1    4 TYRF HN     4438.89
  4 TYRF         HA      4 TYRF HQD1   4750.00
  5 VAL          HA     13 TYRF HN    14144.45
 49 PHEF         HQD2   13 TYRF HN    18711.11
 49 PHEF         HQE2   13 TYRF HN    24227.78
 49 PHEF         HQE2    6 CYSS HN    12722.22
 49 PHEF         HQD2    6 CYSS HN    15833.33
 10 GLY          HN     11 TYRF HN    73623.46
  3 ILE          QG2    13 TYRF HN    15216.67
 30 PHEF         HE1    30 PHEF HN    41505.56
 30 PHEF         HQD2   31 GLU  HN     7479.44
  8 VAL          HB      9 CYSS HN    98927.78
 39 CYSS         HB2    44 ALA  HN    28144.45
  6 CYSS         HB3     9 CYSS HN    35466.67
  8 VAL          QG1     9 CYSS HN    33500.00
 28 THR          QG2    29 LYS  HN    34961.11
 33 LEU          QD2    13 TYRF HH    39725.00
 28 THR          HB     13 TYRF HH    55400.00
 28 THR          QG2    13 TYRF HH    17225.00
 28 THR          HN     27 GLY  HN    69919.76
 49 PHEF         HQE1   39 CYSS HN    15277.78
  7 THR          HN      8 VAL  HN    62006.18
 18 GLY          HA1    13 TYRF HQE1  15895.00
 15 FPR          HA     13 TYRF HH    30823.50
 15 FPR          HA     18 GLY  HN     9472.22
 15 FPR          HA     13 TYRF HQE2  19545.00
  4 TYRF         HA     52 GLN  HN    69111.12
 49 PHEF         HA      7 THR  HN    29977.78
 46 LYS          HA     49 PHEF HQD1  22850.00
 49 PHEF         HA     49 PHEF HD1   18995.50
  5 VAL          HA     49 PHEF HQD2   5750.00
 49 PHEF         HQD1   49 PHEF HN    44888.89
 38 ALA          HA     37 TRP  HE3    9750.00
 46 LYS          HA     37 TRP  HE3    3662.50
 46 LYS          HA     30 PHEF HZ    16015.00
 49 PHEF         HB2    30 PHEF HZ    40820.00
 49 PHEF         HB3    30 PHEF HZ    19935.00
 46 LYS          HG3    30 PHEF HZ    26690.00
 46 LYS          HG2    30 PHEF HZ    33380.00
 39 CYSS         HA     37 TRP  HH2   21700.00
  6 CYSS         HB2    49 PHEF HZ    57205.00
  6 CYSS         HB2    49 PHEF HE1   52290.00
 49 PHEF         HB2    49 PHEF HD1   59615.00
  4 TYRF         HB3    49 PHEF HQD2  52850.00
  6 CYSS         HA     49 PHEF HD1   12595.00
 48 ALA          QB     49 PHEF HQD1   9055.00
 48 ALA          QB      8 VAL  HN    11450.56
 48 ALA          QB      7 THR  HN    35733.34
 49 PHEF         HB2     4 TYRF HQD2   3955.00
 49 PHEF         HB3    30 PHEF HQE1   9450.00
 46 LYS          HG2    30 PHEF HQE1   8030.00
 46 LYS          HB3    37 TRP  HE3   11765.00
 46 LYS          HB2    37 TRP  HE3   33035.00
 33 LEU          QD1    37 TRP  HE3   14790.00
 46 LYS          HG3    37 TRP  HE3   34130.00
 46 LYS          HD2    37 TRP  HE3    5467.50
 37 TRP          HB3    37 TRP  HE3   64605.00
 37 TRP          HB2    37 TRP  HE3   11355.00
 46 LYS          HA     37 TRP  HZ3   13384.00
 33 LEU          QD1    13 TYRF HD1   13290.00
 33 LEU          QD1    37 TRP  HH2    4961.50
 33 LEU          QD1    30 PHEF HQD1  32250.00
 33 LEU          QD1    37 TRP  HZ3    7400.00
 33 LEU          QD2    13 TYRF HQE1  12200.00
 33 LEU          QD2    13 TYRF HQD1   2965.00
 24 ILE          QG2    13 TYRF HQE1  14750.00
 24 ILE          QG2    28 THR  HG1   32516.67
 24 ILE          QG2    28 THR  HN     7805.56
 28 THR          HG1    25 LYS  HN    32049.38
 33 LEU          QD2    37 TRP  HD1    9430.00
 24 ILE          QD1    37 TRP  HD1   15230.00
 24 ILE          HG13   37 TRP  HD1   17895.00
 30 PHEF         HB3    30 PHEF HQD2  62000.00
  4 TYRF         HB2    30 PHEF HQD1  21350.00
 30 PHEF         HB2    30 PHEF HQD1  39650.00
 30 PHEF         HA     30 PHEF HQD1  25750.00
 31 GLU          HA     30 PHEF HQD2   5550.00
  4 TYRF         HB3    30 PHEF HQD1   7345.00
 30 PHEF         HB3     4 TYRF HQE1  14050.00
 30 PHEF         HB3     4 TYRF HQD1   9250.00
 30 PHEF         HB2     4 TYRF HQE1  21800.00
 30 PHEF         HB2     4 TYRF HQD1  24400.00
 30 PHEF         HB3    13 TYRF HQE2  23600.00
 30 PHEF         HB2    13 TYRF HQE2   2160.00
 24 ILE          HB     13 TYRF HQE1   4970.00
 19 ASP          HB3    13 TYRF HQE1   5522.00
 19 ASP          HB2    13 TYRF HQE1  11080.00
 30 PHEF         HA     13 TYRF HQE2  10800.00
 18 GLY          HA2    13 TYRF HQE1   2360.00
 29 LYS          HA     13 TYRF HQE2   5450.00
 11 TYRF         HB2    11 TYRF HQD1 136500.00
 40 FPR          HD2    11 TYRF HQE2  18400.00
 11 TYRF         HA     11 TYRF HQD1  19300.00
 39 CYSS         HA     49 PHEF HZ    72605.00
 39 CYSS         HA     49 PHEF HQE1   8110.00
 39 CYSS         HB3    43 GLY  HN    96333.34
 39 CYSS         HB2    43 GLY  HN    11238.89
 30 PHEF         HB3    13 TYRF HQD2   6365.00
 30 PHEF         HB2    13 TYRF HQD2  24150.00
 49 PHEF         HB3    50 GLU  HN    31116.67
 24 ILE          HB     19 ASP  HN   156055.56
 48 ALA          QB     45 SER  HN    11400.00
 39 CYSS         HB3    42 CYSS HN    38000.00
 39 CYSS         HB2    42 CYSS HN     8501.67
 29 LYS          HB2    31 GLU  HN    10276.67
 29 LYS          HB2    30 PHEF HN    12822.22
 17 LYS          HB2    14 ASP  HN    25933.33
 24 ILE          QG2    25 LYS  HN    37488.89
 33 LEU          QD2    34 FPR  HD2   48070.00
 33 LEU          HB3    34 FPR  HD2   79255.00
 33 LEU          QD1    30 PHEF HA    92340.00
 33 LEU          HB3    37 TRP  HB2   25625.00
 33 LEU          HB3    37 TRP  HB3   34695.00
 33 LEU          QD2    24 ILE  QG2  146850.00
 33 LEU          QD2    24 ILE  HG13 170345.00
 33 LEU          QD2    28 THR  QG2   74540.00
 10 GLY          HN      9 CYSS HN   137407.42
 49 PHEF         HQD1   48 ALA  HN     9855.56
 38 ALA          QB     39 CYSS HN    54127.78
  4 TYRF         HN     13 TYRF HN    26790.13
 51 LYS          HA      4 TYRF HQD2  13341.00
  4 TYRF         HA      4 TYRF HE1    1252.50
 51 LYS          HB3     4 TYRF HQE2   9530.00
 51 LYS          HG2     4 TYRF HQE2   4905.00
 12 GLU          HA      6 CYSS HN    11800.00
 49 PHEF         HZ      6 CYSS HN     6275.56
  6 CYSS         HA      8 VAL  HN    17027.78
  7 THR          QG2     7 THR  HN    47777.78
 10 GLY          HN      8 VAL  HN    13129.63
 44 ALA          QB      8 VAL  HB    57190.00
 13 TYRF         HQE1   19 ASP  HN     1872.22
 13 TYRF         HQD1   14 ASP  HN     4322.22
 15 FPR          HA     27 GLY  HN     5186.67
  3 ILE          QG2     4 TYRF HN    54044.45
 14 ASP          HB3    17 LYS  HN    19175.00
 16 ALA          HA     27 GLY  HN    14993.89
 16 ALA          QB     17 LYS  HN    37816.67
 17 LYS          HB2    18 GLY  HN    28522.22
 18 GLY          HN     27 GLY  HN    12891.98
 18 GLY          HA2    27 GLY  HN    48863.89
 20 FPR          HD3    19 ASP  HA    18925.00
 20 FPR          HD2    19 ASP  HA    15941.00
 19 ASP          HB3    24 ILE  HN    17433.33
 24 ILE          QD1    25 LYS  HN    11935.56
 28 THR          QG2    32 ASP  HN    10303.33
 41 VAL          QG2    11 TYRF HQD1  43000.00
 41 VAL          HB     11 TYRF HQD1   3881.50
 32 ASP          HB2    29 LYS  HN    25427.78
 46 LYS          HG3    30 PHEF HE1   29942.50
 46 LYS          HD2    30 PHEF HE1    1665.00
 42 CYSS         HB2    44 ALA  HN    10088.33
 46 LYS          HA     48 ALA  HN     4922.22
 51 LYS          HA     52 GLN  HN    72505.56
 51 LYS          HG2    52 GLN  HN    19277.78
 37 TRP          HA     37 TRP  HD1   31165.00
 40 FPR          HD3    37 TRP  HZ2   55875.00
 40 FPR          HD3    11 TYRF HQE2   5765.00
 40 FPR          HD3    37 TRP  HH2   19615.00
 40 FPR          HD2    37 TRP  HZ2   10204.50
 40 FPR          HD2    37 TRP  HH2   13010.00
 41 VAL          QG2    11 TYRF HE1   11965.00
 40 FPR          HG3    37 TRP  HZ2   38930.50
 40 FPR          HG3    11 TYRF HE1    9019.00
 40 FPR          HB2    11 TYRF HE1   14740.00
  7 THR          HN      9 CYSS HN    11962.96
  5 VAL          QG2     6 CYSS HN    32966.67
 39 CYSS         HB2    41 VAL  HN     8157.78
 40 FPR          HB2    41 VAL  HN    20088.89
 40 FPR          HA     41 VAL  HN    10561.11
 43 GLY          HN     41 VAL  HN    17506.17
 42 CYSS         HN     44 ALA  HN    10218.52
 46 LYS          HA     49 PHEF HQE1   4425.00
 25 LYS          HB3    28 THR  HG1   12650.00
 25 LYS          HB2    28 THR  HG1    9483.33
 44 ALA          QB     39 CYSS HN    12444.45
 44 ALA          QB     49 PHEF HQE1  11015.00
 44 ALA          QB     49 PHEF HQD1   2405.00
 28 THR          QG2    13 TYRF HE1    4829.00
 49 PHEF         HA     49 PHEF HE1     571.00
 18 GLY          HA1    13 TYRF HH    55400.00
  4 TYRF         HB2     4 TYRF HE1   10470.00
  4 TYRF         HB3     4 TYRF HE1    2979.50
  4 TYRF         HA      4 TYRF HB3   32985.00
  5 VAL          HA      5 VAL  QG2   12080.00
  9 CYSS         HA     11 TYRF HN     2282.22
 19 ASP          HA     19 ASP  HB2   26705.00
 19 ASP          HA     19 ASP  HB3   10310.00
 27 GLY          HN     27 GLY  HA2   50683.34
 31 GLU          HN     30 PHEF HB3   15511.11
 34 FPR          HD3    33 LEU  HB3   11733.50
 34 FPR          HD3    33 LEU  QD2   19185.00
 24 ILE          HG12   33 LEU  QD2    1643.00
 24 ILE          HB     33 LEU  QD2    3309.00
 34 FPR          HD3    24 ILE  QD1   20070.00
 33 LEU          HG     30 PHEF HA   135600.00
 37 TRP          HA     37 TRP  HB2   34475.00
  4 TYRF         HN     13 TYRF HQD2   1322.22
 13 TYRF         HH     13 TYRF HD1    4218.50
 15 FPR          HB2    13 TYRF HQE2  15250.00
 15 FPR          HA     15 FPR  HB2   43695.00
 28 THR          QG2    32 ASP  HB2   68050.00
 28 THR          QG2    32 ASP  HB3   23255.00
 39 CYSS         HA     40 FPR  HD3  136080.00
 33 LEU          HA     33 LEU  HG    26395.00
  4 TYRF         HA     51 LYS  HA    24745.00
 13 TYRF         HB3    13 TYRF HN    33277.78
 13 TYRF         HB3     4 TYRF HN     9838.89
 13 TYRF         HB3    13 TYRF HD1   67500.00
 13 TYRF         HB3    11 TYRF HQE2  24800.00
 46 LYS          HD2    33 LEU  QD1   12775.00
 26 FPR          HB2    27 GLY  HN     5511.11
 46 LYS          HB2    30 PHEF HZ     5772.50
 24 ILE          HA     24 ILE  QD1   52600.00
 24 ILE          HA     24 ILE  QG2   43435.00
 24 ILE          QG2    13 TYRF HH    29630.00
 41 VAL          QG1    42 CYSS HN    13858.89
 41 VAL          QG2    11 TYRF HN    10513.89
  8 VAL          QG2     7 THR  HN    12076.67
  3 ILE          HB      3 ILE  HN   100433.34
 46 LYS          HD2    33 LEU  HB3   20390.00
  3 ILE          HG12   15 FPR  HD3    2422.00
  3 ILE          HG12   15 FPR  HD2   10614.50
 24 ILE          QG2    28 THR  HB   116405.00
  8 VAL          QG1     8 VAL  HA   112105.00
 41 VAL          QG2    41 VAL  HA    80185.00
 41 VAL          QG2    11 TYRF HB2   67325.00
 20 FPR          HA     23 GLY  HN     7461.11
 34 FPR          HB2    37 TRP  HN    23316.67
  6 CYSS         HB2    11 TYRF HQD2  18350.00
 39 CYSS         HN     49 PHEF HZ     7152.78
  5 VAL          HA     49 PHEF HE1    5470.00
  8 VAL          QG1     9 CYSS HB3   48440.00
 39 CYSS         HB2    37 TRP  HZ3    4226.00
  4 TYRF         HB3     5 VAL  HN    24038.89
  4 TYRF         HB3    50 GLU  HN     3131.67
 39 CYSS         HA     11 TYRF HQD2   9385.00
 46 LYS          HG3    37 TRP  HZ3    2225.00
  8 VAL          QG2    44 ALA  QB   113470.00
 38 ALA          QB     43 GLY  HA1   36890.00
  9 CYSS         HB2    11 TYRF HN     8298.33
  9 CYSS         HB3    10 GLY  HN     2576.11
  2 ASP          HN      2 ASP  HB2   10183.33
  3 ILE          HN      2 ASP  HB2    3584.44
  3 ILE          HB      4 TYRF HN    10716.67
 12 GLU          HG3     4 TYRF HN      876.11
  5 VAL          HN     52 GLN  HN    14092.59
 12 GLU          HN      6 CYSS HN     7941.36
 11 TYRF         HB3    12 GLU  HN     9094.45
 12 GLU          HB3    13 TYRF HN    12922.22
 15 FPR          HD3    13 TYRF HQD2   3045.00
 19 ASP          HB3    24 ILE  HG13  24715.00
 47 ASP          HB2    48 ALA  HN    16511.11
 51 LYS          HB3    52 GLN  HN    15955.56
 38 ALA          QB     46 LYS  HN     6316.67
 38 ALA          QB     45 SER  HN     4642.78
  4 TYRF         HD1    13 TYRF HD1   15385.00
 13 TYRF         HB2    30 PHEF HE1   10320.00
  7 THR          QG2    50 GLU  HN     9977.22
  2 ASP          HB2     4 TYRF HQE1  15070.00
 37 TRP          HZ3    39 CYSS HN     2886.11
 37 TRP          HZ3    30 PHEF HZ     8072.00
 15 FPR          HG2     2 ASP  HN    10170.56
 12 GLU          HB2     5 VAL  HA     4126.50
 12 GLU          HG3     5 VAL  HA     1894.50
 12 GLU          HG2     5 VAL  HA      171.50
  5 VAL          HA     12 GLU  HB3    1924.00
 34 FPR          HA     35 ASP  HN    20277.78
 33 LEU          QD2    24 ILE  QD1  106125.00
 34 FPR          HD2    33 LEU  HA    95100.00
 27 GLY          HN     17 LYS  HA     3713.33
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1          1H        MET   1  -7.575  10.649  -1.941
    2    H2   MET   1          2H        MET   1  -6.346  11.477  -1.202
    3    H3   MET   1          3H        MET   1  -7.575  12.305  -1.941
    4    HA   MET   1           HA       MET   1  -6.845  12.053  -3.933
    5   1HB   MET   1          1HB       MET   1  -4.518  11.891  -2.002
    6   2HB   MET   1          2HB       MET   1  -4.152  11.713  -3.707
    7   1HG   MET   1          1HG       MET   1  -4.201  13.977  -3.894
    8   2HG   MET   1          2HG       MET   1  -5.926  13.922  -3.590
    9   1HE   MET   1          1HE       MET   1  -2.623  13.412  -2.109
   10   2HE   MET   1          2HE       MET   1  -2.406  15.066  -1.489
   11   3HE   MET   1          3HE       MET   1  -2.801  13.740  -0.369
   12    H    ASP   2           H        ASP   2  -5.065   9.504  -2.032
   13    HA   ASP   2           HA       ASP   2  -6.139   7.387  -3.358
   14   1HB   ASP   2          1HB       ASP   2  -4.551   8.713  -5.168
   15   2HB   ASP   2          2HB       ASP   2  -3.367   7.632  -4.460
   16    H    ILE   3           H        ILE   3  -5.405   8.001  -0.724
   17    HA   ILE   3           HA       ILE   3  -2.899   6.558  -0.268
   18    HB   ILE   3           HB       ILE   3  -4.523   8.403   1.483
   19   1HG1  ILE   3          1HG1      ILE   3  -1.686   8.954   0.811
   20   2HG1  ILE   3          2HG1      ILE   3  -2.821   9.086  -0.519
   21   1HG2  ILE   3          1HG2      ILE   3  -3.532   6.558   2.793
   22   2HG2  ILE   3          2HG2      ILE   3  -1.928   6.989   2.153
   23   3HG2  ILE   3          3HG2      ILE   3  -2.817   8.142   3.178
   24   1HD1  ILE   3          1HD1      ILE   3  -4.254  10.607   0.861
   25   2HD1  ILE   3          2HD1      ILE   3  -3.060  10.501   2.177
   26   3HD1  ILE   3          3HD1      ILE   3  -2.613  11.255   0.628
   27    H    TYR   4           H        TYR   4  -2.812   4.833   1.173
   28    HA   TYR   4           HA       TYR   4  -5.416   3.661   1.985
   29   1HB   TYR   4          1HB       TYR   4  -3.196   2.262   0.458
   30   2HB   TYR   4          2HB       TYR   4  -4.577   1.444   1.207
   31    HD1  TYR   4           HD1      TYR   4  -3.650   3.982  -1.371
   32    HD2  TYR   4           HD2      TYR   4  -6.637   1.256   0.078
   33    HE1  TYR   4           HE1      TYR   4  -4.985   4.352  -3.428
   34    HE2  TYR   4           HE2      TYR   4  -7.972   1.626  -1.979
   35    HH   TYR   4           HH       TYR   4  -7.346   2.439  -4.529
   36    H    VAL   5           H        VAL   5  -5.365   3.039   4.130
   37    HA   VAL   5           HA       VAL   5  -2.694   2.484   5.225
   38    HB   VAL   5           HB       VAL   5  -3.722   4.716   5.839
   39   1HG1  VAL   5          1HG1      VAL   5  -5.678   2.876   7.241
   40   2HG1  VAL   5          2HG1      VAL   5  -5.415   4.567   7.730
   41   3HG1  VAL   5          3HG1      VAL   5  -6.027   4.197   6.100
   42   1HG2  VAL   5          1HG2      VAL   5  -2.630   2.643   7.655
   43   2HG2  VAL   5          2HG2      VAL   5  -2.053   4.292   7.309
   44   3HG2  VAL   5          3HG2      VAL   5  -3.397   4.039   8.449
   45    H    CYS   6           H        CYS   6  -2.591   0.821   6.836
   46    HA   CYS   6           HA       CYS   6  -4.588  -1.178   6.424
   47   1HB   CYS   6          1HB       CYS   6  -2.117  -1.606   6.607
   48   2HB   CYS   6          2HB       CYS   6  -2.232  -1.239   8.316
   49    H    THR   7           H        THR   7  -6.138  -1.894   7.957
   50    HA   THR   7           HA       THR   7  -6.599  -0.019  10.152
   51    HB   THR   7           HB       THR   7  -8.837  -1.397  10.132
   52    HG1  THR   7           HG1      THR   7  -9.027  -2.560   8.083
   53   1HG2  THR   7          1HG2      THR   7  -7.878   0.316   7.793
   54   2HG2  THR   7          2HG2      THR   7  -9.534  -0.333   7.863
   55   3HG2  THR   7          3HG2      THR   7  -8.964   0.790   9.121
   56    H    VAL   8           H        VAL   8  -4.868  -2.827   9.667
   57    HA   VAL   8           HA       VAL   8  -5.687  -4.110  12.124
   58    HB   VAL   8           HB       VAL   8  -3.390  -4.755  10.270
   59   1HG1  VAL   8          1HG1      VAL   8  -3.449  -5.762  12.603
   60   2HG1  VAL   8          2HG1      VAL   8  -4.927  -6.616  12.100
   61   3HG1  VAL   8          3HG1      VAL   8  -3.392  -6.920  11.252
   62   1HG2  VAL   8          1HG2      VAL   8  -6.271  -5.016   9.866
   63   2HG2  VAL   8          2HG2      VAL   8  -4.930  -5.230   8.716
   64   3HG2  VAL   8          3HG2      VAL   8  -5.428  -6.580   9.764
   65    H    CYS   9           H        CYS   9  -2.878  -2.276  10.780
   66    HA   CYS   9           HA       CYS   9  -1.953  -1.997  13.548
   67   1HB   CYS   9          1HB       CYS   9   0.290  -1.462  12.348
   68   2HB   CYS   9          2HB       CYS   9  -0.205  -3.122  12.608
   69    H    GLY  10           H        GLY  10  -1.668  -0.410  10.274
   70   1HA   GLY  10          2HA       GLY  10  -2.191   2.179  11.611
   71   2HA   GLY  10          1HA       GLY  10  -2.866   1.738  10.055
   72    H    TYR  11           H        TYR  11  -1.038   0.778   8.510
   73    HA   TYR  11           HA       TYR  11   1.252   2.687   8.602
   74   1HB   TYR  11          1HB       TYR  11   2.268   0.619   8.819
   75   2HB   TYR  11          2HB       TYR  11   1.029  -0.212   7.862
   76    HD1  TYR  11           HD1      TYR  11   4.074   1.884   7.712
   77    HD2  TYR  11           HD2      TYR  11   1.180  -0.351   5.459
   78    HE1  TYR  11           HE1      TYR  11   5.540   1.999   5.715
   79    HE2  TYR  11           HE2      TYR  11   2.645  -0.237   3.462
   80    HH   TYR  11           HH       TYR  11   5.163   0.091   2.970
   81    H    GLU  12           H        GLU  12   0.335   4.375   7.327
   82    HA   GLU  12           HA       GLU  12  -1.261   3.946   5.148
   83   1HB   GLU  12          1HB       GLU  12  -0.468   6.275   4.445
   84   2HB   GLU  12          2HB       GLU  12  -1.131   6.148   6.063
   85   1HG   GLU  12          1HG       GLU  12   1.054   6.186   7.081
   86   2HG   GLU  12          2HG       GLU  12   1.858   5.879   5.554
   87    H    TYR  13           H        TYR  13  -0.902   2.982   3.275
   88    HA   TYR  13           HA       TYR  13   1.599   1.985   2.440
   89   1HB   TYR  13          1HB       TYR  13  -0.419   1.001   1.633
   90   2HB   TYR  13          2HB       TYR  13  -0.997   2.545   0.985
   91    HD1  TYR  13           HD1      TYR  13   2.138   0.483   0.659
   92    HD2  TYR  13           HD2      TYR  13  -1.004   2.645  -1.318
   93    HE1  TYR  13           HE1      TYR  13   3.147  -0.062  -1.541
   94    HE2  TYR  13           HE2      TYR  13   0.005   2.100  -3.517
   95    HH   TYR  13           HH       TYR  13   2.482   1.462  -4.365
   96    H    ASP  14           H        ASP  14  -0.195   4.990   1.416
   97    HA   ASP  14           HA       ASP  14   0.454   6.717   0.271
   98   1HB   ASP  14          1HB       ASP  14   2.952   6.023   1.834
   99   2HB   ASP  14          2HB       ASP  14   3.022   7.336   0.675
  100    HA   PRO  15           HA       PRO  15   1.766   4.346  -3.396
  101   1HB   PRO  15          1HB       PRO  15   0.958   7.046  -4.527
  102   2HB   PRO  15          2HB       PRO  15   0.568   5.384  -5.079
  103   1HG   PRO  15          1HG       PRO  15  -1.233   6.802  -3.715
  104   2HG   PRO  15          2HG       PRO  15  -1.150   5.045  -3.361
  105   1HD   PRO  15          1HD       PRO  15  -0.048   7.420  -1.826
  106   2HD   PRO  15          2HD       PRO  15  -0.666   5.858  -1.207
  107    H    ALA  16           H        ALA  16   2.704   7.686  -2.367
  108    HA   ALA  16           HA       ALA  16   4.928   7.751  -4.160
  109   1HB   ALA  16          3HB       ALA  16   5.413   9.861  -3.072
  110   2HB   ALA  16          1HB       ALA  16   3.654   9.752  -3.317
  111   3HB   ALA  16          2HB       ALA  16   4.348   9.454  -1.706
  112    H    LYS  17           H        LYS  17   4.221   6.355  -1.038
  113    HA   LYS  17           HA       LYS  17   7.017   6.272  -0.283
  114   1HB   LYS  17          1HB       LYS  17   4.762   6.520   1.188
  115   2HB   LYS  17          2HB       LYS  17   4.958   4.781   1.258
  116   1HG   LYS  17          1HG       LYS  17   6.719   4.950   2.686
  117   2HG   LYS  17          2HG       LYS  17   7.540   6.094   1.643
  118   1HD   LYS  17          1HD       LYS  17   6.585   7.966   2.696
  119   2HD   LYS  17          2HD       LYS  17   5.173   7.079   3.236
  120   1HE   LYS  17          1HE       LYS  17   6.220   7.031   5.268
  121   2HE   LYS  17          2HE       LYS  17   7.173   5.730   4.582
  122    H    GLY  18           H        GLY  18   4.482   4.255  -1.747
  123   1HA   GLY  18          2HA       GLY  18   6.064   2.537  -3.093
  124   2HA   GLY  18          1HA       GLY  18   4.491   2.106  -2.452
  125    H    ASP  19           H        ASP  19   7.345   0.757  -2.700
  126    HA   ASP  19           HA       ASP  19   7.799   0.164   0.078
  127   1HB   ASP  19          1HB       ASP  19   7.378  -2.137  -1.860
  128   2HB   ASP  19          2HB       ASP  19   7.438  -2.198  -0.110
  129    HA   PRO  20           HA       PRO  20  11.823  -0.146  -1.865
  130   1HB   PRO  20          1HB       PRO  20  13.334  -0.257   0.359
  131   2HB   PRO  20          2HB       PRO  20  12.330   1.191   0.020
  132   1HG   PRO  20          1HG       PRO  20  11.476  -1.047   2.151
  133   2HG   PRO  20          2HG       PRO  20  11.607   0.724   1.898
  134   1HD   PRO  20          1HD       PRO  20   9.387  -1.082   1.253
  135   2HD   PRO  20          2HD       PRO  20   9.474   0.689   1.008
  136    H    ASP  21           H        ASP  21  10.913  -2.452   0.825
  137    HA   ASP  21           HA       ASP  21  12.643  -4.387  -0.447
  138   1HB   ASP  21          1HB       ASP  21  11.153  -4.302   2.208
  139   2HB   ASP  21          2HB       ASP  21  11.921  -5.770   1.637
  140    H    SER  22           H        SER  22  11.420  -5.141  -2.260
  141    HA   SER  22           HA       SER  22   9.727  -7.141  -2.048
  142   1HB   SER  22          1HB       SER  22   8.275  -4.625  -1.449
  143   2HB   SER  22          2HB       SER  22   7.507  -5.602  -2.685
  144    HG   SER  22           HG       SER  22   8.414  -7.017  -0.408
  145    H    GLY  23           H        GLY  23  10.609  -4.114  -3.634
  146   1HA   GLY  23          2HA       GLY  23  10.423  -5.458  -6.235
  147   2HA   GLY  23          1HA       GLY  23  11.394  -4.056  -5.833
  148    H    ILE  24           H        ILE  24   9.832  -2.152  -4.821
  149    HA   ILE  24           HA       ILE  24   7.784  -1.797  -6.888
  150    HB   ILE  24           HB       ILE  24   7.458  -0.975  -4.004
  151   1HG1  ILE  24          1HG1      ILE  24   7.519  -3.453  -4.262
  152   2HG1  ILE  24          2HG1      ILE  24   5.989  -2.831  -3.676
  153   1HG2  ILE  24          1HG2      ILE  24   6.292   0.281  -5.933
  154   2HG2  ILE  24          2HG2      ILE  24   5.294  -1.185  -6.086
  155   3HG2  ILE  24          3HG2      ILE  24   5.310  -0.273  -4.557
  156   1HD1  ILE  24          1HD1      ILE  24   6.346  -3.180  -6.654
  157   2HD1  ILE  24          2HD1      ILE  24   6.051  -4.617  -5.644
  158   3HD1  ILE  24          3HD1      ILE  24   4.863  -3.291  -5.674
  159    H    LYS  25           H        LYS  25   7.682   0.266  -7.793
  160    HA   LYS  25           HA       LYS  25   9.966   1.938  -7.127
  161   1HB   LYS  25          1HB       LYS  25   8.435   1.315  -9.527
  162   2HB   LYS  25          2HB       LYS  25   8.607   3.044  -9.308
  163   1HG   LYS  25          1HG       LYS  25  10.629   2.678 -10.350
  164   2HG   LYS  25          2HG       LYS  25  11.153   2.318  -8.717
  165   1HD   LYS  25          1HD       LYS  25  11.029  -0.040  -9.059
  166   2HD   LYS  25          2HD       LYS  25   9.989   0.122 -10.460
  167   1HE   LYS  25          1HE       LYS  25  12.593   1.510 -10.770
  168   2HE   LYS  25          2HE       LYS  25  12.755  -0.219 -10.535
  169    HA   PRO  26           HA       PRO  26   7.799   4.948  -4.852
  170   1HB   PRO  26          1HB       PRO  26   9.029   7.250  -5.823
  171   2HB   PRO  26          2HB       PRO  26   9.793   6.098  -4.680
  172   1HG   PRO  26          1HG       PRO  26  10.027   6.278  -7.602
  173   2HG   PRO  26          2HG       PRO  26  11.414   6.089  -6.481
  174   1HD   PRO  26          1HD       PRO  26  10.460   3.937  -7.765
  175   2HD   PRO  26          2HD       PRO  26  10.786   3.806  -6.010
  176    H    GLY  27           H        GLY  27   5.607   5.034  -5.494
  177   1HA   GLY  27          2HA       GLY  27   5.041   6.895  -7.703
  178   2HA   GLY  27          1HA       GLY  27   3.969   6.481  -6.380
  179    H    THR  28           H        THR  28   3.511   3.935  -6.236
  180    HA   THR  28           HA       THR  28   2.908   3.067  -8.987
  181    HB   THR  28           HB       THR  28   3.712   1.380  -6.558
  182    HG1  THR  28           HG1      THR  28   5.457   2.591  -7.582
  183   1HG2  THR  28          1HG2      THR  28   2.233   0.579  -8.801
  184   2HG2  THR  28          2HG2      THR  28   3.914   0.258  -9.292
  185   3HG2  THR  28          3HG2      THR  28   3.260  -0.490  -7.815
  186    H    LYS  29           H        LYS  29   0.855   2.403  -9.442
  187    HA   LYS  29           HA       LYS  29  -1.181   3.298  -7.769
  188   1HB   LYS  29          1HB       LYS  29  -1.300   1.298 -10.047
  189   2HB   LYS  29          2HB       LYS  29  -2.674   2.130  -9.346
  190   1HG   LYS  29          1HG       LYS  29  -0.288   3.635 -10.502
  191   2HG   LYS  29          2HG       LYS  29  -1.656   3.161 -11.489
  192   1HD   LYS  29          1HD       LYS  29  -2.486   4.483  -8.981
  193   2HD   LYS  29          2HD       LYS  29  -1.457   5.506  -9.963
  194   1HE   LYS  29          1HE       LYS  29  -3.358   6.016 -11.119
  195   2HE   LYS  29          2HE       LYS  29  -3.158   4.451 -11.882
  196    H    PHE  30           H        PHE  30  -2.523   2.302  -6.262
  197    HA   PHE  30           HA       PHE  30  -1.386   0.093  -4.911
  198   1HB   PHE  30          1HB       PHE  30  -2.738   2.029  -3.935
  199   2HB   PHE  30          2HB       PHE  30  -4.152   1.439  -4.785
  200    HD1  PHE  30           HD1      PHE  30  -1.694   0.533  -2.160
  201    HD2  PHE  30           HD2      PHE  30  -5.524  -0.212  -3.828
  202    HE1  PHE  30           HE1      PHE  30  -2.266  -0.923  -0.197
  203    HE2  PHE  30           HE2      PHE  30  -6.096  -1.667  -1.865
  204    HZ   PHE  30           HZ       PHE  30  -4.460  -2.005  -0.073
  205    H    GLU  31           H        GLU  31  -3.140   0.228  -7.781
  206    HA   GLU  31           HA       GLU  31  -4.526  -2.259  -7.199
  207   1HB   GLU  31          1HB       GLU  31  -5.785  -1.817  -9.287
  208   2HB   GLU  31          2HB       GLU  31  -5.908  -0.470  -8.172
  209   1HG   GLU  31          1HG       GLU  31  -4.962   0.945  -9.673
  210   2HG   GLU  31          2HG       GLU  31  -3.565  -0.098  -9.854
  211    H    ASP  32           H        ASP  32  -1.779  -0.863  -8.858
  212    HA   ASP  32           HA       ASP  32  -1.540  -3.064 -10.668
  213   1HB   ASP  32          1HB       ASP  32   0.342  -0.757  -9.986
  214   2HB   ASP  32          2HB       ASP  32   0.648  -1.925 -11.255
  215    H    LEU  33           H        LEU  33  -1.048  -2.614  -7.383
  216    HA   LEU  33           HA       LEU  33   1.530  -3.542  -6.917
  217   1HB   LEU  33          1HB       LEU  33  -1.017  -3.630  -5.311
  218   2HB   LEU  33          2HB       LEU  33   0.499  -4.257  -4.693
  219    HG   LEU  33           HG       LEU  33   0.138  -1.405  -5.644
  220   1HD1  LEU  33          1HD1      LEU  33  -1.370  -1.893  -3.753
  221   2HD1  LEU  33          2HD1      LEU  33   0.029  -2.439  -2.797
  222   3HD1  LEU  33          3HD1      LEU  33  -0.081  -0.742  -3.324
  223   1HD2  LEU  33          1HD2      LEU  33   2.431  -2.965  -4.891
  224   2HD2  LEU  33          2HD2      LEU  33   2.344  -1.280  -5.459
  225   3HD2  LEU  33          3HD2      LEU  33   2.194  -1.643  -3.723
  226    HA   PRO  34           HA       PRO  34   1.936  -7.699  -8.073
  227   1HB   PRO  34          1HB       PRO  34   2.625  -8.110  -5.135
  228   2HB   PRO  34          2HB       PRO  34   3.450  -8.693  -6.617
  229   1HG   PRO  34          1HG       PRO  34   4.400  -6.432  -5.282
  230   2HG   PRO  34          2HG       PRO  34   4.333  -6.759  -7.044
  231   1HD   PRO  34          1HD       PRO  34   2.564  -5.002  -5.294
  232   2HD   PRO  34          2HD       PRO  34   3.142  -4.716  -6.963
  233    H    ASP  35           H        ASP  35   1.022  -9.949  -7.532
  234    HA   ASP  35           HA       ASP  35  -1.599  -9.526  -6.385
  235   1HB   ASP  35          1HB       ASP  35  -0.498 -11.956  -7.870
  236   2HB   ASP  35          2HB       ASP  35  -2.180 -11.665  -7.475
  237    H    ASP  36           H        ASP  36   1.105  -9.910  -4.905
  238    HA   ASP  36           HA       ASP  36   0.127 -12.008  -3.177
  239   1HB   ASP  36          1HB       ASP  36   1.850 -13.006  -4.740
  240   2HB   ASP  36          2HB       ASP  36   3.019 -11.841  -4.149
  241    H    TRP  37           H        TRP  37   0.555  -8.912  -3.390
  242    HA   TRP  37           HA       TRP  37   2.577  -8.401  -1.402
  243   1HB   TRP  37          1HB       TRP  37   2.165  -6.909  -3.343
  244   2HB   TRP  37          2HB       TRP  37   0.584  -6.527  -2.689
  245    HD1  TRP  37           HD1      TRP  37   4.307  -5.802  -2.073
  246    HE1  TRP  37           HE1      TRP  37   4.632  -3.795  -0.390
  247    HE3  TRP  37           HE3      TRP  37  -0.591  -5.418  -0.764
  248    HZ2  TRP  37           HZ2      TRP  37   2.845  -2.306   1.262
  249    HZ3  TRP  37           HZ3      TRP  37  -1.217  -3.661   0.890
  250    HH2  TRP  37           HH2      TRP  37   0.409  -2.137   1.894
  251    H    ALA  38           H        ALA  38   2.146  -7.659   0.751
  252    HA   ALA  38           HA       ALA  38  -0.600  -7.539   1.628
  253   1HB   ALA  38          1HB       ALA  38   1.323  -9.690   2.601
  254   2HB   ALA  38          3HB       ALA  38  -0.210  -9.941   1.732
  255   3HB   ALA  38          2HB       ALA  38  -0.222  -9.282   3.385
  256    H    CYS  39           H        CYS  39  -0.773  -6.586   3.784
  257    HA   CYS  39           HA       CYS  39   0.790  -4.469   4.232
  258   1HB   CYS  39          1HB       CYS  39  -1.310  -4.920   5.398
  259   2HB   CYS  39          2HB       CYS  39  -0.540  -6.176   6.346
  260    HA   PRO  40           HA       PRO  40   4.645  -6.704   5.054
  261   1HB   PRO  40          1HB       PRO  40   5.786  -3.981   4.658
  262   2HB   PRO  40          2HB       PRO  40   6.063  -5.501   3.746
  263   1HG   PRO  40          1HG       PRO  40   4.560  -3.425   2.523
  264   2HG   PRO  40          2HG       PRO  40   4.488  -5.215   2.428
  265   1HD   PRO  40          1HD       PRO  40   2.881  -3.302   4.226
  266   2HD   PRO  40          2HD       PRO  40   2.248  -4.506   3.063
  267    H    VAL  41           H        VAL  41   2.831  -4.335   6.756
  268    HA   VAL  41           HA       VAL  41   4.889  -3.830   8.721
  269    HB   VAL  41           HB       VAL  41   1.962  -3.072   8.615
  270   1HG1  VAL  41          1HG1      VAL  41   3.283  -3.125  10.881
  271   2HG1  VAL  41          2HG1      VAL  41   4.037  -1.640  10.252
  272   3HG1  VAL  41          3HG1      VAL  41   2.272  -1.719  10.469
  273   1HG2  VAL  41          1HG2      VAL  41   4.288  -2.043   7.214
  274   2HG2  VAL  41          2HG2      VAL  41   2.569  -1.620   7.029
  275   3HG2  VAL  41          3HG2      VAL  41   3.562  -0.796   8.256
  276    H    CYS  42           H        CYS  42   1.495  -5.133   8.892
  277    HA   CYS  42           HA       CYS  42   2.392  -6.748  11.144
  278   1HB   CYS  42          1HB       CYS  42   0.028  -7.035  11.659
  279   2HB   CYS  42          2HB       CYS  42   0.488  -5.345  11.599
  280    H    GLY  43           H        GLY  43   0.668  -6.858   7.962
  281   1HA   GLY  43          2HA       GLY  43   0.923  -9.795   7.966
  282   2HA   GLY  43          1HA       GLY  43   1.598  -8.851   6.653
  283    H    ALA  44           H        ALA  44  -1.396  -7.950   8.409
  284    HA   ALA  44           HA       ALA  44  -3.427  -9.075   7.286
  285   1HB   ALA  44          1HB       ALA  44  -3.180  -6.786   8.577
  286   2HB   ALA  44          2HB       ALA  44  -3.336  -6.081   6.950
  287   3HB   ALA  44          3HB       ALA  44  -4.635  -7.108   7.603
  288    H    SER  45           H        SER  45  -4.348  -9.545   5.319
  289    HA   SER  45           HA       SER  45  -2.802  -9.358   3.061
  290   1HB   SER  45          1HB       SER  45  -5.231 -10.553   3.801
  291   2HB   SER  45          2HB       SER  45  -5.693  -9.472   2.501
  292    HG   SER  45           HG       SER  45  -4.210 -11.834   2.411
  293    H    LYS  46           H        LYS  46  -4.221  -8.389   0.909
  294    HA   LYS  46           HA       LYS  46  -4.120  -5.532   1.419
  295   1HB   LYS  46          1HB       LYS  46  -2.868  -6.695  -0.469
  296   2HB   LYS  46          2HB       LYS  46  -4.422  -6.946  -1.239
  297   1HG   LYS  46          1HG       LYS  46  -4.828  -4.426  -1.040
  298   2HG   LYS  46          2HG       LYS  46  -3.172  -4.264  -0.489
  299   1HD   LYS  46          1HD       LYS  46  -2.567  -4.121  -2.674
  300   2HD   LYS  46          2HD       LYS  46  -2.920  -5.833  -2.802
  301   1HE   LYS  46          1HE       LYS  46  -5.460  -4.753  -3.019
  302   2HE   LYS  46          2HE       LYS  46  -4.497  -3.497  -3.771
  303    H    ASP  47           H        ASP  47  -6.290  -6.893   2.669
  304    HA   ASP  47           HA       ASP  47  -8.451  -5.736   1.102
  305   1HB   ASP  47          1HB       ASP  47  -8.142  -8.501   2.133
  306   2HB   ASP  47          2HB       ASP  47  -9.661  -7.762   2.598
  307    H    ALA  48           H        ALA  48  -6.561  -5.319   3.687
  308    HA   ALA  48           HA       ALA  48  -8.727  -4.876   5.614
  309   1HB   ALA  48          2HB       ALA  48  -6.714  -4.627   7.198
  310   2HB   ALA  48          3HB       ALA  48  -7.036  -6.255   6.555
  311   3HB   ALA  48          1HB       ALA  48  -5.729  -5.266   5.860
  312    H    PHE  49           H        PHE  49  -6.424  -3.357   3.449
  313    HA   PHE  49           HA       PHE  49  -6.286  -0.873   4.786
  314   1HB   PHE  49          1HB       PHE  49  -5.844  -1.936   1.945
  315   2HB   PHE  49          2HB       PHE  49  -5.614  -0.234   2.297
  316    HD1  PHE  49           HD1      PHE  49  -4.360  -3.625   2.987
  317    HD2  PHE  49           HD2      PHE  49  -3.681   0.534   3.480
  318    HE1  PHE  49           HE1      PHE  49  -2.012  -4.098   3.740
  319    HE2  PHE  49           HE2      PHE  49  -1.334   0.062   4.233
  320    HZ   PHE  49           HZ       PHE  49  -0.527  -2.248   4.354
  321    H    GLU  50           H        GLU  50  -7.287   1.160   4.180
  322    HA   GLU  50           HA       GLU  50  -9.583   0.919   2.446
  323   1HB   GLU  50          1HB       GLU  50 -11.007   2.128   4.181
  324   2HB   GLU  50          2HB       GLU  50 -10.637   0.454   4.546
  325   1HG   GLU  50          1HG       GLU  50  -8.977   1.051   6.172
  326   2HG   GLU  50          2HG       GLU  50  -8.870   2.700   5.587
  327    H    LYS  51           H        LYS  51  -9.647   2.661   1.084
  328    HA   LYS  51           HA       LYS  51  -7.748   4.563   0.954
  329   1HB   LYS  51          1HB       LYS  51  -9.373   4.096  -0.812
  330   2HB   LYS  51          2HB       LYS  51 -10.660   4.806   0.141
  331   1HG   LYS  51          1HG       LYS  51  -9.017   6.919   0.208
  332   2HG   LYS  51          2HG       LYS  51  -8.334   6.172  -1.223
  333   1HD   LYS  51          1HD       LYS  51 -10.979   5.985  -1.861
  334   2HD   LYS  51          2HD       LYS  51 -11.044   7.398  -0.826
  335   1HE   LYS  51          1HE       LYS  51  -9.156   8.412  -2.212
  336   2HE   LYS  51          2HE       LYS  51  -9.290   7.047  -3.303
  337    H    GLN  52           H        GLN  52  -7.014   5.662   2.732
  338    HA   GLN  52           HA       GLN  52  -7.039   6.890   4.542
  339   1HB   GLN  52          1HB       GLN  52  -7.439   8.550   2.677
  340   2HB   GLN  52          2HB       GLN  52  -9.153   8.493   3.038
  341   1HG   GLN  52          1HG       GLN  52  -7.756   8.925   5.524
  342   2HG   GLN  52          2HG       GLN  52  -7.096  10.043   4.347
  343   2HE2  GLN  52          2HE2      GLN  52  -8.314  11.216   6.299
  344   1HE2  GLN  52          1HE2      GLN  52  -9.892  11.807   5.899

  No H/Q in entry =         344
  Start of MODEL    2
    1    H1   MET   1          1H        MET   1  -2.480  11.149  -3.380
    2    H2   MET   1          2H        MET   1  -2.305  12.387  -4.466
    3    H3   MET   1          3H        MET   1  -3.279  12.579  -3.140
    4    HA   MET   1           HA       MET   1  -4.605  12.299  -4.967
    5   1HB   MET   1          1HB       MET   1  -2.791   9.880  -5.388
    6   2HB   MET   1          2HB       MET   1  -4.387   9.910  -6.111
    7   1HG   MET   1          1HG       MET   1  -3.813  12.097  -7.230
    8   2HG   MET   1          2HG       MET   1  -2.203  12.006  -6.546
    9   1HE   MET   1          1HE       MET   1  -0.723  11.881  -7.907
   10   2HE   MET   1          2HE       MET   1  -0.196  10.398  -8.739
   11   3HE   MET   1          3HE       MET   1  -1.082  11.654  -9.635
   12    H    ASP   2           H        ASP   2  -3.492   9.301  -3.221
   13    HA   ASP   2           HA       ASP   2  -5.846   9.354  -1.645
   14   1HB   ASP   2          1HB       ASP   2  -6.466   6.944  -2.372
   15   2HB   ASP   2          2HB       ASP   2  -6.948   8.254  -3.433
   16    H    ILE   3           H        ILE   3  -5.356   8.281   0.319
   17    HA   ILE   3           HA       ILE   3  -2.870   6.717   0.309
   18    HB   ILE   3           HB       ILE   3  -4.043   8.676   2.237
   19   1HG1  ILE   3          1HG1      ILE   3  -1.276   8.839   2.245
   20   2HG1  ILE   3          2HG1      ILE   3  -1.637   8.403   0.586
   21   1HG2  ILE   3          1HG2      ILE   3  -3.779   6.656   3.571
   22   2HG2  ILE   3          2HG2      ILE   3  -2.107   6.470   2.991
   23   3HG2  ILE   3          3HG2      ILE   3  -2.547   7.865   4.005
   24   1HD1  ILE   3          1HD1      ILE   3  -3.311  10.551   1.886
   25   2HD1  ILE   3          2HD1      ILE   3  -1.659  10.953   1.359
   26   3HD1  ILE   3          3HD1      ILE   3  -2.850  10.357   0.177
   27    H    TYR   4           H        TYR   4  -2.773   4.874   1.658
   28    HA   TYR   4           HA       TYR   4  -5.417   3.778   2.467
   29   1HB   TYR   4          1HB       TYR   4  -3.274   2.497   0.754
   30   2HB   TYR   4          2HB       TYR   4  -4.501   1.549   1.611
   31    HD1  TYR   4           HD1      TYR   4  -4.000   4.171  -0.987
   32    HD2  TYR   4           HD2      TYR   4  -6.708   1.333   0.765
   33    HE1  TYR   4           HE1      TYR   4  -5.582   4.521  -2.864
   34    HE2  TYR   4           HE2      TYR   4  -8.290   1.684  -1.112
   35    HH   TYR   4           HH       TYR   4  -7.486   3.675  -3.927
   36    H    VAL   5           H        VAL   5  -5.376   3.158   4.608
   37    HA   VAL   5           HA       VAL   5  -2.729   2.446   5.670
   38    HB   VAL   5           HB       VAL   5  -3.639   4.616   6.457
   39   1HG1  VAL   5          1HG1      VAL   5  -5.873   2.858   7.507
   40   2HG1  VAL   5          2HG1      VAL   5  -5.534   4.487   8.139
   41   3HG1  VAL   5          3HG1      VAL   5  -5.996   4.273   6.433
   42   1HG2  VAL   5          1HG2      VAL   5  -2.382   2.627   7.890
   43   2HG2  VAL   5          2HG2      VAL   5  -2.611   4.307   8.432
   44   3HG2  VAL   5          3HG2      VAL   5  -3.759   3.044   8.939
   45    H    CYS   6           H        CYS   6  -2.635   0.670   7.147
   46    HA   CYS   6           HA       CYS   6  -4.575  -1.320   6.564
   47   1HB   CYS   6          1HB       CYS   6  -2.159  -1.781   6.850
   48   2HB   CYS   6          2HB       CYS   6  -2.290  -1.368   8.547
   49    H    THR   7           H        THR   7  -6.036  -2.327   8.111
   50    HA   THR   7           HA       THR   7  -6.728  -0.519  10.323
   51    HB   THR   7           HB       THR   7  -8.951  -1.872  10.085
   52    HG1  THR   7           HG1      THR   7  -7.883  -3.558   8.778
   53   1HG2  THR   7          1HG2      THR   7  -7.947  -0.237   7.695
   54   2HG2  THR   7          2HG2      THR   7  -9.650  -0.648   8.011
   55   3HG2  THR   7          3HG2      THR   7  -8.771   0.425   9.127
   56    H    VAL   8           H        VAL   8  -4.587  -2.777  10.114
   57    HA   VAL   8           HA       VAL   8  -5.618  -4.331  12.385
   58    HB   VAL   8           HB       VAL   8  -3.445  -5.015  10.395
   59   1HG1  VAL   8          1HG1      VAL   8  -4.594  -6.470  12.781
   60   2HG1  VAL   8          2HG1      VAL   8  -3.811  -7.342  11.441
   61   3HG1  VAL   8          3HG1      VAL   8  -2.891  -6.143  12.381
   62   1HG2  VAL   8          1HG2      VAL   8  -6.342  -5.308  10.288
   63   2HG2  VAL   8          2HG2      VAL   8  -5.118  -5.580   9.024
   64   3HG2  VAL   8          3HG2      VAL   8  -5.512  -6.879  10.176
   65    H    CYS   9           H        CYS   9  -2.776  -2.581  11.000
   66    HA   CYS   9           HA       CYS   9  -1.813  -2.320  13.757
   67   1HB   CYS   9          1HB       CYS   9   0.451  -1.926  12.499
   68   2HB   CYS   9          2HB       CYS   9  -0.109  -3.540  12.890
   69    H    GLY  10           H        GLY  10  -1.266  -0.827  10.475
   70   1HA   GLY  10          2HA       GLY  10  -1.457   1.825  11.734
   71   2HA   GLY  10          1HA       GLY  10  -2.502   1.434  10.383
   72    H    TYR  11           H        TYR  11  -1.200   0.240   8.522
   73    HA   TYR  11           HA       TYR  11   1.412   1.594   8.118
   74   1HB   TYR  11          1HB       TYR  11   1.407  -0.838   7.901
   75   2HB   TYR  11          2HB       TYR  11   0.088  -0.754   6.721
   76    HD1  TYR  11           HD1      TYR  11   3.430   0.922   7.180
   77    HD2  TYR  11           HD2      TYR  11   0.743  -1.150   4.546
   78    HE1  TYR  11           HE1      TYR  11   5.086   1.109   5.343
   79    HE2  TYR  11           HE2      TYR  11   2.399  -0.964   2.710
   80    HH   TYR  11           HH       TYR  11   5.468  -0.459   2.964
   81    H    GLU  12           H        GLU  12   0.895   3.683   7.345
   82    HA   GLU  12           HA       GLU  12  -1.221   3.964   5.480
   83   1HB   GLU  12          1HB       GLU  12  -0.492   6.350   5.414
   84   2HB   GLU  12          2HB       GLU  12  -0.727   5.768   7.050
   85   1HG   GLU  12          1HG       GLU  12   1.999   5.195   6.335
   86   2HG   GLU  12          2HG       GLU  12   1.676   6.847   5.848
   87    H    TYR  13           H        TYR  13  -0.839   2.834   3.633
   88    HA   TYR  13           HA       TYR  13   1.720   2.814   2.296
   89   1HB   TYR  13          1HB       TYR  13   0.151   0.953   2.125
   90   2HB   TYR  13          2HB       TYR  13  -1.070   2.016   1.405
   91    HD1  TYR  13           HD1      TYR  13   2.093   0.211   0.841
   92    HD2  TYR  13           HD2      TYR  13  -0.898   2.749  -0.909
   93    HE1  TYR  13           HE1      TYR  13   2.981  -0.300  -1.418
   94    HE2  TYR  13           HE2      TYR  13  -0.011   2.238  -3.167
   95    HH   TYR  13           HH       TYR  13   2.475   1.401  -4.087
   96    H    ASP  14           H        ASP  14   2.417   4.018   0.466
   97    HA   ASP  14           HA       ASP  14   0.534   6.092  -0.337
   98   1HB   ASP  14          1HB       ASP  14   3.454   6.273   0.429
   99   2HB   ASP  14          2HB       ASP  14   2.840   7.379  -0.784
  100    HA   PRO  15           HA       PRO  15   1.656   4.561  -4.376
  101   1HB   PRO  15          1HB       PRO  15   0.339   6.338  -5.915
  102   2HB   PRO  15          2HB       PRO  15  -0.559   5.284  -4.775
  103   1HG   PRO  15          1HG       PRO  15   0.214   8.230  -4.241
  104   2HG   PRO  15          2HG       PRO  15  -1.302   7.285  -4.073
  105   1HD   PRO  15          1HD       PRO  15   0.618   7.737  -2.036
  106   2HD   PRO  15          2HD       PRO  15  -0.589   6.415  -2.034
  107    H    ALA  16           H        ALA  16   2.196   8.045  -3.498
  108    HA   ALA  16           HA       ALA  16   4.000   8.440  -5.669
  109   1HB   ALA  16          2HB       ALA  16   4.507  10.440  -3.846
  110   2HB   ALA  16          1HB       ALA  16   2.846   9.966  -3.414
  111   3HB   ALA  16          3HB       ALA  16   3.220  10.486  -5.075
  112    H    LYS  17           H        LYS  17   4.162   7.077  -2.437
  113    HA   LYS  17           HA       LYS  17   7.073   7.307  -2.449
  114   1HB   LYS  17          1HB       LYS  17   5.059   7.383  -0.414
  115   2HB   LYS  17          2HB       LYS  17   6.086   5.996  -0.113
  116   1HG   LYS  17          1HG       LYS  17   7.954   7.287   0.311
  117   2HG   LYS  17          2HG       LYS  17   7.539   8.483  -0.901
  118   1HD   LYS  17          1HD       LYS  17   6.550   9.827   0.642
  119   2HD   LYS  17          2HD       LYS  17   5.558   8.515   1.245
  120   1HE   LYS  17          1HE       LYS  17   8.381   8.214   2.047
  121   2HE   LYS  17          2HE       LYS  17   7.704   9.734   2.597
  122    H    GLY  18           H        GLY  18   4.413   4.863  -2.138
  123   1HA   GLY  18          2HA       GLY  18   5.943   2.973  -3.684
  124   2HA   GLY  18          1HA       GLY  18   4.335   2.766  -3.018
  125    H    ASP  19           H        ASP  19   6.770   0.960  -2.969
  126    HA   ASP  19           HA       ASP  19   7.331   0.945  -0.132
  127   1HB   ASP  19          1HB       ASP  19   6.065  -1.317  -1.730
  128   2HB   ASP  19          2HB       ASP  19   6.949  -1.633  -0.250
  129    HA   PRO  20           HA       PRO  20  10.927   0.069  -2.966
  130   1HB   PRO  20          1HB       PRO  20  12.315   2.000  -1.189
  131   2HB   PRO  20          2HB       PRO  20  12.041   2.047  -2.962
  132   1HG   PRO  20          1HG       PRO  20  10.605   3.872  -1.298
  133   2HG   PRO  20          2HG       PRO  20  10.078   3.125  -2.841
  134   1HD   PRO  20          1HD       PRO  20   9.622   2.165   0.044
  135   2HD   PRO  20          2HD       PRO  20   8.399   2.451  -1.231
  136    H    ASP  21           H        ASP  21  10.137  -1.846  -1.124
  137    HA   ASP  21           HA       ASP  21  12.615  -2.186   0.362
  138   1HB   ASP  21          1HB       ASP  21   9.755  -2.628   1.302
  139   2HB   ASP  21          2HB       ASP  21  11.093  -3.463   2.065
  140    H    SER  22           H        SER  22   9.508  -4.045  -0.053
  141    HA   SER  22           HA       SER  22  10.767  -6.470  -0.392
  142   1HB   SER  22          1HB       SER  22   8.165  -5.600  -0.099
  143   2HB   SER  22          2HB       SER  22   8.147  -6.142  -1.765
  144    HG   SER  22           HG       SER  22   7.713  -7.735   0.135
  145    H    GLY  23           H        GLY  23   9.375  -4.164  -2.830
  146   1HA   GLY  23          2HA       GLY  23  10.297  -5.753  -5.053
  147   2HA   GLY  23          1HA       GLY  23  11.283  -4.337  -4.744
  148    H    ILE  24           H        ILE  24   9.604  -2.331  -4.012
  149    HA   ILE  24           HA       ILE  24   7.821  -2.142  -6.333
  150    HB   ILE  24           HB       ILE  24   7.199  -1.119  -3.562
  151   1HG1  ILE  24          1HG1      ILE  24   7.150  -3.574  -3.620
  152   2HG1  ILE  24          2HG1      ILE  24   5.552  -2.889  -3.398
  153   1HG2  ILE  24          1HG2      ILE  24   6.323   0.033  -5.747
  154   2HG2  ILE  24          2HG2      ILE  24   5.215  -1.360  -5.795
  155   3HG2  ILE  24          3HG2      ILE  24   5.223  -0.278  -4.383
  156   1HD1  ILE  24          1HD1      ILE  24   6.059  -3.143  -6.239
  157   2HD1  ILE  24          2HD1      ILE  24   6.406  -4.694  -5.438
  158   3HD1  ILE  24          3HD1      ILE  24   4.805  -3.938  -5.257
  159    H    LYS  25           H        LYS  25   7.910  -0.204  -7.455
  160    HA   LYS  25           HA       LYS  25  10.065   1.562  -6.600
  161   1HB   LYS  25          1HB       LYS  25   8.951   0.673  -9.167
  162   2HB   LYS  25          2HB       LYS  25   9.227   2.402  -9.099
  163   1HG   LYS  25          1HG       LYS  25  11.505   2.165  -9.057
  164   2HG   LYS  25          2HG       LYS  25  11.444   0.841  -7.910
  165   1HD   LYS  25          1HD       LYS  25  10.350  -0.292 -10.227
  166   2HD   LYS  25          2HD       LYS  25  11.597   0.762 -10.862
  167   1HE   LYS  25          1HE       LYS  25  13.302  -0.514  -9.999
  168   2HE   LYS  25          2HE       LYS  25  12.464  -0.795  -8.485
  169    HA   PRO  26           HA       PRO  26   7.541   4.843  -5.261
  170   1HB   PRO  26          1HB       PRO  26   8.845   7.022  -6.358
  171   2HB   PRO  26          2HB       PRO  26   9.501   6.053  -4.998
  172   1HG   PRO  26          1HG       PRO  26  10.053   5.736  -7.990
  173   2HG   PRO  26          2HG       PRO  26  11.324   5.887  -6.733
  174   1HD   PRO  26          1HD       PRO  26  10.621   3.447  -7.552
  175   2HD   PRO  26          2HD       PRO  26  10.703   3.741  -5.789
  176    H    GLY  27           H        GLY  27   5.584   5.745  -5.967
  177   1HA   GLY  27          2HA       GLY  27   5.347   6.677  -8.698
  178   2HA   GLY  27          1HA       GLY  27   4.148   6.766  -7.424
  179    H    THR  28           H        THR  28   4.001   4.043  -6.599
  180    HA   THR  28           HA       THR  28   3.070   2.741  -9.074
  181    HB   THR  28           HB       THR  28   4.064   1.515  -6.447
  182    HG1  THR  28           HG1      THR  28   5.843   2.335  -7.610
  183   1HG2  THR  28          1HG2      THR  28   3.416   0.305  -9.187
  184   2HG2  THR  28          2HG2      THR  28   4.207  -0.564  -7.850
  185   3HG2  THR  28          3HG2      THR  28   2.526  -0.007  -7.678
  186    H    LYS  29           H        LYS  29   0.941   2.551  -9.330
  187    HA   LYS  29           HA       LYS  29  -0.855   3.506  -7.448
  188   1HB   LYS  29          1HB       LYS  29  -1.190   1.714  -9.863
  189   2HB   LYS  29          2HB       LYS  29  -2.547   2.280  -8.911
  190   1HG   LYS  29          1HG       LYS  29  -0.466   4.129 -10.169
  191   2HG   LYS  29          2HG       LYS  29  -1.998   3.733 -10.922
  192   1HD   LYS  29          1HD       LYS  29  -2.514   4.550  -8.193
  193   2HD   LYS  29          2HD       LYS  29  -1.466   5.743  -8.933
  194   1HE   LYS  29          1HE       LYS  29  -3.026   6.119 -10.756
  195   2HE   LYS  29          2HE       LYS  29  -3.982   4.718 -10.319
  196    H    PHE  30           H        PHE  30  -2.412   2.418  -6.087
  197    HA   PHE  30           HA       PHE  30  -1.232   0.205  -4.734
  198   1HB   PHE  30          1HB       PHE  30  -2.533   2.103  -3.672
  199   2HB   PHE  30          2HB       PHE  30  -3.959   1.625  -4.573
  200    HD1  PHE  30           HD1      PHE  30  -1.658   0.604  -1.874
  201    HD2  PHE  30           HD2      PHE  30  -5.360  -0.137  -3.810
  202    HE1  PHE  30           HE1      PHE  30  -2.333  -0.919   0.003
  203    HE2  PHE  30           HE2      PHE  30  -6.036  -1.661  -1.933
  204    HZ   PHE  30           HZ       PHE  30  -4.515  -2.033  -0.049
  205    H    GLU  31           H        GLU  31  -2.968   0.390  -7.599
  206    HA   GLU  31           HA       GLU  31  -4.415  -2.068  -7.048
  207   1HB   GLU  31          1HB       GLU  31  -5.433   0.090  -8.182
  208   2HB   GLU  31          2HB       GLU  31  -4.628  -0.493  -9.626
  209   1HG   GLU  31          1HG       GLU  31  -6.104  -2.224  -9.906
  210   2HG   GLU  31          2HG       GLU  31  -6.120  -2.618  -8.198
  211    H    ASP  32           H        ASP  32  -1.584  -0.758  -8.610
  212    HA   ASP  32           HA       ASP  32  -1.376  -2.941 -10.449
  213   1HB   ASP  32          1HB       ASP  32   0.612  -0.749  -9.688
  214   2HB   ASP  32          2HB       ASP  32   0.825  -1.871 -11.017
  215    H    LEU  33           H        LEU  33  -1.024  -2.630  -7.159
  216    HA   LEU  33           HA       LEU  33   1.523  -3.588  -6.595
  217   1HB   LEU  33          1HB       LEU  33  -1.107  -3.729  -5.135
  218   2HB   LEU  33          2HB       LEU  33   0.369  -4.394  -4.464
  219    HG   LEU  33           HG       LEU  33   0.159  -1.509  -5.339
  220   1HD1  LEU  33          1HD1      LEU  33  -1.603  -1.960  -3.682
  221   2HD1  LEU  33          2HD1      LEU  33  -0.377  -2.606  -2.565
  222   3HD1  LEU  33          3HD1      LEU  33  -0.332  -0.891  -3.042
  223   1HD2  LEU  33          1HD2      LEU  33   2.268  -3.177  -4.295
  224   2HD2  LEU  33          2HD2      LEU  33   2.330  -1.498  -4.884
  225   3HD2  LEU  33          3HD2      LEU  33   1.932  -1.830  -3.181
  226    HA   PRO  34           HA       PRO  34   1.969  -7.682  -7.948
  227   1HB   PRO  34          1HB       PRO  34   2.580  -8.228  -5.015
  228   2HB   PRO  34          2HB       PRO  34   3.452  -8.731  -6.499
  229   1HG   PRO  34          1HG       PRO  34   4.277  -6.585  -4.972
  230   2HG   PRO  34          2HG       PRO  34   4.399  -6.737  -6.756
  231   1HD   PRO  34          1HD       PRO  34   2.512  -5.099  -5.042
  232   2HD   PRO  34          2HD       PRO  34   3.142  -4.755  -6.682
  233    H    ASP  35           H        ASP  35   1.044  -9.953  -7.537
  234    HA   ASP  35           HA       ASP  35  -1.606  -9.587  -6.439
  235   1HB   ASP  35          1HB       ASP  35  -0.306 -11.532  -8.353
  236   2HB   ASP  35          2HB       ASP  35  -1.750 -12.047  -7.504
  237    H    ASP  36           H        ASP  36   1.015  -9.997  -4.867
  238    HA   ASP  36           HA       ASP  36   0.002 -12.155  -3.254
  239   1HB   ASP  36          1HB       ASP  36   2.481 -12.957  -3.016
  240   2HB   ASP  36          2HB       ASP  36   1.569 -13.469  -4.422
  241    H    TRP  37           H        TRP  37   0.442  -9.082  -3.314
  242    HA   TRP  37           HA       TRP  37   2.475  -8.682  -1.300
  243   1HB   TRP  37          1HB       TRP  37   2.131  -7.117  -3.197
  244   2HB   TRP  37          2HB       TRP  37   0.551  -6.715  -2.553
  245    HD1  TRP  37           HD1      TRP  37   4.286  -6.131  -1.839
  246    HE1  TRP  37           HE1      TRP  37   4.638  -4.184  -0.093
  247    HE3  TRP  37           HE3      TRP  37  -0.627  -5.613  -0.636
  248    HZ2  TRP  37           HZ2      TRP  37   2.862  -2.680   1.558
  249    HZ3  TRP  37           HZ3      TRP  37  -1.233  -3.882   1.052
  250    HH2  TRP  37           HH2      TRP  37   0.419  -2.444   2.137
  251    H    ALA  38           H        ALA  38   2.033  -8.032   0.873
  252    HA   ALA  38           HA       ALA  38  -0.728  -7.867   1.708
  253   1HB   ALA  38          2HB       ALA  38   1.124 -10.033   2.783
  254   2HB   ALA  38          1HB       ALA  38  -0.250 -10.310   1.686
  255   3HB   ALA  38          3HB       ALA  38  -0.535  -9.691   3.330
  256    H    CYS  39           H        CYS  39  -0.919  -6.970   3.883
  257    HA   CYS  39           HA       CYS  39   0.696  -4.909   4.420
  258   1HB   CYS  39          1HB       CYS  39  -1.449  -5.313   5.517
  259   2HB   CYS  39          2HB       CYS  39  -0.751  -6.622   6.450
  260    HA   PRO  40           HA       PRO  40   4.448  -7.286   5.312
  261   1HB   PRO  40          1HB       PRO  40   5.706  -4.609   4.987
  262   2HB   PRO  40          2HB       PRO  40   5.932  -6.120   4.047
  263   1HG   PRO  40          1HG       PRO  40   4.537  -3.948   2.838
  264   2HG   PRO  40          2HG       PRO  40   4.405  -5.732   2.706
  265   1HD   PRO  40          1HD       PRO  40   2.833  -3.803   4.520
  266   2HD   PRO  40          2HD       PRO  40   2.178  -4.946   3.309
  267    H    VAL  41           H        VAL  41   2.639  -4.952   7.025
  268    HA   VAL  41           HA       VAL  41   4.672  -4.514   9.041
  269    HB   VAL  41           HB       VAL  41   1.770  -3.672   8.914
  270   1HG1  VAL  41          1HG1      VAL  41   4.025  -3.094  10.811
  271   2HG1  VAL  41          2HG1      VAL  41   2.804  -1.837  10.495
  272   3HG1  VAL  41          3HG1      VAL  41   2.307  -3.417  11.147
  273   1HG2  VAL  41          1HG2      VAL  41   4.207  -2.612   7.626
  274   2HG2  VAL  41          2HG2      VAL  41   2.492  -2.383   7.209
  275   3HG2  VAL  41          3HG2      VAL  41   3.234  -1.401   8.496
  276    H    CYS  42           H        CYS  42   1.271  -5.813   8.995
  277    HA   CYS  42           HA       CYS  42   2.066  -7.490  11.254
  278   1HB   CYS  42          1HB       CYS  42  -0.323  -7.685  11.745
  279   2HB   CYS  42          2HB       CYS  42   0.242  -6.026  11.790
  280    H    GLY  43           H        GLY  43   0.545  -7.362   7.996
  281   1HA   GLY  43          2HA       GLY  43   0.542 -10.314   7.917
  282   2HA   GLY  43          1HA       GLY  43   1.322  -9.370   6.663
  283    H    ALA  44           H        ALA  44  -1.634  -8.247   8.325
  284    HA   ALA  44           HA       ALA  44  -3.718  -9.207   7.127
  285   1HB   ALA  44          1HB       ALA  44  -2.970  -6.270   7.349
  286   2HB   ALA  44          3HB       ALA  44  -3.911  -7.251   8.498
  287   3HB   ALA  44          2HB       ALA  44  -4.604  -6.826   6.914
  288    H    SER  45           H        SER  45  -4.653  -9.514   5.124
  289    HA   SER  45           HA       SER  45  -3.008  -9.424   2.915
  290   1HB   SER  45          1HB       SER  45  -6.057  -9.467   2.925
  291   2HB   SER  45          2HB       SER  45  -5.016 -10.033   1.634
  292    HG   SER  45           HG       SER  45  -4.437 -11.200   4.117
  293    H    LYS  46           H        LYS  46  -4.427  -8.325   0.764
  294    HA   LYS  46           HA       LYS  46  -4.047  -5.496   1.300
  295   1HB   LYS  46          1HB       LYS  46  -3.008  -6.843  -0.657
  296   2HB   LYS  46          2HB       LYS  46  -4.595  -6.744  -1.391
  297   1HG   LYS  46          1HG       LYS  46  -4.549  -4.319  -1.392
  298   2HG   LYS  46          2HG       LYS  46  -3.143  -4.276  -0.346
  299   1HD   LYS  46          1HD       LYS  46  -2.119  -3.931  -2.412
  300   2HD   LYS  46          2HD       LYS  46  -1.999  -5.676  -2.301
  301   1HE   LYS  46          1HE       LYS  46  -4.476  -4.477  -3.556
  302   2HE   LYS  46          2HE       LYS  46  -2.993  -4.504  -4.490
  303    H    ASP  47           H        ASP  47  -6.319  -6.757   2.550
  304    HA   ASP  47           HA       ASP  47  -8.446  -5.565   0.950
  305   1HB   ASP  47          1HB       ASP  47  -8.428  -7.890   2.911
  306   2HB   ASP  47          2HB       ASP  47  -9.923  -7.065   2.515
  307    H    ALA  48           H        ALA  48  -7.251  -6.298   4.309
  308    HA   ALA  48           HA       ALA  48  -8.940  -4.914   5.856
  309   1HB   ALA  48          2HB       ALA  48  -6.656  -4.276   7.100
  310   2HB   ALA  48          3HB       ALA  48  -7.253  -5.952   7.036
  311   3HB   ALA  48          1HB       ALA  48  -5.984  -5.415   5.909
  312    H    PHE  49           H        PHE  49  -5.983  -3.429   4.334
  313    HA   PHE  49           HA       PHE  49  -6.207  -0.897   5.041
  314   1HB   PHE  49          1HB       PHE  49  -5.816  -2.129   2.253
  315   2HB   PHE  49          2HB       PHE  49  -5.482  -0.438   2.566
  316    HD1  PHE  49           HD1      PHE  49  -3.579   0.218   3.958
  317    HD2  PHE  49           HD2      PHE  49  -4.346  -3.863   3.084
  318    HE1  PHE  49           HE1      PHE  49  -1.259  -0.378   4.707
  319    HE2  PHE  49           HE2      PHE  49  -2.026  -4.459   3.833
  320    HZ   PHE  49           HZ       PHE  49  -0.510  -2.710   4.635
  321    H    GLU  50           H        GLU  50  -7.262   1.052   4.326
  322    HA   GLU  50           HA       GLU  50  -9.473   0.720   2.524
  323   1HB   GLU  50          1HB       GLU  50 -11.054   1.829   4.197
  324   2HB   GLU  50          2HB       GLU  50 -10.639   0.161   4.536
  325   1HG   GLU  50          1HG       GLU  50  -9.087   0.781   6.268
  326   2HG   GLU  50          2HG       GLU  50  -9.052   2.455   5.752
  327    H    LYS  51           H        LYS  51  -9.471   2.465   1.171
  328    HA   LYS  51           HA       LYS  51  -7.678   4.485   1.278
  329   1HB   LYS  51          1HB       LYS  51  -9.213   3.805  -0.618
  330   2HB   LYS  51          2HB       LYS  51 -10.470   4.762   0.139
  331   1HG   LYS  51          1HG       LYS  51  -8.177   6.444   0.103
  332   2HG   LYS  51          2HG       LYS  51  -8.188   5.652  -1.460
  333   1HD   LYS  51          1HD       LYS  51 -10.858   6.615  -0.555
  334   2HD   LYS  51          2HD       LYS  51  -9.684   7.889  -0.817
  335   1HE   LYS  51          1HE       LYS  51 -10.280   7.742  -3.017
  336   2HE   LYS  51          2HE       LYS  51  -9.266   6.313  -3.056
  337    H    GLN  52           H        GLN  52  -7.271   5.548   3.193
  338    HA   GLN  52           HA       GLN  52  -7.547   6.914   4.857
  339   1HB   GLN  52          1HB       GLN  52  -9.020   8.071   2.676
  340   2HB   GLN  52          2HB       GLN  52  -9.916   8.403   4.145
  341   1HG   GLN  52          1HG       GLN  52  -8.056   9.524   5.168
  342   2HG   GLN  52          2HG       GLN  52  -6.912   8.859   4.019
  343   2HE2  GLN  52          2HE2      GLN  52  -8.928  11.437   4.807
  344   1HE2  GLN  52          1HE2      GLN  52  -8.832  12.356   3.342

  No H/Q in entry =         344
  Start of MODEL    3
    1    H1   MET   1          1H        MET   1  -4.722  12.240  -5.112
    2    H2   MET   1          2H        MET   1  -4.756  13.345  -3.879
    3    H3   MET   1          3H        MET   1  -3.463  13.298  -4.912
    4    HA   MET   1           HA       MET   1  -2.645  11.412  -4.125
    5   1HB   MET   1          1HB       MET   1  -3.785  13.244  -1.994
    6   2HB   MET   1          2HB       MET   1  -2.994  11.774  -1.460
    7   1HG   MET   1          1HG       MET   1  -1.251  13.406  -1.499
    8   2HG   MET   1          2HG       MET   1  -0.996  12.464  -2.955
    9   1HE   MET   1          1HE       MET   1   0.386  13.904  -3.789
   10   2HE   MET   1          2HE       MET   1  -0.305  14.622  -5.263
   11   3HE   MET   1          3HE       MET   1   0.235  15.672  -3.931
   12    H    ASP   2           H        ASP   2  -2.891   9.603  -2.298
   13    HA   ASP   2           HA       ASP   2  -5.498   8.857  -1.627
   14   1HB   ASP   2          1HB       ASP   2  -5.423   6.669  -3.013
   15   2HB   ASP   2          2HB       ASP   2  -5.880   8.137  -3.854
   16    H    ILE   3           H        ILE   3  -4.589   8.406   0.445
   17    HA   ILE   3           HA       ILE   3  -2.313   6.576   0.517
   18    HB   ILE   3           HB       ILE   3  -3.549   8.360   2.616
   19   1HG1  ILE   3          1HG1      ILE   3  -0.894   9.072   2.234
   20   2HG1  ILE   3          2HG1      ILE   3  -1.446   8.724   0.608
   21   1HG2  ILE   3          1HG2      ILE   3  -2.645   6.237   3.552
   22   2HG2  ILE   3          2HG2      ILE   3  -1.061   6.650   2.855
   23   3HG2  ILE   3          3HG2      ILE   3  -1.783   7.694   4.102
   24   1HD1  ILE   3          1HD1      ILE   3  -3.008  10.498   2.534
   25   2HD1  ILE   3          2HD1      ILE   3  -1.809  11.126   1.378
   26   3HD1  ILE   3          3HD1      ILE   3  -3.273  10.304   0.785
   27    H    TYR   4           H        TYR   4  -2.353   4.707   1.790
   28    HA   TYR   4           HA       TYR   4  -5.100   3.689   2.354
   29   1HB   TYR   4          1HB       TYR   4  -2.678   2.409   1.091
   30   2HB   TYR   4          2HB       TYR   4  -3.893   1.419   1.918
   31    HD1  TYR   4           HD1      TYR   4  -3.414   3.883  -0.843
   32    HD2  TYR   4           HD2      TYR   4  -5.927   0.845   0.861
   33    HE1  TYR   4           HE1      TYR   4  -4.814   3.894  -2.889
   34    HE2  TYR   4           HE2      TYR   4  -7.327   0.855  -1.185
   35    HH   TYR   4           HH       TYR   4  -6.440   2.621  -4.085
   36    H    VAL   5           H        VAL   5  -5.476   3.029   4.462
   37    HA   VAL   5           HA       VAL   5  -3.066   2.633   6.099
   38    HB   VAL   5           HB       VAL   5  -5.741   3.757   6.951
   39   1HG1  VAL   5          1HG1      VAL   5  -4.037   2.464   8.555
   40   2HG1  VAL   5          2HG1      VAL   5  -3.255   4.062   8.576
   41   3HG1  VAL   5          3HG1      VAL   5  -4.951   3.894   9.091
   42   1HG2  VAL   5          1HG2      VAL   5  -3.115   5.160   6.358
   43   2HG2  VAL   5          2HG2      VAL   5  -4.663   5.361   5.502
   44   3HG2  VAL   5          3HG2      VAL   5  -4.499   5.912   7.187
   45    H    CYS   6           H        CYS   6  -2.952   0.762   7.311
   46    HA   CYS   6           HA       CYS   6  -4.721  -1.310   6.579
   47   1HB   CYS   6          1HB       CYS   6  -2.333  -1.652   7.078
   48   2HB   CYS   6          2HB       CYS   6  -2.619  -1.228   8.754
   49    H    THR   7           H        THR   7  -6.241  -2.446   7.983
   50    HA   THR   7           HA       THR   7  -7.253  -0.720  10.139
   51    HB   THR   7           HB       THR   7  -9.377  -2.130   9.667
   52    HG1  THR   7           HG1      THR   7  -9.200  -3.331   7.671
   53   1HG2  THR   7          1HG2      THR   7  -8.736   0.204   8.550
   54   2HG2  THR   7          2HG2      THR   7  -8.452  -0.795   7.104
   55   3HG2  THR   7          3HG2      THR   7 -10.062  -0.763   7.861
   56    H    VAL   8           H        VAL   8  -4.952  -2.759  10.180
   57    HA   VAL   8           HA       VAL   8  -6.114  -4.442  12.292
   58    HB   VAL   8           HB       VAL   8  -3.785  -4.982  10.440
   59   1HG1  VAL   8          1HG1      VAL   8  -4.931  -6.554  12.760
   60   2HG1  VAL   8          2HG1      VAL   8  -3.937  -7.301  11.487
   61   3HG1  VAL   8          3HG1      VAL   8  -3.254  -6.013  12.509
   62   1HG2  VAL   8          1HG2      VAL   8  -6.668  -5.714  10.388
   63   2HG2  VAL   8          2HG2      VAL   8  -5.516  -5.482   9.052
   64   3HG2  VAL   8          3HG2      VAL   8  -5.509  -7.001   9.979
   65    H    CYS   9           H        CYS   9  -3.220  -2.582  11.172
   66    HA   CYS   9           HA       CYS   9  -2.537  -2.279  14.007
   67   1HB   CYS   9          1HB       CYS   9  -0.181  -1.786  12.889
   68   2HB   CYS   9          2HB       CYS   9  -0.687  -3.391  13.376
   69    H    GLY  10           H        GLY  10  -1.743  -0.784  10.776
   70   1HA   GLY  10          2HA       GLY  10  -1.673   1.855  11.888
   71   2HA   GLY  10          1HA       GLY  10  -3.149   1.553  10.995
   72    H    TYR  11           H        TYR  11   0.310   0.664  10.618
   73    HA   TYR  11           HA       TYR  11   1.798   1.288   8.941
   74   1HB   TYR  11          1HB       TYR  11   0.381  -0.853   8.324
   75   2HB   TYR  11          2HB       TYR  11  -0.269   0.197   7.054
   76    HD1  TYR  11           HD1      TYR  11   3.196  -0.027   8.470
   77    HD2  TYR  11           HD2      TYR  11   0.652  -0.562   5.051
   78    HE1  TYR  11           HE1      TYR  11   5.185  -0.499   7.065
   79    HE2  TYR  11           HE2      TYR  11   2.640  -1.033   3.645
   80    HH   TYR  11           HH       TYR  11   5.212  -0.464   3.740
   81    H    GLU  12           H        GLU  12   0.984   1.762   6.064
   82    HA   GLU  12           HA       GLU  12  -0.782   3.691   5.650
   83   1HB   GLU  12          1HB       GLU  12   0.687   5.831   5.833
   84   2HB   GLU  12          2HB       GLU  12  -0.047   5.208   7.298
   85   1HG   GLU  12          1HG       GLU  12   2.328   3.798   7.271
   86   2HG   GLU  12          2HG       GLU  12   2.827   5.293   6.505
   87    H    TYR  13           H        TYR  13  -0.528   2.466   3.736
   88    HA   TYR  13           HA       TYR  13   1.952   2.563   2.228
   89   1HB   TYR  13          1HB       TYR  13   0.420   0.642   2.135
   90   2HB   TYR  13          2HB       TYR  13  -0.857   1.682   1.480
   91    HD1  TYR  13           HD1      TYR  13   2.401   0.073   0.768
   92    HD2  TYR  13           HD2      TYR  13  -0.869   2.353  -0.832
   93    HE1  TYR  13           HE1      TYR  13   3.210  -0.380  -1.532
   94    HE2  TYR  13           HE2      TYR  13  -0.060   1.900  -3.132
   95    HH   TYR  13           HH       TYR  13   2.440   1.257  -4.174
   96    H    ASP  14           H        ASP  14   2.391   3.793   0.309
   97    HA   ASP  14           HA       ASP  14   0.342   5.727  -0.363
   98   1HB   ASP  14          1HB       ASP  14   3.279   6.394   0.151
   99   2HB   ASP  14          2HB       ASP  14   2.101   7.520  -0.494
  100    HA   PRO  15           HA       PRO  15   1.821   4.505  -4.393
  101   1HB   PRO  15          1HB       PRO  15   0.311   6.098  -5.939
  102   2HB   PRO  15          2HB       PRO  15  -0.470   4.911  -4.844
  103   1HG   PRO  15          1HG       PRO  15   0.078   7.841  -4.247
  104   2HG   PRO  15          2HG       PRO  15  -1.510   7.023  -4.088
  105   1HD   PRO  15          1HD       PRO  15   0.175   7.346  -1.955
  106   2HD   PRO  15          2HD       PRO  15  -0.790   5.852  -2.149
  107    H    ALA  16           H        ALA  16   2.249   7.695  -2.942
  108    HA   ALA  16           HA       ALA  16   3.667   8.792  -5.163
  109   1HB   ALA  16          2HB       ALA  16   4.326  10.483  -3.324
  110   2HB   ALA  16          3HB       ALA  16   2.598  10.340  -3.723
  111   3HB   ALA  16          1HB       ALA  16   3.241   9.556  -2.261
  112    H    LYS  17           H        LYS  17   4.485   7.107  -2.085
  113    HA   LYS  17           HA       LYS  17   7.299   7.194  -2.875
  114   1HB   LYS  17          1HB       LYS  17   5.907   7.390  -0.370
  115   2HB   LYS  17          2HB       LYS  17   6.941   5.976  -0.326
  116   1HG   LYS  17          1HG       LYS  17   8.155   8.440  -1.524
  117   2HG   LYS  17          2HG       LYS  17   7.826   8.512   0.196
  118   1HD   LYS  17          1HD       LYS  17   9.385   6.868   0.714
  119   2HD   LYS  17          2HD       LYS  17   9.139   6.002  -0.789
  120   1HE   LYS  17          1HE       LYS  17  10.465   8.741  -0.761
  121   2HE   LYS  17          2HE       LYS  17  11.394   7.286  -0.460
  122    H    GLY  18           H        GLY  18   4.518   5.031  -2.253
  123   1HA   GLY  18          2HA       GLY  18   5.713   2.977  -3.862
  124   2HA   GLY  18          1HA       GLY  18   4.157   2.942  -3.055
  125    H    ASP  19           H        ASP  19   6.605   1.017  -3.218
  126    HA   ASP  19           HA       ASP  19   7.125   0.837  -0.369
  127   1HB   ASP  19          1HB       ASP  19   5.831  -1.203  -2.171
  128   2HB   ASP  19          2HB       ASP  19   6.934  -1.796  -0.946
  129    HA   PRO  20           HA       PRO  20  10.774   0.463  -3.358
  130   1HB   PRO  20          1HB       PRO  20  12.357   2.178  -1.840
  131   2HB   PRO  20          2HB       PRO  20  11.251   2.711  -3.147
  132   1HG   PRO  20          1HG       PRO  20  10.844   2.554  -0.302
  133   2HG   PRO  20          2HG       PRO  20  10.378   4.024  -1.220
  134   1HD   PRO  20          1HD       PRO  20   8.454   2.326  -0.580
  135   2HD   PRO  20          2HD       PRO  20   8.561   2.800  -2.303
  136    H    ASP  21           H        ASP  21  13.314   0.424  -2.086
  137    HA   ASP  21           HA       ASP  21  14.564  -0.626  -0.611
  138   1HB   ASP  21          1HB       ASP  21  12.420  -0.371   0.965
  139   2HB   ASP  21          2HB       ASP  21  12.233  -2.085   0.655
  140    H    SER  22           H        SER  22  13.601  -1.590  -3.228
  141    HA   SER  22           HA       SER  22  13.834  -3.340  -4.498
  142   1HB   SER  22          1HB       SER  22  15.728  -3.922  -2.849
  143   2HB   SER  22          2HB       SER  22  14.604  -5.027  -2.083
  144    HG   SER  22           HG       SER  22  15.373  -5.101  -4.878
  145    H    GLY  23           H        GLY  23  11.644  -3.576  -5.066
  146   1HA   GLY  23          2HA       GLY  23   9.821  -4.939  -3.268
  147   2HA   GLY  23          1HA       GLY  23  10.280  -5.854  -4.691
  148    H    ILE  24           H        ILE  24   9.441  -2.385  -3.953
  149    HA   ILE  24           HA       ILE  24   7.721  -2.462  -6.331
  150    HB   ILE  24           HB       ILE  24   7.074  -1.069  -3.733
  151   1HG1  ILE  24          1HG1      ILE  24   7.046  -3.515  -3.445
  152   2HG1  ILE  24          2HG1      ILE  24   5.450  -2.805  -3.306
  153   1HG2  ILE  24          1HG2      ILE  24   5.931  -1.033  -6.437
  154   2HG2  ILE  24          2HG2      ILE  24   4.745  -1.360  -5.151
  155   3HG2  ILE  24          3HG2      ILE  24   5.743   0.113  -5.088
  156   1HD1  ILE  24          1HD1      ILE  24   6.497  -3.979  -5.916
  157   2HD1  ILE  24          2HD1      ILE  24   5.582  -4.928  -4.720
  158   3HD1  ILE  24          3HD1      ILE  24   4.820  -3.534  -5.522
  159    H    LYS  25           H        LYS  25   7.655  -0.543  -7.580
  160    HA   LYS  25           HA       LYS  25   9.944   1.184  -7.064
  161   1HB   LYS  25          1HB       LYS  25   8.526   0.194  -9.442
  162   2HB   LYS  25          2HB       LYS  25   8.893   1.905  -9.514
  163   1HG   LYS  25          1HG       LYS  25  10.858   0.940 -10.382
  164   2HG   LYS  25          2HG       LYS  25  11.292   1.217  -8.707
  165   1HD   LYS  25          1HD       LYS  25  11.637  -1.000  -8.382
  166   2HD   LYS  25          2HD       LYS  25   9.998  -1.365  -8.885
  167   1HE   LYS  25          1HE       LYS  25  11.782  -0.675 -11.151
  168   2HE   LYS  25          2HE       LYS  25  12.315  -2.089 -10.263
  169    HA   PRO  26           HA       PRO  26   7.690   4.624  -5.645
  170   1HB   PRO  26          1HB       PRO  26   8.990   6.677  -6.985
  171   2HB   PRO  26          2HB       PRO  26   9.698   5.770  -5.609
  172   1HG   PRO  26          1HG       PRO  26   9.929   5.328  -8.498
  173   2HG   PRO  26          2HG       PRO  26  11.410   5.384  -7.488
  174   1HD   PRO  26          1HD       PRO  26  10.502   2.998  -8.110
  175   2HD   PRO  26          2HD       PRO  26  10.731   3.308  -6.362
  176    H    GLY  27           H        GLY  27   5.693   5.512  -6.224
  177   1HA   GLY  27          2HA       GLY  27   5.260   6.375  -8.956
  178   2HA   GLY  27          1HA       GLY  27   4.172   6.536  -7.591
  179    H    THR  28           H        THR  28   3.892   3.921  -6.648
  180    HA   THR  28           HA       THR  28   2.787   2.537  -9.005
  181    HB   THR  28           HB       THR  28   3.909   1.367  -6.404
  182    HG1  THR  28           HG1      THR  28   5.658   2.045  -7.677
  183   1HG2  THR  28          1HG2      THR  28   2.991   0.118  -9.047
  184   2HG2  THR  28          2HG2      THR  28   3.927  -0.749  -7.806
  185   3HG2  THR  28          3HG2      THR  28   2.284  -0.172  -7.439
  186    H    LYS  29           H        LYS  29   0.640   2.386  -9.099
  187    HA   LYS  29           HA       LYS  29  -0.957   3.450  -7.059
  188   1HB   LYS  29          1HB       LYS  29  -1.454   1.949  -9.613
  189   2HB   LYS  29          2HB       LYS  29  -2.779   2.204  -8.495
  190   1HG   LYS  29          1HG       LYS  29  -2.884   4.457  -8.925
  191   2HG   LYS  29          2HG       LYS  29  -1.141   4.637  -8.949
  192   1HD   LYS  29          1HD       LYS  29  -1.192   4.710 -11.212
  193   2HD   LYS  29          2HD       LYS  29  -1.794   3.064 -11.241
  194   1HE   LYS  29          1HE       LYS  29  -3.654   3.968 -12.217
  195   2HE   LYS  29          2HE       LYS  29  -4.099   4.438 -10.589
  196    H    PHE  30           H        PHE  30  -2.736   2.238  -5.900
  197    HA   PHE  30           HA       PHE  30  -1.528  -0.036  -4.609
  198   1HB   PHE  30          1HB       PHE  30  -2.736   1.877  -3.438
  199   2HB   PHE  30          2HB       PHE  30  -4.207   1.449  -4.289
  200    HD1  PHE  30           HD1      PHE  30  -1.809   0.317  -1.723
  201    HD2  PHE  30           HD2      PHE  30  -5.596  -0.327  -3.526
  202    HE1  PHE  30           HE1      PHE  30  -2.425  -1.256   0.133
  203    HE2  PHE  30           HE2      PHE  30  -6.212  -1.900  -1.670
  204    HZ   PHE  30           HZ       PHE  30  -4.619  -2.346   0.138
  205    H    GLU  31           H        GLU  31  -3.111   0.239  -7.472
  206    HA   GLU  31           HA       GLU  31  -4.722  -2.140  -6.988
  207   1HB   GLU  31          1HB       GLU  31  -5.210   0.298  -8.465
  208   2HB   GLU  31          2HB       GLU  31  -5.237  -1.046  -9.589
  209   1HG   GLU  31          1HG       GLU  31  -7.408  -1.278  -8.889
  210   2HG   GLU  31          2HG       GLU  31  -6.690  -2.137  -7.541
  211    H    ASP  32           H        ASP  32  -1.713  -1.139  -8.109
  212    HA   ASP  32           HA       ASP  32  -1.651  -3.177 -10.175
  213   1HB   ASP  32          1HB       ASP  32   0.283  -0.934  -9.436
  214   2HB   ASP  32          2HB       ASP  32   0.644  -2.140 -10.655
  215    H    LEU  33           H        LEU  33  -1.033  -2.649  -6.867
  216    HA   LEU  33           HA       LEU  33   1.425  -3.731  -6.363
  217   1HB   LEU  33          1HB       LEU  33  -1.174  -3.806  -4.849
  218   2HB   LEU  33          2HB       LEU  33   0.287  -4.528  -4.205
  219    HG   LEU  33           HG       LEU  33   0.068  -1.620  -5.027
  220   1HD1  LEU  33          1HD1      LEU  33  -1.485  -2.260  -3.158
  221   2HD1  LEU  33          2HD1      LEU  33  -0.051  -2.716  -2.209
  222   3HD1  LEU  33          3HD1      LEU  33  -0.265  -1.032  -2.743
  223   1HD2  LEU  33          1HD2      LEU  33   2.247  -3.330  -3.982
  224   2HD2  LEU  33          2HD2      LEU  33   2.309  -1.862  -4.987
  225   3HD2  LEU  33          3HD2      LEU  33   2.080  -1.727  -3.227
  226    HA   PRO  34           HA       PRO  34   1.832  -7.847  -7.655
  227   1HB   PRO  34          1HB       PRO  34   2.366  -8.411  -4.716
  228   2HB   PRO  34          2HB       PRO  34   3.277  -8.900  -6.181
  229   1HG   PRO  34          1HG       PRO  34   4.088  -6.810  -4.673
  230   2HG   PRO  34          2HG       PRO  34   4.306  -6.875  -6.452
  231   1HD   PRO  34          1HD       PRO  34   2.395  -5.260  -4.770
  232   2HD   PRO  34          2HD       PRO  34   3.023  -4.924  -6.412
  233    H    ASP  35           H        ASP  35   0.824 -10.072  -7.310
  234    HA   ASP  35           HA       ASP  35  -1.827  -9.657  -6.240
  235   1HB   ASP  35          1HB       ASP  35  -0.553 -11.736  -8.056
  236   2HB   ASP  35          2HB       ASP  35  -2.123 -12.030  -7.336
  237    H    ASP  36           H        ASP  36   0.723 -10.108  -4.597
  238    HA   ASP  36           HA       ASP  36  -0.364 -12.235  -3.004
  239   1HB   ASP  36          1HB       ASP  36   1.829 -13.387  -2.794
  240   2HB   ASP  36          2HB       ASP  36   1.232 -13.438  -4.440
  241    H    TRP  37           H        TRP  37   0.172  -9.193  -3.046
  242    HA   TRP  37           HA       TRP  37   2.224  -8.875  -1.029
  243   1HB   TRP  37          1HB       TRP  37   1.973  -7.305  -2.938
  244   2HB   TRP  37          2HB       TRP  37   0.408  -6.826  -2.311
  245    HD1  TRP  37           HD1      TRP  37   4.151  -6.348  -1.635
  246    HE1  TRP  37           HE1      TRP  37   4.582  -4.436   0.132
  247    HE3  TRP  37           HE3      TRP  37  -0.722  -5.751  -0.312
  248    HZ2  TRP  37           HZ2      TRP  37   2.874  -2.922   1.845
  249    HZ3  TRP  37           HZ3      TRP  37  -1.255  -4.035   1.415
  250    HH2  TRP  37           HH2      TRP  37   0.450  -2.647   2.483
  251    H    ALA  38           H        ALA  38   1.789  -8.184   1.135
  252    HA   ALA  38           HA       ALA  38  -0.959  -7.862   1.946
  253   1HB   ALA  38          1HB       ALA  38  -0.229 -10.416   1.862
  254   2HB   ALA  38          2HB       ALA  38   0.577 -10.003   3.394
  255   3HB   ALA  38          3HB       ALA  38  -1.181  -9.782   3.226
  256    H    CYS  39           H        CYS  39  -1.115  -6.955   4.113
  257    HA   CYS  39           HA       CYS  39   0.648  -5.025   4.685
  258   1HB   CYS  39          1HB       CYS  39  -1.544  -5.258   5.736
  259   2HB   CYS  39          2HB       CYS  39  -0.974  -6.619   6.680
  260    HA   PRO  40           HA       PRO  40   4.190  -7.688   5.622
  261   1HB   PRO  40          1HB       PRO  40   5.626  -5.085   5.406
  262   2HB   PRO  40          2HB       PRO  40   5.804  -6.594   4.452
  263   1HG   PRO  40          1HG       PRO  40   4.600  -4.338   3.230
  264   2HG   PRO  40          2HG       PRO  40   4.345  -6.105   3.058
  265   1HD   PRO  40          1HD       PRO  40   2.842  -4.090   4.834
  266   2HD   PRO  40          2HD       PRO  40   2.159  -5.187   3.595
  267    H    VAL  41           H        VAL  41   2.494  -5.289   7.355
  268    HA   VAL  41           HA       VAL  41   4.494  -5.068   9.444
  269    HB   VAL  41           HB       VAL  41   1.679  -3.976   9.282
  270   1HG1  VAL  41          1HG1      VAL  41   4.028  -3.391  11.103
  271   2HG1  VAL  41          2HG1      VAL  41   2.634  -2.297  10.932
  272   3HG1  VAL  41          3HG1      VAL  41   2.399  -3.950  11.550
  273   1HG2  VAL  41          1HG2      VAL  41   3.981  -3.259   7.756
  274   2HG2  VAL  41          2HG2      VAL  41   2.387  -2.468   7.802
  275   3HG2  VAL  41          3HG2      VAL  41   3.669  -1.952   8.924
  276    H    CYS  42           H        CYS  42   0.978  -6.002   9.302
  277    HA   CYS  42           HA       CYS  42   1.536  -7.801  11.532
  278   1HB   CYS  42          1HB       CYS  42  -0.886  -7.815  11.896
  279   2HB   CYS  42          2HB       CYS  42  -0.194  -6.209  12.003
  280    H    GLY  43           H        GLY  43   0.231  -7.514   8.195
  281   1HA   GLY  43          2HA       GLY  43   0.008 -10.459   8.069
  282   2HA   GLY  43          1HA       GLY  43   0.899  -9.549   6.865
  283    H    ALA  44           H        ALA  44  -2.037  -8.247   8.425
  284    HA   ALA  44           HA       ALA  44  -4.144  -9.024   7.171
  285   1HB   ALA  44          1HB       ALA  44  -3.125  -6.399   7.953
  286   2HB   ALA  44          2HB       ALA  44  -4.289  -6.282   6.611
  287   3HB   ALA  44          3HB       ALA  44  -4.760  -7.081   8.130
  288    H    SER  45           H        SER  45  -4.973  -9.413   5.154
  289    HA   SER  45           HA       SER  45  -3.268  -9.462   3.000
  290   1HB   SER  45          1HB       SER  45  -5.748 -10.479   3.559
  291   2HB   SER  45          2HB       SER  45  -6.190  -9.219   2.423
  292    HG   SER  45           HG       SER  45  -5.668 -11.389   1.488
  293    H    LYS  46           H        LYS  46  -4.577  -8.361   0.771
  294    HA   LYS  46           HA       LYS  46  -4.060  -5.537   1.235
  295   1HB   LYS  46          1HB       LYS  46  -3.046  -7.046  -0.650
  296   2HB   LYS  46          2HB       LYS  46  -4.580  -6.783  -1.453
  297   1HG   LYS  46          1HG       LYS  46  -4.268  -4.406  -1.533
  298   2HG   LYS  46          2HG       LYS  46  -2.997  -4.444  -0.327
  299   1HD   LYS  46          1HD       LYS  46  -1.699  -4.251  -2.247
  300   2HD   LYS  46          2HD       LYS  46  -1.763  -5.998  -2.115
  301   1HE   LYS  46          1HE       LYS  46  -2.286  -5.410  -4.417
  302   2HE   LYS  46          2HE       LYS  46  -3.756  -6.007  -3.672
  303    H    ASP  47           H        ASP  47  -6.481  -6.804   2.342
  304    HA   ASP  47           HA       ASP  47  -8.451  -5.454   0.669
  305   1HB   ASP  47          1HB       ASP  47  -8.416  -8.065   1.906
  306   2HB   ASP  47          2HB       ASP  47  -9.679  -7.126   2.678
  307    H    ALA  48           H        ALA  48  -7.312  -6.215   4.022
  308    HA   ALA  48           HA       ALA  48  -9.072  -4.864   5.556
  309   1HB   ALA  48          2HB       ALA  48  -6.991  -4.376   7.009
  310   2HB   ALA  48          3HB       ALA  48  -7.324  -6.075   6.599
  311   3HB   ALA  48          1HB       ALA  48  -6.062  -5.180   5.721
  312    H    PHE  49           H        PHE  49  -6.024  -3.380   4.225
  313    HA   PHE  49           HA       PHE  49  -6.293  -0.856   4.953
  314   1HB   PHE  49          1HB       PHE  49  -5.691  -2.055   2.189
  315   2HB   PHE  49          2HB       PHE  49  -5.383  -0.367   2.545
  316    HD1  PHE  49           HD1      PHE  49  -3.599   0.271   4.099
  317    HD2  PHE  49           HD2      PHE  49  -4.283  -3.796   3.098
  318    HE1  PHE  49           HE1      PHE  49  -1.342  -0.335   5.016
  319    HE2  PHE  49           HE2      PHE  49  -2.026  -4.401   4.015
  320    HZ   PHE  49           HZ       PHE  49  -0.583  -2.663   4.963
  321    H    GLU  50           H        GLU  50  -7.282   1.108   4.180
  322    HA   GLU  50           HA       GLU  50  -9.358   0.799   2.218
  323   1HB   GLU  50          1HB       GLU  50 -11.048   1.911   3.778
  324   2HB   GLU  50          2HB       GLU  50 -10.667   0.239   4.140
  325   1HG   GLU  50          1HG       GLU  50  -9.245   0.841   5.983
  326   2HG   GLU  50          2HG       GLU  50  -9.153   2.516   5.474
  327    H    LYS  51           H        LYS  51  -9.259   2.553   0.879
  328    HA   LYS  51           HA       LYS  51  -7.468   4.536   1.040
  329   1HB   LYS  51          1HB       LYS  51  -8.842   4.060  -0.925
  330   2HB   LYS  51          2HB       LYS  51 -10.263   4.698  -0.123
  331   1HG   LYS  51          1HG       LYS  51  -8.775   6.877   0.190
  332   2HG   LYS  51          2HG       LYS  51  -7.819   6.193  -1.109
  333   1HD   LYS  51          1HD       LYS  51  -9.338   7.396  -2.382
  334   2HD   LYS  51          2HD       LYS  51 -10.220   5.886  -2.269
  335   1HE   LYS  51          1HE       LYS  51 -11.672   6.718  -0.558
  336   2HE   LYS  51          2HE       LYS  51 -10.599   8.046  -0.165
  337    H    GLN  52           H        GLN  52  -7.018   5.541   2.976
  338    HA   GLN  52           HA       GLN  52  -8.830   6.264   4.858
  339   1HB   GLN  52          1HB       GLN  52  -6.106   6.463   4.565
  340   2HB   GLN  52          2HB       GLN  52  -6.555   8.155   4.489
  341   1HG   GLN  52          1HG       GLN  52  -8.083   6.969   6.619
  342   2HG   GLN  52          2HG       GLN  52  -6.427   6.427   6.809
  343   2HE2  GLN  52          2HE2      GLN  52  -5.768   7.617   8.475
  344   1HE2  GLN  52          1HE2      GLN  52  -5.690   9.347   8.523

  No H/Q in entry =         344
  Start of MODEL    4
    1    H1   MET   1          1H        MET   1  -4.635   9.686  -6.183
    2    H2   MET   1          2H        MET   1  -3.427  10.505  -6.963
    3    H3   MET   1          3H        MET   1  -3.141   8.994  -6.351
    4    HA   MET   1           HA       MET   1  -2.226  10.058  -4.749
    5   1HB   MET   1          1HB       MET   1  -2.894  12.256  -6.085
    6   2HB   MET   1          2HB       MET   1  -4.203  12.377  -4.927
    7   1HG   MET   1          1HG       MET   1  -2.262  12.033  -3.130
    8   2HG   MET   1          2HG       MET   1  -1.220  12.562  -4.436
    9   1HE   MET   1          1HE       MET   1  -4.251  12.981  -2.496
   10   2HE   MET   1          2HE       MET   1  -3.689  14.398  -1.576
   11   3HE   MET   1          3HE       MET   1  -4.900  14.597  -2.866
   12    H    ASP   2           H        ASP   2  -2.838   8.645  -3.131
   13    HA   ASP   2           HA       ASP   2  -4.804   9.505  -1.348
   14   1HB   ASP   2          1HB       ASP   2  -6.300   8.503  -3.095
   15   2HB   ASP   2          2HB       ASP   2  -5.441   6.982  -2.950
   16    H    ILE   3           H        ILE   3  -4.333   8.518   0.679
   17    HA   ILE   3           HA       ILE   3  -2.202   6.528   0.605
   18    HB   ILE   3           HB       ILE   3  -3.222   8.389   2.746
   19   1HG1  ILE   3          1HG1      ILE   3  -0.480   8.728   2.359
   20   2HG1  ILE   3          2HG1      ILE   3  -1.107   8.502   0.738
   21   1HG2  ILE   3          1HG2      ILE   3  -1.339   6.052   2.932
   22   2HG2  ILE   3          2HG2      ILE   3  -1.143   7.469   3.992
   23   3HG2  ILE   3          3HG2      ILE   3  -2.659   6.537   4.023
   24   1HD1  ILE   3          1HD1      ILE   3  -2.851  10.256   1.186
   25   2HD1  ILE   3          2HD1      ILE   3  -2.125  10.520   2.790
   26   3HD1  ILE   3          3HD1      ILE   3  -1.190  10.883   1.319
   27    H    TYR   4           H        TYR   4  -2.307   4.637   1.855
   28    HA   TYR   4           HA       TYR   4  -5.094   3.762   2.462
   29   1HB   TYR   4          1HB       TYR   4  -2.755   2.362   1.168
   30   2HB   TYR   4          2HB       TYR   4  -4.029   1.439   1.982
   31    HD1  TYR   4           HD1      TYR   4  -3.379   3.880  -0.759
   32    HD2  TYR   4           HD2      TYR   4  -6.112   1.031   0.934
   33    HE1  TYR   4           HE1      TYR   4  -4.777   4.005  -2.804
   34    HE2  TYR   4           HE2      TYR   4  -7.509   1.156  -1.111
   35    HH   TYR   4           HH       TYR   4  -7.933   2.793  -3.025
   36    H    VAL   5           H        VAL   5  -5.461   3.262   4.606
   37    HA   VAL   5           HA       VAL   5  -3.057   2.730   6.208
   38    HB   VAL   5           HB       VAL   5  -5.737   3.743   7.161
   39   1HG1  VAL   5          1HG1      VAL   5  -3.943   2.593   8.696
   40   2HG1  VAL   5          2HG1      VAL   5  -3.106   4.158   8.554
   41   3HG1  VAL   5          3HG1      VAL   5  -4.752   4.087   9.228
   42   1HG2  VAL   5          1HG2      VAL   5  -3.524   5.173   5.828
   43   2HG2  VAL   5          2HG2      VAL   5  -5.227   5.641   6.054
   44   3HG2  VAL   5          3HG2      VAL   5  -4.053   5.891   7.369
   45    H    CYS   6           H        CYS   6  -2.936   0.846   7.407
   46    HA   CYS   6           HA       CYS   6  -4.673  -1.235   6.623
   47   1HB   CYS   6          1HB       CYS   6  -2.293  -1.569   7.135
   48   2HB   CYS   6          2HB       CYS   6  -2.586  -1.155   8.813
   49    H    THR   7           H        THR   7  -6.187  -2.417   8.001
   50    HA   THR   7           HA       THR   7  -7.253  -0.729  10.160
   51    HB   THR   7           HB       THR   7  -9.348  -2.155   9.659
   52    HG1  THR   7           HG1      THR   7  -9.074  -3.183   7.465
   53   1HG2  THR   7          1HG2      THR   7  -8.142  -0.044   8.001
   54   2HG2  THR   7          2HG2      THR   7  -9.134  -1.151   7.021
   55   3HG2  THR   7          3HG2      THR   7  -9.855  -0.303   8.410
   56    H    VAL   8           H        VAL   8  -4.906  -2.698  10.233
   57    HA   VAL   8           HA       VAL   8  -6.055  -4.413  12.327
   58    HB   VAL   8           HB       VAL   8  -3.744  -4.926  10.445
   59   1HG1  VAL   8          1HG1      VAL   8  -4.765  -6.457  12.844
   60   2HG1  VAL   8          2HG1      VAL   8  -3.857  -7.250  11.535
   61   3HG1  VAL   8          3HG1      VAL   8  -3.103  -5.938  12.473
   62   1HG2  VAL   8          1HG2      VAL   8  -6.605  -5.783  10.515
   63   2HG2  VAL   8          2HG2      VAL   8  -5.541  -5.444   9.129
   64   3HG2  VAL   8          3HG2      VAL   8  -5.391  -6.983  10.010
   65    H    CYS   9           H        CYS   9  -3.167  -2.543  11.202
   66    HA   CYS   9           HA       CYS   9  -2.495  -2.218  14.037
   67   1HB   CYS   9          1HB       CYS   9  -0.139  -1.715  12.874
   68   2HB   CYS   9          2HB       CYS   9  -0.620  -3.296  13.457
   69    H    GLY  10           H        GLY  10  -1.653  -0.743  10.810
   70   1HA   GLY  10          2HA       GLY  10  -1.600   1.901  11.896
   71   2HA   GLY  10          1HA       GLY  10  -3.076   1.595  11.003
   72    H    TYR  11           H        TYR  11   0.365   0.644  10.617
   73    HA   TYR  11           HA       TYR  11   1.863   1.251   8.941
   74   1HB   TYR  11          1HB       TYR  11   0.410  -0.864   8.325
   75   2HB   TYR  11          2HB       TYR  11  -0.232   0.198   7.061
   76    HD1  TYR  11           HD1      TYR  11   3.239  -0.086   8.454
   77    HD2  TYR  11           HD2      TYR  11   0.664  -0.567   5.050
   78    HE1  TYR  11           HE1      TYR  11   5.210  -0.584   7.034
   79    HE2  TYR  11           HE2      TYR  11   2.635  -1.066   3.630
   80    HH   TYR  11           HH       TYR  11   5.903  -1.401   4.967
   81    H    GLU  12           H        GLU  12   1.015   1.730   6.061
   82    HA   GLU  12           HA       GLU  12  -0.704   3.701   5.665
   83   1HB   GLU  12          1HB       GLU  12   0.849   5.800   5.820
   84   2HB   GLU  12          2HB       GLU  12   0.066   5.222   7.278
   85   1HG   GLU  12          1HG       GLU  12   2.533   3.767   7.013
   86   2HG   GLU  12          2HG       GLU  12   2.899   5.456   6.724
   87    H    TYR  13           H        TYR  13  -0.452   2.390   3.778
   88    HA   TYR  13           HA       TYR  13   1.986   2.402   2.240
   89   1HB   TYR  13          1HB       TYR  13   0.303   0.601   2.139
   90   2HB   TYR  13          2HB       TYR  13  -0.875   1.740   1.466
   91    HD1  TYR  13           HD1      TYR  13   2.266  -0.109   0.805
   92    HD2  TYR  13           HD2      TYR  13  -0.807   2.397  -0.845
   93    HE1  TYR  13           HE1      TYR  13   3.075  -0.624  -1.482
   94    HE2  TYR  13           HE2      TYR  13   0.001   1.882  -3.132
   95    HH   TYR  13           HH       TYR  13   2.151   1.096  -4.255
   96    H    ASP  14           H        ASP  14   2.512   3.625   0.340
   97    HA   ASP  14           HA       ASP  14   0.615   5.742  -0.254
   98   1HB   ASP  14          1HB       ASP  14   3.463   5.978   0.655
   99   2HB   ASP  14          2HB       ASP  14   2.995   7.031  -0.665
  100    HA   PRO  15           HA       PRO  15   1.780   4.380  -4.348
  101   1HB   PRO  15          1HB       PRO  15   0.232   6.029  -5.807
  102   2HB   PRO  15          2HB       PRO  15  -0.515   4.861  -4.668
  103   1HG   PRO  15          1HG       PRO  15   0.026   7.713  -4.199
  104   2HG   PRO  15          2HG       PRO  15  -1.502   6.856  -3.816
  105   1HD   PRO  15          1HD       PRO  15   0.469   7.383  -1.939
  106   2HD   PRO  15          2HD       PRO  15  -0.574   5.931  -1.857
  107    H    ALA  16           H        ALA  16   1.894   7.905  -3.440
  108    HA   ALA  16           HA       ALA  16   3.592   8.560  -5.617
  109   1HB   ALA  16          2HB       ALA  16   3.927  10.506  -3.653
  110   2HB   ALA  16          1HB       ALA  16   2.299   9.866  -3.326
  111   3HB   ALA  16          3HB       ALA  16   2.693  10.516  -4.935
  112    H    LYS  17           H        LYS  17   4.023   7.190  -2.393
  113    HA   LYS  17           HA       LYS  17   6.894   7.699  -2.536
  114   1HB   LYS  17          1HB       LYS  17   5.014   7.666  -0.426
  115   2HB   LYS  17          2HB       LYS  17   6.028   6.258  -0.184
  116   1HG   LYS  17          1HG       LYS  17   7.302   7.892   0.897
  117   2HG   LYS  17          2HG       LYS  17   8.021   7.932  -0.700
  118   1HD   LYS  17          1HD       LYS  17   6.005   9.732  -1.086
  119   2HD   LYS  17          2HD       LYS  17   6.243   9.945   0.637
  120   1HE   LYS  17          1HE       LYS  17   8.703  10.310   0.230
  121   2HE   LYS  17          2HE       LYS  17   8.427  10.153  -1.493
  122    H    GLY  18           H        GLY  18   4.522   4.987  -2.102
  123   1HA   GLY  18          2HA       GLY  18   6.130   3.277  -3.769
  124   2HA   GLY  18          1HA       GLY  18   4.611   2.894  -2.984
  125    H    ASP  19           H        ASP  19   6.993   1.191  -3.103
  126    HA   ASP  19           HA       ASP  19   7.756   1.240  -0.291
  127   1HB   ASP  19          1HB       ASP  19   7.548  -1.393  -1.725
  128   2HB   ASP  19          2HB       ASP  19   7.300  -1.036  -0.028
  129    HA   PRO  20           HA       PRO  20  11.478   1.199  -3.038
  130   1HB   PRO  20          1HB       PRO  20  12.608   2.880  -0.866
  131   2HB   PRO  20          2HB       PRO  20  12.365   3.244  -2.605
  132   1HG   PRO  20          1HG       PRO  20  10.747   4.516  -0.662
  133   2HG   PRO  20          2HG       PRO  20  10.254   4.100  -2.336
  134   1HD   PRO  20          1HD       PRO  20   9.894   2.514   0.266
  135   2HD   PRO  20          2HD       PRO  20   8.668   2.906  -0.978
  136    H    ASP  21           H        ASP  21  11.987  -1.044  -2.616
  137    HA   ASP  21           HA       ASP  21  14.078  -1.437  -0.874
  138   1HB   ASP  21          1HB       ASP  21  11.906  -1.300   0.681
  139   2HB   ASP  21          2HB       ASP  21  11.656  -2.945   0.132
  140    H    SER  22           H        SER  22  14.073  -2.117  -3.407
  141    HA   SER  22           HA       SER  22  13.891  -3.635  -4.987
  142   1HB   SER  22          1HB       SER  22  15.046  -5.054  -2.592
  143   2HB   SER  22          2HB       SER  22  14.721  -6.002  -4.029
  144    HG   SER  22           HG       SER  22  16.823  -5.252  -4.260
  145    H    GLY  23           H        GLY  23  11.332  -3.177  -4.302
  146   1HA   GLY  23          2HA       GLY  23   9.663  -4.877  -3.125
  147   2HA   GLY  23          1HA       GLY  23  10.101  -5.805  -4.545
  148    H    ILE  24           H        ILE  24   9.370  -2.303  -3.847
  149    HA   ILE  24           HA       ILE  24   7.628  -2.361  -6.209
  150    HB   ILE  24           HB       ILE  24   7.031  -0.946  -3.611
  151   1HG1  ILE  24          1HG1      ILE  24   6.902  -3.371  -3.305
  152   2HG1  ILE  24          2HG1      ILE  24   5.318  -2.626  -3.226
  153   1HG2  ILE  24          1HG2      ILE  24   5.715  -1.057  -6.294
  154   2HG2  ILE  24          2HG2      ILE  24   4.697  -0.950  -4.838
  155   3HG2  ILE  24          3HG2      ILE  24   5.914   0.306  -5.167
  156   1HD1  ILE  24          1HD1      ILE  24   5.759  -3.258  -5.977
  157   2HD1  ILE  24          2HD1      ILE  24   6.258  -4.682  -5.033
  158   3HD1  ILE  24          3HD1      ILE  24   4.613  -4.028  -4.854
  159    H    LYS  25           H        LYS  25   7.600  -0.447  -7.470
  160    HA   LYS  25           HA       LYS  25   9.938   1.221  -6.984
  161   1HB   LYS  25          1HB       LYS  25   8.498   0.233  -9.339
  162   2HB   LYS  25          2HB       LYS  25   8.859   1.945  -9.433
  163   1HG   LYS  25          1HG       LYS  25  10.872   1.137 -10.238
  164   2HG   LYS  25          2HG       LYS  25  11.262   1.125  -8.529
  165   1HD   LYS  25          1HD       LYS  25   9.884  -1.327  -9.555
  166   2HD   LYS  25          2HD       LYS  25  11.508  -1.064 -10.160
  167   1HE   LYS  25          1HE       LYS  25  11.595  -0.515  -7.348
  168   2HE   LYS  25          2HE       LYS  25  10.676  -1.995  -7.534
  169    HA   PRO  26           HA       PRO  26   7.805   4.708  -5.501
  170   1HB   PRO  26          1HB       PRO  26   9.155   6.715  -6.888
  171   2HB   PRO  26          2HB       PRO  26   9.820   5.826  -5.479
  172   1HG   PRO  26          1HG       PRO  26  10.170   5.249  -8.447
  173   2HG   PRO  26          2HG       PRO  26  11.538   5.356  -7.292
  174   1HD   PRO  26          1HD       PRO  26  10.595   2.946  -7.884
  175   2HD   PRO  26          2HD       PRO  26  10.767   3.347  -6.148
  176    H    GLY  27           H        GLY  27   5.729   5.338  -6.084
  177   1HA   GLY  27          2HA       GLY  27   5.317   6.363  -8.786
  178   2HA   GLY  27          1HA       GLY  27   4.231   6.488  -7.417
  179    H    THR  28           H        THR  28   3.706   4.011  -6.515
  180    HA   THR  28           HA       THR  28   2.714   2.607  -8.907
  181    HB   THR  28           HB       THR  28   3.728   1.367  -6.296
  182    HG1  THR  28           HG1      THR  28   5.549   2.088  -7.437
  183   1HG2  THR  28          1HG2      THR  28   2.089  -0.032  -7.630
  184   2HG2  THR  28          2HG2      THR  28   3.149   0.151  -9.048
  185   3HG2  THR  28          3HG2      THR  28   3.728  -0.724  -7.610
  186    H    LYS  29           H        LYS  29   0.580   2.160  -8.978
  187    HA   LYS  29           HA       LYS  29  -1.052   3.338  -6.970
  188   1HB   LYS  29          1HB       LYS  29  -1.499   1.899  -9.564
  189   2HB   LYS  29          2HB       LYS  29  -2.846   2.089  -8.459
  190   1HG   LYS  29          1HG       LYS  29  -3.014   4.337  -8.854
  191   2HG   LYS  29          2HG       LYS  29  -1.280   4.578  -8.771
  192   1HD   LYS  29          1HD       LYS  29  -0.965   4.194 -11.053
  193   2HD   LYS  29          2HD       LYS  29  -2.336   3.109 -11.175
  194   1HE   LYS  29          1HE       LYS  29  -3.302   4.932 -12.210
  195   2HE   LYS  29          2HE       LYS  29  -3.692   5.373 -10.559
  196    H    PHE  30           H        PHE  30  -2.657   2.229  -5.644
  197    HA   PHE  30           HA       PHE  30  -1.526  -0.084  -4.433
  198   1HB   PHE  30          1HB       PHE  30  -2.809   1.837  -3.318
  199   2HB   PHE  30          2HB       PHE  30  -4.256   1.312  -4.155
  200    HD1  PHE  30           HD1      PHE  30  -1.779   0.326  -1.595
  201    HD2  PHE  30           HD2      PHE  30  -5.578  -0.465  -3.312
  202    HE1  PHE  30           HE1      PHE  30  -2.313  -1.228   0.303
  203    HE2  PHE  30           HE2      PHE  30  -6.112  -2.018  -1.415
  204    HZ   PHE  30           HZ       PHE  30  -4.474  -2.382   0.370
  205    H    GLU  31           H        GLU  31  -3.193   0.239  -7.293
  206    HA   GLU  31           HA       GLU  31  -4.695  -2.215  -6.848
  207   1HB   GLU  31          1HB       GLU  31  -5.055   0.154  -8.656
  208   2HB   GLU  31          2HB       GLU  31  -5.572  -1.402  -9.276
  209   1HG   GLU  31          1HG       GLU  31  -7.141  -1.728  -7.493
  210   2HG   GLU  31          2HG       GLU  31  -6.403  -0.488  -6.498
  211    H    ASP  32           H        ASP  32  -1.880  -0.836  -8.343
  212    HA   ASP  32           HA       ASP  32  -1.739  -2.893 -10.340
  213   1HB   ASP  32          1HB       ASP  32   0.243  -0.712  -9.533
  214   2HB   ASP  32          2HB       ASP  32   0.444  -1.773 -10.912
  215    H    LEU  33           H        LEU  33  -1.242  -2.716  -7.046
  216    HA   LEU  33           HA       LEU  33   1.289  -3.604  -6.527
  217   1HB   LEU  33          1HB       LEU  33  -1.359  -4.137  -5.201
  218   2HB   LEU  33          2HB       LEU  33   0.139  -4.784  -4.560
  219    HG   LEU  33           HG       LEU  33  -0.287  -1.830  -5.054
  220   1HD1  LEU  33          1HD1      LEU  33  -1.993  -2.726  -3.480
  221   2HD1  LEU  33          2HD1      LEU  33  -0.672  -3.292  -2.430
  222   3HD1  LEU  33          3HD1      LEU  33  -0.877  -1.551  -2.741
  223   1HD2  LEU  33          1HD2      LEU  33   1.854  -3.493  -3.797
  224   2HD2  LEU  33          2HD2      LEU  33   1.977  -2.051  -4.833
  225   3HD2  LEU  33          3HD2      LEU  33   1.518  -1.881  -3.122
  226    HA   PRO  34           HA       PRO  34   2.346  -7.435  -8.242
  227   1HB   PRO  34          1HB       PRO  34   2.332  -8.422  -5.364
  228   2HB   PRO  34          2HB       PRO  34   3.546  -8.643  -6.666
  229   1HG   PRO  34          1HG       PRO  34   3.776  -6.767  -4.792
  230   2HG   PRO  34          2HG       PRO  34   4.585  -6.469  -6.365
  231   1HD   PRO  34          1HD       PRO  34   2.308  -5.068  -5.154
  232   2HD   PRO  34          2HD       PRO  34   3.117  -4.719  -6.712
  233    H    ASP  35           H        ASP  35   0.444  -8.292  -5.240
  234    HA   ASP  35           HA       ASP  35  -1.964  -8.658  -6.112
  235   1HB   ASP  35          1HB       ASP  35  -0.200 -10.592  -7.530
  236   2HB   ASP  35          2HB       ASP  35  -1.610 -11.327  -6.794
  237    H    ASP  36           H        ASP  36   0.762 -10.819  -5.047
  238    HA   ASP  36           HA       ASP  36  -0.920 -11.918  -2.992
  239   1HB   ASP  36          1HB       ASP  36   1.273 -12.849  -4.497
  240   2HB   ASP  36          2HB       ASP  36   1.947 -12.606  -2.898
  241    H    TRP  37           H        TRP  37   0.099  -8.998  -3.112
  242    HA   TRP  37           HA       TRP  37   2.049  -8.817  -1.018
  243   1HB   TRP  37          1HB       TRP  37   1.936  -7.232  -2.907
  244   2HB   TRP  37          2HB       TRP  37   0.372  -6.678  -2.343
  245    HD1  TRP  37           HD1      TRP  37   4.095  -6.286  -1.609
  246    HE1  TRP  37           HE1      TRP  37   4.548  -4.412   0.194
  247    HE3  TRP  37           HE3      TRP  37  -0.772  -5.650  -0.281
  248    HZ2  TRP  37           HZ2      TRP  37   2.858  -2.909   1.933
  249    HZ3  TRP  37           HZ3      TRP  37  -1.285  -3.959   1.478
  250    HH2  TRP  37           HH2      TRP  37   0.437  -2.613   2.573
  251    H    ALA  38           H        ALA  38   1.660  -8.328   1.164
  252    HA   ALA  38           HA       ALA  38  -1.083  -7.785   1.960
  253   1HB   ALA  38          1HB       ALA  38   0.160 -10.387   2.144
  254   2HB   ALA  38          2HB       ALA  38  -0.112  -9.741   3.780
  255   3HB   ALA  38          3HB       ALA  38  -1.474  -9.888   2.642
  256    H    CYS  39           H        CYS  39  -1.204  -6.912   4.162
  257    HA   CYS  39           HA       CYS  39   0.610  -5.015   4.715
  258   1HB   CYS  39          1HB       CYS  39  -1.579  -5.191   5.780
  259   2HB   CYS  39          2HB       CYS  39  -1.040  -6.571   6.716
  260    HA   PRO  40           HA       PRO  40   4.090  -7.761   5.637
  261   1HB   PRO  40          1HB       PRO  40   5.596  -5.201   5.415
  262   2HB   PRO  40          2HB       PRO  40   5.718  -6.708   4.450
  263   1HG   PRO  40          1HG       PRO  40   4.567  -4.406   3.251
  264   2HG   PRO  40          2HG       PRO  40   4.265  -6.165   3.072
  265   1HD   PRO  40          1HD       PRO  40   2.832  -4.125   4.878
  266   2HD   PRO  40          2HD       PRO  40   2.108  -5.189   3.634
  267    H    VAL  41           H        VAL  41   2.476  -5.300   7.373
  268    HA   VAL  41           HA       VAL  41   4.489  -5.126   9.449
  269    HB   VAL  41           HB       VAL  41   1.692  -3.987   9.308
  270   1HG1  VAL  41          1HG1      VAL  41   2.732  -4.153  11.582
  271   2HG1  VAL  41          2HG1      VAL  41   4.052  -3.109  11.002
  272   3HG1  VAL  41          3HG1      VAL  41   2.386  -2.487  11.059
  273   1HG2  VAL  41          1HG2      VAL  41   4.022  -3.298   7.791
  274   2HG2  VAL  41          2HG2      VAL  41   2.423  -2.515   7.804
  275   3HG2  VAL  41          3HG2      VAL  41   3.684  -1.982   8.942
  276    H    CYS  42           H        CYS  42   0.972  -6.054   9.285
  277    HA   CYS  42           HA       CYS  42   1.513  -7.843  11.530
  278   1HB   CYS  42          1HB       CYS  42  -0.902  -7.823  11.915
  279   2HB   CYS  42          2HB       CYS  42  -0.193  -6.223  12.008
  280    H    GLY  43           H        GLY  43   0.125  -7.533   8.220
  281   1HA   GLY  43          2HA       GLY  43  -0.103 -10.476   8.084
  282   2HA   GLY  43          1HA       GLY  43   0.772  -9.568   6.867
  283    H    ALA  44           H        ALA  44  -2.139  -8.283   8.495
  284    HA   ALA  44           HA       ALA  44  -4.272  -9.023   7.286
  285   1HB   ALA  44          2HB       ALA  44  -3.448  -6.103   7.073
  286   2HB   ALA  44          1HB       ALA  44  -3.909  -6.884   8.605
  287   3HB   ALA  44          3HB       ALA  44  -5.089  -6.760   7.279
  288    H    SER  45           H        SER  45  -5.090  -9.504   5.296
  289    HA   SER  45           HA       SER  45  -3.471  -9.603   3.112
  290   1HB   SER  45          1HB       SER  45  -6.312 -10.004   3.711
  291   2HB   SER  45          2HB       SER  45  -6.097  -9.367   2.093
  292    HG   SER  45           HG       SER  45  -4.847 -11.734   3.200
  293    H    LYS  46           H        LYS  46  -4.731  -8.473   0.883
  294    HA   LYS  46           HA       LYS  46  -4.102  -5.664   1.311
  295   1HB   LYS  46          1HB       LYS  46  -3.017  -7.061  -0.502
  296   2HB   LYS  46          2HB       LYS  46  -4.574  -7.118  -1.303
  297   1HG   LYS  46          1HG       LYS  46  -4.598  -4.545  -1.189
  298   2HG   LYS  46          2HG       LYS  46  -2.930  -4.631  -0.661
  299   1HD   LYS  46          1HD       LYS  46  -3.972  -5.856  -3.259
  300   2HD   LYS  46          2HD       LYS  46  -3.194  -4.290  -3.154
  301   1HE   LYS  46          1HE       LYS  46  -1.090  -5.195  -2.874
  302   2HE   LYS  46          2HE       LYS  46  -1.671  -6.509  -1.870
  303    H    ASP  47           H        ASP  47  -6.580  -6.840   2.411
  304    HA   ASP  47           HA       ASP  47  -8.481  -5.415   0.720
  305   1HB   ASP  47          1HB       ASP  47  -9.073  -7.773   0.908
  306   2HB   ASP  47          2HB       ASP  47  -8.842  -7.752   2.645
  307    H    ALA  48           H        ALA  48  -7.274  -6.144   4.037
  308    HA   ALA  48           HA       ALA  48  -9.023  -4.814   5.615
  309   1HB   ALA  48          3HB       ALA  48  -7.313  -4.811   7.217
  310   2HB   ALA  48          2HB       ALA  48  -6.045  -4.495   6.009
  311   3HB   ALA  48          1HB       ALA  48  -6.798  -6.104   6.108
  312    H    PHE  49           H        PHE  49  -5.990  -3.292   4.296
  313    HA   PHE  49           HA       PHE  49  -6.311  -0.771   4.996
  314   1HB   PHE  49          1HB       PHE  49  -5.677  -1.948   2.227
  315   2HB   PHE  49          2HB       PHE  49  -5.359  -0.270   2.620
  316    HD1  PHE  49           HD1      PHE  49  -3.588   0.321   4.208
  317    HD2  PHE  49           HD2      PHE  49  -4.290  -3.717   3.111
  318    HE1  PHE  49           HE1      PHE  49  -1.345  -0.320   5.135
  319    HE2  PHE  49           HE2      PHE  49  -2.047  -4.359   4.038
  320    HZ   PHE  49           HZ       PHE  49  -0.602  -2.653   5.040
  321    H    GLU  50           H        GLU  50  -7.319   1.174   4.195
  322    HA   GLU  50           HA       GLU  50  -9.381   0.811   2.224
  323   1HB   GLU  50          1HB       GLU  50 -11.086   1.934   3.758
  324   2HB   GLU  50          2HB       GLU  50 -10.688   0.274   4.155
  325   1HG   GLU  50          1HG       GLU  50  -9.278   0.929   5.989
  326   2HG   GLU  50          2HG       GLU  50  -9.200   2.593   5.445
  327    H    LYS  51           H        LYS  51  -9.297   2.541   0.853
  328    HA   LYS  51           HA       LYS  51  -7.524   4.544   0.984
  329   1HB   LYS  51          1HB       LYS  51  -9.156   5.820  -0.498
  330   2HB   LYS  51          2HB       LYS  51  -8.678   4.221  -1.031
  331   1HG   LYS  51          1HG       LYS  51 -10.766   3.242  -0.218
  332   2HG   LYS  51          2HG       LYS  51 -11.217   4.734   0.582
  333   1HD   LYS  51          1HD       LYS  51 -10.823   5.628  -2.004
  334   2HD   LYS  51          2HD       LYS  51 -11.400   4.000  -2.301
  335   1HE   LYS  51          1HE       LYS  51 -13.109   4.966  -0.271
  336   2HE   LYS  51          2HE       LYS  51 -12.879   6.349  -1.324
  337    H    GLN  52           H        GLN  52  -7.094   5.595   2.899
  338    HA   GLN  52           HA       GLN  52  -7.361   6.914   4.606
  339   1HB   GLN  52          1HB       GLN  52  -8.766   8.171   2.397
  340   2HB   GLN  52          2HB       GLN  52  -9.552   8.604   3.901
  341   1HG   GLN  52          1HG       GLN  52  -6.587   8.695   4.046
  342   2HG   GLN  52          2HG       GLN  52  -7.265   9.814   2.880
  343   2HE2  GLN  52          2HE2      GLN  52  -6.813   9.028   6.182
  344   1HE2  GLN  52          1HE2      GLN  52  -7.591  10.397   6.903

  No H/Q in entry =         344
  Start of MODEL    5
    1    H1   MET   1          1H        MET   1  -8.641   9.239  -2.871
    2    H2   MET   1          2H        MET   1  -9.493   8.660  -4.168
    3    H3   MET   1          3H        MET   1  -9.649   7.939  -2.686
    4    HA   MET   1           HA       MET   1  -7.927   6.735  -2.869
    5   1HB   MET   1          1HB       MET   1  -7.355   6.169  -5.235
    6   2HB   MET   1          2HB       MET   1  -9.083   6.401  -5.067
    7   1HG   MET   1          1HG       MET   1  -8.744   8.826  -5.826
    8   2HG   MET   1          2HG       MET   1  -7.076   8.418  -6.176
    9   1HE   MET   1          1HE       MET   1 -10.354   8.862  -7.264
   10   2HE   MET   1          2HE       MET   1  -9.339   9.376  -8.633
   11   3HE   MET   1          3HE       MET   1 -10.521   8.062  -8.845
   12    H    ASP   2           H        ASP   2  -5.697   6.703  -2.551
   13    HA   ASP   2           HA       ASP   2  -3.827   8.096  -3.853
   14   1HB   ASP   2          1HB       ASP   2  -5.341   9.849  -2.040
   15   2HB   ASP   2          2HB       ASP   2  -3.641   9.814  -1.613
   16    H    ILE   3           H        ILE   3  -4.580   8.278  -0.289
   17    HA   ILE   3           HA       ILE   3  -2.256   6.555   0.179
   18    HB   ILE   3           HB       ILE   3  -3.660   8.535   1.977
   19   1HG1  ILE   3          1HG1      ILE   3  -0.811   8.885   1.275
   20   2HG1  ILE   3          2HG1      ILE   3  -1.923   9.079  -0.066
   21   1HG2  ILE   3          1HG2      ILE   3  -1.448   6.560   2.491
   22   2HG2  ILE   3          2HG2      ILE   3  -1.559   8.080   3.410
   23   3HG2  ILE   3          3HG2      ILE   3  -2.900   6.911   3.459
   24   1HD1  ILE   3          1HD1      ILE   3  -3.273  10.499   1.834
   25   2HD1  ILE   3          2HD1      ILE   3  -1.600  10.744   2.393
   26   3HD1  ILE   3          3HD1      ILE   3  -2.068  11.227   0.744
   27    H    TYR   4           H        TYR   4  -2.405   4.839   1.641
   28    HA   TYR   4           HA       TYR   4  -5.170   3.964   2.306
   29   1HB   TYR   4          1HB       TYR   4  -2.956   2.357   0.994
   30   2HB   TYR   4          2HB       TYR   4  -4.408   1.638   1.711
   31    HD1  TYR   4           HD1      TYR   4  -3.343   4.174  -0.839
   32    HD2  TYR   4           HD2      TYR   4  -6.320   1.340   0.410
   33    HE1  TYR   4           HE1      TYR   4  -4.564   4.517  -2.970
   34    HE2  TYR   4           HE2      TYR   4  -7.541   1.683  -1.722
   35    HH   TYR   4           HH       TYR   4  -7.623   2.815  -3.703
   36    H    VAL   5           H        VAL   5  -5.387   2.964   4.352
   37    HA   VAL   5           HA       VAL   5  -2.859   2.539   5.780
   38    HB   VAL   5           HB       VAL   5  -4.095   4.714   6.306
   39   1HG1  VAL   5          1HG1      VAL   5  -6.367   3.567   6.316
   40   2HG1  VAL   5          2HG1      VAL   5  -5.917   2.895   7.902
   41   3HG1  VAL   5          3HG1      VAL   5  -6.031   4.658   7.682
   42   1HG2  VAL   5          1HG2      VAL   5  -3.139   2.656   8.260
   43   2HG2  VAL   5          2HG2      VAL   5  -2.452   4.243   7.841
   44   3HG2  VAL   5          3HG2      VAL   5  -3.887   4.144   8.889
   45    H    CYS   6           H        CYS   6  -2.803   0.725   7.137
   46    HA   CYS   6           HA       CYS   6  -4.718  -1.268   6.491
   47   1HB   CYS   6          1HB       CYS   6  -2.301  -1.710   6.840
   48   2HB   CYS   6          2HB       CYS   6  -2.492  -1.328   8.540
   49    H    THR   7           H        THR   7  -6.209  -2.300   7.996
   50    HA   THR   7           HA       THR   7  -6.971  -0.510  10.199
   51    HB   THR   7           HB       THR   7  -9.179  -1.866   9.900
   52    HG1  THR   7           HG1      THR   7  -9.145  -2.835   7.666
   53   1HG2  THR   7          1HG2      THR   7  -8.450   0.460   8.711
   54   2HG2  THR   7          2HG2      THR   7  -8.511  -0.571   7.261
   55   3HG2  THR   7          3HG2      THR   7  -9.960  -0.376   8.277
   56    H    VAL   8           H        VAL   8  -4.824  -2.789   9.999
   57    HA   VAL   8           HA       VAL   8  -5.894  -4.354  12.242
   58    HB   VAL   8           HB       VAL   8  -3.633  -5.003  10.341
   59   1HG1  VAL   8          1HG1      VAL   8  -3.372  -6.061  12.528
   60   2HG1  VAL   8          2HG1      VAL   8  -5.034  -6.692  12.441
   61   3HG1  VAL   8          3HG1      VAL   8  -3.801  -7.272  11.297
   62   1HG2  VAL   8          1HG2      VAL   8  -6.475  -5.171   9.961
   63   2HG2  VAL   8          2HG2      VAL   8  -5.164  -5.661   8.861
   64   3HG2  VAL   8          3HG2      VAL   8  -5.802  -6.816  10.054
   65    H    CYS   9           H        CYS   9  -3.033  -2.559  10.959
   66    HA   CYS   9           HA       CYS   9  -2.163  -2.303  13.747
   67   1HB   CYS   9          1HB       CYS   9   0.143  -1.897  12.566
   68   2HB   CYS   9          2HB       CYS   9  -0.421  -3.512  12.946
   69    H    GLY  10           H        GLY  10  -1.503  -0.808  10.486
   70   1HA   GLY  10          2HA       GLY  10  -1.748   1.844  11.736
   71   2HA   GLY  10          1HA       GLY  10  -2.749   1.448  10.352
   72    H    TYR  11           H        TYR  11  -1.380   0.252   8.538
   73    HA   TYR  11           HA       TYR  11   1.248   1.594   8.220
   74   1HB   TYR  11          1HB       TYR  11   1.205  -0.838   7.964
   75   2HB   TYR  11          2HB       TYR  11  -0.067  -0.708   6.738
   76    HD1  TYR  11           HD1      TYR  11   3.295   0.874   7.360
   77    HD2  TYR  11           HD2      TYR  11   0.651  -1.051   4.574
   78    HE1  TYR  11           HE1      TYR  11   5.021   1.065   5.589
   79    HE2  TYR  11           HE2      TYR  11   2.377  -0.860   2.804
   80    HH   TYR  11           HH       TYR  11   4.401   0.495   2.263
   81    H    GLU  12           H        GLU  12   0.836   3.688   7.430
   82    HA   GLU  12           HA       GLU  12  -1.238   4.028   5.514
   83   1HB   GLU  12          1HB       GLU  12  -0.531   6.405   5.537
   84   2HB   GLU  12          2HB       GLU  12  -0.757   5.788   7.161
   85   1HG   GLU  12          1HG       GLU  12   1.922   5.195   6.694
   86   2HG   GLU  12          2HG       GLU  12   1.729   6.700   5.818
   87    H    TYR  13           H        TYR  13  -0.692   2.768   3.748
   88    HA   TYR  13           HA       TYR  13   1.887   2.835   2.487
   89   1HB   TYR  13          1HB       TYR  13   0.329   0.952   2.280
   90   2HB   TYR  13          2HB       TYR  13  -0.845   1.995   1.461
   91    HD1  TYR  13           HD1      TYR  13   2.396   0.249   1.147
   92    HD2  TYR  13           HD2      TYR  13  -0.566   2.629  -0.856
   93    HE1  TYR  13           HE1      TYR  13   3.431  -0.301  -1.039
   94    HE2  TYR  13           HE2      TYR  13   0.469   2.079  -3.041
   95    HH   TYR  13           HH       TYR  13   2.683   1.315  -3.956
   96    H    ASP  14           H        ASP  14   2.600   3.991   0.613
   97    HA   ASP  14           HA       ASP  14   0.723   6.042  -0.254
   98   1HB   ASP  14          1HB       ASP  14   2.964   6.563   1.275
   99   2HB   ASP  14          2HB       ASP  14   3.632   6.709  -0.339
  100    HA   PRO  15           HA       PRO  15   2.062   4.487  -4.220
  101   1HB   PRO  15          1HB       PRO  15   0.702   6.238  -5.808
  102   2HB   PRO  15          2HB       PRO  15  -0.144   5.038  -4.778
  103   1HG   PRO  15          1HG       PRO  15   0.077   8.114  -4.128
  104   2HG   PRO  15          2HG       PRO  15  -1.026   6.700  -4.106
  105   1HD   PRO  15          1HD       PRO  15   0.807   7.669  -2.021
  106   2HD   PRO  15          2HD       PRO  15  -0.334   6.292  -1.939
  107    H    ALA  16           H        ALA  16   2.652   7.812  -3.062
  108    HA   ALA  16           HA       ALA  16   4.258   8.528  -5.310
  109   1HB   ALA  16          3HB       ALA  16   4.765  10.509  -3.960
  110   2HB   ALA  16          1HB       ALA  16   3.022  10.156  -3.889
  111   3HB   ALA  16          2HB       ALA  16   4.073   9.730  -2.517
  112    H    LYS  17           H        LYS  17   4.721   6.924  -2.165
  113    HA   LYS  17           HA       LYS  17   7.612   6.973  -2.591
  114   1HB   LYS  17          1HB       LYS  17   5.958   7.204  -0.295
  115   2HB   LYS  17          2HB       LYS  17   6.805   5.678  -0.149
  116   1HG   LYS  17          1HG       LYS  17   8.367   8.114  -1.023
  117   2HG   LYS  17          2HG       LYS  17   7.932   7.963   0.668
  118   1HD   LYS  17          1HD       LYS  17   9.750   6.628   0.920
  119   2HD   LYS  17          2HD       LYS  17   8.886   5.401   0.015
  120   1HE   LYS  17          1HE       LYS  17  10.934   5.655  -1.172
  121   2HE   LYS  17          2HE       LYS  17   9.778   6.560  -2.128
  122    H    GLY  18           H        GLY  18   4.768   4.798  -2.261
  123   1HA   GLY  18          2HA       GLY  18   6.081   2.799  -3.854
  124   2HA   GLY  18          1HA       GLY  18   4.467   2.742  -3.174
  125    H    ASP  19           H        ASP  19   7.264   1.080  -3.143
  126    HA   ASP  19           HA       ASP  19   7.543   0.767  -0.317
  127   1HB   ASP  19          1HB       ASP  19   5.958  -1.097  -1.994
  128   2HB   ASP  19          2HB       ASP  19   7.224  -1.901  -1.087
  129    HA   PRO  20           HA       PRO  20  11.251  -0.038  -3.010
  130   1HB   PRO  20          1HB       PRO  20  12.911   1.786  -1.879
  131   2HB   PRO  20          2HB       PRO  20  11.620   2.283  -3.021
  132   1HG   PRO  20          1HG       PRO  20  11.560   2.274  -0.090
  133   2HG   PRO  20          2HG       PRO  20  11.059   3.654  -1.122
  134   1HD   PRO  20          1HD       PRO  20   9.236   1.923  -0.050
  135   2HD   PRO  20          2HD       PRO  20   9.026   2.563  -1.708
  136    H    ASP  21           H        ASP  21  11.349  -2.191  -1.978
  137    HA   ASP  21           HA       ASP  21  13.510  -2.453  -0.297
  138   1HB   ASP  21          1HB       ASP  21  11.852  -1.505   1.386
  139   2HB   ASP  21          2HB       ASP  21  10.840  -2.910   1.115
  140    H    SER  22           H        SER  22  10.151  -3.823  -0.715
  141    HA   SER  22           HA       SER  22  11.200  -6.464  -0.863
  142   1HB   SER  22          1HB       SER  22   8.436  -5.237  -1.092
  143   2HB   SER  22          2HB       SER  22   8.689  -6.922  -1.502
  144    HG   SER  22           HG       SER  22   9.881  -6.231   0.926
  145    H    GLY  23           H        GLY  23   9.360  -4.269  -3.115
  146   1HA   GLY  23          2HA       GLY  23   9.695  -5.933  -5.384
  147   2HA   GLY  23          1HA       GLY  23  10.951  -4.712  -5.346
  148    H    ILE  24           H        ILE  24   9.658  -2.488  -4.228
  149    HA   ILE  24           HA       ILE  24   7.765  -1.889  -6.371
  150    HB   ILE  24           HB       ILE  24   7.252  -1.089  -3.512
  151   1HG1  ILE  24          1HG1      ILE  24   7.204  -3.559  -3.711
  152   2HG1  ILE  24          2HG1      ILE  24   5.645  -2.863  -3.317
  153   1HG2  ILE  24          1HG2      ILE  24   6.223  -0.182  -5.952
  154   2HG2  ILE  24          2HG2      ILE  24   4.967  -1.250  -5.281
  155   3HG2  ILE  24          3HG2      ILE  24   5.576   0.121  -4.322
  156   1HD1  ILE  24          1HD1      ILE  24   6.084  -3.070  -6.231
  157   2HD1  ILE  24          2HD1      ILE  24   6.135  -4.643  -5.398
  158   3HD1  ILE  24          3HD1      ILE  24   4.698  -3.604  -5.251
  159    H    LYS  25           H        LYS  25   8.156   0.062  -7.331
  160    HA   LYS  25           HA       LYS  25  10.222   1.696  -6.041
  161   1HB   LYS  25          1HB       LYS  25   9.862   0.708  -8.740
  162   2HB   LYS  25          2HB       LYS  25   9.928   2.459  -8.740
  163   1HG   LYS  25          1HG       LYS  25  12.198   2.128  -8.721
  164   2HG   LYS  25          2HG       LYS  25  11.966   1.939  -6.994
  165   1HD   LYS  25          1HD       LYS  25  12.296  -0.347  -7.052
  166   2HD   LYS  25          2HD       LYS  25  11.501  -0.534  -8.603
  167   1HE   LYS  25          1HE       LYS  25  13.447  -0.178  -9.809
  168   2HE   LYS  25          2HE       LYS  25  14.077   0.988  -8.662
  169    HA   PRO  26           HA       PRO  26   7.610   5.021  -5.077
  170   1HB   PRO  26          1HB       PRO  26   9.576   6.683  -6.679
  171   2HB   PRO  26          2HB       PRO  26   8.944   6.903  -5.015
  172   1HG   PRO  26          1HG       PRO  26  11.455   5.874  -5.465
  173   2HG   PRO  26          2HG       PRO  26  10.286   5.500  -4.156
  174   1HD   PRO  26          1HD       PRO  26  11.053   3.909  -6.630
  175   2HD   PRO  26          2HD       PRO  26  10.611   3.322  -4.999
  176    H    GLY  27           H        GLY  27   5.746   5.884  -6.048
  177   1HA   GLY  27          2HA       GLY  27   5.812   6.546  -8.877
  178   2HA   GLY  27          1HA       GLY  27   4.512   6.832  -7.738
  179    H    THR  28           H        THR  28   4.029   4.309  -6.634
  180    HA   THR  28           HA       THR  28   3.185   2.802  -9.019
  181    HB   THR  28           HB       THR  28   4.207   1.711  -6.344
  182    HG1  THR  28           HG1      THR  28   5.949   2.464  -7.635
  183   1HG2  THR  28          1HG2      THR  28   2.492   0.309  -7.755
  184   2HG2  THR  28          2HG2      THR  28   3.798   0.204  -8.960
  185   3HG2  THR  28          3HG2      THR  28   4.037  -0.465  -7.328
  186    H    LYS  29           H        LYS  29   1.048   2.657  -9.232
  187    HA   LYS  29           HA       LYS  29  -0.671   3.706  -7.292
  188   1HB   LYS  29          1HB       LYS  29  -0.866   2.471  -9.948
  189   2HB   LYS  29          2HB       LYS  29  -2.247   2.125  -8.927
  190   1HG   LYS  29          1HG       LYS  29  -2.834   4.396  -8.703
  191   2HG   LYS  29          2HG       LYS  29  -1.205   4.960  -9.016
  192   1HD   LYS  29          1HD       LYS  29  -1.644   5.177 -11.230
  193   2HD   LYS  29          2HD       LYS  29  -2.138   3.500 -11.341
  194   1HE   LYS  29          1HE       LYS  29  -4.101   4.659 -11.968
  195   2HE   LYS  29          2HE       LYS  29  -4.396   4.294 -10.280
  196    H    PHE  30           H        PHE  30  -2.212   2.666  -5.903
  197    HA   PHE  30           HA       PHE  30  -1.132   0.368  -4.642
  198   1HB   PHE  30          1HB       PHE  30  -2.386   2.262  -3.526
  199   2HB   PHE  30          2HB       PHE  30  -3.817   1.862  -4.455
  200    HD1  PHE  30           HD1      PHE  30  -1.565   0.649  -1.789
  201    HD2  PHE  30           HD2      PHE  30  -5.297   0.149  -3.747
  202    HE1  PHE  30           HE1      PHE  30  -2.310  -0.913   0.029
  203    HE2  PHE  30           HE2      PHE  30  -6.042  -1.413  -1.929
  204    HZ   PHE  30           HZ       PHE  30  -4.539  -1.926  -0.062
  205    H    GLU  31           H        GLU  31  -2.831   0.662  -7.512
  206    HA   GLU  31           HA       GLU  31  -4.361  -1.759  -7.032
  207   1HB   GLU  31          1HB       GLU  31  -4.745   0.626  -8.668
  208   2HB   GLU  31          2HB       GLU  31  -4.848  -0.813  -9.664
  209   1HG   GLU  31          1HG       GLU  31  -6.739  -1.617  -8.571
  210   2HG   GLU  31          2HG       GLU  31  -6.285  -0.915  -7.031
  211    H    ASP  32           H        ASP  32  -1.481  -0.495  -8.562
  212    HA   ASP  32           HA       ASP  32  -1.308  -2.655 -10.424
  213   1HB   ASP  32          1HB       ASP  32   0.713  -0.521  -9.591
  214   2HB   ASP  32          2HB       ASP  32   0.955  -1.648 -10.911
  215    H    LEU  33           H        LEU  33  -0.999  -2.425  -7.126
  216    HA   LEU  33           HA       LEU  33   1.512  -3.489  -6.558
  217   1HB   LEU  33          1HB       LEU  33  -1.126  -3.544  -5.104
  218   2HB   LEU  33          2HB       LEU  33   0.331  -4.251  -4.435
  219    HG   LEU  33           HG       LEU  33   0.198  -1.358  -5.302
  220   1HD1  LEU  33          1HD1      LEU  33  -1.570  -1.718  -3.657
  221   2HD1  LEU  33          2HD1      LEU  33  -0.402  -2.479  -2.550
  222   3HD1  LEU  33          3HD1      LEU  33  -0.239  -0.756  -2.969
  223   1HD2  LEU  33          1HD2      LEU  33   2.274  -3.074  -4.314
  224   2HD2  LEU  33          2HD2      LEU  33   2.360  -1.368  -4.817
  225   3HD2  LEU  33          3HD2      LEU  33   1.962  -1.781  -3.132
  226    HA   PRO  34           HA       PRO  34   1.751  -7.581  -7.975
  227   1HB   PRO  34          1HB       PRO  34   2.411  -8.219  -5.079
  228   2HB   PRO  34          2HB       PRO  34   3.256  -8.671  -6.595
  229   1HG   PRO  34          1HG       PRO  34   4.200  -6.577  -5.043
  230   2HG   PRO  34          2HG       PRO  34   4.196  -6.797  -6.823
  231   1HD   PRO  34          1HD       PRO  34   2.448  -5.052  -5.046
  232   2HD   PRO  34          2HD       PRO  34   3.078  -4.722  -6.688
  233    H    ASP  35           H        ASP  35   0.776  -9.840  -7.508
  234    HA   ASP  35           HA       ASP  35  -1.844  -9.372  -6.376
  235   1HB   ASP  35          1HB       ASP  35  -1.143 -10.541  -8.717
  236   2HB   ASP  35          2HB       ASP  35  -1.075 -11.966  -7.700
  237    H    ASP  36           H        ASP  36   0.815  -9.880  -4.870
  238    HA   ASP  36           HA       ASP  36  -0.245 -12.005  -3.229
  239   1HB   ASP  36          1HB       ASP  36   2.196 -12.865  -2.997
  240   2HB   ASP  36          2HB       ASP  36   1.311 -13.312  -4.442
  241    H    TRP  37           H        TRP  37   0.275  -8.925  -3.322
  242    HA   TRP  37           HA       TRP  37   2.290  -8.567  -1.283
  243   1HB   TRP  37          1HB       TRP  37   2.028  -7.008  -3.192
  244   2HB   TRP  37          2HB       TRP  37   0.444  -6.561  -2.590
  245    HD1  TRP  37           HD1      TRP  37   4.169  -6.019  -1.838
  246    HE1  TRP  37           HE1      TRP  37   4.529  -4.079  -0.086
  247    HE3  TRP  37           HE3      TRP  37  -0.745  -5.468  -0.650
  248    HZ2  TRP  37           HZ2      TRP  37   2.759  -2.566   1.563
  249    HZ3  TRP  37           HZ3      TRP  37  -1.344  -3.737   1.040
  250    HH2  TRP  37           HH2      TRP  37   0.315  -2.313   2.134
  251    H    ALA  38           H        ALA  38   1.849  -7.975   0.888
  252    HA   ALA  38           HA       ALA  38  -0.921  -7.689   1.682
  253   1HB   ALA  38          2HB       ALA  38   0.855  -9.904   2.784
  254   2HB   ALA  38          1HB       ALA  38  -0.518 -10.144   1.678
  255   3HB   ALA  38          3HB       ALA  38  -0.797  -9.510   3.318
  256    H    CYS  39           H        CYS  39  -1.110  -6.804   3.872
  257    HA   CYS  39           HA       CYS  39   0.534  -4.771   4.420
  258   1HB   CYS  39          1HB       CYS  39  -1.614  -5.145   5.516
  259   2HB   CYS  39          2HB       CYS  39  -0.940  -6.474   6.439
  260    HA   PRO  40           HA       PRO  40   4.254  -7.204   5.295
  261   1HB   PRO  40          1HB       PRO  40   5.543  -4.538   4.989
  262   2HB   PRO  40          2HB       PRO  40   5.756  -6.047   4.041
  263   1HG   PRO  40          1HG       PRO  40   4.389  -3.854   2.843
  264   2HG   PRO  40          2HG       PRO  40   4.236  -5.636   2.701
  265   1HD   PRO  40          1HD       PRO  40   2.682  -3.697   4.519
  266   2HD   PRO  40          2HD       PRO  40   2.018  -4.829   3.302
  267    H    VAL  41           H        VAL  41   2.481  -4.848   7.021
  268    HA   VAL  41           HA       VAL  41   4.516  -4.450   9.040
  269    HB   VAL  41           HB       VAL  41   1.621  -3.583   8.927
  270   1HG1  VAL  41          1HG1      VAL  41   2.815  -3.669  11.193
  271   2HG1  VAL  41          2HG1      VAL  41   3.842  -2.354  10.573
  272   3HG1  VAL  41          3HG1      VAL  41   2.084  -2.117  10.719
  273   1HG2  VAL  41          1HG2      VAL  41   4.065  -2.531   7.639
  274   2HG2  VAL  41          2HG2      VAL  41   2.350  -2.299   7.220
  275   3HG2  VAL  41          3HG2      VAL  41   3.092  -1.321   8.509
  276    H    CYS  42           H        CYS  42   1.118  -5.753   8.953
  277    HA   CYS  42           HA       CYS  42   1.883  -7.423  11.228
  278   1HB   CYS  42          1HB       CYS  42  -0.508  -7.631  11.682
  279   2HB   CYS  42          2HB       CYS  42   0.035  -5.966  11.718
  280    H    GLY  43           H        GLY  43   0.364  -7.317   7.960
  281   1HA   GLY  43          2HA       GLY  43   0.454 -10.269   7.872
  282   2HA   GLY  43          1HA       GLY  43   1.176  -9.292   6.609
  283    H    ALA  44           H        ALA  44  -1.795  -8.308   8.338
  284    HA   ALA  44           HA       ALA  44  -3.853  -9.343   7.148
  285   1HB   ALA  44          1HB       ALA  44  -3.138  -6.571   7.902
  286   2HB   ALA  44          3HB       ALA  44  -4.559  -7.547   8.345
  287   3HB   ALA  44          2HB       ALA  44  -4.512  -6.702   6.779
  288    H    SER  45           H        SER  45  -4.835  -9.602   5.153
  289    HA   SER  45           HA       SER  45  -3.274  -9.513   2.922
  290   1HB   SER  45          1HB       SER  45  -5.963 -10.220   3.597
  291   2HB   SER  45          2HB       SER  45  -6.061  -9.188   2.185
  292    HG   SER  45           HG       SER  45  -5.596 -10.998   1.125
  293    H    LYS  46           H        LYS  46  -4.651  -8.250   0.826
  294    HA   LYS  46           HA       LYS  46  -4.016  -5.477   1.413
  295   1HB   LYS  46          1HB       LYS  46  -3.079  -6.760  -0.573
  296   2HB   LYS  46          2HB       LYS  46  -4.689  -6.719  -1.263
  297   1HG   LYS  46          1HG       LYS  46  -4.706  -4.280  -1.288
  298   2HG   LYS  46          2HG       LYS  46  -3.234  -4.202  -0.342
  299   1HD   LYS  46          1HD       LYS  46  -2.260  -3.948  -2.414
  300   2HD   LYS  46          2HD       LYS  46  -2.301  -5.700  -2.403
  301   1HE   LYS  46          1HE       LYS  46  -3.227  -4.895  -4.525
  302   2HE   LYS  46          2HE       LYS  46  -4.507  -5.651  -3.596
  303    H    ASP  47           H        ASP  47  -6.455  -6.862   2.510
  304    HA   ASP  47           HA       ASP  47  -8.417  -5.171   1.168
  305   1HB   ASP  47          1HB       ASP  47  -8.585  -7.859   1.324
  306   2HB   ASP  47          2HB       ASP  47  -9.233  -7.495   2.911
  307    H    ALA  48           H        ALA  48  -6.460  -5.598   3.889
  308    HA   ALA  48           HA       ALA  48  -8.427  -4.706   5.832
  309   1HB   ALA  48          3HB       ALA  48  -6.908  -5.406   7.428
  310   2HB   ALA  48          2HB       ALA  48  -5.497  -4.998   6.423
  311   3HB   ALA  48          1HB       ALA  48  -6.441  -6.467   6.078
  312    H    PHE  49           H        PHE  49  -7.323  -3.127   3.371
  313    HA   PHE  49           HA       PHE  49  -6.350  -0.832   4.924
  314   1HB   PHE  49          1HB       PHE  49  -5.918  -1.895   2.085
  315   2HB   PHE  49          2HB       PHE  49  -5.593  -0.211   2.442
  316    HD1  PHE  49           HD1      PHE  49  -4.521  -3.662   3.041
  317    HD2  PHE  49           HD2      PHE  49  -3.688   0.431   3.790
  318    HE1  PHE  49           HE1      PHE  49  -2.226  -4.277   3.849
  319    HE2  PHE  49           HE2      PHE  49  -1.393  -0.184   4.597
  320    HZ   PHE  49           HZ       PHE  49  -0.689  -2.531   4.617
  321    H    GLU  50           H        GLU  50  -7.172   1.286   4.364
  322    HA   GLU  50           HA       GLU  50  -9.368   1.339   2.512
  323   1HB   GLU  50          1HB       GLU  50 -10.861   2.460   4.251
  324   2HB   GLU  50          2HB       GLU  50 -10.616   0.738   4.466
  325   1HG   GLU  50          1HG       GLU  50  -9.053   1.066   6.262
  326   2HG   GLU  50          2HG       GLU  50  -8.825   2.758   5.868
  327    H    LYS  51           H        LYS  51  -9.183   3.188   1.319
  328    HA   LYS  51           HA       LYS  51  -7.197   4.973   1.521
  329   1HB   LYS  51          1HB       LYS  51 -10.026   5.479   0.552
  330   2HB   LYS  51          2HB       LYS  51  -8.659   6.526   0.224
  331   1HG   LYS  51          1HG       LYS  51  -8.425   5.223  -1.649
  332   2HG   LYS  51          2HG       LYS  51  -7.586   4.137  -0.559
  333   1HD   LYS  51          1HD       LYS  51  -9.160   2.546  -0.903
  334   2HD   LYS  51          2HD       LYS  51 -10.398   3.612  -0.269
  335   1HE   LYS  51          1HE       LYS  51  -9.963   4.658  -2.823
  336   2HE   LYS  51          2HE       LYS  51  -9.757   2.938  -3.084
  337    H    GLN  52           H        GLN  52  -6.497   5.961   3.354
  338    HA   GLN  52           HA       GLN  52  -7.945   6.542   5.534
  339   1HB   GLN  52          1HB       GLN  52  -5.431   6.728   5.218
  340   2HB   GLN  52          2HB       GLN  52  -5.687   8.291   4.468
  341   1HG   GLN  52          1HG       GLN  52  -7.093   8.771   6.698
  342   2HG   GLN  52          2HG       GLN  52  -6.106   7.477   7.347
  343   2HE2  GLN  52          1HE2      GLN  52  -5.227   9.062   8.762
  344   1HE2  GLN  52          2HE2      GLN  52  -3.954  10.119   8.252

  No H/Q in entry =         344
  Start of MODEL    6
    1    H1   MET   1          1H        MET   1  -4.811  10.849  -5.490
    2    H2   MET   1          2H        MET   1  -3.751  11.900  -6.205
    3    H3   MET   1          3H        MET   1  -3.631  10.276  -6.501
    4    HA   MET   1           HA       MET   1  -2.284  10.016  -4.930
    5   1HB   MET   1          1HB       MET   1  -2.493  12.872  -5.217
    6   2HB   MET   1          2HB       MET   1  -2.420  12.564  -3.493
    7   1HG   MET   1          1HG       MET   1  -0.156  12.455  -3.785
    8   2HG   MET   1          2HG       MET   1  -0.449  10.852  -4.432
    9   1HE   MET   1          1HE       MET   1   1.942  12.301  -4.926
   10   2HE   MET   1          2HE       MET   1   2.231  12.807  -6.608
   11   3HE   MET   1          3HE       MET   1   1.587  13.972  -5.426
   12    H    ASP   2           H        ASP   2  -3.719   8.494  -3.870
   13    HA   ASP   2           HA       ASP   2  -4.967   9.642  -1.498
   14   1HB   ASP   2          1HB       ASP   2  -5.694   7.007  -2.852
   15   2HB   ASP   2          2HB       ASP   2  -6.582   7.807  -1.571
   16    H    ILE   3           H        ILE   3  -4.671   8.406   0.511
   17    HA   ILE   3           HA       ILE   3  -2.447   6.499   0.336
   18    HB   ILE   3           HB       ILE   3  -3.311   8.388   2.522
   19   1HG1  ILE   3          1HG1      ILE   3  -0.527   8.449   1.675
   20   2HG1  ILE   3          2HG1      ILE   3  -1.609   8.733   0.326
   21   1HG2  ILE   3          1HG2      ILE   3  -2.636   6.134   3.398
   22   2HG2  ILE   3          2HG2      ILE   3  -1.037   6.397   2.662
   23   3HG2  ILE   3          3HG2      ILE   3  -1.619   7.490   3.941
   24   1HD1  ILE   3          1HD1      ILE   3  -2.789  10.500   1.634
   25   2HD1  ILE   3          2HD1      ILE   3  -1.674  10.220   2.993
   26   3HD1  ILE   3          3HD1      ILE   3  -1.055  10.860   1.451
   27    H    TYR   4           H        TYR   4  -2.538   4.588   1.505
   28    HA   TYR   4           HA       TYR   4  -5.307   3.744   2.204
   29   1HB   TYR   4          1HB       TYR   4  -2.922   2.363   1.001
   30   2HB   TYR   4          2HB       TYR   4  -4.106   1.417   1.919
   31    HD1  TYR   4           HD1      TYR   4  -3.748   3.750  -0.977
   32    HD2  TYR   4           HD2      TYR   4  -6.140   0.741   0.941
   33    HE1  TYR   4           HE1      TYR   4  -5.207   3.634  -2.978
   34    HE2  TYR   4           HE2      TYR   4  -7.599   0.626  -1.061
   35    HH   TYR   4           HH       TYR   4  -8.078   2.616  -3.179
   36    H    VAL   5           H        VAL   5  -5.745   2.973   4.287
   37    HA   VAL   5           HA       VAL   5  -3.391   2.809   6.041
   38    HB   VAL   5           HB       VAL   5  -6.216   3.632   6.741
   39   1HG1  VAL   5          1HG1      VAL   5  -4.533   2.518   8.459
   40   2HG1  VAL   5          2HG1      VAL   5  -3.837   4.156   8.486
   41   3HG1  VAL   5          3HG1      VAL   5  -5.544   3.907   8.923
   42   1HG2  VAL   5          1HG2      VAL   5  -4.321   5.139   5.364
   43   2HG2  VAL   5          2HG2      VAL   5  -5.732   5.762   6.254
   44   3HG2  VAL   5          3HG2      VAL   5  -4.145   5.665   7.056
   45    H    CYS   6           H        CYS   6  -3.084   0.925   7.166
   46    HA   CYS   6           HA       CYS   6  -4.603  -1.310   6.392
   47   1HB   CYS   6          1HB       CYS   6  -2.211  -1.392   6.978
   48   2HB   CYS   6          2HB       CYS   6  -2.604  -1.019   8.645
   49    H    THR   7           H        THR   7  -6.001  -2.644   7.772
   50    HA   THR   7           HA       THR   7  -7.296  -1.044   9.875
   51    HB   THR   7           HB       THR   7  -9.207  -2.731   9.333
   52    HG1  THR   7           HG1      THR   7  -8.804  -3.696   7.169
   53   1HG2  THR   7          1HG2      THR   7  -8.190  -0.926   7.074
   54   2HG2  THR   7          2HG2      THR   7  -9.835  -1.594   7.198
   55   3HG2  THR   7          3HG2      THR   7  -9.262  -0.409   8.396
   56    H    VAL   8           H        VAL   8  -4.771  -2.797  10.001
   57    HA   VAL   8           HA       VAL   8  -5.794  -4.583  12.101
   58    HB   VAL   8           HB       VAL   8  -3.444  -4.903  10.227
   59   1HG1  VAL   8          1HG1      VAL   8  -4.218  -6.387  12.732
   60   2HG1  VAL   8          2HG1      VAL   8  -3.365  -7.222  11.411
   61   3HG1  VAL   8          3HG1      VAL   8  -2.617  -5.815  12.204
   62   1HG2  VAL   8          1HG2      VAL   8  -6.206  -5.983  10.321
   63   2HG2  VAL   8          2HG2      VAL   8  -5.119  -5.719   8.936
   64   3HG2  VAL   8          3HG2      VAL   8  -4.919  -7.160   9.962
   65    H    CYS   9           H        CYS   9  -3.036  -2.510  10.996
   66    HA   CYS   9           HA       CYS   9  -2.457  -2.079  13.837
   67   1HB   CYS   9          1HB       CYS   9  -0.127  -1.406  12.767
   68   2HB   CYS   9          2HB       CYS   9  -0.505  -3.043  13.265
   69    H    GLY  10           H        GLY  10  -1.672  -0.575  10.610
   70   1HA   GLY  10          2HA       GLY  10  -1.869   2.077  11.658
   71   2HA   GLY  10          1HA       GLY  10  -3.299   1.635  10.746
   72    H    TYR  11           H        TYR  11   0.223   1.001  10.436
   73    HA   TYR  11           HA       TYR  11   1.689   1.706   8.774
   74   1HB   TYR  11          1HB       TYR  11   0.448  -0.537   8.164
   75   2HB   TYR  11          2HB       TYR  11  -0.277   0.446   6.881
   76    HD1  TYR  11           HD1      TYR  11   3.191   0.530   8.303
   77    HD2  TYR  11           HD2      TYR  11   0.707  -0.283   4.894
   78    HE1  TYR  11           HE1      TYR  11   5.214   0.199   6.908
   79    HE2  TYR  11           HE2      TYR  11   2.731  -0.613   3.499
   80    HH   TYR  11           HH       TYR  11   6.008  -0.033   4.738
   81    H    GLU  12           H        GLU  12   0.892   2.091   5.880
   82    HA   GLU  12           HA       GLU  12  -0.996   3.886   5.412
   83   1HB   GLU  12          1HB       GLU  12   0.354   6.122   5.590
   84   2HB   GLU  12          2HB       GLU  12  -0.426   5.489   7.026
   85   1HG   GLU  12          1HG       GLU  12   2.171   4.262   6.866
   86   2HG   GLU  12          2HG       GLU  12   2.393   5.975   6.569
   87    H    TYR  13           H        TYR  13  -0.561   2.583   3.551
   88    HA   TYR  13           HA       TYR  13   1.883   2.683   2.089
   89   1HB   TYR  13          1HB       TYR  13   0.117   0.947   1.863
   90   2HB   TYR  13          2HB       TYR  13  -0.943   2.153   1.113
   91    HD1  TYR  13           HD1      TYR  13   2.517   0.736   0.710
   92    HD2  TYR  13           HD2      TYR  13  -1.019   2.255  -1.198
   93    HE1  TYR  13           HE1      TYR  13   3.489   0.210  -1.510
   94    HE2  TYR  13           HE2      TYR  13  -0.048   1.729  -3.418
   95    HH   TYR  13           HH       TYR  13   2.192   1.349  -4.470
   96    H    ASP  14           H        ASP  14   2.780   4.421   1.022
   97    HA   ASP  14           HA       ASP  14   0.877   6.445   0.150
   98   1HB   ASP  14          1HB       ASP  14   3.859   6.624   0.785
   99   2HB   ASP  14          2HB       ASP  14   2.935   7.951   0.109
  100    HA   PRO  15           HA       PRO  15   1.982   4.549  -3.835
  101   1HB   PRO  15          1HB       PRO  15   0.136   6.758  -4.725
  102   2HB   PRO  15          2HB       PRO  15   0.098   4.996  -5.060
  103   1HG   PRO  15          1HG       PRO  15  -1.658   6.037  -3.319
  104   2HG   PRO  15          2HG       PRO  15  -0.943   4.403  -3.131
  105   1HD   PRO  15          1HD       PRO  15  -0.230   7.037  -1.772
  106   2HD   PRO  15          2HD       PRO  15  -0.275   5.385  -1.083
  107    H    ALA  16           H        ALA  16   2.368   7.829  -2.573
  108    HA   ALA  16           HA       ALA  16   3.595   8.880  -4.916
  109   1HB   ALA  16          2HB       ALA  16   4.372  10.622  -3.148
  110   2HB   ALA  16          3HB       ALA  16   2.628  10.463  -3.463
  111   3HB   ALA  16          1HB       ALA  16   3.342   9.712  -2.017
  112    H    LYS  17           H        LYS  17   4.637   7.050  -2.039
  113    HA   LYS  17           HA       LYS  17   7.411   7.327  -2.941
  114   1HB   LYS  17          1HB       LYS  17   6.144   7.303  -0.349
  115   2HB   LYS  17          2HB       LYS  17   7.283   5.976  -0.456
  116   1HG   LYS  17          1HG       LYS  17   9.115   7.371  -0.623
  117   2HG   LYS  17          2HG       LYS  17   8.262   8.557  -1.592
  118   1HD   LYS  17          1HD       LYS  17   7.124   8.419   1.105
  119   2HD   LYS  17          2HD       LYS  17   8.849   8.717   1.180
  120   1HE   LYS  17          1HE       LYS  17   8.233  10.908   0.865
  121   2HE   LYS  17          2HE       LYS  17   8.183  10.454  -0.827
  122    H    GLY  18           H        GLY  18   4.808   4.984  -2.109
  123   1HA   GLY  18          2HA       GLY  18   6.094   3.035  -3.860
  124   2HA   GLY  18          1HA       GLY  18   4.465   2.984  -3.217
  125    H    ASP  19           H        ASP  19   7.415   1.471  -3.056
  126    HA   ASP  19           HA       ASP  19   7.576   1.120  -0.249
  127   1HB   ASP  19          1HB       ASP  19   6.058  -0.792  -1.949
  128   2HB   ASP  19          2HB       ASP  19   7.282  -1.553  -0.952
  129    HA   PRO  20           HA       PRO  20  11.562  -0.101  -1.866
  130   1HB   PRO  20          1HB       PRO  20  12.911  -0.376   0.437
  131   2HB   PRO  20          2HB       PRO  20  12.177   1.206   0.017
  132   1HG   PRO  20          1HG       PRO  20  10.847  -0.823   2.088
  133   2HG   PRO  20          2HG       PRO  20  11.259   0.915   1.919
  134   1HD   PRO  20          1HD       PRO  20   8.821  -0.456   1.117
  135   2HD   PRO  20          2HD       PRO  20   9.249   1.258   0.831
  136    H    ASP  21           H        ASP  21  10.075  -2.094   0.814
  137    HA   ASP  21           HA       ASP  21  11.662  -4.312   0.222
  138   1HB   ASP  21          1HB       ASP  21   9.038  -3.909   1.703
  139   2HB   ASP  21          2HB       ASP  21   9.704  -5.517   1.498
  140    H    SER  22           H        SER  22  10.821  -6.424  -0.710
  141    HA   SER  22           HA       SER  22   9.670  -7.662  -2.094
  142   1HB   SER  22          1HB       SER  22   7.659  -5.421  -2.537
  143   2HB   SER  22          2HB       SER  22   7.418  -7.136  -2.805
  144    HG   SER  22           HG       SER  22   7.829  -5.839  -0.246
  145    H    GLY  23           H        GLY  23   9.466  -4.188  -3.172
  146   1HA   GLY  23          2HA       GLY  23  10.617  -5.038  -5.762
  147   2HA   GLY  23          1HA       GLY  23  11.169  -3.618  -4.896
  148    H    ILE  24           H        ILE  24   9.796  -1.733  -4.718
  149    HA   ILE  24           HA       ILE  24   7.727  -1.714  -6.787
  150    HB   ILE  24           HB       ILE  24   7.375  -0.400  -4.098
  151   1HG1  ILE  24          1HG1      ILE  24   7.496  -2.881  -3.874
  152   2HG1  ILE  24          2HG1      ILE  24   5.952  -2.192  -3.415
  153   1HG2  ILE  24          1HG2      ILE  24   6.191   0.392  -6.276
  154   2HG2  ILE  24          2HG2      ILE  24   5.200  -1.070  -6.058
  155   3HG2  ILE  24          3HG2      ILE  24   5.243   0.173  -4.785
  156   1HD1  ILE  24          1HD1      ILE  24   6.341  -3.122  -6.266
  157   2HD1  ILE  24          2HD1      ILE  24   6.033  -4.321  -4.986
  158   3HD1  ILE  24          3HD1      ILE  24   4.845  -3.034  -5.305
  159    H    LYS  25           H        LYS  25   7.529   0.273  -7.911
  160    HA   LYS  25           HA       LYS  25   9.866   1.980  -7.546
  161   1HB   LYS  25          1HB       LYS  25   8.186   1.141  -9.834
  162   2HB   LYS  25          2HB       LYS  25   8.685   2.820  -9.857
  163   1HG   LYS  25          1HG       LYS  25  10.818   2.259 -10.395
  164   2HG   LYS  25          2HG       LYS  25  10.930   1.146  -9.046
  165   1HD   LYS  25          1HD       LYS  25   9.682  -0.577 -10.421
  166   2HD   LYS  25          2HD       LYS  25   9.706   0.533 -11.778
  167   1HE   LYS  25          1HE       LYS  25  12.278   0.593 -11.515
  168   2HE   LYS  25          2HE       LYS  25  12.107  -0.748 -10.399
  169    HA   PRO  26           HA       PRO  26   7.759   5.322  -5.729
  170   1HB   PRO  26          1HB       PRO  26   8.898   7.448  -7.095
  171   2HB   PRO  26          2HB       PRO  26   9.758   6.482  -5.852
  172   1HG   PRO  26          1HG       PRO  26   9.798   6.095  -8.810
  173   2HG   PRO  26          2HG       PRO  26  11.300   6.177  -7.834
  174   1HD   PRO  26          1HD       PRO  26  10.384   3.776  -8.426
  175   2HD   PRO  26          2HD       PRO  26  10.694   4.096  -6.693
  176    H    GLY  27           H        GLY  27   5.568   5.619  -6.156
  177   1HA   GLY  27          2HA       GLY  27   4.886   6.861  -8.726
  178   2HA   GLY  27          1HA       GLY  27   3.912   6.838  -7.269
  179    H    THR  28           H        THR  28   3.492   4.357  -6.475
  180    HA   THR  28           HA       THR  28   2.500   2.967  -8.876
  181    HB   THR  28           HB       THR  28   3.630   1.735  -6.308
  182    HG1  THR  28           HG1      THR  28   5.325   2.628  -7.583
  183   1HG2  THR  28          1HG2      THR  28   1.927   0.372  -7.719
  184   2HG2  THR  28          2HG2      THR  28   3.129   0.442  -9.030
  185   3HG2  THR  28          3HG2      THR  28   3.532  -0.367  -7.497
  186    H    LYS  29           H        LYS  29   0.388   2.405  -8.909
  187    HA   LYS  29           HA       LYS  29  -1.243   3.480  -6.828
  188   1HB   LYS  29          1HB       LYS  29  -1.613   2.345  -9.537
  189   2HB   LYS  29          2HB       LYS  29  -2.947   2.080  -8.432
  190   1HG   LYS  29          1HG       LYS  29  -3.430   4.182  -9.445
  191   2HG   LYS  29          2HG       LYS  29  -2.801   4.598  -7.863
  192   1HD   LYS  29          1HD       LYS  29  -0.768   5.394  -8.716
  193   2HD   LYS  29          2HD       LYS  29  -0.827   4.358 -10.128
  194   1HE   LYS  29          1HE       LYS  29  -3.057   5.909 -10.570
  195   2HE   LYS  29          2HE       LYS  29  -2.054   7.050  -9.698
  196    H    PHE  30           H        PHE  30  -3.037   2.103  -5.820
  197    HA   PHE  30           HA       PHE  30  -1.745  -0.168  -4.612
  198   1HB   PHE  30          1HB       PHE  30  -3.139   1.633  -3.425
  199   2HB   PHE  30          2HB       PHE  30  -4.543   1.080  -4.315
  200    HD1  PHE  30           HD1      PHE  30  -2.133   0.196  -1.682
  201    HD2  PHE  30           HD2      PHE  30  -5.714  -0.910  -3.672
  202    HE1  PHE  30           HE1      PHE  30  -2.618  -1.480   0.123
  203    HE2  PHE  30           HE2      PHE  30  -6.199  -2.586  -1.867
  204    HZ   PHE  30           HZ       PHE  30  -4.646  -2.851   0.009
  205    H    GLU  31           H        GLU  31  -3.318   0.222  -7.498
  206    HA   GLU  31           HA       GLU  31  -4.723  -2.316  -7.224
  207   1HB   GLU  31          1HB       GLU  31  -5.241   0.172  -8.773
  208   2HB   GLU  31          2HB       GLU  31  -5.522  -1.311  -9.663
  209   1HG   GLU  31          1HG       GLU  31  -6.631  -0.970  -6.855
  210   2HG   GLU  31          2HG       GLU  31  -7.481  -0.298  -8.232
  211    H    ASP  32           H        ASP  32  -1.817  -0.953  -8.258
  212    HA   ASP  32           HA       ASP  32  -1.577  -2.834 -10.458
  213   1HB   ASP  32          1HB       ASP  32   0.118  -0.446  -9.597
  214   2HB   ASP  32          2HB       ASP  32   0.594  -1.534 -10.887
  215    H    LEU  33           H        LEU  33  -1.189  -2.748  -7.174
  216    HA   LEU  33           HA       LEU  33   1.430  -3.442  -6.653
  217   1HB   LEU  33          1HB       LEU  33  -1.180  -4.104  -5.310
  218   2HB   LEU  33          2HB       LEU  33   0.352  -4.671  -4.676
  219    HG   LEU  33           HG       LEU  33  -0.234  -1.745  -5.176
  220   1HD1  LEU  33          1HD1      LEU  33  -1.882  -2.647  -3.593
  221   2HD1  LEU  33          2HD1      LEU  33  -0.560  -3.272  -2.579
  222   3HD1  LEU  33          3HD1      LEU  33  -0.751  -1.518  -2.810
  223   1HD2  LEU  33          1HD2      LEU  33   1.968  -3.260  -3.790
  224   2HD2  LEU  33          2HD2      LEU  33   2.076  -1.986  -5.029
  225   3HD2  LEU  33          3HD2      LEU  33   1.598  -1.571  -3.365
  226    HA   PRO  34           HA       PRO  34   2.647  -7.225  -8.371
  227   1HB   PRO  34          1HB       PRO  34   2.771  -8.125  -5.458
  228   2HB   PRO  34          2HB       PRO  34   3.924  -8.392  -6.805
  229   1HG   PRO  34          1HG       PRO  34   4.193  -6.471  -5.033
  230   2HG   PRO  34          2HG       PRO  34   4.879  -6.052  -6.637
  231   1HD   PRO  34          1HD       PRO  34   2.547  -4.916  -5.247
  232   2HD   PRO  34          2HD       PRO  34   3.258  -4.414  -6.810
  233    H    ASP  35           H        ASP  35   0.873  -8.140  -5.306
  234    HA   ASP  35           HA       ASP  35  -1.529  -8.660  -6.094
  235   1HB   ASP  35          1HB       ASP  35  -1.173  -9.879  -8.059
  236   2HB   ASP  35          2HB       ASP  35   0.303 -10.613  -7.464
  237    H    ASP  36           H        ASP  36   1.376 -10.590  -5.081
  238    HA   ASP  36           HA       ASP  36  -0.171 -11.825  -2.995
  239   1HB   ASP  36          1HB       ASP  36   2.355 -12.334  -4.409
  240   2HB   ASP  36          2HB       ASP  36   2.564 -12.488  -2.676
  241    H    TRP  37           H        TRP  37   0.571  -8.833  -3.128
  242    HA   TRP  37           HA       TRP  37   2.553  -8.465  -1.092
  243   1HB   TRP  37          1HB       TRP  37   2.204  -6.896  -2.975
  244   2HB   TRP  37          2HB       TRP  37   0.626  -6.491  -2.330
  245    HD1  TRP  37           HD1      TRP  37   4.342  -5.810  -1.726
  246    HE1  TRP  37           HE1      TRP  37   4.705  -3.893   0.051
  247    HE3  TRP  37           HE3      TRP  37  -0.522  -5.516  -0.274
  248    HZ2  TRP  37           HZ2      TRP  37   2.955  -2.500   1.825
  249    HZ3  TRP  37           HZ3      TRP  37  -1.110  -3.852   1.485
  250    HH2  TRP  37           HH2      TRP  37   0.536  -2.375   2.526
  251    H    ALA  38           H        ALA  38   2.167  -7.850   1.092
  252    HA   ALA  38           HA       ALA  38  -0.578  -7.641   1.980
  253   1HB   ALA  38          1HB       ALA  38   0.741 -10.141   2.015
  254   2HB   ALA  38          2HB       ALA  38   0.805  -9.538   3.689
  255   3HB   ALA  38          3HB       ALA  38  -0.762  -9.701   2.861
  256    H    CYS  39           H        CYS  39  -0.723  -6.716   4.138
  257    HA   CYS  39           HA       CYS  39   0.961  -4.691   4.639
  258   1HB   CYS  39          1HB       CYS  39  -1.206  -5.011   5.730
  259   2HB   CYS  39          2HB       CYS  39  -0.549  -6.318   6.695
  260    HA   PRO  40           HA       PRO  40   4.629  -7.174   5.574
  261   1HB   PRO  40          1HB       PRO  40   5.956  -4.524   5.286
  262   2HB   PRO  40          2HB       PRO  40   6.169  -6.038   4.347
  263   1HG   PRO  40          1HG       PRO  40   4.852  -3.839   3.123
  264   2HG   PRO  40          2HG       PRO  40   4.666  -5.617   2.973
  265   1HD   PRO  40          1HD       PRO  40   3.119  -3.648   4.764
  266   2HD   PRO  40          2HD       PRO  40   2.456  -4.780   3.547
  267    H    VAL  41           H        VAL  41   2.887  -4.758   7.268
  268    HA   VAL  41           HA       VAL  41   4.898  -4.430   9.324
  269    HB   VAL  41           HB       VAL  41   2.043  -3.448   9.134
  270   1HG1  VAL  41          1HG1      VAL  41   2.929  -3.534  11.442
  271   2HG1  VAL  41          2HG1      VAL  41   4.312  -2.534  10.936
  272   3HG1  VAL  41          3HG1      VAL  41   2.663  -1.865  10.883
  273   1HG2  VAL  41          1HG2      VAL  41   4.463  -2.592   7.783
  274   2HG2  VAL  41          2HG2      VAL  41   2.787  -2.026   7.581
  275   3HG2  VAL  41          3HG2      VAL  41   3.828  -1.299   8.829
  276    H    CYS  42           H        CYS  42   1.405  -5.448   9.333
  277    HA   CYS  42           HA       CYS  42   2.048  -7.142  11.606
  278   1HB   CYS  42          1HB       CYS  42  -0.354  -7.301  11.942
  279   2HB   CYS  42          2HB       CYS  42   0.185  -5.634  11.899
  280    H    GLY  43           H        GLY  43   0.565  -7.169   8.301
  281   1HA   GLY  43          2HA       GLY  43   0.718 -10.116   8.309
  282   2HA   GLY  43          1HA       GLY  43   1.476  -9.182   7.035
  283    H    ALA  44           H        ALA  44  -1.578  -8.236   8.664
  284    HA   ALA  44           HA       ALA  44  -3.596  -9.272   7.484
  285   1HB   ALA  44          1HB       ALA  44  -3.315  -6.951   8.694
  286   2HB   ALA  44          2HB       ALA  44  -3.345  -6.299   7.039
  287   3HB   ALA  44          3HB       ALA  44  -4.728  -7.238   7.651
  288    H    SER  45           H        SER  45  -4.352  -9.903   5.511
  289    HA   SER  45           HA       SER  45  -2.751  -9.857   3.320
  290   1HB   SER  45          1HB       SER  45  -5.380 -10.753   3.993
  291   2HB   SER  45          2HB       SER  45  -5.535  -9.861   2.493
  292    HG   SER  45           HG       SER  45  -5.044 -12.001   1.947
  293    H    LYS  46           H        LYS  46  -4.056  -8.921   1.062
  294    HA   LYS  46           HA       LYS  46  -3.801  -6.049   1.443
  295   1HB   LYS  46          1HB       LYS  46  -2.497  -7.317  -0.310
  296   2HB   LYS  46          2HB       LYS  46  -4.009  -7.615  -1.142
  297   1HG   LYS  46          1HG       LYS  46  -4.419  -5.158  -1.303
  298   2HG   LYS  46          2HG       LYS  46  -2.926  -4.845  -0.440
  299   1HD   LYS  46          1HD       LYS  46  -2.111  -4.663  -2.597
  300   2HD   LYS  46          2HD       LYS  46  -1.886  -6.388  -2.385
  301   1HE   LYS  46          1HE       LYS  46  -3.524  -6.919  -3.903
  302   2HE   LYS  46          2HE       LYS  46  -4.610  -5.676  -3.317
  303    H    ASP  47           H        ASP  47  -6.140  -7.497   2.514
  304    HA   ASP  47           HA       ASP  47  -8.130  -6.138   0.879
  305   1HB   ASP  47          1HB       ASP  47  -8.142  -8.723   0.743
  306   2HB   ASP  47          2HB       ASP  47  -8.628  -8.717   2.426
  307    H    ALA  48           H        ALA  48  -6.619  -5.181   3.222
  308    HA   ALA  48           HA       ALA  48  -8.808  -5.057   5.180
  309   1HB   ALA  48          2HB       ALA  48  -6.481  -4.546   6.600
  310   2HB   ALA  48          3HB       ALA  48  -7.359  -6.094   6.573
  311   3HB   ALA  48          1HB       ALA  48  -5.983  -5.833   5.475
  312    H    PHE  49           H        PHE  49  -5.977  -3.464   3.615
  313    HA   PHE  49           HA       PHE  49  -6.204  -0.993   4.800
  314   1HB   PHE  49          1HB       PHE  49  -5.430  -1.991   2.003
  315   2HB   PHE  49          2HB       PHE  49  -5.230  -0.306   2.443
  316    HD1  PHE  49           HD1      PHE  49  -4.008  -3.709   2.977
  317    HD2  PHE  49           HD2      PHE  49  -3.522   0.371   4.037
  318    HE1  PHE  49           HE1      PHE  49  -1.767  -4.236   3.978
  319    HE2  PHE  49           HE2      PHE  49  -1.281  -0.156   5.038
  320    HZ   PHE  49           HZ       PHE  49  -0.431  -2.453   4.996
  321    H    GLU  50           H        GLU  50  -7.179   1.020   4.122
  322    HA   GLU  50           HA       GLU  50  -9.212   0.791   2.092
  323   1HB   GLU  50          1HB       GLU  50 -10.909   1.874   3.661
  324   2HB   GLU  50          2HB       GLU  50 -10.539   0.194   3.993
  325   1HG   GLU  50          1HG       GLU  50  -9.139   0.750   5.864
  326   2HG   GLU  50          2HG       GLU  50  -9.018   2.431   5.384
  327    H    LYS  51           H        LYS  51  -9.128   2.591   0.809
  328    HA   LYS  51           HA       LYS  51  -7.301   4.576   1.127
  329   1HB   LYS  51          1HB       LYS  51  -8.518   4.044  -0.954
  330   2HB   LYS  51          2HB       LYS  51  -9.977   4.750  -0.290
  331   1HG   LYS  51          1HG       LYS  51  -8.063   6.759   0.120
  332   2HG   LYS  51          2HG       LYS  51  -7.600   6.084  -1.429
  333   1HD   LYS  51          1HD       LYS  51 -10.506   6.763  -0.865
  334   2HD   LYS  51          2HD       LYS  51  -9.386   8.018  -1.356
  335   1HE   LYS  51          1HE       LYS  51  -8.871   5.930  -3.174
  336   2HE   LYS  51          2HE       LYS  51 -10.611   5.876  -2.968
  337    H    GLN  52           H        GLN  52  -7.056   5.610   3.080
  338    HA   GLN  52           HA       GLN  52  -7.449   7.012   4.689
  339   1HB   GLN  52          1HB       GLN  52  -8.836   8.114   2.473
  340   2HB   GLN  52          2HB       GLN  52  -9.932   8.285   3.829
  341   1HG   GLN  52          1HG       GLN  52  -8.137   9.383   5.164
  342   2HG   GLN  52          2HG       GLN  52  -7.008   9.174   3.840
  343   2HE2  GLN  52          2HE2      GLN  52  -9.042  11.277   5.317
  344   1HE2  GLN  52          1HE2      GLN  52  -9.360  12.403   4.039

  No H/Q in entry =         344
  Start of MODEL    7
    1    H1   MET   1          1H        MET   1  -3.972  11.956  -4.803
    2    H2   MET   1          2H        MET   1  -4.048  13.583  -4.503
    3    H3   MET   1          3H        MET   1  -2.902  12.655  -3.750
    4    HA   MET   1           HA       MET   1  -4.177  12.516  -2.091
    5   1HB   MET   1          1HB       MET   1  -5.574  14.339  -3.603
    6   2HB   MET   1          2HB       MET   1  -6.766  13.056  -3.540
    7   1HG   MET   1          1HG       MET   1  -5.390  14.004  -0.999
    8   2HG   MET   1          2HG       MET   1  -6.767  14.877  -1.641
    9   1HE   MET   1          1HE       MET   1  -8.339  14.816  -0.373
   10   2HE   MET   1          2HE       MET   1  -9.565  13.525  -0.410
   11   3HE   MET   1          3HE       MET   1  -8.473  13.677   0.988
   12    H    ASP   2           H        ASP   2  -3.793  10.227  -2.048
   13    HA   ASP   2           HA       ASP   2  -6.137   8.719  -2.151
   14   1HB   ASP   2          1HB       ASP   2  -4.361   8.682  -4.532
   15   2HB   ASP   2          2HB       ASP   2  -4.690   7.087  -3.885
   16    H    ILE   3           H        ILE   3  -5.195   8.447   0.053
   17    HA   ILE   3           HA       ILE   3  -2.786   6.776   0.087
   18    HB   ILE   3           HB       ILE   3  -3.887   8.869   1.878
   19   1HG1  ILE   3          1HG1      ILE   3  -2.012   9.392   0.444
   20   2HG1  ILE   3          2HG1      ILE   3  -1.498   9.410   2.119
   21   1HG2  ILE   3          1HG2      ILE   3  -3.980   6.904   3.326
   22   2HG2  ILE   3          2HG2      ILE   3  -2.286   6.522   2.934
   23   3HG2  ILE   3          3HG2      ILE   3  -2.680   8.012   3.825
   24   1HD1  ILE   3          1HD1      ILE   3  -1.141   6.725   1.217
   25   2HD1  ILE   3          2HD1      ILE   3  -0.500   7.785  -0.061
   26   3HD1  ILE   3          3HD1      ILE   3   0.122   7.919   1.602
   27    H    TYR   4           H        TYR   4  -2.740   4.986   1.548
   28    HA   TYR   4           HA       TYR   4  -5.433   3.922   2.237
   29   1HB   TYR   4          1HB       TYR   4  -3.154   2.563   0.776
   30   2HB   TYR   4          2HB       TYR   4  -4.457   1.662   1.569
   31    HD1  TYR   4           HD1      TYR   4  -3.779   4.241  -1.049
   32    HD2  TYR   4           HD2      TYR   4  -6.517   1.309   0.487
   33    HE1  TYR   4           HE1      TYR   4  -5.188   4.496  -3.074
   34    HE2  TYR   4           HE2      TYR   4  -7.926   1.564  -1.538
   35    HH   TYR   4           HH       TYR   4  -7.749   4.081  -3.670
   36    H    VAL   5           H        VAL   5  -5.559   2.857   4.253
   37    HA   VAL   5           HA       VAL   5  -2.993   2.450   5.609
   38    HB   VAL   5           HB       VAL   5  -4.259   4.635   6.176
   39   1HG1  VAL   5          1HG1      VAL   5  -6.491   3.579   6.387
   40   2HG1  VAL   5          2HG1      VAL   5  -5.907   2.666   7.799
   41   3HG1  VAL   5          3HG1      VAL   5  -6.001   4.442   7.865
   42   1HG2  VAL   5          1HG2      VAL   5  -2.535   2.976   7.592
   43   2HG2  VAL   5          2HG2      VAL   5  -2.950   4.660   7.994
   44   3HG2  VAL   5          3HG2      VAL   5  -3.840   3.318   8.752
   45    H    CYS   6           H        CYS   6  -2.980   0.705   7.119
   46    HA   CYS   6           HA       CYS   6  -4.879  -1.313   6.451
   47   1HB   CYS   6          1HB       CYS   6  -2.452  -1.731   6.836
   48   2HB   CYS   6          2HB       CYS   6  -2.685  -1.363   8.534
   49    H    THR   7           H        THR   7  -6.378  -2.323   7.964
   50    HA   THR   7           HA       THR   7  -7.160  -0.496  10.129
   51    HB   THR   7           HB       THR   7  -9.356  -1.888   9.840
   52    HG1  THR   7           HG1      THR   7  -9.267  -2.795   7.543
   53   1HG2  THR   7          1HG2      THR   7  -8.185   0.119   7.944
   54   2HG2  THR   7          2HG2      THR   7  -9.562  -0.822   7.321
   55   3HG2  THR   7          3HG2      THR   7  -9.745   0.151   8.801
   56    H    VAL   8           H        VAL   8  -5.026  -2.817   9.949
   57    HA   VAL   8           HA       VAL   8  -6.096  -4.327  12.227
   58    HB   VAL   8           HB       VAL   8  -3.844  -4.989  10.318
   59   1HG1  VAL   8          1HG1      VAL   8  -4.938  -6.322  12.769
   60   2HG1  VAL   8          2HG1      VAL   8  -4.373  -7.339  11.422
   61   3HG1  VAL   8          3HG1      VAL   8  -3.259  -6.185  12.194
   62   1HG2  VAL   8          1HG2      VAL   8  -6.715  -5.294  10.083
   63   2HG2  VAL   8          2HG2      VAL   8  -5.434  -5.653   8.899
   64   3HG2  VAL   8          3HG2      VAL   8  -5.912  -6.883  10.094
   65    H    CYS   9           H        CYS   9  -3.215  -2.567  10.934
   66    HA   CYS   9           HA       CYS   9  -2.349  -2.287  13.720
   67   1HB   CYS   9          1HB       CYS   9  -0.066  -1.811  12.516
   68   2HB   CYS   9          2HB       CYS   9  -0.586  -3.443  12.887
   69    H    GLY  10           H        GLY  10  -1.807  -0.741  10.461
   70   1HA   GLY  10          2HA       GLY  10  -2.272   1.880  11.749
   71   2HA   GLY  10          1HA       GLY  10  -2.999   1.451  10.214
   72    H    TYR  11           H        TYR  11  -1.283   0.423   8.620
   73    HA   TYR  11           HA       TYR  11   1.183   2.093   8.712
   74   1HB   TYR  11          1HB       TYR  11   1.896  -0.123   8.682
   75   2HB   TYR  11          2HB       TYR  11   0.552  -0.652   7.656
   76    HD1  TYR  11           HD1      TYR  11   3.750   1.268   7.653
   77    HD2  TYR  11           HD2      TYR  11   0.767  -0.739   5.303
   78    HE1  TYR  11           HE1      TYR  11   5.206   1.446   5.653
   79    HE2  TYR  11           HE2      TYR  11   2.223  -0.562   3.303
   80    HH   TYR  11           HH       TYR  11   4.829  -0.301   2.868
   81    H    GLU  12           H        GLU  12   0.221   4.000   7.736
   82    HA   GLU  12           HA       GLU  12  -1.408   3.903   5.534
   83   1HB   GLU  12          1HB       GLU  12  -0.563   6.291   5.150
   84   2HB   GLU  12          2HB       GLU  12  -1.234   5.958   6.734
   85   1HG   GLU  12          1HG       GLU  12   1.573   5.300   6.822
   86   2HG   GLU  12          2HG       GLU  12   1.422   6.877   6.071
   87    H    TYR  13           H        TYR  13  -1.007   2.936   3.665
   88    HA   TYR  13           HA       TYR  13   1.732   2.649   2.668
   89   1HB   TYR  13          1HB       TYR  13   0.341   0.736   2.450
   90   2HB   TYR  13          2HB       TYR  13  -0.996   1.687   1.780
   91    HD1  TYR  13           HD1      TYR  13   2.278   0.139   1.071
   92    HD2  TYR  13           HD2      TYR  13  -1.030   2.345  -0.555
   93    HE1  TYR  13           HE1      TYR  13   3.073  -0.361  -1.224
   94    HE2  TYR  13           HE2      TYR  13  -0.234   1.845  -2.850
   95    HH   TYR  13           HH       TYR  13   2.400   1.160  -3.841
   96    H    ASP  14           H        ASP  14   2.691   4.276   1.483
   97    HA   ASP  14           HA       ASP  14   0.909   6.126   0.174
   98   1HB   ASP  14          1HB       ASP  14   3.415   6.332   1.475
   99   2HB   ASP  14          2HB       ASP  14   3.788   6.575  -0.220
  100    HA   PRO  15           HA       PRO  15   1.890   4.227  -3.755
  101   1HB   PRO  15          1HB       PRO  15   0.483   5.834  -5.380
  102   2HB   PRO  15          2HB       PRO  15  -0.356   4.904  -4.096
  103   1HG   PRO  15          1HG       PRO  15   0.491   7.932  -3.882
  104   2HG   PRO  15          2HG       PRO  15  -1.024   7.032  -3.546
  105   1HD   PRO  15          1HD       PRO  15   1.052   7.628  -1.683
  106   2HD   PRO  15          2HD       PRO  15  -0.221   6.390  -1.462
  107    H    ALA  16           H        ALA  16   2.584   7.678  -2.994
  108    HA   ALA  16           HA       ALA  16   4.159   8.051  -5.344
  109   1HB   ALA  16          2HB       ALA  16   4.828   9.906  -3.265
  110   2HB   ALA  16          1HB       ALA  16   3.073   9.615  -3.199
  111   3HB   ALA  16          3HB       ALA  16   3.825  10.178  -4.711
  112    H    LYS  17           H        LYS  17   4.605   6.606  -2.182
  113    HA   LYS  17           HA       LYS  17   7.509   6.741  -2.504
  114   1HB   LYS  17          1HB       LYS  17   5.757   6.933  -0.260
  115   2HB   LYS  17          2HB       LYS  17   6.703   5.471  -0.065
  116   1HG   LYS  17          1HG       LYS  17   8.791   6.844  -0.587
  117   2HG   LYS  17          2HG       LYS  17   7.788   8.281  -0.566
  118   1HD   LYS  17          1HD       LYS  17   7.647   8.303   1.719
  119   2HD   LYS  17          2HD       LYS  17   7.383   6.573   1.816
  120   1HE   LYS  17          1HE       LYS  17   9.603   6.129   2.175
  121   2HE   LYS  17          2HE       LYS  17  10.127   7.260   0.943
  122    H    GLY  18           H        GLY  18   4.789   4.420  -1.914
  123   1HA   GLY  18          2HA       GLY  18   6.000   2.474  -3.632
  124   2HA   GLY  18          1HA       GLY  18   4.527   2.311  -2.697
  125    H    ASP  19           H        ASP  19   7.330   0.788  -3.103
  126    HA   ASP  19           HA       ASP  19   8.082   0.590  -0.335
  127   1HB   ASP  19          1HB       ASP  19   6.145  -1.120  -1.145
  128   2HB   ASP  19          2HB       ASP  19   7.527  -2.012  -1.749
  129    HA   PRO  20           HA       PRO  20  11.303   0.369  -3.809
  130   1HB   PRO  20          1HB       PRO  20  13.016   2.081  -2.389
  131   2HB   PRO  20          2HB       PRO  20  11.805   2.601  -3.606
  132   1HG   PRO  20          1HG       PRO  20  11.638   2.442  -0.741
  133   2HG   PRO  20          2HG       PRO  20  11.029   3.892  -1.605
  134   1HD   PRO  20          1HD       PRO  20   9.232   2.140  -0.804
  135   2HD   PRO  20          2HD       PRO  20   9.182   2.577  -2.539
  136    H    ASP  21           H        ASP  21  13.995   0.412  -2.824
  137    HA   ASP  21           HA       ASP  21  15.472  -0.857  -1.872
  138   1HB   ASP  21          1HB       ASP  21  13.307  -0.865   0.228
  139   2HB   ASP  21          2HB       ASP  21  14.628  -2.000   0.423
  140    H    SER  22           H        SER  22  14.251  -2.124  -3.938
  141    HA   SER  22           HA       SER  22  13.831  -4.048  -4.846
  142   1HB   SER  22          1HB       SER  22  15.516  -4.699  -2.610
  143   2HB   SER  22          2HB       SER  22  14.313  -5.966  -2.740
  144    HG   SER  22           HG       SER  22  15.598  -5.081  -5.135
  145    H    GLY  23           H        GLY  23  11.610  -4.100  -5.174
  146   1HA   GLY  23          2HA       GLY  23   9.835  -4.614  -2.924
  147   2HA   GLY  23          1HA       GLY  23   9.922  -5.873  -4.139
  148    H    ILE  24           H        ILE  24   9.099  -2.438  -3.536
  149    HA   ILE  24           HA       ILE  24   7.624  -2.457  -6.076
  150    HB   ILE  24           HB       ILE  24   6.746  -1.283  -3.435
  151   1HG1  ILE  24          1HG1      ILE  24   6.635  -3.728  -3.428
  152   2HG1  ILE  24          2HG1      ILE  24   5.036  -3.012  -3.421
  153   1HG2  ILE  24          1HG2      ILE  24   5.571  -1.202  -6.210
  154   2HG2  ILE  24          2HG2      ILE  24   4.554  -1.040  -4.758
  155   3HG2  ILE  24          3HG2      ILE  24   5.858   0.132  -5.066
  156   1HD1  ILE  24          1HD1      ILE  24   5.238  -3.242  -6.067
  157   2HD1  ILE  24          2HD1      ILE  24   6.452  -4.474  -5.648
  158   3HD1  ILE  24          3HD1      ILE  24   4.777  -4.645  -5.072
  159    H    LYS  25           H        LYS  25   7.615  -0.516  -7.275
  160    HA   LYS  25           HA       LYS  25   9.806   1.247  -6.554
  161   1HB   LYS  25          1HB       LYS  25   8.567   0.306  -9.017
  162   2HB   LYS  25          2HB       LYS  25   8.736   2.050  -9.011
  163   1HG   LYS  25          1HG       LYS  25  11.027   1.960  -9.100
  164   2HG   LYS  25          2HG       LYS  25  11.121   0.642  -7.949
  165   1HD   LYS  25          1HD       LYS  25  10.372  -0.949  -9.767
  166   2HD   LYS  25          2HD       LYS  25  10.395   0.384 -10.906
  167   1HE   LYS  25          1HE       LYS  25  12.796  -0.659  -9.328
  168   2HE   LYS  25          2HE       LYS  25  12.502  -0.915 -11.036
  169    HA   PRO  26           HA       PRO  26   7.402   4.597  -5.147
  170   1HB   PRO  26          1HB       PRO  26   8.717   6.748  -6.237
  171   2HB   PRO  26          2HB       PRO  26   9.438   5.711  -4.963
  172   1HG   PRO  26          1HG       PRO  26   9.667   5.540  -7.882
  173   2HG   PRO  26          2HG       PRO  26  11.142   5.552  -6.861
  174   1HD   PRO  26          1HD       PRO  26  10.268   3.205  -7.710
  175   2HD   PRO  26          2HD       PRO  26  10.559   3.361  -5.951
  176    H    GLY  27           H        GLY  27   5.460   5.591  -5.779
  177   1HA   GLY  27          2HA       GLY  27   5.152   6.526  -8.500
  178   2HA   GLY  27          1HA       GLY  27   4.002   6.649  -7.183
  179    H    THR  28           H        THR  28   3.926   3.861  -6.386
  180    HA   THR  28           HA       THR  28   2.818   2.624  -8.819
  181    HB   THR  28           HB       THR  28   3.846   1.330  -6.239
  182    HG1  THR  28           HG1      THR  28   5.663   2.091  -7.339
  183   1HG2  THR  28          1HG2      THR  28   2.181   0.119  -7.970
  184   2HG2  THR  28          2HG2      THR  28   3.663  -0.001  -8.949
  185   3HG2  THR  28          3HG2      THR  28   3.604  -0.739  -7.330
  186    H    LYS  29           H        LYS  29   0.677   2.479  -8.990
  187    HA   LYS  29           HA       LYS  29  -1.005   3.436  -6.984
  188   1HB   LYS  29          1HB       LYS  29  -1.375   1.977  -9.579
  189   2HB   LYS  29          2HB       LYS  29  -2.744   2.144  -8.499
  190   1HG   LYS  29          1HG       LYS  29  -2.829   4.465  -8.721
  191   2HG   LYS  29          2HG       LYS  29  -1.104   4.615  -8.994
  192   1HD   LYS  29          1HD       LYS  29  -1.348   4.476 -11.254
  193   2HD   LYS  29          2HD       LYS  29  -2.369   3.057 -11.135
  194   1HE   LYS  29          1HE       LYS  29  -4.360   4.339 -10.936
  195   2HE   LYS  29          2HE       LYS  29  -3.503   5.773 -10.404
  196    H    PHE  30           H        PHE  30  -2.647   2.270  -5.724
  197    HA   PHE  30           HA       PHE  30  -1.472  -0.045  -4.515
  198   1HB   PHE  30          1HB       PHE  30  -2.680   1.850  -3.315
  199   2HB   PHE  30          2HB       PHE  30  -4.153   1.429  -4.167
  200    HD1  PHE  30           HD1      PHE  30  -1.768   0.317  -1.591
  201    HD2  PHE  30           HD2      PHE  30  -5.512  -0.405  -3.453
  202    HE1  PHE  30           HE1      PHE  30  -2.374  -1.281   0.247
  203    HE2  PHE  30           HE2      PHE  30  -6.118  -2.003  -1.615
  204    HZ   PHE  30           HZ       PHE  30  -4.542  -2.421   0.213
  205    H    GLU  31           H        GLU  31  -3.065   0.258  -7.368
  206    HA   GLU  31           HA       GLU  31  -4.693  -2.111  -6.905
  207   1HB   GLU  31          1HB       GLU  31  -5.285   0.308  -8.212
  208   2HB   GLU  31          2HB       GLU  31  -5.013  -0.819  -9.526
  209   1HG   GLU  31          1HG       GLU  31  -6.780  -2.237  -8.869
  210   2HG   GLU  31          2HG       GLU  31  -6.729  -1.705  -7.200
  211    H    ASP  32           H        ASP  32  -1.746  -0.946  -8.273
  212    HA   ASP  32           HA       ASP  32  -1.654  -3.077 -10.215
  213   1HB   ASP  32          1HB       ASP  32   0.365  -0.896  -9.505
  214   2HB   ASP  32          2HB       ASP  32   0.560  -2.038 -10.820
  215    H    LEU  33           H        LEU  33  -1.298  -2.856  -6.952
  216    HA   LEU  33           HA       LEU  33   1.277  -3.827  -6.441
  217   1HB   LEU  33          1HB       LEU  33  -1.313  -3.926  -4.902
  218   2HB   LEU  33          2HB       LEU  33   0.189  -4.571  -4.270
  219    HG   LEU  33           HG       LEU  33  -0.073  -1.702  -5.185
  220   1HD1  LEU  33          1HD1      LEU  33  -1.767  -2.198  -3.438
  221   2HD1  LEU  33          2HD1      LEU  33  -0.453  -2.719  -2.357
  222   3HD1  LEU  33          3HD1      LEU  33  -0.528  -1.031  -2.918
  223   1HD2  LEU  33          1HD2      LEU  33   2.125  -3.277  -4.398
  224   2HD2  LEU  33          2HD2      LEU  33   2.074  -1.517  -4.660
  225   3HD2  LEU  33          3HD2      LEU  33   1.783  -2.184  -3.036
  226    HA   PRO  34           HA       PRO  34   1.558  -7.938  -7.791
  227   1HB   PRO  34          1HB       PRO  34   2.302  -8.513  -4.901
  228   2HB   PRO  34          2HB       PRO  34   3.114  -8.981  -6.431
  229   1HG   PRO  34          1HG       PRO  34   4.129  -6.788  -4.998
  230   2HG   PRO  34          2HG       PRO  34   3.931  -7.165  -6.740
  231   1HD   PRO  34          1HD       PRO  34   2.274  -5.350  -4.917
  232   2HD   PRO  34          2HD       PRO  34   2.864  -5.036  -6.577
  233    H    ASP  35           H        ASP  35   0.612 -10.189  -7.307
  234    HA   ASP  35           HA       ASP  35  -1.975  -9.757  -6.091
  235   1HB   ASP  35          1HB       ASP  35  -1.208 -11.014  -8.427
  236   2HB   ASP  35          2HB       ASP  35  -1.320 -12.387  -7.345
  237    H    ASP  36           H        ASP  36   0.745 -10.224  -4.671
  238    HA   ASP  36           HA       ASP  36  -0.232 -12.367  -2.994
  239   1HB   ASP  36          1HB       ASP  36   2.369 -12.304  -4.503
  240   2HB   ASP  36          2HB       ASP  36   2.429 -12.906  -2.858
  241    H    TRP  37           H        TRP  37   0.226  -9.264  -3.123
  242    HA   TRP  37           HA       TRP  37   2.255  -8.845  -1.115
  243   1HB   TRP  37          1HB       TRP  37   1.884  -7.302  -3.033
  244   2HB   TRP  37          2HB       TRP  37   0.319  -6.887  -2.362
  245    HD1  TRP  37           HD1      TRP  37   4.069  -6.306  -1.735
  246    HE1  TRP  37           HE1      TRP  37   4.464  -4.347  -0.011
  247    HE3  TRP  37           HE3      TRP  37  -0.815  -5.772  -0.422
  248    HZ2  TRP  37           HZ2      TRP  37   2.729  -2.828   1.670
  249    HZ3  TRP  37           HZ3      TRP  37  -1.379  -4.028   1.267
  250    HH2  TRP  37           HH2      TRP  37   0.300  -2.584   2.303
  251    H    ALA  38           H        ALA  38   1.822  -8.150   1.051
  252    HA   ALA  38           HA       ALA  38  -0.935  -7.999   1.902
  253   1HB   ALA  38          1HB       ALA  38   0.484 -10.462   2.029
  254   2HB   ALA  38          2HB       ALA  38   0.415  -9.822   3.688
  255   3HB   ALA  38          3HB       ALA  38  -1.087 -10.066   2.766
  256    H    CYS  39           H        CYS  39  -1.135  -7.003   4.010
  257    HA   CYS  39           HA       CYS  39   0.511  -4.949   4.501
  258   1HB   CYS  39          1HB       CYS  39  -1.671  -5.274   5.557
  259   2HB   CYS  39          2HB       CYS  39  -1.016  -6.549   6.565
  260    HA   PRO  40           HA       PRO  40   4.190  -7.364   5.571
  261   1HB   PRO  40          1HB       PRO  40   5.500  -4.716   5.205
  262   2HB   PRO  40          2HB       PRO  40   5.734  -6.260   4.321
  263   1HG   PRO  40          1HG       PRO  40   4.406  -4.118   2.988
  264   2HG   PRO  40          2HG       PRO  40   4.258  -5.905   2.936
  265   1HD   PRO  40          1HD       PRO  40   2.660  -3.881   4.621
  266   2HD   PRO  40          2HD       PRO  40   2.023  -5.057   3.431
  267    H    VAL  41           H        VAL  41   2.403  -4.899   7.147
  268    HA   VAL  41           HA       VAL  41   4.379  -4.462   9.213
  269    HB   VAL  41           HB       VAL  41   1.504  -3.557   8.950
  270   1HG1  VAL  41          1HG1      VAL  41   2.710  -3.624  11.273
  271   2HG1  VAL  41          2HG1      VAL  41   3.588  -2.207  10.649
  272   3HG1  VAL  41          3HG1      VAL  41   1.814  -2.167  10.782
  273   1HG2  VAL  41          1HG2      VAL  41   3.826  -2.750   7.508
  274   2HG2  VAL  41          2HG2      VAL  41   2.194  -2.041   7.470
  275   3HG2  VAL  41          3HG2      VAL  41   3.401  -1.435   8.629
  276    H    CYS  42           H        CYS  42   0.964  -5.718   9.080
  277    HA   CYS  42           HA       CYS  42   1.631  -7.299  11.445
  278   1HB   CYS  42          1HB       CYS  42  -0.771  -7.473  11.818
  279   2HB   CYS  42          2HB       CYS  42  -0.229  -5.808  11.781
  280    H    GLY  43           H        GLY  43   0.175  -7.343   8.138
  281   1HA   GLY  43          2HA       GLY  43   0.268 -10.293   8.180
  282   2HA   GLY  43          1HA       GLY  43   1.060  -9.385   6.908
  283    H    ALA  44           H        ALA  44  -1.985  -8.325   8.466
  284    HA   ALA  44           HA       ALA  44  -3.994  -9.378   7.227
  285   1HB   ALA  44          1HB       ALA  44  -3.285  -6.501   7.698
  286   2HB   ALA  44          3HB       ALA  44  -4.573  -7.491   8.425
  287   3HB   ALA  44          2HB       ALA  44  -4.761  -6.861   6.771
  288    H    SER  45           H        SER  45  -4.849  -9.772   5.206
  289    HA   SER  45           HA       SER  45  -3.144  -9.656   3.044
  290   1HB   SER  45          1HB       SER  45  -5.094 -10.369   1.717
  291   2HB   SER  45          2HB       SER  45  -5.032 -11.241   3.236
  292    HG   SER  45           HG       SER  45  -6.484  -9.096   3.796
  293    H    LYS  46           H        LYS  46  -4.484  -8.661   0.821
  294    HA   LYS  46           HA       LYS  46  -4.286  -5.806   1.320
  295   1HB   LYS  46          1HB       LYS  46  -3.081  -7.135  -0.555
  296   2HB   LYS  46          2HB       LYS  46  -4.631  -7.124  -1.371
  297   1HG   LYS  46          1HG       LYS  46  -4.708  -4.638  -1.232
  298   2HG   LYS  46          2HG       LYS  46  -3.184  -4.627  -0.366
  299   1HD   LYS  46          1HD       LYS  46  -2.062  -4.632  -2.333
  300   2HD   LYS  46          2HD       LYS  46  -2.760  -6.189  -2.730
  301   1HE   LYS  46          1HE       LYS  46  -4.127  -3.504  -3.248
  302   2HE   LYS  46          2HE       LYS  46  -3.239  -4.412  -4.456
  303    H    ASP  47           H        ASP  47  -6.539  -7.085   2.514
  304    HA   ASP  47           HA       ASP  47  -8.605  -5.805   0.921
  305   1HB   ASP  47          1HB       ASP  47  -8.398  -8.577   1.265
  306   2HB   ASP  47          2HB       ASP  47  -9.527  -8.119   2.525
  307    H    ALA  48           H        ALA  48  -6.836  -5.276   3.435
  308    HA   ALA  48           HA       ALA  48  -9.024  -4.969   5.375
  309   1HB   ALA  48          3HB       ALA  48  -7.343  -5.094   7.106
  310   2HB   ALA  48          2HB       ALA  48  -6.030  -5.055   5.904
  311   3HB   ALA  48          1HB       ALA  48  -7.098  -6.475   6.009
  312    H    PHE  49           H        PHE  49  -6.450  -3.442   3.466
  313    HA   PHE  49           HA       PHE  49  -6.414  -0.996   4.841
  314   1HB   PHE  49          1HB       PHE  49  -5.799  -1.967   1.997
  315   2HB   PHE  49          2HB       PHE  49  -5.532  -0.295   2.447
  316    HD1  PHE  49           HD1      PHE  49  -4.426  -3.753   2.981
  317    HD2  PHE  49           HD2      PHE  49  -3.694   0.330   3.875
  318    HE1  PHE  49           HE1      PHE  49  -2.159  -4.355   3.873
  319    HE2  PHE  49           HE2      PHE  49  -1.426  -0.272   4.766
  320    HZ   PHE  49           HZ       PHE  49  -0.686  -2.608   4.755
  321    H    GLU  50           H        GLU  50  -7.325   1.076   4.215
  322    HA   GLU  50           HA       GLU  50  -9.474   0.947   2.299
  323   1HB   GLU  50          1HB       GLU  50 -11.038   2.086   3.959
  324   2HB   GLU  50          2HB       GLU  50 -10.716   0.392   4.271
  325   1HG   GLU  50          1HG       GLU  50  -9.199   0.888   6.065
  326   2HG   GLU  50          2HG       GLU  50  -9.033   2.563   5.577
  327    H    LYS  51           H        LYS  51  -9.389   2.753   1.024
  328    HA   LYS  51           HA       LYS  51  -7.461   4.659   1.261
  329   1HB   LYS  51          1HB       LYS  51  -8.846   5.980  -0.328
  330   2HB   LYS  51          2HB       LYS  51  -8.627   4.307  -0.800
  331   1HG   LYS  51          1HG       LYS  51 -10.941   4.186   0.756
  332   2HG   LYS  51          2HG       LYS  51 -11.108   5.739  -0.037
  333   1HD   LYS  51          1HD       LYS  51 -10.892   4.730  -2.245
  334   2HD   LYS  51          2HD       LYS  51 -10.419   3.188  -1.560
  335   1HE   LYS  51          1HE       LYS  51 -12.588   2.556  -1.352
  336   2HE   LYS  51          2HE       LYS  51 -12.950   3.973  -0.385
  337    H    GLN  52           H        GLN  52  -7.036   5.936   2.984
  338    HA   GLN  52           HA       GLN  52  -9.209   6.783   4.635
  339   1HB   GLN  52          1HB       GLN  52  -6.546   6.201   5.098
  340   2HB   GLN  52          2HB       GLN  52  -6.519   7.953   5.111
  341   1HG   GLN  52          1HG       GLN  52  -8.690   6.518   6.656
  342   2HG   GLN  52          2HG       GLN  52  -7.074   6.580   7.332
  343   2HE2  GLN  52          2HE2      GLN  52  -6.500   8.282   8.459
  344   1HE2  GLN  52          1HE2      GLN  52  -7.292   9.822   8.498

  No H/Q in entry =         344
  Start of MODEL    8
    1    H1   MET   1          1H        MET   1  -4.907  12.504  -0.363
    2    H2   MET   1          2H        MET   1  -3.458  13.291  -0.212
    3    H3   MET   1          3H        MET   1  -4.593  13.846  -1.281
    4    HA   MET   1           HA       MET   1  -3.804  12.701  -2.836
    5   1HB   MET   1          1HB       MET   1  -1.806  12.637  -0.829
    6   2HB   MET   1          2HB       MET   1  -1.926  10.964  -1.338
    7   1HG   MET   1          1HG       MET   1  -0.665  11.474  -3.156
    8   2HG   MET   1          2HG       MET   1  -1.982  12.466  -3.750
    9   1HE   MET   1          1HE       MET   1  -2.448  14.777  -3.069
   10   2HE   MET   1          2HE       MET   1  -1.156  15.993  -2.929
   11   3HE   MET   1          3HE       MET   1  -1.308  15.024  -4.414
   12    H    ASP   2           H        ASP   2  -2.767  10.010  -3.042
   13    HA   ASP   2           HA       ASP   2  -5.237   8.606  -2.457
   14   1HB   ASP   2          1HB       ASP   2  -2.934   7.747  -4.266
   15   2HB   ASP   2          2HB       ASP   2  -4.525   7.018  -4.192
   16    H    ILE   3           H        ILE   3  -4.159   8.637  -0.110
   17    HA   ILE   3           HA       ILE   3  -2.062   6.637   0.139
   18    HB   ILE   3           HB       ILE   3  -3.332   8.470   2.175
   19   1HG1  ILE   3          1HG1      ILE   3  -0.574   9.037   1.653
   20   2HG1  ILE   3          2HG1      ILE   3  -1.422   8.994   0.119
   21   1HG2  ILE   3          1HG2      ILE   3  -0.969   6.588   2.379
   22   2HG2  ILE   3          2HG2      ILE   3  -1.367   7.846   3.573
   23   3HG2  ILE   3          3HG2      ILE   3  -2.502   6.507   3.280
   24   1HD1  ILE   3          1HD1      ILE   3  -2.805  10.423   2.365
   25   2HD1  ILE   3          2HD1      ILE   3  -1.360  11.202   1.678
   26   3HD1  ILE   3          3HD1      ILE   3  -2.748  10.819   0.631
   27    H    TYR   4           H        TYR   4  -2.280   4.794   1.419
   28    HA   TYR   4           HA       TYR   4  -5.107   3.923   1.802
   29   1HB   TYR   4          1HB       TYR   4  -2.638   2.525   0.796
   30   2HB   TYR   4          2HB       TYR   4  -3.916   1.593   1.595
   31    HD1  TYR   4           HD1      TYR   4  -3.341   4.029  -1.193
   32    HD2  TYR   4           HD2      TYR   4  -5.779   0.863   0.384
   33    HE1  TYR   4           HE1      TYR   4  -4.612   3.948  -3.321
   34    HE2  TYR   4           HE2      TYR   4  -7.050   0.782  -1.744
   35    HH   TYR   4           HH       TYR   4  -7.562   2.373  -3.713
   36    H    VAL   5           H        VAL   5  -5.698   3.545   3.919
   37    HA   VAL   5           HA       VAL   5  -3.502   3.332   5.837
   38    HB   VAL   5           HB       VAL   5  -5.211   5.117   6.075
   39   1HG1  VAL   5          1HG1      VAL   5  -7.041   3.209   5.376
   40   2HG1  VAL   5          2HG1      VAL   5  -7.256   3.272   7.142
   41   3HG1  VAL   5          3HG1      VAL   5  -7.436   4.752   6.169
   42   1HG2  VAL   5          1HG2      VAL   5  -3.910   4.112   7.998
   43   2HG2  VAL   5          2HG2      VAL   5  -5.440   4.907   8.441
   44   3HG2  VAL   5          3HG2      VAL   5  -5.350   3.131   8.360
   45    H    CYS   6           H        CYS   6  -3.080   1.456   6.919
   46    HA   CYS   6           HA       CYS   6  -4.281  -0.904   6.023
   47   1HB   CYS   6          1HB       CYS   6  -1.969  -0.700   6.901
   48   2HB   CYS   6          2HB       CYS   6  -2.618  -0.462   8.511
   49    H    THR   7           H        THR   7  -5.723  -2.364   7.183
   50    HA   THR   7           HA       THR   7  -7.309  -0.980   9.245
   51    HB   THR   7           HB       THR   7  -8.485  -1.372   7.071
   52    HG1  THR   7           HG1      THR   7  -9.175  -3.266   9.206
   53   1HG2  THR   7          1HG2      THR   7  -7.980  -4.324   7.725
   54   2HG2  THR   7          2HG2      THR   7  -9.027  -3.712   6.422
   55   3HG2  THR   7          3HG2      THR   7  -7.268  -3.450   6.347
   56    H    VAL   8           H        VAL   8  -4.767  -2.720   9.416
   57    HA   VAL   8           HA       VAL   8  -5.948  -4.761  11.171
   58    HB   VAL   8           HB       VAL   8  -3.397  -4.749   9.553
   59   1HG1  VAL   8          1HG1      VAL   8  -4.302  -6.570  11.785
   60   2HG1  VAL   8          2HG1      VAL   8  -3.211  -7.146  10.501
   61   3HG1  VAL   8          3HG1      VAL   8  -2.721  -5.788  11.543
   62   1HG2  VAL   8          1HG2      VAL   8  -6.079  -5.837   9.163
   63   2HG2  VAL   8          2HG2      VAL   8  -4.736  -5.661   8.008
   64   3HG2  VAL   8          3HG2      VAL   8  -4.820  -7.091   9.065
   65    H    CYS   9           H        CYS   9  -3.232  -2.419  10.693
   66    HA   CYS   9           HA       CYS   9  -3.084  -2.270  13.614
   67   1HB   CYS   9          1HB       CYS   9  -0.614  -1.633  13.153
   68   2HB   CYS   9          2HB       CYS   9  -1.093  -3.318  13.210
   69    H    GLY  10           H        GLY  10  -1.853  -0.594  10.616
   70   1HA   GLY  10          2HA       GLY  10  -2.062   1.996  11.775
   71   2HA   GLY  10          1HA       GLY  10  -3.447   1.659  10.755
   72    H    TYR  11           H        TYR  11   0.107   1.145  10.714
   73    HA   TYR  11           HA       TYR  11   1.658   1.942   9.173
   74   1HB   TYR  11          1HB       TYR  11   0.658  -0.394   8.502
   75   2HB   TYR  11          2HB       TYR  11  -0.050   0.509   7.153
   76    HD1  TYR  11           HD1      TYR  11   3.293   0.762   8.849
   77    HD2  TYR  11           HD2      TYR  11   1.126  -0.020   5.223
   78    HE1  TYR  11           HE1      TYR  11   5.433   0.586   7.608
   79    HE2  TYR  11           HE2      TYR  11   3.266  -0.196   3.983
   80    HH   TYR  11           HH       TYR  11   5.553  -0.235   4.136
   81    H    GLU  12           H        GLU  12   1.074   2.223   6.210
   82    HA   GLU  12           HA       GLU  12  -0.912   3.934   5.644
   83   1HB   GLU  12          1HB       GLU  12   0.342   6.198   5.738
   84   2HB   GLU  12          2HB       GLU  12  -0.321   5.579   7.237
   85   1HG   GLU  12          1HG       GLU  12   2.004   4.495   7.641
   86   2HG   GLU  12          2HG       GLU  12   2.581   5.486   6.316
   87    H    TYR  13           H        TYR  13  -0.631   2.808   3.731
   88    HA   TYR  13           HA       TYR  13   1.897   2.923   2.281
   89   1HB   TYR  13          1HB       TYR  13   0.409   0.948   2.231
   90   2HB   TYR  13          2HB       TYR  13  -0.856   1.928   1.472
   91    HD1  TYR  13           HD1      TYR  13   2.712   0.876   0.972
   92    HD2  TYR  13           HD2      TYR  13  -1.013   1.999  -0.848
   93    HE1  TYR  13           HE1      TYR  13   3.646   0.347  -1.264
   94    HE2  TYR  13           HE2      TYR  13  -0.079   1.471  -3.084
   95    HH   TYR  13           HH       TYR  13   2.039   1.172  -4.237
   96    H    ASP  14           H        ASP  14   2.526   4.619   0.979
   97    HA   ASP  14           HA       ASP  14   0.337   6.243  -0.060
   98   1HB   ASP  14          1HB       ASP  14   3.179   7.062   0.706
   99   2HB   ASP  14          2HB       ASP  14   2.036   8.127  -0.088
  100    HA   PRO  15           HA       PRO  15   1.846   4.451  -3.910
  101   1HB   PRO  15          1HB       PRO  15   0.217   6.778  -4.947
  102   2HB   PRO  15          2HB       PRO  15   0.173   5.037  -5.374
  103   1HG   PRO  15          1HG       PRO  15  -1.541   6.192  -3.940
  104   2HG   PRO  15          2HG       PRO  15  -1.346   4.457  -3.529
  105   1HD   PRO  15          1HD       PRO  15  -0.558   6.886  -2.005
  106   2HD   PRO  15          2HD       PRO  15  -0.616   5.185  -1.454
  107    H    ALA  16           H        ALA  16   2.193   7.768  -2.670
  108    HA   ALA  16           HA       ALA  16   3.825   8.647  -4.838
  109   1HB   ALA  16          2HB       ALA  16   4.240  10.576  -3.319
  110   2HB   ALA  16          3HB       ALA  16   2.507  10.208  -3.486
  111   3HB   ALA  16          1HB       ALA  16   3.385   9.712  -2.019
  112    H    LYS  17           H        LYS  17   4.280   6.924  -1.764
  113    HA   LYS  17           HA       LYS  17   7.167   7.225  -1.996
  114   1HB   LYS  17          1HB       LYS  17   5.544   7.298   0.177
  115   2HB   LYS  17          2HB       LYS  17   5.975   5.600   0.184
  116   1HG   LYS  17          1HG       LYS  17   7.886   6.250   1.239
  117   2HG   LYS  17          2HG       LYS  17   8.429   6.793  -0.336
  118   1HD   LYS  17          1HD       LYS  17   8.640   8.832   0.683
  119   2HD   LYS  17          2HD       LYS  17   6.913   8.956   0.417
  120   1HE   LYS  17          1HE       LYS  17   6.391   8.309   2.656
  121   2HE   LYS  17          2HE       LYS  17   7.973   7.601   2.921
  122    H    GLY  18           H        GLY  18   4.573   4.707  -1.989
  123   1HA   GLY  18          2HA       GLY  18   6.182   3.073  -3.758
  124   2HA   GLY  18          1HA       GLY  18   4.531   2.794  -3.242
  125    H    ASP  19           H        ASP  19   7.129   1.090  -3.268
  126    HA   ASP  19           HA       ASP  19   7.554   0.636  -0.483
  127   1HB   ASP  19          1HB       ASP  19   5.858  -1.159  -2.199
  128   2HB   ASP  19          2HB       ASP  19   6.987  -1.948  -1.116
  129    HA   PRO  20           HA       PRO  20  11.018  -0.133  -3.536
  130   1HB   PRO  20          1HB       PRO  20  12.521   1.256  -1.343
  131   2HB   PRO  20          2HB       PRO  20  12.466   1.579  -3.106
  132   1HG   PRO  20          1HG       PRO  20  11.189   3.268  -1.310
  133   2HG   PRO  20          2HG       PRO  20  10.632   2.870  -2.968
  134   1HD   PRO  20          1HD       PRO  20   9.807   1.664  -0.274
  135   2HD   PRO  20          2HD       PRO  20   8.764   2.211  -1.622
  136    H    ASP  21           H        ASP  21  10.131  -1.035  -0.290
  137    HA   ASP  21           HA       ASP  21  12.387  -2.879  -0.252
  138   1HB   ASP  21          1HB       ASP  21  11.661  -1.118   1.706
  139   2HB   ASP  21          2HB       ASP  21  10.671  -2.484   2.179
  140    H    SER  22           H        SER  22  10.027  -3.319  -1.885
  141    HA   SER  22           HA       SER  22   9.241  -5.820  -0.844
  142   1HB   SER  22          1HB       SER  22   7.639  -3.682  -0.012
  143   2HB   SER  22          2HB       SER  22   6.768  -4.306  -1.399
  144    HG   SER  22           HG       SER  22   6.140  -5.366   0.591
  145    H    GLY  23           H        GLY  23  10.564  -4.575  -3.202
  146   1HA   GLY  23          2HA       GLY  23   9.341  -6.070  -5.249
  147   2HA   GLY  23          1HA       GLY  23  10.625  -4.891  -5.427
  148    H    ILE  24           H        ILE  24   9.392  -2.518  -4.500
  149    HA   ILE  24           HA       ILE  24   7.447  -2.131  -6.645
  150    HB   ILE  24           HB       ILE  24   7.042  -1.025  -3.871
  151   1HG1  ILE  24          1HG1      ILE  24   6.915  -3.502  -3.838
  152   2HG1  ILE  24          2HG1      ILE  24   5.393  -2.720  -3.461
  153   1HG2  ILE  24          1HG2      ILE  24   6.057   0.235  -5.763
  154   2HG2  ILE  24          2HG2      ILE  24   5.154  -1.225  -6.232
  155   3HG2  ILE  24          3HG2      ILE  24   4.835  -0.448  -4.663
  156   1HD1  ILE  24          1HD1      ILE  24   5.769  -3.246  -6.357
  157   2HD1  ILE  24          2HD1      ILE  24   5.711  -4.711  -5.348
  158   3HD1  ILE  24          3HD1      ILE  24   4.357  -3.556  -5.318
  159    H    LYS  25           H        LYS  25   7.582  -0.111  -7.663
  160    HA   LYS  25           HA       LYS  25   9.930   1.436  -6.839
  161   1HB   LYS  25          1HB       LYS  25   8.926   0.500  -9.391
  162   2HB   LYS  25          2HB       LYS  25   9.084   2.245  -9.402
  163   1HG   LYS  25          1HG       LYS  25  11.435   1.815  -8.295
  164   2HG   LYS  25          2HG       LYS  25  11.231   0.167  -8.856
  165   1HD   LYS  25          1HD       LYS  25  11.700   0.739 -11.009
  166   2HD   LYS  25          2HD       LYS  25  10.561   2.070 -10.982
  167   1HE   LYS  25          1HE       LYS  25  12.433   3.256  -9.494
  168   2HE   LYS  25          2HE       LYS  25  13.494   2.074 -10.235
  169    HA   PRO  26           HA       PRO  26   7.741   4.847  -5.291
  170   1HB   PRO  26          1HB       PRO  26   9.425   6.452  -7.238
  171   2HB   PRO  26          2HB       PRO  26   9.160   6.658  -5.476
  172   1HG   PRO  26          1HG       PRO  26  11.470   5.515  -6.443
  173   2HG   PRO  26          2HG       PRO  26  10.562   5.173  -4.934
  174   1HD   PRO  26          1HD       PRO  26  10.729   3.607  -7.536
  175   2HD   PRO  26          2HD       PRO  26  10.599   3.001  -5.856
  176    H    GLY  27           H        GLY  27   5.632   5.345  -5.882
  177   1HA   GLY  27          2HA       GLY  27   5.176   6.425  -8.550
  178   2HA   GLY  27          1HA       GLY  27   4.066   6.413  -7.195
  179    H    THR  28           H        THR  28   3.450   4.024  -6.427
  180    HA   THR  28           HA       THR  28   2.705   2.592  -8.883
  181    HB   THR  28           HB       THR  28   3.753   1.365  -6.277
  182    HG1  THR  28           HG1      THR  28   5.416   2.342  -7.601
  183   1HG2  THR  28          1HG2      THR  28   3.070   0.140  -9.002
  184   2HG2  THR  28          2HG2      THR  28   3.839  -0.724  -7.649
  185   3HG2  THR  28          3HG2      THR  28   2.165  -0.138  -7.495
  186    H    LYS  29           H        LYS  29   0.570   2.427  -9.098
  187    HA   LYS  29           HA       LYS  29  -1.155   3.317  -7.078
  188   1HB   LYS  29          1HB       LYS  29  -1.338   2.314  -9.824
  189   2HB   LYS  29          2HB       LYS  29  -2.703   1.829  -8.839
  190   1HG   LYS  29          1HG       LYS  29  -3.424   3.928  -9.575
  191   2HG   LYS  29          2HG       LYS  29  -2.695   4.356  -8.040
  192   1HD   LYS  29          1HD       LYS  29  -0.512   4.806  -9.323
  193   2HD   LYS  29          2HD       LYS  29  -1.429   4.614 -10.804
  194   1HE   LYS  29          1HE       LYS  29  -2.021   6.799 -10.651
  195   2HE   LYS  29          2HE       LYS  29  -2.982   6.394  -9.243
  196    H    PHE  30           H        PHE  30  -2.747   2.122  -5.838
  197    HA   PHE  30           HA       PHE  30  -1.611  -0.251  -4.744
  198   1HB   PHE  30          1HB       PHE  30  -2.855   1.526  -3.453
  199   2HB   PHE  30          2HB       PHE  30  -4.291   1.227  -4.413
  200    HD1  PHE  30           HD1      PHE  30  -2.175  -0.036  -1.713
  201    HD2  PHE  30           HD2      PHE  30  -5.660  -0.744  -4.028
  202    HE1  PHE  30           HE1      PHE  30  -2.932  -1.753  -0.047
  203    HE2  PHE  30           HE2      PHE  30  -6.417  -2.462  -2.362
  204    HZ   PHE  30           HZ       PHE  30  -5.045  -2.946  -0.391
  205    H    GLU  31           H        GLU  31  -3.233   0.219  -7.598
  206    HA   GLU  31           HA       GLU  31  -4.814  -2.201  -7.297
  207   1HB   GLU  31          1HB       GLU  31  -4.877   0.091  -9.286
  208   2HB   GLU  31          2HB       GLU  31  -5.681  -1.425  -9.637
  209   1HG   GLU  31          1HG       GLU  31  -6.820  -1.163  -7.307
  210   2HG   GLU  31          2HG       GLU  31  -6.240   0.490  -7.338
  211    H    ASP  32           H        ASP  32  -1.777  -1.084  -8.376
  212    HA   ASP  32           HA       ASP  32  -1.626  -3.129 -10.425
  213   1HB   ASP  32          1HB       ASP  32   0.322  -0.915  -9.626
  214   2HB   ASP  32          2HB       ASP  32   0.604  -2.051 -10.931
  215    H    LEU  33           H        LEU  33  -1.453  -3.071  -7.185
  216    HA   LEU  33           HA       LEU  33   1.135  -3.931  -6.547
  217   1HB   LEU  33          1HB       LEU  33  -1.538  -4.270  -5.194
  218   2HB   LEU  33          2HB       LEU  33  -0.036  -4.839  -4.493
  219    HG   LEU  33           HG       LEU  33  -0.503  -1.952  -5.274
  220   1HD1  LEU  33          1HD1      LEU  33  -2.153  -2.774  -3.568
  221   2HD1  LEU  33          2HD1      LEU  33  -0.775  -3.113  -2.493
  222   3HD1  LEU  33          3HD1      LEU  33  -1.100  -1.446  -3.024
  223   1HD2  LEU  33          1HD2      LEU  33   1.712  -3.464  -3.994
  224   2HD2  LEU  33          2HD2      LEU  33   1.750  -2.032  -5.050
  225   3HD2  LEU  33          3HD2      LEU  33   1.335  -1.857  -3.328
  226    HA   PRO  34           HA       PRO  34   1.886  -7.913  -8.077
  227   1HB   PRO  34          1HB       PRO  34   2.039  -8.692  -5.143
  228   2HB   PRO  34          2HB       PRO  34   3.158  -9.038  -6.502
  229   1HG   PRO  34          1HG       PRO  34   3.459  -7.039  -4.647
  230   2HG   PRO  34          2HG       PRO  34   4.252  -6.998  -6.255
  231   1HD   PRO  34          1HD       PRO  34   2.121  -5.281  -5.190
  232   2HD   PRO  34          2HD       PRO  34   2.923  -5.184  -6.787
  233    H    ASP  35           H        ASP  35   0.150  -8.410  -4.895
  234    HA   ASP  35           HA       ASP  35  -2.322  -8.753  -5.622
  235   1HB   ASP  35          1HB       ASP  35  -0.697 -10.915  -6.862
  236   2HB   ASP  35          2HB       ASP  35  -2.092 -11.500  -5.978
  237    H    ASP  36           H        ASP  36   0.394 -10.820  -4.379
  238    HA   ASP  36           HA       ASP  36  -1.248 -11.542  -2.114
  239   1HB   ASP  36          1HB       ASP  36   1.379 -12.507  -3.272
  240   2HB   ASP  36          2HB       ASP  36   1.006 -12.869  -1.599
  241    H    TRP  37           H        TRP  37  -0.186  -8.760  -2.553
  242    HA   TRP  37           HA       TRP  37   2.087  -8.416  -0.875
  243   1HB   TRP  37          1HB       TRP  37   1.577  -6.905  -2.720
  244   2HB   TRP  37          2HB       TRP  37   0.072  -6.437  -1.954
  245    HD1  TRP  37           HD1      TRP  37   3.851  -5.829  -1.694
  246    HE1  TRP  37           HE1      TRP  37   4.398  -3.803  -0.094
  247    HE3  TRP  37           HE3      TRP  37  -0.884  -5.264   0.070
  248    HZ2  TRP  37           HZ2      TRP  37   2.823  -2.227   1.690
  249    HZ3  TRP  37           HZ3      TRP  37  -1.294  -3.458   1.739
  250    HH2  TRP  37           HH2      TRP  37   0.466  -1.969   2.549
  251    H    ALA  38           H        ALA  38   2.079  -7.391   1.258
  252    HA   ALA  38           HA       ALA  38  -0.480  -7.216   2.601
  253   1HB   ALA  38          1HB       ALA  38   0.948  -9.615   2.693
  254   2HB   ALA  38          3HB       ALA  38  -0.305  -9.090   3.843
  255   3HB   ALA  38          2HB       ALA  38   1.413  -8.784   4.196
  256    H    CYS  39           H        CYS  39  -0.088  -6.384   4.938
  257    HA   CYS  39           HA       CYS  39   1.591  -4.128   4.709
  258   1HB   CYS  39          1HB       CYS  39  -0.514  -4.065   5.930
  259   2HB   CYS  39          2HB       CYS  39   0.081  -5.249   7.077
  260    HA   PRO  40           HA       PRO  40   5.348  -6.302   5.769
  261   1HB   PRO  40          1HB       PRO  40   6.266  -3.452   6.125
  262   2HB   PRO  40          2HB       PRO  40   6.933  -4.779   5.120
  263   1HG   PRO  40          1HG       PRO  40   5.523  -2.729   3.940
  264   2HG   PRO  40          2HG       PRO  40   5.588  -4.471   3.516
  265   1HD   PRO  40          1HD       PRO  40   3.477  -2.906   5.089
  266   2HD   PRO  40          2HD       PRO  40   3.240  -4.106   3.782
  267    H    VAL  41           H        VAL  41   3.313  -4.238   7.703
  268    HA   VAL  41           HA       VAL  41   5.068  -4.389  10.002
  269    HB   VAL  41           HB       VAL  41   2.259  -3.306   9.718
  270   1HG1  VAL  41          1HG1      VAL  41   3.128  -3.888  12.043
  271   2HG1  VAL  41          2HG1      VAL  41   4.327  -2.592  11.811
  272   3HG1  VAL  41          3HG1      VAL  41   2.588  -2.210  11.795
  273   1HG2  VAL  41          1HG2      VAL  41   4.837  -2.253   8.826
  274   2HG2  VAL  41          2HG2      VAL  41   3.185  -1.701   8.460
  275   3HG2  VAL  41          3HG2      VAL  41   3.998  -1.151   9.944
  276    H    CYS  42           H        CYS  42   1.582  -5.254   9.425
  277    HA   CYS  42           HA       CYS  42   1.903  -7.357  11.394
  278   1HB   CYS  42          1HB       CYS  42  -0.583  -7.574  11.134
  279   2HB   CYS  42          2HB       CYS  42  -0.006  -6.055  11.789
  280    H    GLY  43           H        GLY  43   0.902  -6.791   7.955
  281   1HA   GLY  43          2HA       GLY  43   1.759  -9.523   7.319
  282   2HA   GLY  43          1HA       GLY  43   1.529  -8.195   6.199
  283    H    ALA  44           H        ALA  44  -1.013  -7.231   6.771
  284    HA   ALA  44           HA       ALA  44  -2.805  -9.514   6.819
  285   1HB   ALA  44          1HB       ALA  44  -3.092  -7.255   8.074
  286   2HB   ALA  44          2HB       ALA  44  -3.574  -6.605   6.489
  287   3HB   ALA  44          3HB       ALA  44  -4.504  -7.931   7.227
  288    H    SER  45           H        SER  45  -4.363  -9.914   5.105
  289    HA   SER  45           HA       SER  45  -3.252  -9.992   2.631
  290   1HB   SER  45          1HB       SER  45  -5.701 -10.748   3.843
  291   2HB   SER  45          2HB       SER  45  -6.164  -9.776   2.460
  292    HG   SER  45           HG       SER  45  -4.318 -11.277   1.420
  293    H    LYS  46           H        LYS  46  -3.324  -8.682   0.751
  294    HA   LYS  46           HA       LYS  46  -3.288  -5.991   1.008
  295   1HB   LYS  46          1HB       LYS  46  -2.450  -7.193  -0.938
  296   2HB   LYS  46          2HB       LYS  46  -4.077  -7.634  -1.415
  297   1HG   LYS  46          1HG       LYS  46  -4.673  -5.255  -1.735
  298   2HG   LYS  46          2HG       LYS  46  -3.102  -4.752  -1.141
  299   1HD   LYS  46          1HD       LYS  46  -2.727  -4.684  -3.446
  300   2HD   LYS  46          2HD       LYS  46  -2.165  -6.303  -3.078
  301   1HE   LYS  46          1HE       LYS  46  -3.636  -6.390  -5.041
  302   2HE   LYS  46          2HE       LYS  46  -4.411  -7.222  -3.708
  303    H    ASP  47           H        ASP  47  -6.096  -8.120   0.900
  304    HA   ASP  47           HA       ASP  47  -7.997  -6.363   0.037
  305   1HB   ASP  47          1HB       ASP  47  -8.003  -8.680   1.987
  306   2HB   ASP  47          2HB       ASP  47  -9.469  -7.742   1.780
  307    H    ALA  48           H        ALA  48  -6.493  -6.866   3.278
  308    HA   ALA  48           HA       ALA  48  -8.079  -5.540   4.968
  309   1HB   ALA  48          2HB       ALA  48  -5.739  -4.627   5.869
  310   2HB   ALA  48          3HB       ALA  48  -6.147  -6.358   5.937
  311   3HB   ALA  48          1HB       ALA  48  -5.102  -5.741   4.635
  312    H    PHE  49           H        PHE  49  -5.269  -3.641   3.762
  313    HA   PHE  49           HA       PHE  49  -6.112  -1.194   4.196
  314   1HB   PHE  49          1HB       PHE  49  -4.896  -2.353   1.620
  315   2HB   PHE  49          2HB       PHE  49  -4.897  -0.636   1.970
  316    HD1  PHE  49           HD1      PHE  49  -3.449   0.284   3.696
  317    HD2  PHE  49           HD2      PHE  49  -3.439  -3.872   2.839
  318    HE1  PHE  49           HE1      PHE  49  -1.295   0.029   4.959
  319    HE2  PHE  49           HE2      PHE  49  -1.285  -4.127   4.102
  320    HZ   PHE  49           HZ       PHE  49  -0.239  -2.174   5.147
  321    H    GLU  50           H        GLU  50  -7.692   0.240   3.593
  322    HA   GLU  50           HA       GLU  50  -9.055  -0.230   1.104
  323   1HB   GLU  50          1HB       GLU  50 -11.315  -0.050   2.263
  324   2HB   GLU  50          2HB       GLU  50 -10.462  -1.559   2.521
  325   1HG   GLU  50          1HG       GLU  50  -9.793  -0.937   4.742
  326   2HG   GLU  50          2HG       GLU  50 -10.164   0.754   4.473
  327    H    LYS  51           H        LYS  51  -7.698   1.782   0.787
  328    HA   LYS  51           HA       LYS  51  -7.508   3.971   0.591
  329   1HB   LYS  51          1HB       LYS  51  -9.950   3.604  -0.124
  330   2HB   LYS  51          2HB       LYS  51 -10.393   4.260   1.439
  331   1HG   LYS  51          1HG       LYS  51 -10.334   6.246   0.258
  332   2HG   LYS  51          2HG       LYS  51  -8.646   6.186   0.725
  333   1HD   LYS  51          1HD       LYS  51  -8.442   6.551  -1.575
  334   2HD   LYS  51          2HD       LYS  51  -8.344   4.803  -1.518
  335   1HE   LYS  51          1HE       LYS  51 -11.128   5.830  -1.682
  336   2HE   LYS  51          2HE       LYS  51 -10.141   6.255  -3.066
  337    H    GLN  52           H        GLN  52  -6.970   5.862   1.805
  338    HA   GLN  52           HA       GLN  52  -6.369   5.302   4.460
  339   1HB   GLN  52          1HB       GLN  52  -5.614   7.670   4.547
  340   2HB   GLN  52          2HB       GLN  52  -5.031   6.851   3.112
  341   1HG   GLN  52          1HG       GLN  52  -6.295   8.145   1.688
  342   2HG   GLN  52          2HG       GLN  52  -7.676   8.173   2.766
  343   2HE2  GLN  52          2HE2      GLN  52  -8.115  10.279   2.842
  344   1HE2  GLN  52          1HE2      GLN  52  -7.055  11.517   3.431

  No H/Q in entry =         344
  Start of MODEL    9
    1    H1   MET   1          1H        MET   1  -6.688  12.061  -2.067
    2    H2   MET   1          2H        MET   1  -5.151  12.072  -1.451
    3    H3   MET   1          3H        MET   1  -5.777  13.442  -2.140
    4    HA   MET   1           HA       MET   1  -5.768  12.615  -4.215
    5   1HB   MET   1          1HB       MET   1  -3.413  12.807  -2.627
    6   2HB   MET   1          2HB       MET   1  -3.183  11.343  -3.563
    7   1HG   MET   1          1HG       MET   1  -2.281  13.159  -4.884
    8   2HG   MET   1          2HG       MET   1  -3.775  12.672  -5.659
    9   1HE   MET   1          1HE       MET   1  -2.510  14.902  -6.426
   10   2HE   MET   1          2HE       MET   1  -4.035  15.764  -6.744
   11   3HE   MET   1          3HE       MET   1  -2.796  16.503  -5.701
   12    H    ASP   2           H        ASP   2  -4.042  10.003  -2.363
   13    HA   ASP   2           HA       ASP   2  -5.940   8.067  -3.034
   14   1HB   ASP   2          1HB       ASP   2  -3.553   8.422  -4.830
   15   2HB   ASP   2          2HB       ASP   2  -3.986   6.776  -4.411
   16    H    ILE   3           H        ILE   3  -5.290   8.245  -0.592
   17    HA   ILE   3           HA       ILE   3  -2.811   6.762  -0.084
   18    HB   ILE   3           HB       ILE   3  -4.404   8.690   1.598
   19   1HG1  ILE   3          1HG1      ILE   3  -1.567   9.182   1.405
   20   2HG1  ILE   3          2HG1      ILE   3  -2.245   9.015  -0.203
   21   1HG2  ILE   3          1HG2      ILE   3  -2.097   6.911   2.429
   22   2HG2  ILE   3          2HG2      ILE   3  -2.712   8.291   3.370
   23   3HG2  ILE   3          3HG2      ILE   3  -3.761   6.886   3.060
   24   1HD1  ILE   3          1HD1      ILE   3  -3.848  10.648   1.731
   25   2HD1  ILE   3          2HD1      ILE   3  -2.306  11.347   1.181
   26   3HD1  ILE   3          3HD1      ILE   3  -3.556  10.905  -0.006
   27    H    TYR   4           H        TYR   4  -2.832   5.002   1.310
   28    HA   TYR   4           HA       TYR   4  -5.531   3.797   1.715
   29   1HB   TYR   4          1HB       TYR   4  -2.885   2.641   0.845
   30   2HB   TYR   4          2HB       TYR   4  -4.096   1.622   1.642
   31    HD1  TYR   4           HD1      TYR   4  -3.724   4.028  -1.214
   32    HD2  TYR   4           HD2      TYR   4  -5.745   0.583   0.368
   33    HE1  TYR   4           HE1      TYR   4  -4.886   3.714  -3.382
   34    HE2  TYR   4           HE2      TYR   4  -6.906   0.269  -1.800
   35    HH   TYR   4           HH       TYR   4  -6.087   2.090  -4.675
   36    H    VAL   5           H        VAL   5  -5.977   2.839   3.761
   37    HA   VAL   5           HA       VAL   5  -3.814   3.189   5.721
   38    HB   VAL   5           HB       VAL   5  -5.705   4.855   5.823
   39   1HG1  VAL   5          1HG1      VAL   5  -7.489   3.164   5.246
   40   2HG1  VAL   5          2HG1      VAL   5  -7.315   2.520   6.896
   41   3HG1  VAL   5          3HG1      VAL   5  -7.852   4.199   6.649
   42   1HG2  VAL   5          1HG2      VAL   5  -4.981   3.056   8.138
   43   2HG2  VAL   5          2HG2      VAL   5  -4.385   4.689   7.755
   44   3HG2  VAL   5          3HG2      VAL   5  -6.046   4.466   8.352
   45    H    CYS   6           H        CYS   6  -3.229   1.365   6.798
   46    HA   CYS   6           HA       CYS   6  -4.428  -1.075   6.074
   47   1HB   CYS   6          1HB       CYS   6  -2.025  -0.725   6.683
   48   2HB   CYS   6          2HB       CYS   6  -2.517  -0.541   8.355
   49    H    THR   7           H        THR   7  -5.710  -2.512   7.411
   50    HA   THR   7           HA       THR   7  -7.070  -1.107   9.614
   51    HB   THR   7           HB       THR   7  -8.899  -2.872   8.983
   52    HG1  THR   7           HG1      THR   7  -7.380  -2.737   6.500
   53   1HG2  THR   7          1HG2      THR   7  -8.029  -0.507   7.311
   54   2HG2  THR   7          2HG2      THR   7  -9.280  -1.587   6.648
   55   3HG2  THR   7          3HG2      THR   7  -9.552  -0.756   8.198
   56    H    VAL   8           H        VAL   8  -4.486  -2.897   9.408
   57    HA   VAL   8           HA       VAL   8  -5.369  -4.869  11.394
   58    HB   VAL   8           HB       VAL   8  -2.970  -4.784   9.556
   59   1HG1  VAL   8          1HG1      VAL   8  -3.692  -6.696  11.789
   60   2HG1  VAL   8          2HG1      VAL   8  -2.591  -7.138  10.462
   61   3HG1  VAL   8          3HG1      VAL   8  -2.179  -5.790  11.550
   62   1HG2  VAL   8          1HG2      VAL   8  -5.648  -5.918   9.344
   63   2HG2  VAL   8          2HG2      VAL   8  -4.384  -5.734   8.105
   64   3HG2  VAL   8          3HG2      VAL   8  -4.384  -7.158   9.173
   65    H    CYS   9           H        CYS   9  -2.803  -2.445  10.585
   66    HA   CYS   9           HA       CYS   9  -2.351  -2.230  13.472
   67   1HB   CYS   9          1HB       CYS   9   0.000  -1.453  12.738
   68   2HB   CYS   9          2HB       CYS   9  -0.364  -3.165  12.820
   69    H    GLY  10           H        GLY  10  -1.602  -0.511  10.342
   70   1HA   GLY  10          2HA       GLY  10  -2.534   1.989  11.615
   71   2HA   GLY  10          1HA       GLY  10  -3.055   1.518  10.010
   72    H    TYR  11           H        TYR  11  -1.052   0.719   8.600
   73    HA   TYR  11           HA       TYR  11   1.110   2.751   8.910
   74   1HB   TYR  11          1HB       TYR  11   2.195   0.708   9.074
   75   2HB   TYR  11          2HB       TYR  11   1.064  -0.103   7.977
   76    HD1  TYR  11           HD1      TYR  11   3.955   2.223   8.155
   77    HD2  TYR  11           HD2      TYR  11   1.445  -0.170   5.620
   78    HE1  TYR  11           HE1      TYR  11   5.549   2.537   6.281
   79    HE2  TYR  11           HE2      TYR  11   3.039   0.144   3.746
   80    HH   TYR  11           HH       TYR  11   4.838   1.671   3.018
   81    H    GLU  12           H        GLU  12   0.042   4.447   7.713
   82    HA   GLU  12           HA       GLU  12  -1.385   4.144   5.455
   83   1HB   GLU  12          1HB       GLU  12  -0.481   6.487   4.854
   84   2HB   GLU  12          2HB       GLU  12  -1.274   6.312   6.406
   85   1HG   GLU  12          1HG       GLU  12   1.561   5.678   6.675
   86   2HG   GLU  12          2HG       GLU  12   1.376   7.243   5.908
   87    H    TYR  13           H        TYR  13  -1.000   3.248   3.554
   88    HA   TYR  13           HA       TYR  13   1.738   2.632   2.732
   89   1HB   TYR  13          1HB       TYR  13   0.156   0.905   2.393
   90   2HB   TYR  13          2HB       TYR  13  -1.027   2.014   1.679
   91    HD1  TYR  13           HD1      TYR  13   2.382   0.569   1.093
   92    HD2  TYR  13           HD2      TYR  13  -1.180   2.230  -0.641
   93    HE1  TYR  13           HE1      TYR  13   3.222   0.007  -1.172
   94    HE2  TYR  13           HE2      TYR  13  -0.340   1.668  -2.906
   95    HH   TYR  13           HH       TYR  13   2.265   1.259  -3.918
   96    H    ASP  14           H        ASP  14   2.143   5.166   2.663
   97    HA   ASP  14           HA       ASP  14   0.947   6.709   0.765
   98   1HB   ASP  14          1HB       ASP  14   2.695   7.323   2.574
   99   2HB   ASP  14          2HB       ASP  14   3.920   6.802   1.434
  100    HA   PRO  15           HA       PRO  15   2.128   4.365  -2.903
  101   1HB   PRO  15          1HB       PRO  15   1.138   6.940  -4.142
  102   2HB   PRO  15          2HB       PRO  15   0.700   5.234  -4.482
  103   1HG   PRO  15          1HG       PRO  15  -0.930   6.879  -3.081
  104   2HG   PRO  15          2HG       PRO  15  -0.754   5.115  -2.804
  105   1HD   PRO  15          1HD       PRO  15   0.377   7.479  -1.259
  106   2HD   PRO  15          2HD       PRO  15  -0.198   5.898  -0.648
  107    H    ALA  16           H        ALA  16   3.198   7.581  -1.821
  108    HA   ALA  16           HA       ALA  16   5.093   7.887  -3.941
  109   1HB   ALA  16          2HB       ALA  16   5.762   9.470  -1.659
  110   2HB   ALA  16          1HB       ALA  16   3.987   9.435  -1.783
  111   3HB   ALA  16          3HB       ALA  16   4.964   9.989  -3.163
  112    H    LYS  17           H        LYS  17   4.916   6.209  -0.858
  113    HA   LYS  17           HA       LYS  17   7.815   5.946  -0.765
  114   1HB   LYS  17          1HB       LYS  17   5.784   6.137   1.190
  115   2HB   LYS  17          2HB       LYS  17   6.394   4.498   1.294
  116   1HG   LYS  17          1HG       LYS  17   8.522   5.172   1.936
  117   2HG   LYS  17          2HG       LYS  17   8.460   6.651   0.998
  118   1HD   LYS  17          1HD       LYS  17   7.091   7.764   2.647
  119   2HD   LYS  17          2HD       LYS  17   6.728   6.262   3.473
  120   1HE   LYS  17          1HE       LYS  17   9.048   6.041   4.235
  121   2HE   LYS  17          2HE       LYS  17   9.554   7.399   3.249
  122    H    GLY  18           H        GLY  18   4.984   4.378  -1.990
  123   1HA   GLY  18          2HA       GLY  18   6.193   2.442  -3.421
  124   2HA   GLY  18          1HA       GLY  18   4.582   2.284  -2.749
  125    H    ASP  19           H        ASP  19   7.354   0.607  -3.036
  126    HA   ASP  19           HA       ASP  19   7.736  -0.173  -0.333
  127   1HB   ASP  19          1HB       ASP  19   5.860  -1.630  -2.075
  128   2HB   ASP  19          2HB       ASP  19   7.159  -2.669  -1.524
  129    HA   PRO  20           HA       PRO  20  11.295  -0.802  -3.187
  130   1HB   PRO  20          1HB       PRO  20  13.180   0.306  -1.571
  131   2HB   PRO  20          2HB       PRO  20  12.008   1.319  -2.476
  132   1HG   PRO  20          1HG       PRO  20  11.929   0.304   0.188
  133   2HG   PRO  20          2HG       PRO  20  11.599   2.046  -0.084
  134   1HD   PRO  20          1HD       PRO  20   9.544   0.371   0.309
  135   2HD   PRO  20          2HD       PRO  20   9.442   1.535  -1.047
  136    H    ASP  21           H        ASP  21  10.222  -2.075  -0.168
  137    HA   ASP  21           HA       ASP  21  12.514  -3.877  -0.156
  138   1HB   ASP  21          1HB       ASP  21  10.767  -2.730   2.011
  139   2HB   ASP  21          2HB       ASP  21  11.349  -4.366   2.245
  140    H    SER  22           H        SER  22  10.956  -4.737  -2.058
  141    HA   SER  22           HA       SER  22   9.910  -7.115  -1.269
  142   1HB   SER  22          1HB       SER  22   8.127  -5.146  -0.468
  143   2HB   SER  22          2HB       SER  22   7.472  -5.604  -2.027
  144    HG   SER  22           HG       SER  22   6.805  -6.851   0.021
  145    H    GLY  23           H        GLY  23   9.690  -4.290  -3.461
  146   1HA   GLY  23          2HA       GLY  23   9.346  -6.129  -5.749
  147   2HA   GLY  23          1HA       GLY  23  10.625  -4.931  -5.715
  148    H    ILE  24           H        ILE  24   9.276  -2.738  -4.472
  149    HA   ILE  24           HA       ILE  24   7.429  -2.062  -6.638
  150    HB   ILE  24           HB       ILE  24   6.911  -1.348  -3.757
  151   1HG1  ILE  24          1HG1      ILE  24   6.833  -3.831  -4.148
  152   2HG1  ILE  24          2HG1      ILE  24   5.340  -3.112  -3.580
  153   1HG2  ILE  24          1HG2      ILE  24   5.795  -0.535  -6.293
  154   2HG2  ILE  24          2HG2      ILE  24   4.558  -1.325  -5.286
  155   3HG2  ILE  24          3HG2      ILE  24   5.461   0.072  -4.654
  156   1HD1  ILE  24          1HD1      ILE  24   5.305  -2.970  -6.450
  157   2HD1  ILE  24          2HD1      ILE  24   5.788  -4.621  -5.991
  158   3HD1  ILE  24          3HD1      ILE  24   4.259  -3.941  -5.385
  159    H    LYS  25           H        LYS  25   7.528   0.112  -7.320
  160    HA   LYS  25           HA       LYS  25   9.745   1.606  -6.102
  161   1HB   LYS  25          1HB       LYS  25   9.239   0.809  -8.843
  162   2HB   LYS  25          2HB       LYS  25   9.321   2.555  -8.719
  163   1HG   LYS  25          1HG       LYS  25  11.516   2.489  -7.718
  164   2HG   LYS  25          2HG       LYS  25  11.402   0.771  -7.394
  165   1HD   LYS  25          1HD       LYS  25  12.834   1.080  -9.341
  166   2HD   LYS  25          2HD       LYS  25  11.343   0.332  -9.876
  167   1HE   LYS  25          1HE       LYS  25  11.244   3.299  -9.896
  168   2HE   LYS  25          2HE       LYS  25  12.466   2.637 -10.964
  169    HA   PRO  26           HA       PRO  26   7.154   4.820  -4.767
  170   1HB   PRO  26          1HB       PRO  26   9.078   6.616  -6.273
  171   2HB   PRO  26          2HB       PRO  26   8.496   6.688  -4.578
  172   1HG   PRO  26          1HG       PRO  26  10.999   5.694  -5.169
  173   2HG   PRO  26          2HG       PRO  26   9.834   5.218  -3.891
  174   1HD   PRO  26          1HD       PRO  26  10.546   3.855  -6.519
  175   2HD   PRO  26          2HD       PRO  26  10.160   3.122  -4.933
  176    H    GLY  27           H        GLY  27   5.234   5.656  -5.620
  177   1HA   GLY  27          2HA       GLY  27   5.229   6.620  -8.368
  178   2HA   GLY  27          1HA       GLY  27   3.952   6.768  -7.177
  179    H    THR  28           H        THR  28   3.526   4.148  -6.316
  180    HA   THR  28           HA       THR  28   2.651   2.865  -8.817
  181    HB   THR  28           HB       THR  28   3.763   1.530  -6.292
  182    HG1  THR  28           HG1      THR  28   5.415   2.526  -7.587
  183   1HG2  THR  28          1HG2      THR  28   2.036   0.384  -8.103
  184   2HG2  THR  28          2HG2      THR  28   3.590   0.130  -8.933
  185   3HG2  THR  28          3HG2      THR  28   3.340  -0.516  -7.293
  186    H    LYS  29           H        LYS  29   0.510   2.785  -8.988
  187    HA   LYS  29           HA       LYS  29  -1.158   3.550  -6.878
  188   1HB   LYS  29          1HB       LYS  29  -1.546   2.401  -9.620
  189   2HB   LYS  29          2HB       LYS  29  -2.911   2.443  -8.523
  190   1HG   LYS  29          1HG       LYS  29  -2.977   4.780  -8.456
  191   2HG   LYS  29          2HG       LYS  29  -1.258   4.949  -8.753
  192   1HD   LYS  29          1HD       LYS  29  -1.631   5.215 -10.972
  193   2HD   LYS  29          2HD       LYS  29  -2.425   3.655 -11.056
  194   1HE   LYS  29          1HE       LYS  29  -3.981   5.970  -9.900
  195   2HE   LYS  29          2HE       LYS  29  -3.733   5.935 -11.634
  196    H    PHE  30           H        PHE  30  -2.682   2.315  -5.624
  197    HA   PHE  30           HA       PHE  30  -1.559  -0.121  -4.702
  198   1HB   PHE  30          1HB       PHE  30  -2.802   1.597  -3.319
  199   2HB   PHE  30          2HB       PHE  30  -4.250   1.308  -4.262
  200    HD1  PHE  30           HD1      PHE  30  -5.289  -1.024  -4.166
  201    HD2  PHE  30           HD2      PHE  30  -2.338   0.301  -1.421
  202    HE1  PHE  30           HE1      PHE  30  -5.980  -2.822  -2.556
  203    HE2  PHE  30           HE2      PHE  30  -3.028  -1.497   0.189
  204    HZ   PHE  30           HZ       PHE  30  -4.840  -3.037  -0.398
  205    H    GLU  31           H        GLU  31  -3.483   0.619  -7.404
  206    HA   GLU  31           HA       GLU  31  -4.974  -1.847  -7.242
  207   1HB   GLU  31          1HB       GLU  31  -5.158   0.680  -8.798
  208   2HB   GLU  31          2HB       GLU  31  -5.574  -0.759  -9.707
  209   1HG   GLU  31          1HG       GLU  31  -7.009  -1.366  -7.549
  210   2HG   GLU  31          2HG       GLU  31  -6.889   0.350  -7.215
  211    H    ASP  32           H        ASP  32  -1.935  -0.726  -8.320
  212    HA   ASP  32           HA       ASP  32  -1.845  -2.682 -10.456
  213   1HB   ASP  32          1HB       ASP  32   0.139  -0.529  -9.586
  214   2HB   ASP  32          2HB       ASP  32   0.406  -1.620 -10.931
  215    H    LEU  33           H        LEU  33  -1.659  -2.819  -7.236
  216    HA   LEU  33           HA       LEU  33   0.944  -3.771  -6.707
  217   1HB   LEU  33          1HB       LEU  33  -1.682  -4.017  -5.243
  218   2HB   LEU  33          2HB       LEU  33  -0.171  -4.648  -4.619
  219    HG   LEU  33           HG       LEU  33  -0.572  -1.736  -5.339
  220   1HD1  LEU  33          1HD1      LEU  33  -1.231  -3.229  -2.826
  221   2HD1  LEU  33          2HD1      LEU  33  -0.626  -1.558  -2.724
  222   3HD1  LEU  33          3HD1      LEU  33  -2.111  -1.913  -3.640
  223   1HD2  LEU  33          1HD2      LEU  33   1.684  -3.339  -4.400
  224   2HD2  LEU  33          2HD2      LEU  33   1.646  -1.709  -5.116
  225   3HD2  LEU  33          3HD2      LEU  33   1.358  -1.922  -3.373
  226    HA   PRO  34           HA       PRO  34   1.348  -7.760  -8.350
  227   1HB   PRO  34          1HB       PRO  34   1.774  -8.608  -5.468
  228   2HB   PRO  34          2HB       PRO  34   2.752  -8.929  -6.937
  229   1HG   PRO  34          1HG       PRO  34   3.483  -6.905  -5.110
  230   2HG   PRO  34          2HG       PRO  34   3.726  -7.134  -6.872
  231   1HD   PRO  34          1HD       PRO  34   1.900  -5.255  -5.370
  232   2HD   PRO  34          2HD       PRO  34   2.622  -5.075  -6.998
  233    H    ASP  35           H        ASP  35  -0.056  -8.246  -5.007
  234    HA   ASP  35           HA       ASP  35  -2.604  -8.481  -5.467
  235   1HB   ASP  35          1HB       ASP  35  -2.631  -9.933  -7.304
  236   2HB   ASP  35          2HB       ASP  35  -1.198 -10.795  -6.779
  237    H    ASP  36           H        ASP  36   0.161 -10.645  -4.543
  238    HA   ASP  36           HA       ASP  36  -1.261 -11.447  -2.174
  239   1HB   ASP  36          1HB       ASP  36   0.429 -13.102  -1.915
  240   2HB   ASP  36          2HB       ASP  36   0.188 -12.995  -3.647
  241    H    TRP  37           H        TRP  37  -0.274  -8.604  -2.674
  242    HA   TRP  37           HA       TRP  37   2.057  -8.181  -1.136
  243   1HB   TRP  37          1HB       TRP  37   1.296  -6.639  -2.866
  244   2HB   TRP  37          2HB       TRP  37  -0.158  -6.293  -1.952
  245    HD1  TRP  37           HD1      TRP  37   3.650  -5.623  -1.821
  246    HE1  TRP  37           HE1      TRP  37   4.198  -3.568  -0.259
  247    HE3  TRP  37           HE3      TRP  37  -1.081  -5.034  -0.053
  248    HZ2  TRP  37           HZ2      TRP  37   2.626  -1.963   1.501
  249    HZ3  TRP  37           HZ3      TRP  37  -1.489  -3.200   1.584
  250    HH2  TRP  37           HH2      TRP  37   0.271  -1.693   2.362
  251    H    ALA  38           H        ALA  38   2.056  -6.943   0.981
  252    HA   ALA  38           HA       ALA  38  -0.348  -7.136   2.553
  253   1HB   ALA  38          1HB       ALA  38   2.104  -8.836   3.159
  254   2HB   ALA  38          2HB       ALA  38   0.767  -8.549   4.299
  255   3HB   ALA  38          3HB       ALA  38   0.466  -9.418   2.774
  256    H    CYS  39           H        CYS  39   0.004  -6.114   4.741
  257    HA   CYS  39           HA       CYS  39   1.445  -3.740   4.416
  258   1HB   CYS  39          1HB       CYS  39  -0.560  -3.899   5.788
  259   2HB   CYS  39          2HB       CYS  39   0.248  -4.988   6.898
  260    HA   PRO  40           HA       PRO  40   5.495  -5.464   5.195
  261   1HB   PRO  40          1HB       PRO  40   6.089  -2.519   5.482
  262   2HB   PRO  40          2HB       PRO  40   6.849  -3.769   4.445
  263   1HG   PRO  40          1HG       PRO  40   5.129  -1.924   3.349
  264   2HG   PRO  40          2HG       PRO  40   5.375  -3.651   2.931
  265   1HD   PRO  40          1HD       PRO  40   3.191  -2.325   4.615
  266   2HD   PRO  40          2HD       PRO  40   3.025  -3.577   3.347
  267    H    VAL  41           H        VAL  41   3.401  -3.578   7.267
  268    HA   VAL  41           HA       VAL  41   5.314  -3.524   9.433
  269    HB   VAL  41           HB       VAL  41   2.385  -2.778   9.337
  270   1HG1  VAL  41          1HG1      VAL  41   4.052  -3.139  11.546
  271   2HG1  VAL  41          2HG1      VAL  41   4.057  -1.380  11.272
  272   3HG1  VAL  41          3HG1      VAL  41   2.516  -2.240  11.504
  273   1HG2  VAL  41          1HG2      VAL  41   4.809  -1.403   8.383
  274   2HG2  VAL  41          2HG2      VAL  41   3.097  -1.124   7.986
  275   3HG2  VAL  41          3HG2      VAL  41   3.792  -0.424   9.468
  276    H    CYS  42           H        CYS  42   1.928  -4.813   9.101
  277    HA   CYS  42           HA       CYS  42   2.641  -6.842  11.048
  278   1HB   CYS  42          1HB       CYS  42   0.191  -7.355  10.986
  279   2HB   CYS  42          2HB       CYS  42   0.621  -5.761  11.573
  280    H    GLY  43           H        GLY  43   1.311  -6.437   7.697
  281   1HA   GLY  43          2HA       GLY  43   2.439  -9.057   7.003
  282   2HA   GLY  43          1HA       GLY  43   1.990  -7.772   5.899
  283    H    ALA  44           H        ALA  44  -0.608  -7.097   6.725
  284    HA   ALA  44           HA       ALA  44  -2.127  -9.556   6.879
  285   1HB   ALA  44          1HB       ALA  44  -2.584  -7.331   8.129
  286   2HB   ALA  44          3HB       ALA  44  -3.965  -8.153   7.364
  287   3HB   ALA  44          2HB       ALA  44  -3.216  -6.746   6.571
  288    H    SER  45           H        SER  45  -4.016  -9.844   5.319
  289    HA   SER  45           HA       SER  45  -3.028 -10.066   2.771
  290   1HB   SER  45          1HB       SER  45  -5.072 -11.205   3.943
  291   2HB   SER  45          2HB       SER  45  -5.994  -9.828   3.374
  292    HG   SER  45           HG       SER  45  -5.194 -10.359   1.174
  293    H    LYS  46           H        LYS  46  -3.239  -8.818   0.857
  294    HA   LYS  46           HA       LYS  46  -3.250  -6.090   1.098
  295   1HB   LYS  46          1HB       LYS  46  -2.311  -7.265  -0.809
  296   2HB   LYS  46          2HB       LYS  46  -3.896  -7.829  -1.299
  297   1HG   LYS  46          1HG       LYS  46  -4.635  -5.441  -1.593
  298   2HG   LYS  46          2HG       LYS  46  -3.027  -4.903  -1.151
  299   1HD   LYS  46          1HD       LYS  46  -2.740  -4.946  -3.445
  300   2HD   LYS  46          2HD       LYS  46  -2.304  -6.610  -3.108
  301   1HE   LYS  46          1HE       LYS  46  -3.983  -7.280  -4.479
  302   2HE   LYS  46          2HE       LYS  46  -5.135  -6.632  -3.329
  303    H    ASP  47           H        ASP  47  -5.931  -8.324   1.165
  304    HA   ASP  47           HA       ASP  47  -7.823  -6.332   0.388
  305   1HB   ASP  47          1HB       ASP  47  -7.864  -9.026   0.234
  306   2HB   ASP  47          2HB       ASP  47  -8.602  -8.873   1.817
  307    H    ALA  48           H        ALA  48  -6.330  -5.311   2.506
  308    HA   ALA  48           HA       ALA  48  -8.225  -5.492   4.741
  309   1HB   ALA  48          3HB       ALA  48  -6.396  -5.451   6.310
  310   2HB   ALA  48          2HB       ALA  48  -5.208  -5.209   5.006
  311   3HB   ALA  48          1HB       ALA  48  -6.070  -6.760   5.148
  312    H    PHE  49           H        PHE  49  -5.661  -3.625   3.008
  313    HA   PHE  49           HA       PHE  49  -6.124  -1.218   4.347
  314   1HB   PHE  49          1HB       PHE  49  -5.055  -2.071   1.604
  315   2HB   PHE  49          2HB       PHE  49  -5.078  -0.379   2.058
  316    HD1  PHE  49           HD1      PHE  49  -3.609  -3.663   2.833
  317    HD2  PHE  49           HD2      PHE  49  -3.492   0.506   3.619
  318    HE1  PHE  49           HE1      PHE  49  -1.402  -3.943   3.995
  319    HE2  PHE  49           HE2      PHE  49  -1.285   0.225   4.780
  320    HZ   PHE  49           HZ       PHE  49  -0.266  -1.996   4.955
  321    H    GLU  50           H        GLU  50  -7.211   0.733   3.619
  322    HA   GLU  50           HA       GLU  50  -9.119   0.333   1.488
  323   1HB   GLU  50          1HB       GLU  50 -10.951   1.321   2.959
  324   2HB   GLU  50          2HB       GLU  50 -10.472  -0.317   3.357
  325   1HG   GLU  50          1HG       GLU  50  -9.207   0.388   5.268
  326   2HG   GLU  50          2HG       GLU  50  -9.168   2.058   4.736
  327    H    LYS  51           H        LYS  51  -9.139   2.116   0.176
  328    HA   LYS  51           HA       LYS  51  -7.454   4.206   0.440
  329   1HB   LYS  51          1HB       LYS  51  -8.854   3.507  -1.558
  330   2HB   LYS  51          2HB       LYS  51 -10.181   4.412  -0.858
  331   1HG   LYS  51          1HG       LYS  51  -8.698   6.463  -0.800
  332   2HG   LYS  51          2HG       LYS  51  -7.442   5.542  -1.604
  333   1HD   LYS  51          1HD       LYS  51  -8.380   6.052  -3.602
  334   2HD   LYS  51          2HD       LYS  51  -9.798   5.126  -3.152
  335   1HE   LYS  51          1HE       LYS  51  -9.372   8.046  -2.362
  336   2HE   LYS  51          2HE       LYS  51 -10.268   7.549  -3.784
  337    H    GLN  52           H        GLN  52  -7.188   5.315   2.337
  338    HA   GLN  52           HA       GLN  52  -7.738   6.376   4.189
  339   1HB   GLN  52          1HB       GLN  52  -8.932   8.556   3.726
  340   2HB   GLN  52          2HB       GLN  52  -7.596   8.222   2.641
  341   1HG   GLN  52          1HG       GLN  52  -9.179   7.372   0.919
  342   2HG   GLN  52          2HG       GLN  52 -10.528   7.635   2.007
  343   2HE2  GLN  52          2HE2      GLN  52 -11.628   9.392   1.656
  344   1HE2  GLN  52          1HE2      GLN  52 -11.047  10.895   1.021

  No H/Q in entry =         344
  Start of MODEL   10
    1    H1   MET   1          1H        MET   1  -3.419  10.478  -5.944
    2    H2   MET   1          2H        MET   1  -2.365  11.750  -5.826
    3    H3   MET   1          3H        MET   1  -2.084  10.361  -4.971
    4    HA   MET   1           HA       MET   1  -2.832  11.772  -3.442
    5   1HB   MET   1          1HB       MET   1  -3.981  13.076  -5.639
    6   2HB   MET   1          2HB       MET   1  -5.398  12.498  -4.786
    7   1HG   MET   1          1HG       MET   1  -4.401  13.528  -2.648
    8   2HG   MET   1          2HG       MET   1  -3.182  14.273  -3.663
    9   1HE   MET   1          1HE       MET   1  -4.664  16.005  -1.919
   10   2HE   MET   1          2HE       MET   1  -3.853  16.877  -3.242
   11   3HE   MET   1          3HE       MET   1  -5.548  17.245  -2.841
   12    H    ASP   2           H        ASP   2  -3.071   9.651  -2.478
   13    HA   ASP   2           HA       ASP   2  -5.560   9.103  -1.559
   14   1HB   ASP   2          1HB       ASP   2  -5.355   8.205  -4.227
   15   2HB   ASP   2          2HB       ASP   2  -5.086   6.756  -3.278
   16    H    ILE   3           H        ILE   3  -4.742   8.324   0.395
   17    HA   ILE   3           HA       ILE   3  -2.503   6.437   0.244
   18    HB   ILE   3           HB       ILE   3  -3.419   8.311   2.424
   19   1HG1  ILE   3          1HG1      ILE   3  -0.747   8.771   1.887
   20   2HG1  ILE   3          2HG1      ILE   3  -1.397   8.428   0.296
   21   1HG2  ILE   3          1HG2      ILE   3  -2.670   6.102   3.318
   22   2HG2  ILE   3          2HG2      ILE   3  -1.093   6.377   2.539
   23   3HG2  ILE   3          3HG2      ILE   3  -1.658   7.479   3.817
   24   1HD1  ILE   3          1HD1      ILE   3  -3.371  10.065   1.294
   25   2HD1  ILE   3          2HD1      ILE   3  -1.931  10.729   2.105
   26   3HD1  ILE   3          3HD1      ILE   3  -1.991  10.640   0.328
   27    H    TYR   4           H        TYR   4  -2.542   4.561   1.507
   28    HA   TYR   4           HA       TYR   4  -5.298   3.675   2.225
   29   1HB   TYR   4          1HB       TYR   4  -2.936   2.280   0.972
   30   2HB   TYR   4          2HB       TYR   4  -4.163   1.356   1.854
   31    HD1  TYR   4           HD1      TYR   4  -3.746   3.807  -0.945
   32    HD2  TYR   4           HD2      TYR   4  -6.148   0.700   0.796
   33    HE1  TYR   4           HE1      TYR   4  -5.182   3.784  -2.967
   34    HE2  TYR   4           HE2      TYR   4  -7.584   0.677  -1.226
   35    HH   TYR   4           HH       TYR   4  -7.036   1.515  -3.954
   36    H    VAL   5           H        VAL   5  -5.661   3.024   4.346
   37    HA   VAL   5           HA       VAL   5  -3.236   2.714   5.979
   38    HB   VAL   5           HB       VAL   5  -5.950   3.753   6.816
   39   1HG1  VAL   5          1HG1      VAL   5  -4.327   2.540   8.480
   40   2HG1  VAL   5          2HG1      VAL   5  -3.411   4.063   8.398
   41   3HG1  VAL   5          3HG1      VAL   5  -5.102   4.071   8.950
   42   1HG2  VAL   5          1HG2      VAL   5  -3.644   5.093   5.595
   43   2HG2  VAL   5          2HG2      VAL   5  -5.315   5.661   5.820
   44   3HG2  VAL   5          3HG2      VAL   5  -4.137   5.815   7.145
   45    H    CYS   6           H        CYS   6  -3.029   0.845   7.165
   46    HA   CYS   6           HA       CYS   6  -4.734  -1.290   6.488
   47   1HB   CYS   6          1HB       CYS   6  -2.332  -1.539   6.973
   48   2HB   CYS   6          2HB       CYS   6  -2.622  -1.108   8.647
   49    H    THR   7           H        THR   7  -6.215  -2.455   7.903
   50    HA   THR   7           HA       THR   7  -7.260  -0.751  10.061
   51    HB   THR   7           HB       THR   7  -9.354  -2.203   9.603
   52    HG1  THR   7           HG1      THR   7  -9.148  -3.324   7.510
   53   1HG2  THR   7          1HG2      THR   7  -8.144  -0.476   7.387
   54   2HG2  THR   7          2HG2      THR   7  -9.791  -1.145   7.298
   55   3HG2  THR   7          3HG2      THR   7  -9.368   0.009   8.585
   56    H    VAL   8           H        VAL   8  -4.906  -2.722  10.097
   57    HA   VAL   8           HA       VAL   8  -6.014  -4.439  12.211
   58    HB   VAL   8           HB       VAL   8  -3.691  -4.911  10.333
   59   1HG1  VAL   8          1HG1      VAL   8  -4.678  -6.414  12.753
   60   2HG1  VAL   8          2HG1      VAL   8  -3.847  -7.261  11.427
   61   3HG1  VAL   8          3HG1      VAL   8  -3.017  -5.957  12.308
   62   1HG2  VAL   8          1HG2      VAL   8  -6.525  -5.909  10.433
   63   2HG2  VAL   8          2HG2      VAL   8  -5.557  -5.371   9.040
   64   3HG2  VAL   8          3HG2      VAL   8  -5.240  -6.957   9.783
   65    H    CYS   9           H        CYS   9  -3.169  -2.510  11.080
   66    HA   CYS   9           HA       CYS   9  -2.492  -2.178  13.913
   67   1HB   CYS   9          1HB       CYS   9  -0.146  -1.641  12.800
   68   2HB   CYS   9          2HB       CYS   9  -0.619  -3.257  13.284
   69    H    GLY  10           H        GLY  10  -1.722  -0.683  10.677
   70   1HA   GLY  10          2HA       GLY  10  -1.722   1.963  11.778
   71   2HA   GLY  10          1HA       GLY  10  -3.183   1.622  10.872
   72    H    TYR  11           H        TYR  11   0.278   0.740  10.505
   73    HA   TYR  11           HA       TYR  11   1.776   1.401   8.844
   74   1HB   TYR  11          1HB       TYR  11   0.397  -0.757   8.220
   75   2HB   TYR  11          2HB       TYR  11  -0.278   0.282   6.954
   76    HD1  TYR  11           HD1      TYR  11   3.199   0.126   8.352
   77    HD2  TYR  11           HD2      TYR  11   0.647  -0.464   4.948
   78    HE1  TYR  11           HE1      TYR  11   5.188  -0.307   6.936
   79    HE2  TYR  11           HE2      TYR  11   2.636  -0.897   3.532
   80    HH   TYR  11           HH       TYR  11   4.943  -1.429   3.609
   81    H    GLU  12           H        GLU  12   0.866   1.826   5.947
   82    HA   GLU  12           HA       GLU  12  -0.876   3.741   5.519
   83   1HB   GLU  12          1HB       GLU  12   0.631   5.895   5.712
   84   2HB   GLU  12          2HB       GLU  12  -0.242   5.317   7.118
   85   1HG   GLU  12          1HG       GLU  12   1.686   4.911   8.249
   86   2HG   GLU  12          2HG       GLU  12   2.334   3.958   6.930
   87    H    TYR  13           H        TYR  13  -0.589   2.558   3.595
   88    HA   TYR  13           HA       TYR  13   1.885   2.547   2.130
   89   1HB   TYR  13          1HB       TYR  13   0.076   0.852   1.917
   90   2HB   TYR  13          2HB       TYR  13  -0.963   2.085   1.183
   91    HD1  TYR  13           HD1      TYR  13   2.452   0.575   0.742
   92    HD2  TYR  13           HD2      TYR  13  -1.049   2.217  -1.128
   93    HE1  TYR  13           HE1      TYR  13   3.392   0.037  -1.490
   94    HE2  TYR  13           HE2      TYR  13  -0.110   1.679  -3.359
   95    HH   TYR  13           HH       TYR  13   2.348   1.304  -4.345
   96    H    ASP  14           H        ASP  14   2.804   4.282   1.077
   97    HA   ASP  14           HA       ASP  14   0.931   6.348   0.238
   98   1HB   ASP  14          1HB       ASP  14   3.942   6.681   0.478
   99   2HB   ASP  14          2HB       ASP  14   2.720   7.937   0.461
  100    HA   PRO  15           HA       PRO  15   1.951   4.471  -3.777
  101   1HB   PRO  15          1HB       PRO  15   0.147   6.737  -4.615
  102   2HB   PRO  15          2HB       PRO  15   0.072   4.984  -4.986
  103   1HG   PRO  15          1HG       PRO  15  -1.576   6.121  -3.283
  104   2HG   PRO  15          2HG       PRO  15  -1.080   4.423  -2.986
  105   1HD   PRO  15          1HD       PRO  15  -0.178   6.993  -1.670
  106   2HD   PRO  15          2HD       PRO  15  -0.256   5.339  -0.992
  107    H    ALA  16           H        ALA  16   2.459   7.708  -2.469
  108    HA   ALA  16           HA       ALA  16   3.696   8.739  -4.827
  109   1HB   ALA  16          2HB       ALA  16   4.275   9.871  -2.122
  110   2HB   ALA  16          1HB       ALA  16   2.575   9.867  -2.649
  111   3HB   ALA  16          3HB       ALA  16   3.809  10.693  -3.630
  112    H    LYS  17           H        LYS  17   4.753   7.176  -1.757
  113    HA   LYS  17           HA       LYS  17   7.514   7.335  -2.662
  114   1HB   LYS  17          1HB       LYS  17   6.152   7.199  -0.099
  115   2HB   LYS  17          2HB       LYS  17   7.383   5.958  -0.218
  116   1HG   LYS  17          1HG       LYS  17   9.129   7.511  -0.493
  117   2HG   LYS  17          2HG       LYS  17   8.075   8.744  -1.156
  118   1HD   LYS  17          1HD       LYS  17   7.392   7.956   1.628
  119   2HD   LYS  17          2HD       LYS  17   8.987   8.664   1.467
  120   1HE   LYS  17          1HE       LYS  17   6.912  10.123  -0.068
  121   2HE   LYS  17          2HE       LYS  17   6.592  10.088   1.654
  122    H    GLY  18           H        GLY  18   4.949   4.933  -1.824
  123   1HA   GLY  18          2HA       GLY  18   6.078   3.072  -3.724
  124   2HA   GLY  18          1HA       GLY  18   4.606   2.896  -2.790
  125    H    ASP  19           H        ASP  19   7.118   1.127  -3.276
  126    HA   ASP  19           HA       ASP  19   7.773   0.756  -0.461
  127   1HB   ASP  19          1HB       ASP  19   6.199  -0.962  -1.965
  128   2HB   ASP  19          2HB       ASP  19   7.788  -1.661  -2.205
  129    HA   PRO  20           HA       PRO  20  11.655   1.079  -2.892
  130   1HB   PRO  20          1HB       PRO  20  12.990   2.667  -1.123
  131   2HB   PRO  20          2HB       PRO  20  11.718   3.318  -2.208
  132   1HG   PRO  20          1HG       PRO  20  11.491   2.506   0.733
  133   2HG   PRO  20          2HG       PRO  20  10.899   3.955  -0.145
  134   1HD   PRO  20          1HD       PRO  20   9.374   1.654   0.434
  135   2HD   PRO  20          2HD       PRO  20   9.014   2.799  -0.893
  136    H    ASP  21           H        ASP  21  11.087  -1.370  -1.734
  137    HA   ASP  21           HA       ASP  21  13.471  -1.749  -0.107
  138   1HB   ASP  21          1HB       ASP  21  10.727  -3.037   0.258
  139   2HB   ASP  21          2HB       ASP  21  12.172  -3.609   1.068
  140    H    SER  22           H        SER  22  13.144  -1.998  -3.001
  141    HA   SER  22           HA       SER  22  13.550  -3.354  -4.645
  142   1HB   SER  22          1HB       SER  22  14.788  -4.695  -2.338
  143   2HB   SER  22          2HB       SER  22  14.342  -5.837  -3.590
  144    HG   SER  22           HG       SER  22  15.551  -3.531  -4.610
  145    H    GLY  23           H        GLY  23  11.074  -3.264  -4.796
  146   1HA   GLY  23          2HA       GLY  23   9.429  -5.302  -3.821
  147   2HA   GLY  23          1HA       GLY  23  10.051  -5.825  -5.374
  148    H    ILE  24           H        ILE  24   9.428  -2.416  -4.383
  149    HA   ILE  24           HA       ILE  24   7.522  -2.261  -6.597
  150    HB   ILE  24           HB       ILE  24   7.023  -0.977  -3.917
  151   1HG1  ILE  24          1HG1      ILE  24   7.029  -3.440  -3.675
  152   2HG1  ILE  24          2HG1      ILE  24   5.453  -2.725  -3.399
  153   1HG2  ILE  24          1HG2      ILE  24   5.392  -1.317  -6.439
  154   2HG2  ILE  24          2HG2      ILE  24   4.682  -0.858  -4.873
  155   3HG2  ILE  24          3HG2      ILE  24   5.899   0.191  -5.641
  156   1HD1  ILE  24          1HD1      ILE  24   5.863  -3.415  -6.233
  157   2HD1  ILE  24          2HD1      ILE  24   6.011  -4.825  -5.156
  158   3HD1  ILE  24          3HD1      ILE  24   4.523  -3.848  -5.144
  159    H    LYS  25           H        LYS  25   7.500  -0.249  -7.688
  160    HA   LYS  25           HA       LYS  25   9.869   1.351  -7.101
  161   1HB   LYS  25          1HB       LYS  25   8.451   0.516  -9.521
  162   2HB   LYS  25          2HB       LYS  25   8.785   2.236  -9.503
  163   1HG   LYS  25          1HG       LYS  25  11.197   1.380  -8.634
  164   2HG   LYS  25          2HG       LYS  25  10.715  -0.076  -9.481
  165   1HD   LYS  25          1HD       LYS  25  10.121   2.297 -11.094
  166   2HD   LYS  25          2HD       LYS  25  11.808   2.281 -10.621
  167   1HE   LYS  25          1HE       LYS  25  10.593  -0.287 -11.650
  168   2HE   LYS  25          2HE       LYS  25  10.962   0.976 -12.808
  169    HA   PRO  26           HA       PRO  26   7.778   4.773  -5.426
  170   1HB   PRO  26          1HB       PRO  26   9.051   6.862  -6.734
  171   2HB   PRO  26          2HB       PRO  26   9.809   5.878  -5.439
  172   1HG   PRO  26          1HG       PRO  26  10.089   5.484  -8.385
  173   2HG   PRO  26          2HG       PRO  26  11.449   5.532  -7.216
  174   1HD   PRO  26          1HD       PRO  26  10.503   3.157  -7.977
  175   2HD   PRO  26          2HD       PRO  26  10.720   3.442  -6.223
  176    H    GLY  27           H        GLY  27   5.681   5.421  -5.905
  177   1HA   GLY  27          2HA       GLY  27   5.163   6.535  -8.554
  178   2HA   GLY  27          1HA       GLY  27   4.133   6.618  -7.139
  179    H    THR  28           H        THR  28   3.646   4.113  -6.292
  180    HA   THR  28           HA       THR  28   2.578   2.769  -8.686
  181    HB   THR  28           HB       THR  28   3.634   1.482  -6.115
  182    HG1  THR  28           HG1      THR  28   5.424   2.239  -7.295
  183   1HG2  THR  28          1HG2      THR  28   2.238   0.492  -8.544
  184   2HG2  THR  28          2HG2      THR  28   3.788  -0.326  -8.233
  185   3HG2  THR  28          3HG2      THR  28   2.514  -0.330  -6.990
  186    H    LYS  29           H        LYS  29   0.468   2.072  -8.641
  187    HA   LYS  29           HA       LYS  29  -1.144   3.327  -6.628
  188   1HB   LYS  29          1HB       LYS  29  -1.545   2.056  -9.273
  189   2HB   LYS  29          2HB       LYS  29  -2.877   1.876  -8.150
  190   1HG   LYS  29          1HG       LYS  29  -3.321   3.928  -9.283
  191   2HG   LYS  29          2HG       LYS  29  -2.696   4.414  -7.720
  192   1HD   LYS  29          1HD       LYS  29  -0.380   4.582  -8.792
  193   2HD   LYS  29          2HD       LYS  29  -1.142   4.302 -10.345
  194   1HE   LYS  29          1HE       LYS  29  -1.481   6.548 -10.458
  195   2HE   LYS  29          2HE       LYS  29  -2.718   6.338  -9.235
  196    H    PHE  30           H        PHE  30  -3.122   1.842  -5.827
  197    HA   PHE  30           HA       PHE  30  -1.803  -0.310  -4.389
  198   1HB   PHE  30          1HB       PHE  30  -3.241   1.558  -3.337
  199   2HB   PHE  30          2HB       PHE  30  -4.620   0.918  -4.210
  200    HD1  PHE  30           HD1      PHE  30  -2.140   0.125  -1.582
  201    HD2  PHE  30           HD2      PHE  30  -5.840  -0.928  -3.374
  202    HE1  PHE  30           HE1      PHE  30  -2.612  -1.447   0.316
  203    HE2  PHE  30           HE2      PHE  30  -6.312  -2.500  -1.476
  204    HZ   PHE  30           HZ       PHE  30  -4.692  -2.742   0.347
  205    H    GLU  31           H        GLU  31  -3.674   0.128  -7.217
  206    HA   GLU  31           HA       GLU  31  -4.970  -2.442  -6.909
  207   1HB   GLU  31          1HB       GLU  31  -6.168  -1.819  -9.007
  208   2HB   GLU  31          2HB       GLU  31  -6.376  -0.624  -7.742
  209   1HG   GLU  31          1HG       GLU  31  -5.548   0.971  -9.120
  210   2HG   GLU  31          2HG       GLU  31  -4.011   0.130  -9.163
  211    H    ASP  32           H        ASP  32  -2.053  -1.108  -8.050
  212    HA   ASP  32           HA       ASP  32  -1.810  -3.066 -10.164
  213   1HB   ASP  32          1HB       ASP  32   0.090  -0.861  -9.234
  214   2HB   ASP  32          2HB       ASP  32   0.362  -1.887 -10.628
  215    H    LEU  33           H        LEU  33  -1.209  -2.616  -6.809
  216    HA   LEU  33           HA       LEU  33   1.276  -3.694  -6.380
  217   1HB   LEU  33          1HB       LEU  33  -1.281  -3.797  -4.793
  218   2HB   LEU  33          2HB       LEU  33   0.212  -4.493  -4.196
  219    HG   LEU  33           HG       LEU  33  -0.022  -1.595  -5.035
  220   1HD1  LEU  33          1HD1      LEU  33  -1.616  -2.297  -3.164
  221   2HD1  LEU  33          2HD1      LEU  33  -0.157  -2.562  -2.180
  222   3HD1  LEU  33          3HD1      LEU  33  -0.507  -0.944  -2.833
  223   1HD2  LEU  33          1HD2      LEU  33   2.118  -3.304  -3.929
  224   2HD2  LEU  33          2HD2      LEU  33   2.211  -1.824  -4.913
  225   3HD2  LEU  33          3HD2      LEU  33   1.934  -1.710  -3.158
  226    HA   PRO  34           HA       PRO  34   1.612  -7.798  -7.732
  227   1HB   PRO  34          1HB       PRO  34   2.292  -8.345  -4.812
  228   2HB   PRO  34          2HB       PRO  34   3.102  -8.890  -6.318
  229   1HG   PRO  34          1HG       PRO  34   4.023  -6.759  -4.836
  230   2HG   PRO  34          2HG       PRO  34   4.102  -6.879  -6.624
  231   1HD   PRO  34          1HD       PRO  34   2.291  -5.237  -4.841
  232   2HD   PRO  34          2HD       PRO  34   2.868  -4.890  -6.499
  233    H    ASP  35           H        ASP  35   0.654 -10.051  -7.303
  234    HA   ASP  35           HA       ASP  35  -1.959  -9.637  -6.139
  235   1HB   ASP  35          1HB       ASP  35  -0.942 -12.070  -7.669
  236   2HB   ASP  35          2HB       ASP  35  -2.614 -11.647  -7.357
  237    H    ASP  36           H        ASP  36   0.688 -10.090  -4.627
  238    HA   ASP  36           HA       ASP  36  -0.324 -12.229  -2.987
  239   1HB   ASP  36          1HB       ASP  36   1.792 -12.680  -4.794
  240   2HB   ASP  36          2HB       ASP  36   2.607 -12.386  -3.272
  241    H    TRP  37           H        TRP  37   0.173  -9.162  -3.068
  242    HA   TRP  37           HA       TRP  37   2.244  -8.810  -1.078
  243   1HB   TRP  37          1HB       TRP  37   1.947  -7.253  -2.990
  244   2HB   TRP  37          2HB       TRP  37   0.386  -6.789  -2.343
  245    HD1  TRP  37           HD1      TRP  37   4.133  -6.266  -1.722
  246    HE1  TRP  37           HE1      TRP  37   4.566  -4.339   0.028
  247    HE3  TRP  37           HE3      TRP  37  -0.729  -5.714  -0.337
  248    HZ2  TRP  37           HZ2      TRP  37   2.865  -2.834   1.756
  249    HZ3  TRP  37           HZ3      TRP  37  -1.257  -3.993   1.387
  250    HH2  TRP  37           HH2      TRP  37   0.447  -2.580   2.424
  251    H    ALA  38           H        ALA  38   1.829  -8.090   1.086
  252    HA   ALA  38           HA       ALA  38  -0.910  -7.808   1.934
  253   1HB   ALA  38          1HB       ALA  38   0.466 -10.347   2.109
  254   2HB   ALA  38          2HB       ALA  38   0.171  -9.710   3.744
  255   3HB   ALA  38          3HB       ALA  38  -1.188  -9.930   2.617
  256    H    CYS  39           H        CYS  39  -1.048  -6.885   4.096
  257    HA   CYS  39           HA       CYS  39   0.702  -4.928   4.626
  258   1HB   CYS  39          1HB       CYS  39  -1.479  -5.171   5.701
  259   2HB   CYS  39          2HB       CYS  39  -0.884  -6.515   6.655
  260    HA   PRO  40           HA       PRO  40   4.279  -7.545   5.556
  261   1HB   PRO  40          1HB       PRO  40   5.686  -4.930   5.306
  262   2HB   PRO  40          2HB       PRO  40   5.871  -6.445   4.363
  263   1HG   PRO  40          1HG       PRO  40   4.633  -4.212   3.131
  264   2HG   PRO  40          2HG       PRO  40   4.394  -5.983   2.978
  265   1HD   PRO  40          1HD       PRO  40   2.887  -3.968   4.750
  266   2HD   PRO  40          2HD       PRO  40   2.204  -5.082   3.527
  267    H    VAL  41           H        VAL  41   2.577  -5.142   7.281
  268    HA   VAL  41           HA       VAL  41   4.592  -4.885   9.351
  269    HB   VAL  41           HB       VAL  41   1.765  -3.820   9.201
  270   1HG1  VAL  41          1HG1      VAL  41   4.040  -3.470  11.114
  271   2HG1  VAL  41          2HG1      VAL  41   3.002  -2.066  10.768
  272   3HG1  VAL  41          3HG1      VAL  41   2.289  -3.560  11.420
  273   1HG2  VAL  41          1HG2      VAL  41   4.060  -3.091   7.663
  274   2HG2  VAL  41          2HG2      VAL  41   2.454  -2.325   7.700
  275   3HG2  VAL  41          3HG2      VAL  41   3.726  -1.778   8.818
  276    H    CYS  42           H        CYS  42   1.087  -5.866   9.236
  277    HA   CYS  42           HA       CYS  42   1.677  -7.632  11.485
  278   1HB   CYS  42          1HB       CYS  42  -0.745  -7.675  11.854
  279   2HB   CYS  42          2HB       CYS  42  -0.071  -6.060  11.948
  280    H    GLY  43           H        GLY  43   0.343  -7.400   8.153
  281   1HA   GLY  43          2HA       GLY  43   0.171 -10.349   8.060
  282   2HA   GLY  43          1HA       GLY  43   1.035  -9.437   6.838
  283    H    ALA  44           H        ALA  44  -1.905  -8.159   8.407
  284    HA   ALA  44           HA       ALA  44  -4.015  -8.981   7.194
  285   1HB   ALA  44          2HB       ALA  44  -3.339  -6.045   6.868
  286   2HB   ALA  44          1HB       ALA  44  -3.607  -6.772   8.471
  287   3HB   ALA  44          3HB       ALA  44  -4.909  -6.789   7.256
  288    H    SER  45           H        SER  45  -4.855  -9.435   5.197
  289    HA   SER  45           HA       SER  45  -3.189  -9.534   3.026
  290   1HB   SER  45          1HB       SER  45  -5.062 -10.324   1.820
  291   2HB   SER  45          2HB       SER  45  -5.427 -10.755   3.479
  292    HG   SER  45           HG       SER  45  -7.285  -9.756   2.977
  293    H    LYS  46           H        LYS  46  -4.484  -8.468   0.782
  294    HA   LYS  46           HA       LYS  46  -3.943  -5.639   1.181
  295   1HB   LYS  46          1HB       LYS  46  -2.938  -7.189  -0.667
  296   2HB   LYS  46          2HB       LYS  46  -4.475  -6.955  -1.473
  297   1HG   LYS  46          1HG       LYS  46  -4.180  -4.555  -1.562
  298   2HG   LYS  46          2HG       LYS  46  -2.838  -4.604  -0.436
  299   1HD   LYS  46          1HD       LYS  46  -1.786  -4.371  -2.552
  300   2HD   LYS  46          2HD       LYS  46  -1.618  -6.078  -2.193
  301   1HE   LYS  46          1HE       LYS  46  -3.996  -5.044  -3.786
  302   2HE   LYS  46          2HE       LYS  46  -2.468  -5.387  -4.572
  303    H    ASP  47           H        ASP  47  -6.383  -6.897   2.299
  304    HA   ASP  47           HA       ASP  47  -8.336  -5.540   0.614
  305   1HB   ASP  47          1HB       ASP  47  -8.569  -7.892   2.530
  306   2HB   ASP  47          2HB       ASP  47  -9.987  -6.989   2.034
  307    H    ALA  48           H        ALA  48  -7.224  -6.294   3.979
  308    HA   ALA  48           HA       ALA  48  -8.958  -4.950   5.520
  309   1HB   ALA  48          2HB       ALA  48  -6.812  -4.352   6.887
  310   2HB   ALA  48          3HB       ALA  48  -7.196  -6.065   6.597
  311   3HB   ALA  48          1HB       ALA  48  -5.952  -5.254   5.617
  312    H    PHE  49           H        PHE  49  -5.958  -3.387   4.171
  313    HA   PHE  49           HA       PHE  49  -6.315  -0.865   4.863
  314   1HB   PHE  49          1HB       PHE  49  -5.669  -2.062   2.107
  315   2HB   PHE  49          2HB       PHE  49  -5.394  -0.369   2.468
  316    HD1  PHE  49           HD1      PHE  49  -3.619   0.303   4.006
  317    HD2  PHE  49           HD2      PHE  49  -4.244  -3.782   3.044
  318    HE1  PHE  49           HE1      PHE  49  -1.355  -0.261   4.933
  319    HE2  PHE  49           HE2      PHE  49  -1.980  -4.347   3.970
  320    HZ   PHE  49           HZ       PHE  49  -0.563  -2.579   4.904
  321    H    GLU  50           H        GLU  50  -7.373   1.052   4.078
  322    HA   GLU  50           HA       GLU  50  -9.421   0.658   2.101
  323   1HB   GLU  50          1HB       GLU  50 -11.162   1.716   3.638
  324   2HB   GLU  50          2HB       GLU  50 -10.720   0.064   4.022
  325   1HG   GLU  50          1HG       GLU  50  -9.337   0.741   5.869
  326   2HG   GLU  50          2HG       GLU  50  -9.304   2.412   5.341
  327    H    LYS  51           H        LYS  51  -9.401   2.413   0.758
  328    HA   LYS  51           HA       LYS  51  -7.673   4.453   0.901
  329   1HB   LYS  51          1HB       LYS  51 -10.476   4.489  -0.254
  330   2HB   LYS  51          2HB       LYS  51  -9.252   5.696  -0.592
  331   1HG   LYS  51          1HG       LYS  51  -7.845   4.141  -1.724
  332   2HG   LYS  51          2HG       LYS  51  -8.630   2.753  -0.998
  333   1HD   LYS  51          1HD       LYS  51  -9.334   2.961  -3.344
  334   2HD   LYS  51          2HD       LYS  51 -10.709   3.240  -2.294
  335   1HE   LYS  51          1HE       LYS  51  -9.260   5.741  -2.829
  336   2HE   LYS  51          2HE       LYS  51  -9.757   4.966  -4.320
  337    H    GLN  52           H        GLN  52  -7.236   5.518   2.799
  338    HA   GLN  52           HA       GLN  52  -9.434   6.460   4.371
  339   1HB   GLN  52          1HB       GLN  52  -7.294   5.513   5.346
  340   2HB   GLN  52          2HB       GLN  52  -6.447   6.931   4.761
  341   1HG   GLN  52          1HG       GLN  52  -8.928   7.365   6.419
  342   2HG   GLN  52          2HG       GLN  52  -7.482   6.821   7.245
  343   2HE2  GLN  52          2HE2      GLN  52  -5.823   8.171   7.594
  344   1HE2  GLN  52          1HE2      GLN  52  -5.771   9.840   7.133

  No H/Q in entry =         344
  Start of MODEL   11
    1    H1   MET   1          1H        MET   1  -5.574  11.725   1.540
    2    H2   MET   1          2H        MET   1  -5.265  13.338   1.332
    3    H3   MET   1          3H        MET   1  -6.487  12.613   0.483
    4    HA   MET   1           HA       MET   1  -4.881  12.843  -1.018
    5   1HB   MET   1          1HB       MET   1  -3.187  12.491   1.372
    6   2HB   MET   1          2HB       MET   1  -2.583  11.525   0.040
    7   1HG   MET   1          1HG       MET   1  -1.532  13.487  -0.552
    8   2HG   MET   1          2HG       MET   1  -3.072  13.847  -1.306
    9   1HE   MET   1          1HE       MET   1  -0.713  15.548  -0.294
   10   2HE   MET   1          2HE       MET   1  -1.191  16.796   0.882
   11   3HE   MET   1          3HE       MET   1  -0.533  15.243   1.451
   12    H    ASP   2           H        ASP   2  -3.523  11.027  -2.247
   13    HA   ASP   2           HA       ASP   2  -5.221   8.770  -2.258
   14   1HB   ASP   2          1HB       ASP   2  -2.560   9.133  -3.707
   15   2HB   ASP   2          2HB       ASP   2  -3.847   8.028  -4.150
   16    H    ILE   3           H        ILE   3  -4.353   8.590   0.253
   17    HA   ILE   3           HA       ILE   3  -2.028   6.795   0.206
   18    HB   ILE   3           HB       ILE   3  -3.044   8.715   2.287
   19   1HG1  ILE   3          1HG1      ILE   3  -0.202   8.443   1.362
   20   2HG1  ILE   3          2HG1      ILE   3  -1.360   9.258   0.329
   21   1HG2  ILE   3          1HG2      ILE   3  -2.559   6.471   3.300
   22   2HG2  ILE   3          2HG2      ILE   3  -0.882   6.645   2.729
   23   3HG2  ILE   3          3HG2      ILE   3  -1.548   7.804   3.904
   24   1HD1  ILE   3          1HD1      ILE   3  -1.183   9.990   3.266
   25   2HD1  ILE   3          2HD1      ILE   3  -0.028  10.670   2.095
   26   3HD1  ILE   3          3HD1      ILE   3  -1.772  10.972   1.904
   27    H    TYR   4           H        TYR   4  -2.125   4.891   1.413
   28    HA   TYR   4           HA       TYR   4  -4.907   3.988   1.992
   29   1HB   TYR   4          1HB       TYR   4  -2.484   2.606   0.838
   30   2HB   TYR   4          2HB       TYR   4  -3.782   1.679   1.612
   31    HD1  TYR   4           HD1      TYR   4  -2.875   3.812  -1.260
   32    HD2  TYR   4           HD2      TYR   4  -5.968   1.468   0.581
   33    HE1  TYR   4           HE1      TYR   4  -4.173   3.865  -3.373
   34    HE2  TYR   4           HE2      TYR   4  -7.266   1.521  -1.531
   35    HH   TYR   4           HH       TYR   4  -7.466   2.714  -3.608
   36    H    VAL   5           H        VAL   5  -5.323   2.927   3.988
   37    HA   VAL   5           HA       VAL   5  -2.985   2.690   5.745
   38    HB   VAL   5           HB       VAL   5  -5.695   3.837   6.445
   39   1HG1  VAL   5          1HG1      VAL   5  -4.233   2.401   8.154
   40   2HG1  VAL   5          2HG1      VAL   5  -3.367   3.948   8.317
   41   3HG1  VAL   5          3HG1      VAL   5  -5.112   3.864   8.659
   42   1HG2  VAL   5          1HG2      VAL   5  -3.052   5.061   5.771
   43   2HG2  VAL   5          2HG2      VAL   5  -4.703   5.634   5.430
   44   3HG2  VAL   5          3HG2      VAL   5  -4.017   5.814   7.063
   45    H    CYS   6           H        CYS   6  -2.938   0.845   7.031
   46    HA   CYS   6           HA       CYS   6  -4.610  -1.266   6.174
   47   1HB   CYS   6          1HB       CYS   6  -2.246  -1.543   6.846
   48   2HB   CYS   6          2HB       CYS   6  -2.679  -1.158   8.501
   49    H    THR   7           H        THR   7  -6.160  -2.463   7.522
   50    HA   THR   7           HA       THR   7  -7.374  -0.733   9.569
   51    HB   THR   7           HB       THR   7  -9.405  -2.263   8.981
   52    HG1  THR   7           HG1      THR   7  -8.950  -3.699   7.340
   53   1HG2  THR   7          1HG2      THR   7  -9.010   0.108   8.008
   54   2HG2  THR   7          2HG2      THR   7  -8.287  -0.707   6.601
   55   3HG2  THR   7          3HG2      THR   7  -9.996  -0.988   7.011
   56    H    VAL   8           H        VAL   8  -5.025  -2.747   9.745
   57    HA   VAL   8           HA       VAL   8  -6.264  -4.406  11.833
   58    HB   VAL   8           HB       VAL   8  -3.818  -4.932  10.132
   59   1HG1  VAL   8          1HG1      VAL   8  -5.021  -6.358  12.490
   60   2HG1  VAL   8          2HG1      VAL   8  -4.195  -7.291  11.219
   61   3HG1  VAL   8          3HG1      VAL   8  -3.314  -6.027  12.111
   62   1HG2  VAL   8          1HG2      VAL   8  -6.642  -5.465   9.716
   63   2HG2  VAL   8          2HG2      VAL   8  -5.264  -5.702   8.614
   64   3HG2  VAL   8          3HG2      VAL   8  -5.704  -6.977   9.776
   65    H    CYS   9           H        CYS   9  -3.332  -2.532  10.836
   66    HA   CYS   9           HA       CYS   9  -2.814  -2.161  13.697
   67   1HB   CYS   9          1HB       CYS   9  -0.412  -1.635  12.693
   68   2HB   CYS   9          2HB       CYS   9  -0.910  -3.242  13.183
   69    H    GLY  10           H        GLY  10  -1.853  -0.693  10.500
   70   1HA   GLY  10          2HA       GLY  10  -1.891   1.959  11.566
   71   2HA   GLY  10          1HA       GLY  10  -3.324   1.621  10.615
   72    H    TYR  11           H        TYR  11   0.185   0.874  10.429
   73    HA   TYR  11           HA       TYR  11   1.722   1.489   8.802
   74   1HB   TYR  11          1HB       TYR  11   0.417  -0.714   8.169
   75   2HB   TYR  11          2HB       TYR  11  -0.224   0.284   6.853
   76    HD1  TYR  11           HD1      TYR  11   3.192   0.258   8.396
   77    HD2  TYR  11           HD2      TYR  11   0.801  -0.508   4.910
   78    HE1  TYR  11           HE1      TYR  11   5.250  -0.161   7.076
   79    HE2  TYR  11           HE2      TYR  11   2.859  -0.927   3.591
   80    HH   TYR  11           HH       TYR  11   5.610  -1.716   4.563
   81    H    GLU  12           H        GLU  12   1.158   1.931   5.912
   82    HA   GLU  12           HA       GLU  12  -0.703   3.795   5.390
   83   1HB   GLU  12          1HB       GLU  12   0.024   5.325   7.058
   84   2HB   GLU  12          2HB       GLU  12   1.720   5.031   6.727
   85   1HG   GLU  12          1HG       GLU  12   0.434   5.967   4.295
   86   2HG   GLU  12          2HG       GLU  12   0.036   7.061   5.605
   87    H    TYR  13           H        TYR  13  -0.467   2.644   3.468
   88    HA   TYR  13           HA       TYR  13   2.067   2.697   2.016
   89   1HB   TYR  13          1HB       TYR  13   0.584   0.741   1.945
   90   2HB   TYR  13          2HB       TYR  13  -0.711   1.734   1.256
   91    HD1  TYR  13           HD1      TYR  13   2.581   0.175   0.610
   92    HD2  TYR  13           HD2      TYR  13  -0.707   2.370  -1.070
   93    HE1  TYR  13           HE1      TYR  13   3.424  -0.308  -1.672
   94    HE2  TYR  13           HE2      TYR  13   0.136   1.887  -3.352
   95    HH   TYR  13           HH       TYR  13   2.527   1.284  -4.405
   96    H    ASP  14           H        ASP  14   2.499   3.879   0.061
   97    HA   ASP  14           HA       ASP  14   0.434   5.804  -0.619
   98   1HB   ASP  14          1HB       ASP  14   3.378   6.555  -0.560
   99   2HB   ASP  14          2HB       ASP  14   1.998   7.628  -0.676
  100    HA   PRO  15           HA       PRO  15   1.741   4.452  -4.671
  101   1HB   PRO  15          1HB       PRO  15   0.137   5.968  -6.196
  102   2HB   PRO  15          2HB       PRO  15  -0.577   4.823  -5.015
  103   1HG   PRO  15          1HG       PRO  15  -0.035   7.798  -4.588
  104   2HG   PRO  15          2HG       PRO  15  -1.583   6.946  -4.281
  105   1HD   PRO  15          1HD       PRO  15   0.287   7.443  -2.307
  106   2HD   PRO  15          2HD       PRO  15  -0.737   5.975  -2.302
  107    H    ALA  16           H        ALA  16   2.197   7.703  -3.366
  108    HA   ALA  16           HA       ALA  16   3.511   8.708  -5.698
  109   1HB   ALA  16          2HB       ALA  16   4.229  10.473  -3.903
  110   2HB   ALA  16          3HB       ALA  16   2.514  10.358  -4.364
  111   3HB   ALA  16          1HB       ALA  16   3.079   9.616  -2.848
  112    H    LYS  17           H        LYS  17   4.449   7.185  -2.573
  113    HA   LYS  17           HA       LYS  17   7.237   7.282  -3.451
  114   1HB   LYS  17          1HB       LYS  17   5.932   7.617  -0.926
  115   2HB   LYS  17          2HB       LYS  17   6.948   6.193  -0.825
  116   1HG   LYS  17          1HG       LYS  17   8.643   7.893  -2.159
  117   2HG   LYS  17          2HG       LYS  17   7.723   9.054  -1.223
  118   1HD   LYS  17          1HD       LYS  17   8.798   6.581   0.153
  119   2HD   LYS  17          2HD       LYS  17   9.892   7.906  -0.191
  120   1HE   LYS  17          1HE       LYS  17   9.162   8.796   1.781
  121   2HE   LYS  17          2HE       LYS  17   7.725   9.258   0.891
  122    H    GLY  18           H        GLY  18   4.499   5.125  -2.691
  123   1HA   GLY  18          2HA       GLY  18   5.719   3.000  -4.187
  124   2HA   GLY  18          1HA       GLY  18   4.157   2.995  -3.393
  125    H    ASP  19           H        ASP  19   6.711   1.146  -3.436
  126    HA   ASP  19           HA       ASP  19   7.013   1.023  -0.542
  127   1HB   ASP  19          1HB       ASP  19   6.011  -1.022  -2.454
  128   2HB   ASP  19          2HB       ASP  19   7.266  -1.617  -1.385
  129    HA   PRO  20           HA       PRO  20  11.150   0.866  -2.511
  130   1HB   PRO  20          1HB       PRO  20  12.331   2.846  -1.118
  131   2HB   PRO  20          2HB       PRO  20  11.089   3.225  -2.356
  132   1HG   PRO  20          1HG       PRO  20  10.741   2.992   0.643
  133   2HG   PRO  20          2HG       PRO  20  10.052   4.273  -0.407
  134   1HD   PRO  20          1HD       PRO  20   8.672   1.988   0.482
  135   2HD   PRO  20          2HD       PRO  20   8.253   2.902  -0.998
  136    H    ASP  21           H        ASP  21  10.165  -1.087  -0.595
  137    HA   ASP  21           HA       ASP  21  12.628  -1.622   0.674
  138   1HB   ASP  21          1HB       ASP  21  11.193  -0.001   2.226
  139   2HB   ASP  21          2HB       ASP  21  10.278  -1.453   2.577
  140    H    SER  22           H        SER  22  11.395  -3.084  -1.265
  141    HA   SER  22           HA       SER  22  10.958  -5.531  -0.072
  142   1HB   SER  22          1HB       SER  22   8.491  -5.785  -0.870
  143   2HB   SER  22          2HB       SER  22   8.790  -4.974   0.654
  144    HG   SER  22           HG       SER  22   7.263  -3.881  -0.870
  145    H    GLY  23           H        GLY  23   9.818  -3.484  -2.855
  146   1HA   GLY  23          2HA       GLY  23  10.388  -5.654  -4.719
  147   2HA   GLY  23          1HA       GLY  23  11.410  -4.235  -4.832
  148    H    ILE  24           H        ILE  24   9.742  -2.089  -4.362
  149    HA   ILE  24           HA       ILE  24   7.895  -2.321  -6.619
  150    HB   ILE  24           HB       ILE  24   7.207  -0.900  -4.050
  151   1HG1  ILE  24          1HG1      ILE  24   7.406  -3.353  -3.694
  152   2HG1  ILE  24          2HG1      ILE  24   5.785  -2.732  -3.452
  153   1HG2  ILE  24          1HG2      ILE  24   6.221  -0.431  -6.513
  154   2HG2  ILE  24          2HG2      ILE  24   5.140  -1.748  -5.997
  155   3HG2  ILE  24          3HG2      ILE  24   5.269  -0.267  -5.018
  156   1HD1  ILE  24          1HD1      ILE  24   6.226  -3.512  -6.251
  157   2HD1  ILE  24          2HD1      ILE  24   6.505  -4.862  -5.126
  158   3HD1  ILE  24          3HD1      ILE  24   4.941  -4.013  -5.127
  159    H    LYS  25           H        LYS  25   7.715  -0.433  -7.894
  160    HA   LYS  25           HA       LYS  25   9.901   1.436  -7.421
  161   1HB   LYS  25          1HB       LYS  25   8.572   0.294  -9.768
  162   2HB   LYS  25          2HB       LYS  25   8.762   2.031  -9.883
  163   1HG   LYS  25          1HG       LYS  25  11.073   1.923  -9.938
  164   2HG   LYS  25          2HG       LYS  25  11.146   0.558  -8.841
  165   1HD   LYS  25          1HD       LYS  25   9.839  -0.230 -11.333
  166   2HD   LYS  25          2HD       LYS  25  11.391   0.507 -11.677
  167   1HE   LYS  25          1HE       LYS  25  12.103  -1.671 -11.301
  168   2HE   LYS  25          2HE       LYS  25  12.212  -1.065  -9.660
  169    HA   PRO  26           HA       PRO  26   7.438   4.783  -6.128
  170   1HB   PRO  26          1HB       PRO  26   8.561   6.892  -7.483
  171   2HB   PRO  26          2HB       PRO  26   9.420   6.004  -6.182
  172   1HG   PRO  26          1HG       PRO  26   9.613   5.520  -9.131
  173   2HG   PRO  26          2HG       PRO  26  11.025   5.761  -8.052
  174   1HD   PRO  26          1HD       PRO  26  10.279   3.269  -8.644
  175   2HD   PRO  26          2HD       PRO  26  10.570   3.664  -6.922
  176    H    GLY  27           H        GLY  27   5.423   5.667  -6.711
  177   1HA   GLY  27          2HA       GLY  27   4.884   6.336  -9.466
  178   2HA   GLY  27          1HA       GLY  27   3.811   6.498  -8.090
  179    H    THR  28           H        THR  28   3.886   3.813  -7.067
  180    HA   THR  28           HA       THR  28   2.766   2.301  -9.333
  181    HB   THR  28           HB       THR  28   4.002   1.362  -6.690
  182    HG1  THR  28           HG1      THR  28   5.636   2.062  -8.121
  183   1HG2  THR  28          1HG2      THR  28   2.548  -0.016  -8.913
  184   2HG2  THR  28          2HG2      THR  28   4.116  -0.735  -8.475
  185   3HG2  THR  28          3HG2      THR  28   2.841  -0.564  -7.245
  186    H    LYS  29           H        LYS  29   0.627   2.085  -9.424
  187    HA   LYS  29           HA       LYS  29  -1.011   3.105  -7.389
  188   1HB   LYS  29          1HB       LYS  29  -1.364   1.738 -10.001
  189   2HB   LYS  29          2HB       LYS  29  -2.704   1.602  -8.880
  190   1HG   LYS  29          1HG       LYS  29  -3.176   3.873  -8.934
  191   2HG   LYS  29          2HG       LYS  29  -1.496   4.332  -9.135
  192   1HD   LYS  29          1HD       LYS  29  -1.585   4.197 -11.438
  193   2HD   LYS  29          2HD       LYS  29  -2.658   2.812 -11.426
  194   1HE   LYS  29          1HE       LYS  29  -3.734   5.479 -10.489
  195   2HE   LYS  29          2HE       LYS  29  -3.528   5.218 -12.209
  196    H    PHE  30           H        PHE  30  -2.405   2.037  -5.891
  197    HA   PHE  30           HA       PHE  30  -1.207  -0.206  -4.680
  198   1HB   PHE  30          1HB       PHE  30  -2.557   1.635  -3.566
  199   2HB   PHE  30          2HB       PHE  30  -3.983   1.101  -4.433
  200    HD1  PHE  30           HD1      PHE  30  -1.626   0.264  -1.742
  201    HD2  PHE  30           HD2      PHE  30  -5.219  -0.832  -3.716
  202    HE1  PHE  30           HE1      PHE  30  -2.179  -1.306   0.137
  203    HE2  PHE  30           HE2      PHE  30  -5.772  -2.402  -1.836
  204    HZ   PHE  30           HZ       PHE  30  -4.246  -2.620   0.067
  205    H    GLU  31           H        GLU  31  -3.455   0.147  -7.308
  206    HA   GLU  31           HA       GLU  31  -4.627  -2.437  -6.836
  207   1HB   GLU  31          1HB       GLU  31  -5.354  -0.059  -8.283
  208   2HB   GLU  31          2HB       GLU  31  -5.288  -1.378  -9.435
  209   1HG   GLU  31          1HG       GLU  31  -7.481  -1.594  -8.651
  210   2HG   GLU  31          2HG       GLU  31  -6.645  -2.715  -7.594
  211    H    ASP  32           H        ASP  32  -1.748  -1.235  -8.132
  212    HA   ASP  32           HA       ASP  32  -1.639  -3.271 -10.189
  213   1HB   ASP  32          1HB       ASP  32   0.278  -1.010  -9.451
  214   2HB   ASP  32          2HB       ASP  32   0.561  -2.142 -10.758
  215    H    LEU  33           H        LEU  33  -0.911  -2.717  -6.888
  216    HA   LEU  33           HA       LEU  33   1.587  -3.761  -6.494
  217   1HB   LEU  33          1HB       LEU  33  -0.936  -3.827  -4.861
  218   2HB   LEU  33          2HB       LEU  33   0.544  -4.562  -4.279
  219    HG   LEU  33           HG       LEU  33   0.344  -1.658  -5.113
  220   1HD1  LEU  33          1HD1      LEU  33  -1.169  -2.346  -3.173
  221   2HD1  LEU  33          2HD1      LEU  33   0.330  -2.643  -2.261
  222   3HD1  LEU  33          3HD1      LEU  33  -0.024  -1.015  -2.886
  223   1HD2  LEU  33          1HD2      LEU  33   2.510  -3.403  -4.114
  224   2HD2  LEU  33          2HD2      LEU  33   2.578  -1.923  -5.102
  225   3HD2  LEU  33          3HD2      LEU  33   2.386  -1.806  -3.336
  226    HA   PRO  34           HA       PRO  34   1.975  -7.891  -7.744
  227   1HB   PRO  34          1HB       PRO  34   2.649  -8.401  -4.820
  228   2HB   PRO  34          2HB       PRO  34   3.488  -8.923  -6.318
  229   1HG   PRO  34          1HG       PRO  34   4.323  -6.817  -4.846
  230   2HG   PRO  34          2HG       PRO  34   4.504  -6.869  -6.630
  231   1HD   PRO  34          1HD       PRO  34   2.626  -5.274  -4.901
  232   2HD   PRO  34          2HD       PRO  34   3.192  -4.941  -6.566
  233    H    ASP  35           H        ASP  35   1.029 -10.138  -7.293
  234    HA   ASP  35           HA       ASP  35  -1.582  -9.731  -6.117
  235   1HB   ASP  35          1HB       ASP  35  -0.369 -11.689  -8.071
  236   2HB   ASP  35          2HB       ASP  35  -1.780 -12.199  -7.166
  237    H    ASP  36           H        ASP  36   1.095 -10.182  -4.641
  238    HA   ASP  36           HA       ASP  36   0.111 -12.352  -3.010
  239   1HB   ASP  36          1HB       ASP  36   2.639 -13.066  -2.805
  240   2HB   ASP  36          2HB       ASP  36   1.691 -13.642  -4.162
  241    H    TRP  37           H        TRP  37   0.552  -9.252  -3.091
  242    HA   TRP  37           HA       TRP  37   2.562  -8.852  -1.057
  243   1HB   TRP  37          1HB       TRP  37   2.212  -7.291  -2.967
  244   2HB   TRP  37          2HB       TRP  37   0.642  -6.879  -2.306
  245    HD1  TRP  37           HD1      TRP  37   4.385  -6.298  -1.656
  246    HE1  TRP  37           HE1      TRP  37   4.770  -4.363   0.097
  247    HE3  TRP  37           HE3      TRP  37  -0.502  -5.802  -0.342
  248    HZ2  TRP  37           HZ2      TRP  37   3.027  -2.876   1.798
  249    HZ3  TRP  37           HZ3      TRP  37  -1.076  -4.085   1.372
  250    HH2  TRP  37           HH2      TRP  37   0.596  -2.651   2.431
  251    H    ALA  38           H        ALA  38   2.070  -8.044   1.090
  252    HA   ALA  38           HA       ALA  38  -0.677  -7.915   1.914
  253   1HB   ALA  38          2HB       ALA  38   1.107 -10.086   3.081
  254   2HB   ALA  38          1HB       ALA  38  -0.158 -10.384   1.865
  255   3HB   ALA  38          3HB       ALA  38  -0.598  -9.761   3.473
  256    H    CYS  39           H        CYS  39  -0.884  -6.927   4.015
  257    HA   CYS  39           HA       CYS  39   0.837  -4.955   4.579
  258   1HB   CYS  39          1HB       CYS  39  -1.391  -5.200   5.567
  259   2HB   CYS  39          2HB       CYS  39  -0.815  -6.507   6.582
  260    HA   PRO  40           HA       PRO  40   4.378  -7.541   5.709
  261   1HB   PRO  40          1HB       PRO  40   5.792  -4.929   5.462
  262   2HB   PRO  40          2HB       PRO  40   6.014  -6.462   4.556
  263   1HG   PRO  40          1HG       PRO  40   4.826  -4.249   3.242
  264   2HG   PRO  40          2HG       PRO  40   4.590  -6.021   3.097
  265   1HD   PRO  40          1HD       PRO  40   3.016  -3.983   4.781
  266   2HD   PRO  40          2HD       PRO  40   2.381  -5.117   3.551
  267    H    VAL  41           H        VAL  41   2.615  -5.084   7.306
  268    HA   VAL  41           HA       VAL  41   4.540  -4.793   9.454
  269    HB   VAL  41           HB       VAL  41   1.734  -3.714   9.116
  270   1HG1  VAL  41          1HG1      VAL  41   2.526  -3.816  11.465
  271   2HG1  VAL  41          2HG1      VAL  41   3.943  -2.840  11.008
  272   3HG1  VAL  41          3HG1      VAL  41   2.308  -2.148  10.884
  273   1HG2  VAL  41          1HG2      VAL  41   4.183  -2.993   7.803
  274   2HG2  VAL  41          2HG2      VAL  41   2.568  -2.261   7.647
  275   3HG2  VAL  41          3HG2      VAL  41   3.697  -1.670   8.890
  276    H    CYS  42           H        CYS  42   1.019  -5.698   9.283
  277    HA   CYS  42           HA       CYS  42   1.479  -7.381  11.607
  278   1HB   CYS  42          1HB       CYS  42  -0.948  -7.473  11.792
  279   2HB   CYS  42          2HB       CYS  42  -0.354  -5.825  11.780
  280    H    GLY  43           H        GLY  43   0.301  -7.402   8.192
  281   1HA   GLY  43          2HA       GLY  43   0.347 -10.356   8.252
  282   2HA   GLY  43          1HA       GLY  43   1.186  -9.447   7.010
  283    H    ALA  44           H        ALA  44  -1.910  -8.363   8.438
  284    HA   ALA  44           HA       ALA  44  -3.880  -9.421   7.144
  285   1HB   ALA  44          1HB       ALA  44  -3.171  -6.520   7.527
  286   2HB   ALA  44          3HB       ALA  44  -4.432  -7.493   8.320
  287   3HB   ALA  44          2HB       ALA  44  -4.657  -6.943   6.642
  288    H    SER  45           H        SER  45  -4.685  -9.818   5.098
  289    HA   SER  45           HA       SER  45  -2.896  -9.771   2.997
  290   1HB   SER  45          1HB       SER  45  -4.726 -10.587   1.647
  291   2HB   SER  45          2HB       SER  45  -4.907 -11.279   3.247
  292    HG   SER  45           HG       SER  45  -6.834 -10.375   3.356
  293    H    LYS  46           H        LYS  46  -4.183  -8.797   0.716
  294    HA   LYS  46           HA       LYS  46  -3.942  -5.936   1.173
  295   1HB   LYS  46          1HB       LYS  46  -2.691  -7.311  -0.637
  296   2HB   LYS  46          2HB       LYS  46  -4.212  -7.294  -1.506
  297   1HG   LYS  46          1HG       LYS  46  -4.259  -4.816  -1.443
  298   2HG   LYS  46          2HG       LYS  46  -2.796  -4.789  -0.479
  299   1HD   LYS  46          1HD       LYS  46  -2.042  -4.394  -2.705
  300   2HD   LYS  46          2HD       LYS  46  -1.660  -6.079  -2.411
  301   1HE   LYS  46          1HE       LYS  46  -2.843  -6.585  -4.283
  302   2HE   LYS  46          2HE       LYS  46  -4.297  -6.161  -3.400
  303    H    ASP  47           H        ASP  47  -6.287  -7.400   2.193
  304    HA   ASP  47           HA       ASP  47  -8.270  -6.043   0.544
  305   1HB   ASP  47          1HB       ASP  47  -8.089  -8.800   0.916
  306   2HB   ASP  47          2HB       ASP  47  -9.231  -8.341   2.163
  307    H    ALA  48           H        ALA  48  -6.780  -5.013   2.853
  308    HA   ALA  48           HA       ALA  48  -8.989  -4.803   4.775
  309   1HB   ALA  48          2HB       ALA  48  -6.606  -4.408   6.206
  310   2HB   ALA  48          3HB       ALA  48  -7.668  -5.833   6.280
  311   3HB   ALA  48          1HB       ALA  48  -6.279  -5.816   5.168
  312    H    PHE  49           H        PHE  49  -5.980  -3.389   3.360
  313    HA   PHE  49           HA       PHE  49  -6.114  -0.903   4.495
  314   1HB   PHE  49          1HB       PHE  49  -5.312  -1.969   1.732
  315   2HB   PHE  49          2HB       PHE  49  -5.036  -0.292   2.157
  316    HD1  PHE  49           HD1      PHE  49  -3.364   0.311   3.830
  317    HD2  PHE  49           HD2      PHE  49  -3.995  -3.740   2.737
  318    HE1  PHE  49           HE1      PHE  49  -1.185  -0.319   4.907
  319    HE2  PHE  49           HE2      PHE  49  -1.817  -4.370   3.814
  320    HZ   PHE  49           HZ       PHE  49  -0.438  -2.652   4.886
  321    H    GLU  50           H        GLU  50  -6.921   1.171   3.746
  322    HA   GLU  50           HA       GLU  50  -8.738   1.207   1.573
  323   1HB   GLU  50          1HB       GLU  50 -10.417   0.355   2.964
  324   2HB   GLU  50          2HB       GLU  50  -9.760   1.104   4.406
  325   1HG   GLU  50          1HG       GLU  50 -10.681   2.970   2.243
  326   2HG   GLU  50          2HG       GLU  50 -11.934   2.076   3.080
  327    H    LYS  51           H        LYS  51  -9.076   3.343   0.828
  328    HA   LYS  51           HA       LYS  51  -7.231   5.225   1.296
  329   1HB   LYS  51          1HB       LYS  51  -8.804   6.844   0.340
  330   2HB   LYS  51          2HB       LYS  51  -8.823   5.326  -0.534
  331   1HG   LYS  51          1HG       LYS  51 -10.766   5.066   1.549
  332   2HG   LYS  51          2HG       LYS  51 -11.007   6.657   0.855
  333   1HD   LYS  51          1HD       LYS  51 -12.139   5.652  -0.836
  334   2HD   LYS  51          2HD       LYS  51 -10.605   5.015  -1.394
  335   1HE   LYS  51          1HE       LYS  51 -12.027   3.102  -1.142
  336   2HE   LYS  51          2HE       LYS  51 -10.946   3.056   0.237
  337    H    GLN  52           H        GLN  52  -6.497   5.789   3.301
  338    HA   GLN  52           HA       GLN  52  -8.386   7.230   4.927
  339   1HB   GLN  52          1HB       GLN  52  -7.567   4.551   5.576
  340   2HB   GLN  52          2HB       GLN  52  -6.810   5.626   6.734
  341   1HG   GLN  52          1HG       GLN  52  -9.670   6.240   6.143
  342   2HG   GLN  52          2HG       GLN  52  -9.399   4.700   6.933
  343   2HE2  GLN  52          2HE2      GLN  52  -9.352   8.126   7.201
  344   1HE2  GLN  52          1HE2      GLN  52  -8.959   8.263   8.883

  No H/Q in entry =         344
  Start of MODEL   12
    1    H1   MET   1          1H        MET   1  -4.813  11.725  -5.745
    2    H2   MET   1          2H        MET   1  -4.634  13.237  -5.095
    3    H3   MET   1          3H        MET   1  -3.522  12.057  -4.763
    4    HA   MET   1           HA       MET   1  -4.631  12.003  -2.913
    5   1HB   MET   1          1HB       MET   1  -6.665  13.271  -4.598
    6   2HB   MET   1          2HB       MET   1  -7.421  12.042  -3.604
    7   1HG   MET   1          1HG       MET   1  -7.497  13.978  -2.231
    8   2HG   MET   1          2HG       MET   1  -6.117  13.097  -1.606
    9   1HE   MET   1          1HE       MET   1  -6.211  15.375  -0.615
   10   2HE   MET   1          2HE       MET   1  -4.512  15.865  -0.814
   11   3HE   MET   1          3HE       MET   1  -5.817  16.907  -1.430
   12    H    ASP   2           H        ASP   2  -4.267   9.867  -2.430
   13    HA   ASP   2           HA       ASP   2  -6.299   8.031  -2.793
   14   1HB   ASP   2          1HB       ASP   2  -4.231   8.130  -4.925
   15   2HB   ASP   2          2HB       ASP   2  -4.431   6.537  -4.222
   16    H    ILE   3           H        ILE   3  -5.589   8.071  -0.466
   17    HA   ILE   3           HA       ILE   3  -3.045   6.671  -0.040
   18    HB   ILE   3           HB       ILE   3  -4.627   8.533   1.730
   19   1HG1  ILE   3          1HG1      ILE   3  -1.821   9.148   1.271
   20   2HG1  ILE   3          2HG1      ILE   3  -2.700   9.039  -0.242
   21   1HG2  ILE   3          1HG2      ILE   3  -3.625   6.569   2.954
   22   2HG2  ILE   3          2HG2      ILE   3  -2.027   7.159   2.438
   23   3HG2  ILE   3          3HG2      ILE   3  -3.057   8.174   3.475
   24   1HD1  ILE   3          1HD1      ILE   3  -3.891  10.577   2.083
   25   2HD1  ILE   3          2HD1      ILE   3  -2.662  11.330   1.039
   26   3HD1  ILE   3          3HD1      ILE   3  -4.200  10.769   0.341
   27    H    TYR   4           H        TYR   4  -2.975   4.932   1.390
   28    HA   TYR   4           HA       TYR   4  -5.575   3.805   2.252
   29   1HB   TYR   4          1HB       TYR   4  -3.487   2.389   0.563
   30   2HB   TYR   4          2HB       TYR   4  -4.842   1.582   1.372
   31    HD1  TYR   4           HD1      TYR   4  -3.899   3.952  -1.315
   32    HD2  TYR   4           HD2      TYR   4  -7.077   1.701   0.498
   33    HE1  TYR   4           HE1      TYR   4  -5.346   4.417  -3.275
   34    HE2  TYR   4           HE2      TYR   4  -8.524   2.165  -1.462
   35    HH   TYR   4           HH       TYR   4  -7.944   4.515  -3.737
   36    H    VAL   5           H        VAL   5  -5.442   3.101   4.370
   37    HA   VAL   5           HA       VAL   5  -2.739   2.440   5.315
   38    HB   VAL   5           HB       VAL   5  -4.884   3.693   7.016
   39   1HG1  VAL   5          1HG1      VAL   5  -2.390   2.561   7.586
   40   2HG1  VAL   5          2HG1      VAL   5  -2.109   4.318   7.632
   41   3HG1  VAL   5          3HG1      VAL   5  -3.369   3.592   8.657
   42   1HG2  VAL   5          1HG2      VAL   5  -3.087   4.996   5.025
   43   2HG2  VAL   5          2HG2      VAL   5  -4.699   5.477   5.608
   44   3HG2  VAL   5          3HG2      VAL   5  -3.260   5.789   6.609
   45    H    CYS   6           H        CYS   6  -2.618   0.744   6.914
   46    HA   CYS   6           HA       CYS   6  -4.550  -1.271   6.448
   47   1HB   CYS   6          1HB       CYS   6  -2.118  -1.672   6.804
   48   2HB   CYS   6          2HB       CYS   6  -2.314  -1.213   8.484
   49    H    THR   7           H        THR   7  -5.980  -2.236   8.075
   50    HA   THR   7           HA       THR   7  -6.655  -0.335  10.224
   51    HB   THR   7           HB       THR   7  -8.360  -0.582   8.395
   52    HG1  THR   7           HG1      THR   7  -9.635  -0.384  10.191
   53   1HG2  THR   7          1HG2      THR   7  -7.676  -3.351   8.561
   54   2HG2  THR   7          2HG2      THR   7  -9.314  -3.209   9.245
   55   3HG2  THR   7          3HG2      THR   7  -8.986  -2.629   7.595
   56    H    VAL   8           H        VAL   8  -4.659  -2.710  10.048
   57    HA   VAL   8           HA       VAL   8  -5.847  -4.237  12.259
   58    HB   VAL   8           HB       VAL   8  -3.626  -5.009  10.356
   59   1HG1  VAL   8          1HG1      VAL   8  -3.532  -6.042  12.633
   60   2HG1  VAL   8          2HG1      VAL   8  -5.150  -6.726  12.343
   61   3HG1  VAL   8          3HG1      VAL   8  -3.779  -7.217  11.318
   62   1HG2  VAL   8          1HG2      VAL   8  -6.526  -5.114  10.082
   63   2HG2  VAL   8          2HG2      VAL   8  -5.253  -5.430   8.879
   64   3HG2  VAL   8          3HG2      VAL   8  -5.789  -6.730   9.970
   65    H    CYS   9           H        CYS   9  -2.851  -2.649  11.002
   66    HA   CYS   9           HA       CYS   9  -1.938  -2.541  13.784
   67   1HB   CYS   9          1HB       CYS   9   0.340  -2.112  12.623
   68   2HB   CYS   9          2HB       CYS   9  -0.279  -3.744  12.776
   69    H    GLY  10           H        GLY  10  -1.553  -0.814  10.592
   70   1HA   GLY  10          2HA       GLY  10  -1.696   1.740  12.069
   71   2HA   GLY  10          1HA       GLY  10  -2.683   1.450  10.650
   72    H    TYR  11           H        TYR  11  -1.305   0.419   8.753
   73    HA   TYR  11           HA       TYR  11   1.220   1.988   8.517
   74   1HB   TYR  11          1HB       TYR  11   1.591  -0.419   8.464
   75   2HB   TYR  11          2HB       TYR  11   0.354  -0.612   7.210
   76    HD1  TYR  11           HD1      TYR  11   3.539   1.286   7.837
   77    HD2  TYR  11           HD2      TYR  11   1.038  -0.753   5.002
   78    HE1  TYR  11           HE1      TYR  11   5.266   1.603   6.086
   79    HE2  TYR  11           HE2      TYR  11   2.766  -0.437   3.250
   80    HH   TYR  11           HH       TYR  11   5.088   1.667   3.231
   81    H    GLU  12           H        GLU  12   0.894   3.827   7.293
   82    HA   GLU  12           HA       GLU  12  -1.266   3.773   5.402
   83   1HB   GLU  12          1HB       GLU  12  -0.906   6.172   5.215
   84   2HB   GLU  12          2HB       GLU  12  -0.882   5.735   6.912
   85   1HG   GLU  12          1HG       GLU  12   1.700   5.555   6.665
   86   2HG   GLU  12          2HG       GLU  12   1.501   6.360   5.121
   87    H    TYR  13           H        TYR  13  -0.969   3.069   3.407
   88    HA   TYR  13           HA       TYR  13   1.726   2.854   2.282
   89   1HB   TYR  13          1HB       TYR  13   0.187   1.010   1.996
   90   2HB   TYR  13          2HB       TYR  13  -1.035   2.080   1.290
   91    HD1  TYR  13           HD1      TYR  13   2.190   0.368   0.720
   92    HD2  TYR  13           HD2      TYR  13  -0.887   2.817  -1.010
   93    HE1  TYR  13           HE1      TYR  13   3.103  -0.081  -1.541
   94    HE2  TYR  13           HE2      TYR  13   0.027   2.367  -3.271
   95    HH   TYR  13           HH       TYR  13   2.694   1.571  -4.118
   96    H    ASP  14           H        ASP  14   2.561   4.069   0.528
   97    HA   ASP  14           HA       ASP  14   0.778   6.211  -0.332
   98   1HB   ASP  14          1HB       ASP  14   3.790   6.244   0.155
   99   2HB   ASP  14          2HB       ASP  14   2.951   7.531  -0.688
  100    HA   PRO  15           HA       PRO  15   1.854   4.633  -4.371
  101   1HB   PRO  15          1HB       PRO  15   0.543   6.391  -5.914
  102   2HB   PRO  15          2HB       PRO  15  -0.364   5.402  -4.723
  103   1HG   PRO  15          1HG       PRO  15   0.517   8.328  -4.279
  104   2HG   PRO  15          2HG       PRO  15  -1.034   7.463  -4.022
  105   1HD   PRO  15          1HD       PRO  15   0.998   7.884  -2.081
  106   2HD   PRO  15          2HD       PRO  15  -0.286   6.640  -1.978
  107    H    ALA  16           H        ALA  16   2.738   7.887  -3.199
  108    HA   ALA  16           HA       ALA  16   4.334   8.468  -5.508
  109   1HB   ALA  16          2HB       ALA  16   5.068  10.398  -4.059
  110   2HB   ALA  16          3HB       ALA  16   3.306  10.282  -4.281
  111   3HB   ALA  16          1HB       ALA  16   4.049   9.738  -2.757
  112    H    LYS  17           H        LYS  17   4.801   7.160  -2.190
  113    HA   LYS  17           HA       LYS  17   7.655   6.930  -2.705
  114   1HB   LYS  17          1HB       LYS  17   6.001   7.292  -0.378
  115   2HB   LYS  17          2HB       LYS  17   6.948   5.831  -0.184
  116   1HG   LYS  17          1HG       LYS  17   8.959   6.966  -0.138
  117   2HG   LYS  17          2HG       LYS  17   8.443   8.154  -1.318
  118   1HD   LYS  17          1HD       LYS  17   8.036   9.629   0.351
  119   2HD   LYS  17          2HD       LYS  17   6.801   8.561   0.989
  120   1HE   LYS  17          1HE       LYS  17   9.735   8.055   1.599
  121   2HE   LYS  17          2HE       LYS  17   8.824   9.226   2.533
  122    H    GLY  18           H        GLY  18   4.708   4.939  -2.128
  123   1HA   GLY  18          2HA       GLY  18   5.873   2.770  -3.631
  124   2HA   GLY  18          1HA       GLY  18   4.265   2.859  -2.941
  125    H    ASP  19           H        ASP  19   6.979   1.053  -2.806
  126    HA   ASP  19           HA       ASP  19   7.332   0.922   0.007
  127   1HB   ASP  19          1HB       ASP  19   5.703  -1.155  -1.488
  128   2HB   ASP  19          2HB       ASP  19   6.669  -1.644  -0.110
  129    HA   PRO  20           HA       PRO  20  10.972   0.106  -2.803
  130   1HB   PRO  20          1HB       PRO  20  12.061   0.403   0.028
  131   2HB   PRO  20          2HB       PRO  20  12.719   0.978  -1.538
  132   1HG   PRO  20          1HG       PRO  20  11.299   2.638   0.123
  133   2HG   PRO  20          2HG       PRO  20  11.269   2.748  -1.667
  134   1HD   PRO  20          1HD       PRO  20   9.187   1.750   0.266
  135   2HD   PRO  20          2HD       PRO  20   8.981   2.383  -1.396
  136    H    ASP  21           H        ASP  21  10.379  -1.266   0.542
  137    HA   ASP  21           HA       ASP  21  11.930  -3.500   0.131
  138   1HB   ASP  21          1HB       ASP  21  10.711  -4.458   2.045
  139   2HB   ASP  21          2HB       ASP  21  11.066  -2.767   2.342
  140    H    SER  22           H        SER  22  11.202  -5.782  -0.283
  141    HA   SER  22           HA       SER  22   9.884  -7.356  -1.089
  142   1HB   SER  22          1HB       SER  22   7.906  -5.820  -0.289
  143   2HB   SER  22          2HB       SER  22   7.768  -5.375  -1.978
  144    HG   SER  22           HG       SER  22   6.437  -7.263  -1.182
  145    H    GLY  23           H        GLY  23   9.508  -4.269  -2.986
  146   1HA   GLY  23          2HA       GLY  23  10.142  -5.755  -5.441
  147   2HA   GLY  23          1HA       GLY  23  11.173  -4.420  -4.966
  148    H    ILE  24           H        ILE  24   9.811  -2.327  -4.258
  149    HA   ILE  24           HA       ILE  24   7.974  -1.873  -6.482
  150    HB   ILE  24           HB       ILE  24   7.356  -0.935  -3.687
  151   1HG1  ILE  24          1HG1      ILE  24   7.376  -3.427  -3.787
  152   2HG1  ILE  24          2HG1      ILE  24   5.811  -2.735  -3.412
  153   1HG2  ILE  24          1HG2      ILE  24   6.199  -0.543  -6.349
  154   2HG2  ILE  24          2HG2      ILE  24   5.018  -1.086  -5.133
  155   3HG2  ILE  24          3HG2      ILE  24   5.978   0.385  -4.846
  156   1HD1  ILE  24          1HD1      ILE  24   6.243  -3.063  -6.318
  157   2HD1  ILE  24          2HD1      ILE  24   6.306  -4.596  -5.416
  158   3HD1  ILE  24          3HD1      ILE  24   4.862  -3.561  -5.312
  159    H    LYS  25           H        LYS  25   8.095   0.210  -7.364
  160    HA   LYS  25           HA       LYS  25  10.243   1.845  -6.206
  161   1HB   LYS  25          1HB       LYS  25   9.755   0.868  -8.895
  162   2HB   LYS  25          2HB       LYS  25   9.824   2.619  -8.876
  163   1HG   LYS  25          1HG       LYS  25  12.093   1.974  -9.137
  164   2HG   LYS  25          2HG       LYS  25  11.970   2.366  -7.434
  165   1HD   LYS  25          1HD       LYS  25  12.183   0.156  -6.757
  166   2HD   LYS  25          2HD       LYS  25  11.356  -0.475  -8.167
  167   1HE   LYS  25          1HE       LYS  25  13.802   0.803  -9.047
  168   2HE   LYS  25          2HE       LYS  25  14.191  -0.271  -7.718
  169    HA   PRO  26           HA       PRO  26   7.570   5.069  -5.068
  170   1HB   PRO  26          1HB       PRO  26   9.499   6.814  -6.628
  171   2HB   PRO  26          2HB       PRO  26   8.882   6.965  -4.950
  172   1HG   PRO  26          1HG       PRO  26  11.403   5.984  -5.457
  173   2HG   PRO  26          2HG       PRO  26  10.244   5.552  -4.158
  174   1HD   PRO  26          1HD       PRO  26  11.012   4.059  -6.693
  175   2HD   PRO  26          2HD       PRO  26  10.594   3.409  -5.079
  176    H    GLY  27           H        GLY  27   5.659   5.844  -5.999
  177   1HA   GLY  27          2HA       GLY  27   5.696   6.654  -8.796
  178   2HA   GLY  27          1HA       GLY  27   4.398   6.860  -7.638
  179    H    THR  28           H        THR  28   3.910   4.328  -6.641
  180    HA   THR  28           HA       THR  28   3.106   2.887  -9.077
  181    HB   THR  28           HB       THR  28   4.153   1.679  -6.463
  182    HG1  THR  28           HG1      THR  28   5.880   2.591  -7.680
  183   1HG2  THR  28          1HG2      THR  28   2.578   0.510  -8.503
  184   2HG2  THR  28          2HG2      THR  28   4.251   0.075  -8.927
  185   3HG2  THR  28          3HG2      THR  28   3.594  -0.364  -7.332
  186    H    LYS  29           H        LYS  29   0.969   2.735  -9.274
  187    HA   LYS  29           HA       LYS  29  -0.766   3.684  -7.331
  188   1HB   LYS  29          1HB       LYS  29  -1.020   2.160  -9.887
  189   2HB   LYS  29          2HB       LYS  29  -2.413   2.195  -8.824
  190   1HG   LYS  29          1HG       LYS  29  -2.719   4.494  -9.053
  191   2HG   LYS  29          2HG       LYS  29  -1.012   4.813  -9.288
  192   1HD   LYS  29          1HD       LYS  29  -1.126   4.507 -11.566
  193   2HD   LYS  29          2HD       LYS  29  -2.237   3.158 -11.436
  194   1HE   LYS  29          1HE       LYS  29  -3.219   5.946 -10.771
  195   2HE   LYS  29          2HE       LYS  29  -3.056   5.477 -12.452
  196    H    PHE  30           H        PHE  30  -2.487   2.449  -6.154
  197    HA   PHE  30           HA       PHE  30  -1.227   0.281  -4.751
  198   1HB   PHE  30          1HB       PHE  30  -2.586   2.167  -3.705
  199   2HB   PHE  30          2HB       PHE  30  -3.995   1.620  -4.592
  200    HD1  PHE  30           HD1      PHE  30  -1.605   0.669  -1.934
  201    HD2  PHE  30           HD2      PHE  30  -5.345  -0.140  -3.770
  202    HE1  PHE  30           HE1      PHE  30  -2.203  -0.866  -0.040
  203    HE2  PHE  30           HE2      PHE  30  -5.942  -1.675  -1.876
  204    HZ   PHE  30           HZ       PHE  30  -4.365  -2.019  -0.033
  205    H    GLU  31           H        GLU  31  -2.957   0.493  -7.625
  206    HA   GLU  31           HA       GLU  31  -4.369  -1.995  -7.128
  207   1HB   GLU  31          1HB       GLU  31  -4.617   0.195  -9.200
  208   2HB   GLU  31          2HB       GLU  31  -5.248  -1.401  -9.557
  209   1HG   GLU  31          1HG       GLU  31  -7.131  -0.743  -8.462
  210   2HG   GLU  31          2HG       GLU  31  -6.216  -0.968  -6.985
  211    H    ASP  32           H        ASP  32  -1.554  -0.612  -8.682
  212    HA   ASP  32           HA       ASP  32  -1.288  -2.777 -10.526
  213   1HB   ASP  32          1HB       ASP  32   0.676  -0.583  -9.711
  214   2HB   ASP  32          2HB       ASP  32   0.899  -1.676 -11.062
  215    H    LEU  33           H        LEU  33  -0.971  -2.496  -7.226
  216    HA   LEU  33           HA       LEU  33   1.581  -3.453  -6.660
  217   1HB   LEU  33          1HB       LEU  33  -1.050  -3.595  -5.200
  218   2HB   LEU  33          2HB       LEU  33   0.428  -4.255  -4.529
  219    HG   LEU  33           HG       LEU  33   0.209  -1.371  -5.406
  220   1HD1  LEU  33          1HD1      LEU  33  -1.549  -1.822  -3.748
  221   2HD1  LEU  33          2HD1      LEU  33  -0.324  -2.472  -2.633
  222   3HD1  LEU  33          3HD1      LEU  33  -0.278  -0.756  -3.105
  223   1HD2  LEU  33          1HD2      LEU  33   2.337  -3.020  -4.420
  224   2HD2  LEU  33          2HD2      LEU  33   2.369  -1.311  -4.916
  225   3HD2  LEU  33          3HD2      LEU  33   1.984  -1.742  -3.232
  226    HA   PRO  34           HA       PRO  34   1.996  -7.549  -8.020
  227   1HB   PRO  34          1HB       PRO  34   2.649  -8.123  -5.108
  228   2HB   PRO  34          2HB       PRO  34   3.519  -8.576  -6.610
  229   1HG   PRO  34          1HG       PRO  34   4.353  -6.439  -5.057
  230   2HG   PRO  34          2HG       PRO  34   4.413  -6.642  -6.839
  231   1HD   PRO  34          1HD       PRO  34   2.560  -4.971  -5.106
  232   2HD   PRO  34          2HD       PRO  34   3.195  -4.628  -6.743
  233    H    ASP  35           H        ASP  35   1.108  -9.842  -7.538
  234    HA   ASP  35           HA       ASP  35  -1.537  -9.466  -6.420
  235   1HB   ASP  35          1HB       ASP  35  -0.734 -10.634  -8.761
  236   2HB   ASP  35          2HB       ASP  35  -0.737 -12.047  -7.724
  237    H    ASP  36           H        ASP  36   1.136  -9.890  -4.915
  238    HA   ASP  36           HA       ASP  36   0.153 -12.064  -3.291
  239   1HB   ASP  36          1HB       ASP  36   2.059 -12.736  -5.024
  240   2HB   ASP  36          2HB       ASP  36   3.118 -11.913  -3.896
  241    H    TRP  37           H        TRP  37   0.560  -8.967  -3.360
  242    HA   TRP  37           HA       TRP  37   2.571  -8.536  -1.338
  243   1HB   TRP  37          1HB       TRP  37   2.170  -6.969  -3.229
  244   2HB   TRP  37          2HB       TRP  37   0.591  -6.605  -2.559
  245    HD1  TRP  37           HD1      TRP  37   4.331  -5.991  -1.847
  246    HE1  TRP  37           HE1      TRP  37   4.664  -4.034  -0.109
  247    HE3  TRP  37           HE3      TRP  37  -0.593  -5.480  -0.684
  248    HZ2  TRP  37           HZ2      TRP  37   2.872  -2.525   1.520
  249    HZ3  TRP  37           HZ3      TRP  37  -1.216  -3.741   0.990
  250    HH2  TRP  37           HH2      TRP  37   0.424  -2.292   2.079
  251    H    ALA  38           H        ALA  38   2.121  -7.900   0.840
  252    HA   ALA  38           HA       ALA  38  -0.643  -7.830   1.686
  253   1HB   ALA  38          1HB       ALA  38   0.616 -10.284   1.671
  254   2HB   ALA  38          2HB       ALA  38   0.964  -9.699   3.316
  255   3HB   ALA  38          3HB       ALA  38  -0.720  -9.828   2.756
  256    H    CYS  39           H        CYS  39  -0.858  -6.944   3.866
  257    HA   CYS  39           HA       CYS  39   0.674  -4.814   4.387
  258   1HB   CYS  39          1HB       CYS  39  -1.448  -5.311   5.496
  259   2HB   CYS  39          2HB       CYS  39  -0.685  -6.579   6.435
  260    HA   PRO  40           HA       PRO  40   4.528  -7.026   5.262
  261   1HB   PRO  40          1HB       PRO  40   5.665  -4.294   4.946
  262   2HB   PRO  40          2HB       PRO  40   5.956  -5.790   3.999
  263   1HG   PRO  40          1HG       PRO  40   4.463  -3.678   2.802
  264   2HG   PRO  40          2HG       PRO  40   4.413  -5.466   2.668
  265   1HD   PRO  40          1HD       PRO  40   2.757  -3.614   4.488
  266   2HD   PRO  40          2HD       PRO  40   2.154  -4.782   3.274
  267    H    VAL  41           H        VAL  41   2.625  -4.779   6.991
  268    HA   VAL  41           HA       VAL  41   4.647  -4.279   9.008
  269    HB   VAL  41           HB       VAL  41   1.723  -3.516   8.875
  270   1HG1  VAL  41          1HG1      VAL  41   3.986  -2.602  10.676
  271   2HG1  VAL  41          2HG1      VAL  41   2.420  -1.768  10.539
  272   3HG1  VAL  41          3HG1      VAL  41   2.488  -3.438  11.151
  273   1HG2  VAL  41          1HG2      VAL  41   3.996  -2.519   7.411
  274   2HG2  VAL  41          2HG2      VAL  41   2.292  -2.009   7.333
  275   3HG2  VAL  41          3HG2      VAL  41   3.393  -1.258   8.514
  276    H    CYS  42           H        CYS  42   1.236  -5.544   9.088
  277    HA   CYS  42           HA       CYS  42   2.070  -7.219  11.319
  278   1HB   CYS  42          1HB       CYS  42  -0.317  -7.508  11.755
  279   2HB   CYS  42          2HB       CYS  42   0.165  -5.823  11.765
  280    H    GLY  43           H        GLY  43   0.503  -7.242   8.063
  281   1HA   GLY  43          2HA       GLY  43   0.709 -10.186   8.026
  282   2HA   GLY  43          1HA       GLY  43   1.435  -9.221   6.757
  283    H    ALA  44           H        ALA  44  -1.604  -8.311   8.420
  284    HA   ALA  44           HA       ALA  44  -3.600  -9.415   7.186
  285   1HB   ALA  44          1HB       ALA  44  -3.362  -7.152   8.567
  286   2HB   ALA  44          2HB       ALA  44  -3.547  -6.419   6.956
  287   3HB   ALA  44          3HB       ALA  44  -4.816  -7.489   7.598
  288    H    SER  45           H        SER  45  -4.522  -9.713   5.170
  289    HA   SER  45           HA       SER  45  -2.911  -9.554   2.975
  290   1HB   SER  45          1HB       SER  45  -5.588 -10.377   3.588
  291   2HB   SER  45          2HB       SER  45  -5.684  -9.366   2.160
  292    HG   SER  45           HG       SER  45  -4.727 -10.888   0.988
  293    H    LYS  46           H        LYS  46  -4.352  -8.359   0.856
  294    HA   LYS  46           HA       LYS  46  -3.799  -5.568   1.418
  295   1HB   LYS  46          1HB       LYS  46  -2.883  -6.818  -0.588
  296   2HB   LYS  46          2HB       LYS  46  -4.514  -6.858  -1.227
  297   1HG   LYS  46          1HG       LYS  46  -4.635  -4.390  -1.193
  298   2HG   LYS  46          2HG       LYS  46  -3.064  -4.292  -0.421
  299   1HD   LYS  46          1HD       LYS  46  -2.235  -4.108  -2.539
  300   2HD   LYS  46          2HD       LYS  46  -2.467  -5.843  -2.632
  301   1HE   LYS  46          1HE       LYS  46  -4.946  -4.321  -3.192
  302   2HE   LYS  46          2HE       LYS  46  -3.651  -3.949  -4.313
  303    H    ASP  47           H        ASP  47  -6.193  -7.088   2.533
  304    HA   ASP  47           HA       ASP  47  -8.225  -5.416   1.276
  305   1HB   ASP  47          1HB       ASP  47  -8.337  -8.158   2.570
  306   2HB   ASP  47          2HB       ASP  47  -9.781  -7.167   2.518
  307    H    ALA  48           H        ALA  48  -6.211  -5.882   3.973
  308    HA   ALA  48           HA       ALA  48  -8.100  -5.170   6.017
  309   1HB   ALA  48          2HB       ALA  48  -5.476  -4.802   6.960
  310   2HB   ALA  48          3HB       ALA  48  -6.493  -6.248   7.167
  311   3HB   ALA  48          1HB       ALA  48  -5.361  -6.145   5.797
  312    H    PHE  49           H        PHE  49  -6.748  -3.503   3.456
  313    HA   PHE  49           HA       PHE  49  -6.333  -1.059   4.993
  314   1HB   PHE  49          1HB       PHE  49  -5.848  -2.002   2.111
  315   2HB   PHE  49          2HB       PHE  49  -5.627  -0.324   2.567
  316    HD1  PHE  49           HD1      PHE  49  -4.423  -3.761   3.239
  317    HD2  PHE  49           HD2      PHE  49  -3.642   0.393   3.621
  318    HE1  PHE  49           HE1      PHE  49  -2.077  -4.269   3.973
  319    HE2  PHE  49           HE2      PHE  49  -1.296  -0.115   4.355
  320    HZ   PHE  49           HZ       PHE  49  -0.542  -2.440   4.522
  321    H    GLU  50           H        GLU  50  -7.726   0.678   4.911
  322    HA   GLU  50           HA       GLU  50  -9.879   0.468   2.958
  323   1HB   GLU  50          1HB       GLU  50 -11.540   0.805   4.543
  324   2HB   GLU  50          2HB       GLU  50 -10.399  -0.123   5.495
  325   1HG   GLU  50          1HG       GLU  50  -9.420   2.009   6.385
  326   2HG   GLU  50          2HG       GLU  50 -10.581   2.927   5.448
  327    H    LYS  51           H        LYS  51 -10.173   2.309   1.751
  328    HA   LYS  51           HA       LYS  51  -8.429   4.322   1.611
  329   1HB   LYS  51          1HB       LYS  51 -10.166   5.622   0.488
  330   2HB   LYS  51          2HB       LYS  51 -10.212   3.941  -0.005
  331   1HG   LYS  51          1HG       LYS  51 -11.910   4.119   2.280
  332   2HG   LYS  51          2HG       LYS  51 -12.284   5.525   1.302
  333   1HD   LYS  51          1HD       LYS  51 -13.686   3.996   0.268
  334   2HD   LYS  51          2HD       LYS  51 -12.247   3.728  -0.695
  335   1HE   LYS  51          1HE       LYS  51 -11.921   1.621   0.147
  336   2HE   LYS  51          2HE       LYS  51 -12.279   2.116   1.790
  337    H    GLN  52           H        GLN  52  -7.539   5.238   3.434
  338    HA   GLN  52           HA       GLN  52  -9.448   6.460   5.264
  339   1HB   GLN  52          1HB       GLN  52  -7.480   4.722   5.908
  340   2HB   GLN  52          2HB       GLN  52  -6.543   6.201   5.981
  341   1HG   GLN  52          1HG       GLN  52  -9.044   6.723   7.301
  342   2HG   GLN  52          2HG       GLN  52  -8.459   5.184   7.900
  343   2HE2  GLN  52          2HE2      GLN  52  -7.219   8.407   7.022
  344   1HE2  GLN  52          1HE2      GLN  52  -6.153   8.608   8.372

  No H/Q in entry =         344
  Start of MODEL   13
    1    H1   MET   1          1H        MET   1  -4.849  11.897  -1.475
    2    H2   MET   1          2H        MET   1  -3.765  13.102  -1.135
    3    H3   MET   1          3H        MET   1  -4.870  13.301  -2.352
    4    HA   MET   1           HA       MET   1  -3.637  12.432  -3.798
    5   1HB   MET   1          1HB       MET   1  -1.785  12.476  -1.382
    6   2HB   MET   1          2HB       MET   1  -1.196  11.796  -2.886
    7   1HG   MET   1          1HG       MET   1  -2.553  14.357  -3.360
    8   2HG   MET   1          2HG       MET   1  -1.272  14.540  -2.178
    9   1HE   MET   1          1HE       MET   1   0.729  14.778  -2.433
   10   2HE   MET   1          2HE       MET   1   1.702  13.535  -3.255
   11   3HE   MET   1          3HE       MET   1   1.539  15.156  -3.972
   12    H    ASP   2           H        ASP   2  -5.445  10.582  -3.141
   13    HA   ASP   2           HA       ASP   2  -5.919   8.465  -2.842
   14   1HB   ASP   2          1HB       ASP   2  -3.374   8.173  -4.506
   15   2HB   ASP   2          2HB       ASP   2  -4.557   6.898  -4.291
   16    H    ILE   3           H        ILE   3  -5.482   8.270  -0.516
   17    HA   ILE   3           HA       ILE   3  -2.889   7.030   0.090
   18    HB   ILE   3           HB       ILE   3  -4.689   8.785   1.753
   19   1HG1  ILE   3          1HG1      ILE   3  -1.819   9.377   1.564
   20   2HG1  ILE   3          2HG1      ILE   3  -2.639   9.433   0.016
   21   1HG2  ILE   3          1HG2      ILE   3  -2.695   6.763   2.583
   22   2HG2  ILE   3          2HG2      ILE   3  -2.546   8.363   3.348
   23   3HG2  ILE   3          3HG2      ILE   3  -4.074   7.458   3.467
   24   1HD1  ILE   3          1HD1      ILE   3  -4.165  10.713   2.217
   25   2HD1  ILE   3          2HD1      ILE   3  -2.609  11.496   1.849
   26   3HD1  ILE   3          3HD1      ILE   3  -3.832  11.303   0.571
   27    H    TYR   4           H        TYR   4  -2.856   5.219   1.410
   28    HA   TYR   4           HA       TYR   4  -5.493   3.864   1.735
   29   1HB   TYR   4          1HB       TYR   4  -2.819   2.831   0.776
   30   2HB   TYR   4          2HB       TYR   4  -4.049   1.746   1.446
   31    HD1  TYR   4           HD1      TYR   4  -3.207   4.013  -1.349
   32    HD2  TYR   4           HD2      TYR   4  -6.066   1.219   0.224
   33    HE1  TYR   4           HE1      TYR   4  -4.315   3.900  -3.565
   34    HE2  TYR   4           HE2      TYR   4  -7.174   1.106  -1.992
   35    HH   TYR   4           HH       TYR   4  -6.721   3.290  -4.456
   36    H    VAL   5           H        VAL   5  -5.868   2.808   3.736
   37    HA   VAL   5           HA       VAL   5  -3.632   3.000   5.632
   38    HB   VAL   5           HB       VAL   5  -6.564   3.552   6.131
   39   1HG1  VAL   5          1HG1      VAL   5  -4.179   3.368   7.977
   40   2HG1  VAL   5          2HG1      VAL   5  -5.616   4.330   8.396
   41   3HG1  VAL   5          3HG1      VAL   5  -5.768   2.579   8.118
   42   1HG2  VAL   5          1HG2      VAL   5  -4.155   5.340   5.813
   43   2HG2  VAL   5          2HG2      VAL   5  -5.758   5.464   5.050
   44   3HG2  VAL   5          3HG2      VAL   5  -5.562   5.852   6.776
   45    H    CYS   6           H        CYS   6  -3.280   1.200   6.931
   46    HA   CYS   6           HA       CYS   6  -4.471  -1.204   6.002
   47   1HB   CYS   6          1HB       CYS   6  -2.096  -0.967   6.734
   48   2HB   CYS   6          2HB       CYS   6  -2.656  -0.780   8.384
   49    H    THR   7           H        THR   7  -5.850  -2.643   7.245
   50    HA   THR   7           HA       THR   7  -7.324  -1.233   9.367
   51    HB   THR   7           HB       THR   7  -9.103  -3.013   8.652
   52    HG1  THR   7           HG1      THR   7  -8.446  -4.218   6.892
   53   1HG2  THR   7          1HG2      THR   7  -8.879  -0.486   7.808
   54   2HG2  THR   7          2HG2      THR   7  -8.349  -1.261   6.296
   55   3HG2  THR   7          3HG2      THR   7  -9.963  -1.612   6.957
   56    H    VAL   8           H        VAL   8  -4.720  -2.998   9.355
   57    HA   VAL   8           HA       VAL   8  -5.715  -4.933  11.327
   58    HB   VAL   8           HB       VAL   8  -3.241  -4.917   9.589
   59   1HG1  VAL   8          1HG1      VAL   8  -4.082  -6.837  11.783
   60   2HG1  VAL   8          2HG1      VAL   8  -2.832  -7.195  10.568
   61   3HG1  VAL   8          3HG1      VAL   8  -2.603  -5.849  11.710
   62   1HG2  VAL   8          1HG2      VAL   8  -5.918  -6.036   9.302
   63   2HG2  VAL   8          2HG2      VAL   8  -4.602  -5.901   8.111
   64   3HG2  VAL   8          3HG2      VAL   8  -4.660  -7.292   9.220
   65    H    CYS   9           H        CYS   9  -3.126  -2.522  10.575
   66    HA   CYS   9           HA       CYS   9  -2.794  -2.242  13.472
   67   1HB   CYS   9          1HB       CYS   9  -0.393  -1.504  12.793
   68   2HB   CYS   9          2HB       CYS   9  -0.783  -3.201  12.989
   69    H    GLY  10           H        GLY  10  -1.768  -0.613  10.374
   70   1HA   GLY  10          2HA       GLY  10  -2.716   1.938  11.512
   71   2HA   GLY  10          1HA       GLY  10  -3.222   1.427   9.915
   72    H    TYR  11           H        TYR  11  -1.231   0.536   8.559
   73    HA   TYR  11           HA       TYR  11   1.040   2.436   8.891
   74   1HB   TYR  11          1HB       TYR  11   1.967   0.309   8.942
   75   2HB   TYR  11          2HB       TYR  11   0.769  -0.357   7.820
   76    HD1  TYR  11           HD1      TYR  11   3.767   1.849   8.044
   77    HD2  TYR  11           HD2      TYR  11   1.186  -0.449   5.493
   78    HE1  TYR  11           HE1      TYR  11   5.364   2.136   6.169
   79    HE2  TYR  11           HE2      TYR  11   2.783  -0.162   3.618
   80    HH   TYR  11           HH       TYR  11   5.958   0.939   3.979
   81    H    GLU  12           H        GLU  12   0.027   4.255   7.805
   82    HA   GLU  12           HA       GLU  12  -1.406   4.138   5.530
   83   1HB   GLU  12          1HB       GLU  12  -0.360   6.475   5.068
   84   2HB   GLU  12          2HB       GLU  12  -1.243   6.248   6.565
   85   1HG   GLU  12          1HG       GLU  12   0.716   6.190   7.880
   86   2HG   GLU  12          2HG       GLU  12   1.729   5.690   6.540
   87    H    TYR  13           H        TYR  13  -1.045   3.342   3.580
   88    HA   TYR  13           HA       TYR  13   1.718   2.793   2.718
   89   1HB   TYR  13          1HB       TYR  13   0.229   0.968   2.452
   90   2HB   TYR  13          2HB       TYR  13  -1.036   1.995   1.756
   91    HD1  TYR  13           HD1      TYR  13   2.308   0.489   1.112
   92    HD2  TYR  13           HD2      TYR  13  -1.133   2.427  -0.577
   93    HE1  TYR  13           HE1      TYR  13   3.122  -0.053  -1.167
   94    HE2  TYR  13           HE2      TYR  13  -0.320   1.885  -2.856
   95    HH   TYR  13           HH       TYR  13   2.358   1.315  -3.832
   96    H    ASP  14           H        ASP  14   2.705   4.672   1.914
   97    HA   ASP  14           HA       ASP  14   1.153   6.535   0.463
   98   1HB   ASP  14          1HB       ASP  14   3.529   6.639   1.832
   99   2HB   ASP  14          2HB       ASP  14   4.137   6.530   0.192
  100    HA   PRO  15           HA       PRO  15   1.881   4.555  -3.486
  101   1HB   PRO  15          1HB       PRO  15   0.461   6.239  -5.043
  102   2HB   PRO  15          2HB       PRO  15  -0.350   5.280  -3.762
  103   1HG   PRO  15          1HG       PRO  15   0.284   8.409  -3.414
  104   2HG   PRO  15          2HG       PRO  15  -0.930   7.104  -3.212
  105   1HD   PRO  15          1HD       PRO  15   1.222   7.975  -1.386
  106   2HD   PRO  15          2HD       PRO  15  -0.068   6.769  -1.093
  107    H    ALA  16           H        ALA  16   2.779   7.929  -2.674
  108    HA   ALA  16           HA       ALA  16   4.222   8.312  -5.112
  109   1HB   ALA  16          2HB       ALA  16   5.102  10.100  -3.079
  110   2HB   ALA  16          1HB       ALA  16   3.357   9.850  -2.829
  111   3HB   ALA  16          3HB       ALA  16   3.957  10.425  -4.403
  112    H    LYS  17           H        LYS  17   4.778   6.770  -2.013
  113    HA   LYS  17           HA       LYS  17   7.661   6.767  -2.523
  114   1HB   LYS  17          1HB       LYS  17   6.203   7.235  -0.198
  115   2HB   LYS  17          2HB       LYS  17   6.756   5.584  -0.006
  116   1HG   LYS  17          1HG       LYS  17   9.008   6.905  -1.050
  117   2HG   LYS  17          2HG       LYS  17   8.308   8.092   0.033
  118   1HD   LYS  17          1HD       LYS  17   8.329   5.380   1.205
  119   2HD   LYS  17          2HD       LYS  17   9.937   5.933   0.780
  120   1HE   LYS  17          1HE       LYS  17   9.980   7.308   2.583
  121   2HE   LYS  17          2HE       LYS  17   8.546   8.142   2.018
  122    H    GLY  18           H        GLY  18   4.806   4.651  -1.886
  123   1HA   GLY  18          2HA       GLY  18   5.919   2.597  -3.560
  124   2HA   GLY  18          1HA       GLY  18   4.390   2.576  -2.704
  125    H    ASP  19           H        ASP  19   7.036   0.784  -2.952
  126    HA   ASP  19           HA       ASP  19   7.738   0.589  -0.189
  127   1HB   ASP  19          1HB       ASP  19   5.715  -1.145  -1.402
  128   2HB   ASP  19          2HB       ASP  19   7.097  -2.094  -0.891
  129    HA   PRO  20           HA       PRO  20  11.034  -0.640  -3.148
  130   1HB   PRO  20          1HB       PRO  20  13.002   0.930  -2.216
  131   2HB   PRO  20          2HB       PRO  20  11.611   1.660  -3.081
  132   1HG   PRO  20          1HG       PRO  20  11.965   1.279  -0.182
  133   2HG   PRO  20          2HG       PRO  20  11.517   2.886  -0.842
  134   1HD   PRO  20          1HD       PRO  20   9.624   1.248   0.183
  135   2HD   PRO  20          2HD       PRO  20   9.297   2.128  -1.340
  136    H    ASP  21           H        ASP  21  10.375  -2.651  -1.547
  137    HA   ASP  21           HA       ASP  21  12.850  -3.162  -0.132
  138   1HB   ASP  21          1HB       ASP  21  11.187  -2.472   1.579
  139   2HB   ASP  21          2HB       ASP  21  10.044  -3.653   0.971
  140    H    SER  22           H        SER  22   9.593  -4.438  -1.153
  141    HA   SER  22           HA       SER  22  10.715  -7.056  -1.485
  142   1HB   SER  22          1HB       SER  22   8.497  -6.981  -0.558
  143   2HB   SER  22          2HB       SER  22   7.926  -5.891  -1.806
  144    HG   SER  22           HG       SER  22   8.891  -8.548  -2.406
  145    H    GLY  23           H        GLY  23   8.863  -4.700  -3.564
  146   1HA   GLY  23          2HA       GLY  23   9.431  -6.018  -5.993
  147   2HA   GLY  23          1HA       GLY  23  10.629  -4.768  -5.723
  148    H    ILE  24           H        ILE  24   9.402  -2.638  -4.632
  149    HA   ILE  24           HA       ILE  24   7.426  -1.957  -6.669
  150    HB   ILE  24           HB       ILE  24   7.033  -1.256  -3.765
  151   1HG1  ILE  24          1HG1      ILE  24   6.943  -3.729  -4.113
  152   2HG1  ILE  24          2HG1      ILE  24   5.444  -3.020  -3.546
  153   1HG2  ILE  24          1HG2      ILE  24   5.951  -0.186  -6.088
  154   2HG2  ILE  24          2HG2      ILE  24   4.703  -1.315  -5.510
  155   3HG2  ILE  24          3HG2      ILE  24   5.304  -0.027  -4.438
  156   1HD1  ILE  24          1HD1      ILE  24   5.544  -3.002  -6.471
  157   2HD1  ILE  24          2HD1      ILE  24   5.780  -4.644  -5.827
  158   3HD1  ILE  24          3HD1      ILE  24   4.325  -3.717  -5.391
  159    H    LYS  25           H        LYS  25   7.565   0.179  -7.398
  160    HA   LYS  25           HA       LYS  25   9.792   1.688  -6.217
  161   1HB   LYS  25          1HB       LYS  25   9.254   0.859  -8.944
  162   2HB   LYS  25          2HB       LYS  25   9.346   2.606  -8.840
  163   1HG   LYS  25          1HG       LYS  25  11.607   2.148  -9.060
  164   2HG   LYS  25          2HG       LYS  25  11.489   2.069  -7.313
  165   1HD   LYS  25          1HD       LYS  25  11.031  -0.453  -7.574
  166   2HD   LYS  25          2HD       LYS  25  11.461  -0.275  -9.263
  167   1HE   LYS  25          1HE       LYS  25  13.558  -0.805  -8.429
  168   2HE   LYS  25          2HE       LYS  25  13.632   0.933  -8.225
  169    HA   PRO  26           HA       PRO  26   7.251   4.956  -4.925
  170   1HB   PRO  26          1HB       PRO  26   9.115   6.709  -6.553
  171   2HB   PRO  26          2HB       PRO  26   8.592   6.832  -4.841
  172   1HG   PRO  26          1HG       PRO  26  11.078   5.828  -5.482
  173   2HG   PRO  26          2HG       PRO  26   9.956   5.389  -4.154
  174   1HD   PRO  26          1HD       PRO  26  10.585   3.950  -6.763
  175   2HD   PRO  26          2HD       PRO  26  10.262   3.262  -5.143
  176    H    GLY  27           H        GLY  27   5.317   5.819  -5.737
  177   1HA   GLY  27          2HA       GLY  27   5.208   6.694  -8.501
  178   2HA   GLY  27          1HA       GLY  27   3.959   6.831  -7.280
  179    H    THR  28           H        THR  28   3.475   4.294  -6.379
  180    HA   THR  28           HA       THR  28   2.632   2.922  -8.841
  181    HB   THR  28           HB       THR  28   3.769   1.656  -6.292
  182    HG1  THR  28           HG1      THR  28   5.411   2.622  -7.615
  183   1HG2  THR  28          1HG2      THR  28   2.277   0.588  -8.599
  184   2HG2  THR  28          2HG2      THR  28   3.911  -0.110  -8.488
  185   3HG2  THR  28          3HG2      THR  28   2.790  -0.247  -7.113
  186    H    LYS  29           H        LYS  29   0.491   2.809  -8.996
  187    HA   LYS  29           HA       LYS  29  -1.158   3.597  -6.862
  188   1HB   LYS  29          1HB       LYS  29  -2.989   3.057  -8.361
  189   2HB   LYS  29          2HB       LYS  29  -1.734   3.922  -9.224
  190   1HG   LYS  29          1HG       LYS  29  -0.837   1.467  -9.773
  191   2HG   LYS  29          2HG       LYS  29  -2.484   0.997  -9.401
  192   1HD   LYS  29          1HD       LYS  29  -2.399   3.365 -11.151
  193   2HD   LYS  29          2HD       LYS  29  -1.547   2.008 -11.859
  194   1HE   LYS  29          1HE       LYS  29  -3.564   0.555 -11.452
  195   2HE   LYS  29          2HE       LYS  29  -4.414   1.942 -10.800
  196    H    PHE  30           H        PHE  30  -2.538   2.397  -5.491
  197    HA   PHE  30           HA       PHE  30  -1.463  -0.040  -4.619
  198   1HB   PHE  30          1HB       PHE  30  -2.782   1.672  -3.281
  199   2HB   PHE  30          2HB       PHE  30  -4.207   1.303  -4.232
  200    HD1  PHE  30           HD1      PHE  30  -5.212  -1.010  -4.061
  201    HD2  PHE  30           HD2      PHE  30  -2.213   0.371  -1.395
  202    HE1  PHE  30           HE1      PHE  30  -5.839  -2.807  -2.425
  203    HE2  PHE  30           HE2      PHE  30  -2.841  -1.425   0.241
  204    HZ   PHE  30           HZ       PHE  30  -4.646  -2.993  -0.293
  205    H    GLU  31           H        GLU  31  -3.430   0.678  -7.322
  206    HA   GLU  31           HA       GLU  31  -4.855  -1.818  -7.191
  207   1HB   GLU  31          1HB       GLU  31  -4.888   0.565  -9.064
  208   2HB   GLU  31          2HB       GLU  31  -5.652  -0.939  -9.540
  209   1HG   GLU  31          1HG       GLU  31  -6.840  -0.826  -7.196
  210   2HG   GLU  31          2HG       GLU  31  -6.344   0.855  -7.188
  211    H    ASP  32           H        ASP  32  -1.742  -1.200  -7.696
  212    HA   ASP  32           HA       ASP  32  -1.596  -3.063  -9.934
  213   1HB   ASP  32          1HB       ASP  32   0.072  -0.616  -9.271
  214   2HB   ASP  32          2HB       ASP  32   0.782  -1.922 -10.200
  215    H    LEU  33           H        LEU  33  -1.517  -3.023  -6.740
  216    HA   LEU  33           HA       LEU  33   1.139  -3.906  -6.155
  217   1HB   LEU  33          1HB       LEU  33  -1.421  -3.893  -4.554
  218   2HB   LEU  33          2HB       LEU  33   0.131  -4.411  -3.926
  219    HG   LEU  33           HG       LEU  33  -0.313  -1.647  -5.069
  220   1HD1  LEU  33          1HD1      LEU  33  -0.730  -2.621  -2.236
  221   2HD1  LEU  33          2HD1      LEU  33  -0.479  -0.912  -2.663
  222   3HD1  LEU  33          3HD1      LEU  33  -1.890  -1.790  -3.299
  223   1HD2  LEU  33          1HD2      LEU  33   1.997  -3.047  -4.247
  224   2HD2  LEU  33          2HD2      LEU  33   1.847  -1.329  -4.687
  225   3HD2  LEU  33          3HD2      LEU  33   1.662  -1.833  -2.989
  226    HA   PRO  34           HA       PRO  34   1.200  -8.069  -7.383
  227   1HB   PRO  34          1HB       PRO  34   2.082  -8.544  -4.517
  228   2HB   PRO  34          2HB       PRO  34   2.799  -9.097  -6.065
  229   1HG   PRO  34          1HG       PRO  34   3.851  -6.926  -4.676
  230   2HG   PRO  34          2HG       PRO  34   3.775  -7.287  -6.432
  231   1HD   PRO  34          1HD       PRO  34   2.197  -5.315  -4.755
  232   2HD   PRO  34          2HD       PRO  34   2.688  -5.205  -6.473
  233    H    ASP  35           H        ASP  35   0.184 -10.244  -6.771
  234    HA   ASP  35           HA       ASP  35  -2.329  -9.665  -5.492
  235   1HB   ASP  35          1HB       ASP  35  -1.704 -11.112  -7.721
  236   2HB   ASP  35          2HB       ASP  35  -1.678 -12.404  -6.538
  237    H    ASP  36           H        ASP  36   0.359  -9.989  -4.037
  238    HA   ASP  36           HA       ASP  36  -0.620 -11.868  -2.102
  239   1HB   ASP  36          1HB       ASP  36   1.278 -12.732  -3.956
  240   2HB   ASP  36          2HB       ASP  36   2.284 -12.209  -2.620
  241    H    TRP  37           H        TRP  37  -0.035  -8.880  -2.552
  242    HA   TRP  37           HA       TRP  37   2.268  -8.310  -0.946
  243   1HB   TRP  37          1HB       TRP  37   1.569  -6.868  -2.800
  244   2HB   TRP  37          2HB       TRP  37   0.060  -6.522  -1.980
  245    HD1  TRP  37           HD1      TRP  37   3.801  -5.648  -1.808
  246    HE1  TRP  37           HE1      TRP  37   4.231  -3.562  -0.249
  247    HE3  TRP  37           HE3      TRP  37  -0.941  -5.366   0.007
  248    HZ2  TRP  37           HZ2      TRP  37   2.576  -2.062   1.528
  249    HZ3  TRP  37           HZ3      TRP  37  -1.450  -3.562   1.650
  250    HH2  TRP  37           HH2      TRP  37   0.217  -1.945   2.412
  251    H    ALA  38           H        ALA  38   2.119  -7.126   1.149
  252    HA   ALA  38           HA       ALA  38  -0.404  -7.227   2.527
  253   1HB   ALA  38          2HB       ALA  38   1.907  -8.858   3.631
  254   2HB   ALA  38          3HB       ALA  38   0.227  -8.795   4.213
  255   3HB   ALA  38          1HB       ALA  38   0.601  -9.577   2.659
  256    H    CYS  39           H        CYS  39  -0.142  -6.266   4.784
  257    HA   CYS  39           HA       CYS  39   1.351  -3.915   4.566
  258   1HB   CYS  39          1HB       CYS  39  -0.707  -4.056   5.851
  259   2HB   CYS  39          2HB       CYS  39   0.026  -5.191   6.967
  260    HA   PRO  40           HA       PRO  40   5.336  -5.725   5.478
  261   1HB   PRO  40          1HB       PRO  40   5.977  -2.796   5.818
  262   2HB   PRO  40          2HB       PRO  40   6.748  -4.051   4.794
  263   1HG   PRO  40          1HG       PRO  40   5.107  -2.158   3.660
  264   2HG   PRO  40          2HG       PRO  40   5.333  -3.884   3.227
  265   1HD   PRO  40          1HD       PRO  40   3.117  -2.535   4.849
  266   2HD   PRO  40          2HD       PRO  40   2.972  -3.767   3.559
  267    H    VAL  41           H        VAL  41   3.212  -3.792   7.484
  268    HA   VAL  41           HA       VAL  41   5.034  -3.788   9.721
  269    HB   VAL  41           HB       VAL  41   2.112  -3.029   9.526
  270   1HG1  VAL  41          1HG1      VAL  41   4.131  -2.950  11.709
  271   2HG1  VAL  41          2HG1      VAL  41   3.099  -1.511  11.526
  272   3HG1  VAL  41          3HG1      VAL  41   2.359  -3.109  11.784
  273   1HG2  VAL  41          1HG2      VAL  41   4.576  -1.653   8.674
  274   2HG2  VAL  41          2HG2      VAL  41   2.881  -1.371   8.209
  275   3HG2  VAL  41          3HG2      VAL  41   3.516  -0.680   9.722
  276    H    CYS  42           H        CYS  42   1.667  -5.079   9.223
  277    HA   CYS  42           HA       CYS  42   2.316  -7.138  11.169
  278   1HB   CYS  42          1HB       CYS  42  -0.141  -7.612  11.067
  279   2HB   CYS  42          2HB       CYS  42   0.308  -6.040  11.698
  280    H    GLY  43           H        GLY  43   0.986  -6.654   7.825
  281   1HA   GLY  43          2HA       GLY  43   2.089  -9.276   7.085
  282   2HA   GLY  43          1HA       GLY  43   1.688  -7.957   6.003
  283    H    ALA  44           H        ALA  44  -0.900  -7.231   6.747
  284    HA   ALA  44           HA       ALA  44  -2.491  -9.645   6.870
  285   1HB   ALA  44          1HB       ALA  44  -2.896  -7.364   8.074
  286   2HB   ALA  44          3HB       ALA  44  -4.284  -8.204   7.341
  287   3HB   ALA  44          2HB       ALA  44  -3.529  -6.830   6.498
  288    H    SER  45           H        SER  45  -4.374  -9.841   5.262
  289    HA   SER  45           HA       SER  45  -3.312 -10.113   2.739
  290   1HB   SER  45          1HB       SER  45  -6.138 -10.110   3.834
  291   2HB   SER  45          2HB       SER  45  -5.866 -10.273   2.110
  292    HG   SER  45           HG       SER  45  -4.162 -11.994   3.198
  293    H    LYS  46           H        LYS  46  -3.418  -8.852   0.831
  294    HA   LYS  46           HA       LYS  46  -3.377  -6.131   1.063
  295   1HB   LYS  46          1HB       LYS  46  -2.468  -7.428  -0.826
  296   2HB   LYS  46          2HB       LYS  46  -4.092  -7.787  -1.376
  297   1HG   LYS  46          1HG       LYS  46  -4.553  -5.371  -1.698
  298   2HG   LYS  46          2HG       LYS  46  -2.975  -4.961  -1.056
  299   1HD   LYS  46          1HD       LYS  46  -2.131  -5.129  -3.152
  300   2HD   LYS  46          2HD       LYS  46  -2.445  -6.852  -3.099
  301   1HE   LYS  46          1HE       LYS  46  -3.886  -6.510  -4.829
  302   2HE   LYS  46          2HE       LYS  46  -4.975  -5.804  -3.652
  303    H    ASP  47           H        ASP  47  -6.125  -8.298   1.040
  304    HA   ASP  47           HA       ASP  47  -7.943  -6.250   0.243
  305   1HB   ASP  47          1HB       ASP  47  -8.127  -8.862  -0.045
  306   2HB   ASP  47          2HB       ASP  47  -8.684  -8.858   1.616
  307    H    ALA  48           H        ALA  48  -6.500  -5.232   2.372
  308    HA   ALA  48           HA       ALA  48  -8.439  -5.368   4.570
  309   1HB   ALA  48          2HB       ALA  48  -6.440  -5.120   6.115
  310   2HB   ALA  48          1HB       ALA  48  -5.404  -5.490   4.715
  311   3HB   ALA  48          3HB       ALA  48  -6.573  -6.698   5.302
  312    H    PHE  49           H        PHE  49  -5.744  -3.597   2.933
  313    HA   PHE  49           HA       PHE  49  -6.164  -1.176   4.255
  314   1HB   PHE  49          1HB       PHE  49  -5.038  -2.070   1.547
  315   2HB   PHE  49          2HB       PHE  49  -5.019  -0.376   1.995
  316    HD1  PHE  49           HD1      PHE  49  -3.675  -3.701   2.805
  317    HD2  PHE  49           HD2      PHE  49  -3.469   0.457   3.626
  318    HE1  PHE  49           HE1      PHE  49  -1.518  -4.052   4.039
  319    HE2  PHE  49           HE2      PHE  49  -1.311   0.107   4.859
  320    HZ   PHE  49           HZ       PHE  49  -0.361  -2.144   5.051
  321    H    GLU  50           H        GLU  50  -7.154   0.815   3.497
  322    HA   GLU  50           HA       GLU  50  -8.831   0.683   1.208
  323   1HB   GLU  50          1HB       GLU  50 -10.496  -0.331   2.492
  324   2HB   GLU  50          2HB       GLU  50  -9.979   0.440   3.979
  325   1HG   GLU  50          1HG       GLU  50 -10.975   2.257   1.804
  326   2HG   GLU  50          2HG       GLU  50 -12.172   1.242   2.585
  327    H    LYS  51           H        LYS  51  -9.341   2.775   0.441
  328    HA   LYS  51           HA       LYS  51  -7.728   4.835   1.001
  329   1HB   LYS  51          1HB       LYS  51 -10.623   4.905   0.110
  330   2HB   LYS  51          2HB       LYS  51  -9.566   6.302   0.082
  331   1HG   LYS  51          1HG       LYS  51  -8.041   5.229  -1.479
  332   2HG   LYS  51          2HG       LYS  51  -8.831   3.677  -1.284
  333   1HD   LYS  51          1HD       LYS  51 -10.432   6.055  -2.271
  334   2HD   LYS  51          2HD       LYS  51  -9.393   5.190  -3.386
  335   1HE   LYS  51          1HE       LYS  51 -10.960   3.568  -3.614
  336   2HE   LYS  51          2HE       LYS  51 -10.859   3.212  -1.901
  337    H    GLN  52           H        GLN  52  -7.157   5.536   3.006
  338    HA   GLN  52           HA       GLN  52  -7.348   6.664   4.865
  339   1HB   GLN  52          1HB       GLN  52  -9.541   7.619   3.522
  340   2HB   GLN  52          2HB       GLN  52 -10.319   6.924   4.930
  341   1HG   GLN  52          1HG       GLN  52  -9.306   8.413   6.410
  342   2HG   GLN  52          2HG       GLN  52  -7.862   8.581   5.431
  343   2HE2  GLN  52          2HE2      GLN  52  -7.810  10.763   5.372
  344   1HE2  GLN  52          1HE2      GLN  52  -8.968  11.761   4.557

  No H/Q in entry =         344
  Start of MODEL   14
    1    H1   MET   1          1H        MET   1  -7.409   9.579   0.173
    2    H2   MET   1          2H        MET   1  -5.973  10.378  -0.032
    3    H3   MET   1          3H        MET   1  -7.364  11.233   0.238
    4    HA   MET   1           HA       MET   1  -8.290  10.566  -1.751
    5   1HB   MET   1          1HB       MET   1  -5.547  11.847  -1.691
    6   2HB   MET   1          2HB       MET   1  -6.228  11.494  -3.266
    7   1HG   MET   1          1HG       MET   1  -8.384  12.702  -2.383
    8   2HG   MET   1          2HG       MET   1  -7.353  13.320  -1.108
    9   1HE   MET   1          1HE       MET   1  -8.703  13.497  -4.378
   10   2HE   MET   1          2HE       MET   1  -8.828  15.177  -3.803
   11   3HE   MET   1          3HE       MET   1  -7.861  14.800  -5.249
   12    H    ASP   2           H        ASP   2  -4.797   9.531  -1.681
   13    HA   ASP   2           HA       ASP   2  -5.638   7.274  -3.325
   14   1HB   ASP   2          1HB       ASP   2  -3.039   8.862  -3.273
   15   2HB   ASP   2          2HB       ASP   2  -3.130   7.277  -4.015
   16    H    ILE   3           H        ILE   3  -3.478   8.560  -0.730
   17    HA   ILE   3           HA       ILE   3  -2.055   6.356  -0.049
   18    HB   ILE   3           HB       ILE   3  -3.280   8.492   1.691
   19   1HG1  ILE   3          1HG1      ILE   3  -0.377   8.438   1.169
   20   2HG1  ILE   3          2HG1      ILE   3  -1.359   8.708  -0.258
   21   1HG2  ILE   3          1HG2      ILE   3  -1.489   6.193   2.385
   22   2HG2  ILE   3          2HG2      ILE   3  -1.259   7.759   3.201
   23   3HG2  ILE   3          3HG2      ILE   3  -2.827   6.923   3.305
   24   1HD1  ILE   3          1HD1      ILE   3  -2.406  10.269   1.974
   25   2HD1  ILE   3          2HD1      ILE   3  -0.677  10.611   1.726
   26   3HD1  ILE   3          3HD1      ILE   3  -1.828  10.828   0.386
   27    H    TYR   4           H        TYR   4  -2.305   4.632   1.375
   28    HA   TYR   4           HA       TYR   4  -5.136   3.910   1.973
   29   1HB   TYR   4          1HB       TYR   4  -2.878   2.264   0.812
   30   2HB   TYR   4          2HB       TYR   4  -4.269   1.515   1.615
   31    HD1  TYR   4           HD1      TYR   4  -3.217   3.618  -1.262
   32    HD2  TYR   4           HD2      TYR   4  -6.390   1.345   0.532
   33    HE1  TYR   4           HE1      TYR   4  -4.509   3.753  -3.375
   34    HE2  TYR   4           HE2      TYR   4  -7.681   1.480  -1.581
   35    HH   TYR   4           HH       TYR   4  -6.358   2.990  -4.522
   36    H    VAL   5           H        VAL   5  -5.531   2.991   4.037
   37    HA   VAL   5           HA       VAL   5  -3.127   2.692   5.698
   38    HB   VAL   5           HB       VAL   5  -5.785   3.944   6.412
   39   1HG1  VAL   5          1HG1      VAL   5  -4.331   2.443   8.128
   40   2HG1  VAL   5          2HG1      VAL   5  -3.521   4.014   8.336
   41   3HG1  VAL   5          3HG1      VAL   5  -5.272   3.870   8.623
   42   1HG2  VAL   5          1HG2      VAL   5  -4.284   5.407   5.113
   43   2HG2  VAL   5          2HG2      VAL   5  -4.488   5.983   6.784
   44   3HG2  VAL   5          3HG2      VAL   5  -2.994   5.140   6.310
   45    H    CYS   6           H        CYS   6  -3.080   0.899   7.069
   46    HA   CYS   6           HA       CYS   6  -4.811  -1.213   6.316
   47   1HB   CYS   6          1HB       CYS   6  -2.408  -1.474   6.925
   48   2HB   CYS   6          2HB       CYS   6  -2.818  -1.107   8.589
   49    H    THR   7           H        THR   7  -6.404  -2.277   7.672
   50    HA   THR   7           HA       THR   7  -7.476  -0.494   9.746
   51    HB   THR   7           HB       THR   7  -9.559  -1.993   9.269
   52    HG1  THR   7           HG1      THR   7  -7.991  -3.546   8.139
   53   1HG2  THR   7          1HG2      THR   7  -8.355   0.121   7.576
   54   2HG2  THR   7          2HG2      THR   7  -9.427  -0.970   6.666
   55   3HG2  THR   7          3HG2      THR   7 -10.049  -0.087   8.081
   56    H    VAL   8           H        VAL   8  -5.207  -2.685   9.794
   57    HA   VAL   8           HA       VAL   8  -6.401  -4.249  11.971
   58    HB   VAL   8           HB       VAL   8  -3.933  -4.787  10.308
   59   1HG1  VAL   8          1HG1      VAL   8  -5.305  -6.304  12.531
   60   2HG1  VAL   8          2HG1      VAL   8  -4.292  -7.132  11.323
   61   3HG1  VAL   8          3HG1      VAL   8  -3.586  -5.870  12.362
   62   1HG2  VAL   8          1HG2      VAL   8  -6.799  -5.462   9.929
   63   2HG2  VAL   8          2HG2      VAL   8  -5.489  -5.286   8.736
   64   3HG2  VAL   8          3HG2      VAL   8  -5.641  -6.790   9.676
   65    H    CYS   9           H        CYS   9  -3.495  -2.355  10.943
   66    HA   CYS   9           HA       CYS   9  -2.949  -1.976  13.798
   67   1HB   CYS   9          1HB       CYS   9  -0.568  -1.410  12.725
   68   2HB   CYS   9          2HB       CYS   9  -1.024  -3.005  13.289
   69    H    GLY  10           H        GLY  10  -2.058  -0.499  10.585
   70   1HA   GLY  10          2HA       GLY  10  -2.136   2.156  11.665
   71   2HA   GLY  10          1HA       GLY  10  -3.549   1.790  10.695
   72    H    TYR  11           H        TYR  11  -0.068   0.937  10.493
   73    HA   TYR  11           HA       TYR  11   1.499   1.607   8.901
   74   1HB   TYR  11          1HB       TYR  11   0.189  -0.576   8.234
   75   2HB   TYR  11          2HB       TYR  11  -0.456   0.441   6.935
   76    HD1  TYR  11           HD1      TYR  11   2.966   0.354   8.469
   77    HD2  TYR  11           HD2      TYR  11   0.560  -0.297   4.970
   78    HE1  TYR  11           HE1      TYR  11   5.016  -0.053   7.135
   79    HE2  TYR  11           HE2      TYR  11   2.611  -0.704   3.636
   80    HH   TYR  11           HH       TYR  11   5.295   0.102   3.984
   81    H    GLU  12           H        GLU  12   0.692   1.984   5.956
   82    HA   GLU  12           HA       GLU  12  -1.045   3.887   5.450
   83   1HB   GLU  12          1HB       GLU  12   0.460   6.045   5.653
   84   2HB   GLU  12          2HB       GLU  12  -0.459   5.490   7.039
   85   1HG   GLU  12          1HG       GLU  12   1.430   5.087   8.237
   86   2HG   GLU  12          2HG       GLU  12   2.126   4.131   6.944
   87    H    TYR  13           H        TYR  13  -0.618   2.545   3.608
   88    HA   TYR  13           HA       TYR  13   1.871   2.573   2.203
   89   1HB   TYR  13          1HB       TYR  13   0.091   0.848   1.981
   90   2HB   TYR  13          2HB       TYR  13  -0.939   2.046   1.179
   91    HD1  TYR  13           HD1      TYR  13   2.489   0.531   0.892
   92    HD2  TYR  13           HD2      TYR  13  -0.933   2.150  -1.137
   93    HE1  TYR  13           HE1      TYR  13   3.506  -0.057  -1.292
   94    HE2  TYR  13           HE2      TYR  13   0.084   1.563  -3.321
   95    HH   TYR  13           HH       TYR  13   2.280   1.062  -4.321
   96    H    ASP  14           H        ASP  14   2.793   4.219   1.016
   97    HA   ASP  14           HA       ASP  14   0.942   6.297   0.161
   98   1HB   ASP  14          1HB       ASP  14   3.406   6.410   1.569
   99   2HB   ASP  14          2HB       ASP  14   3.788   6.971  -0.047
  100    HA   PRO  15           HA       PRO  15   1.701   4.260  -3.830
  101   1HB   PRO  15          1HB       PRO  15   0.172   6.765  -4.601
  102   2HB   PRO  15          2HB       PRO  15  -0.054   5.058  -5.103
  103   1HG   PRO  15          1HG       PRO  15  -1.404   6.212  -3.514
  104   2HG   PRO  15          2HG       PRO  15  -1.490   4.545  -2.857
  105   1HD   PRO  15          1HD       PRO  15  -0.191   6.926  -1.727
  106   2HD   PRO  15          2HD       PRO  15  -0.306   5.288  -1.017
  107    H    ALA  16           H        ALA  16   2.476   7.563  -2.710
  108    HA   ALA  16           HA       ALA  16   3.949   8.223  -5.068
  109   1HB   ALA  16          2HB       ALA  16   4.793  10.057  -3.393
  110   2HB   ALA  16          1HB       ALA  16   3.520   9.416  -2.327
  111   3HB   ALA  16          3HB       ALA  16   3.094  10.077  -3.924
  112    H    LYS  17           H        LYS  17   4.560   6.616  -1.954
  113    HA   LYS  17           HA       LYS  17   7.424   6.641  -2.491
  114   1HB   LYS  17          1HB       LYS  17   5.741   6.515  -0.118
  115   2HB   LYS  17          2HB       LYS  17   6.931   5.230  -0.125
  116   1HG   LYS  17          1HG       LYS  17   7.948   7.916  -0.961
  117   2HG   LYS  17          2HG       LYS  17   7.448   7.793   0.715
  118   1HD   LYS  17          1HD       LYS  17   9.509   6.911   1.111
  119   2HD   LYS  17          2HD       LYS  17   8.896   5.442   0.380
  120   1HE   LYS  17          1HE       LYS  17  10.429   5.655  -1.277
  121   2HE   LYS  17          2HE       LYS  17   9.634   7.127  -1.799
  122    H    GLY  18           H        GLY  18   4.681   4.345  -1.910
  123   1HA   GLY  18          2HA       GLY  18   5.839   2.483  -3.791
  124   2HA   GLY  18          1HA       GLY  18   4.314   2.344  -2.940
  125    H    ASP  19           H        ASP  19   7.306   0.937  -3.249
  126    HA   ASP  19           HA       ASP  19   7.840   0.452  -0.507
  127   1HB   ASP  19          1HB       ASP  19   6.045  -1.321  -1.974
  128   2HB   ASP  19          2HB       ASP  19   7.505  -2.190  -1.542
  129    HA   PRO  20           HA       PRO  20  11.328  -0.021  -3.507
  130   1HB   PRO  20          1HB       PRO  20  13.087   1.579  -2.176
  131   2HB   PRO  20          2HB       PRO  20  11.756   2.257  -3.169
  132   1HG   PRO  20          1HG       PRO  20  11.877   1.862  -0.311
  133   2HG   PRO  20          2HG       PRO  20  11.286   3.341  -1.136
  134   1HD   PRO  20          1HD       PRO  20   9.585   1.433  -0.123
  135   2HD   PRO  20          2HD       PRO  20   9.207   2.317  -1.632
  136    H    ASP  21           H        ASP  21  13.937  -0.189  -2.385
  137    HA   ASP  21           HA       ASP  21  15.242  -1.361  -1.067
  138   1HB   ASP  21          1HB       ASP  21  12.890  -2.659   0.349
  139   2HB   ASP  21          2HB       ASP  21  14.514  -2.416   0.959
  140    H    SER  22           H        SER  22  13.592  -2.230  -3.536
  141    HA   SER  22           HA       SER  22  13.760  -3.959  -4.881
  142   1HB   SER  22          1HB       SER  22  15.612  -4.735  -2.990
  143   2HB   SER  22          2HB       SER  22  14.462  -6.052  -2.884
  144    HG   SER  22           HG       SER  22  14.661  -5.933  -5.413
  145    H    GLY  23           H        GLY  23  11.480  -3.935  -5.156
  146   1HA   GLY  23          2HA       GLY  23   9.744  -5.188  -3.236
  147   2HA   GLY  23          1HA       GLY  23  10.020  -6.175  -4.657
  148    H    ILE  24           H        ILE  24   9.521  -2.624  -4.007
  149    HA   ILE  24           HA       ILE  24   7.663  -2.620  -6.272
  150    HB   ILE  24           HB       ILE  24   7.145  -1.200  -3.663
  151   1HG1  ILE  24          1HG1      ILE  24   7.113  -3.663  -3.353
  152   2HG1  ILE  24          2HG1      ILE  24   5.556  -2.903  -3.091
  153   1HG2  ILE  24          1HG2      ILE  24   5.597  -1.555  -6.227
  154   2HG2  ILE  24          2HG2      ILE  24   4.798  -1.146  -4.690
  155   3HG2  ILE  24          3HG2      ILE  24   6.027  -0.054  -5.371
  156   1HD1  ILE  24          1HD1      ILE  24   6.012  -3.738  -5.903
  157   2HD1  ILE  24          2HD1      ILE  24   5.980  -5.080  -4.734
  158   3HD1  ILE  24          3HD1      ILE  24   4.589  -3.977  -4.862
  159    H    LYS  25           H        LYS  25   7.625  -0.676  -7.487
  160    HA   LYS  25           HA       LYS  25  10.020   0.918  -7.076
  161   1HB   LYS  25          1HB       LYS  25   8.403   0.064  -9.355
  162   2HB   LYS  25          2HB       LYS  25   8.749   1.781  -9.402
  163   1HG   LYS  25          1HG       LYS  25  10.677   0.974 -10.422
  164   2HG   LYS  25          2HG       LYS  25  11.219   0.993  -8.756
  165   1HD   LYS  25          1HD       LYS  25   9.822  -1.494  -9.722
  166   2HD   LYS  25          2HD       LYS  25  11.442  -1.201 -10.323
  167   1HE   LYS  25          1HE       LYS  25  11.876  -0.691  -7.682
  168   2HE   LYS  25          2HE       LYS  25  10.532  -1.804  -7.524
  169    HA   PRO  26           HA       PRO  26   8.085   4.384  -5.293
  170   1HB   PRO  26          1HB       PRO  26   9.482   6.424  -6.542
  171   2HB   PRO  26          2HB       PRO  26  10.184   5.360  -5.280
  172   1HG   PRO  26          1HG       PRO  26  10.284   5.154  -8.129
  173   2HG   PRO  26          2HG       PRO  26  11.788   4.983  -7.166
  174   1HD   PRO  26          1HD       PRO  26  10.652   2.760  -8.009
  175   2HD   PRO  26          2HD       PRO  26  10.980   2.857  -6.252
  176    H    GLY  27           H        GLY  27   5.946   4.834  -5.851
  177   1HA   GLY  27          2HA       GLY  27   5.524   6.235  -8.391
  178   2HA   GLY  27          1HA       GLY  27   4.447   6.193  -7.009
  179    H    THR  28           H        THR  28   3.837   3.696  -6.395
  180    HA   THR  28           HA       THR  28   2.974   2.485  -8.940
  181    HB   THR  28           HB       THR  28   3.803   1.124  -6.321
  182    HG1  THR  28           HG1      THR  28   5.630   1.865  -7.509
  183   1HG2  THR  28          1HG2      THR  28   2.088   0.100  -8.246
  184   2HG2  THR  28          2HG2      THR  28   3.676  -0.369  -8.899
  185   3HG2  THR  28          3HG2      THR  28   3.195  -0.892  -7.267
  186    H    LYS  29           H        LYS  29   0.851   1.901  -9.161
  187    HA   LYS  29           HA       LYS  29  -0.944   3.145  -7.335
  188   1HB   LYS  29          1HB       LYS  29  -1.250   1.529  -9.864
  189   2HB   LYS  29          2HB       LYS  29  -2.644   1.972  -8.899
  190   1HG   LYS  29          1HG       LYS  29  -2.510   4.195  -9.476
  191   2HG   LYS  29          2HG       LYS  29  -0.759   4.220  -9.392
  192   1HD   LYS  29          1HD       LYS  29  -0.502   3.685 -11.620
  193   2HD   LYS  29          2HD       LYS  29  -1.864   2.582 -11.625
  194   1HE   LYS  29          1HE       LYS  29  -3.088   4.186 -12.663
  195   2HE   LYS  29          2HE       LYS  29  -3.019   5.134 -11.191
  196    H    PHE  30           H        PHE  30  -2.562   2.116  -6.021
  197    HA   PHE  30           HA       PHE  30  -1.555  -0.205  -4.728
  198   1HB   PHE  30          1HB       PHE  30  -2.808   1.745  -3.669
  199   2HB   PHE  30          2HB       PHE  30  -4.231   1.311  -4.594
  200    HD1  PHE  30           HD1      PHE  30  -1.963   0.147  -1.914
  201    HD2  PHE  30           HD2      PHE  30  -5.714  -0.364  -3.831
  202    HE1  PHE  30           HE1      PHE  30  -2.701  -1.379  -0.063
  203    HE2  PHE  30           HE2      PHE  30  -6.452  -1.890  -1.979
  204    HZ   PHE  30           HZ       PHE  30  -4.937  -2.379  -0.117
  205    H    GLU  31           H        GLU  31  -3.116   0.115  -7.653
  206    HA   GLU  31           HA       GLU  31  -4.702  -2.287  -7.222
  207   1HB   GLU  31          1HB       GLU  31  -5.392   0.095  -8.453
  208   2HB   GLU  31          2HB       GLU  31  -4.939  -0.888  -9.830
  209   1HG   GLU  31          1HG       GLU  31  -6.877  -2.055  -9.694
  210   2HG   GLU  31          2HG       GLU  31  -6.521  -2.522  -8.043
  211    H    ASP  32           H        ASP  32  -1.807  -1.001  -8.682
  212    HA   ASP  32           HA       ASP  32  -1.641  -3.140 -10.587
  213   1HB   ASP  32          1HB       ASP  32   0.323  -0.934  -9.805
  214   2HB   ASP  32          2HB       ASP  32   0.601  -2.078 -11.104
  215    H    LEU  33           H        LEU  33  -1.105  -2.692  -7.272
  216    HA   LEU  33           HA       LEU  33   1.355  -3.665  -6.679
  217   1HB   LEU  33          1HB       LEU  33  -1.324  -3.981  -5.359
  218   2HB   LEU  33          2HB       LEU  33   0.107  -4.723  -4.671
  219    HG   LEU  33           HG       LEU  33  -0.024  -1.769  -5.297
  220   1HD1  LEU  33          1HD1      LEU  33  -1.887  -2.344  -3.791
  221   2HD1  LEU  33          2HD1      LEU  33  -0.731  -3.091  -2.663
  222   3HD1  LEU  33          3HD1      LEU  33  -0.651  -1.344  -2.992
  223   1HD2  LEU  33          1HD2      LEU  33   1.838  -3.554  -3.759
  224   2HD2  LEU  33          2HD2      LEU  33   2.201  -2.308  -4.976
  225   3HD2  LEU  33          3HD2      LEU  33   1.689  -1.831  -3.339
  226    HA   PRO  34           HA       PRO  34   2.066  -7.672  -8.175
  227   1HB   PRO  34          1HB       PRO  34   2.688  -8.382  -5.295
  228   2HB   PRO  34          2HB       PRO  34   3.651  -8.615  -6.791
  229   1HG   PRO  34          1HG       PRO  34   4.232  -6.581  -5.036
  230   2HG   PRO  34          2HG       PRO  34   4.368  -6.628  -6.824
  231   1HD   PRO  34          1HD       PRO  34   2.288  -5.302  -5.037
  232   2HD   PRO  34          2HD       PRO  34   2.993  -4.720  -6.576
  233    H    ASP  35           H        ASP  35  -0.207  -6.986  -5.548
  234    HA   ASP  35           HA       ASP  35  -2.237  -7.866  -5.366
  235   1HB   ASP  35          1HB       ASP  35  -1.359 -10.456  -6.693
  236   2HB   ASP  35          2HB       ASP  35  -2.988  -9.834  -6.523
  237    H    ASP  36           H        ASP  36   0.575 -10.155  -5.223
  238    HA   ASP  36           HA       ASP  36  -0.515 -11.627  -3.083
  239   1HB   ASP  36          1HB       ASP  36   1.212 -12.447  -4.761
  240   2HB   ASP  36          2HB       ASP  36   2.393 -11.405  -3.993
  241    H    TRP  37           H        TRP  37   0.641  -8.483  -3.290
  242    HA   TRP  37           HA       TRP  37   2.390  -8.333  -1.081
  243   1HB   TRP  37          1HB       TRP  37   2.279  -6.675  -2.898
  244   2HB   TRP  37          2HB       TRP  37   0.682  -6.193  -2.364
  245    HD1  TRP  37           HD1      TRP  37   4.375  -5.791  -1.423
  246    HE1  TRP  37           HE1      TRP  37   4.708  -3.945   0.433
  247    HE3  TRP  37           HE3      TRP  37  -0.569  -5.172  -0.407
  248    HZ2  TRP  37           HZ2      TRP  37   2.907  -2.466   2.081
  249    HZ3  TRP  37           HZ3      TRP  37  -1.196  -3.508   1.339
  250    HH2  TRP  37           HH2      TRP  37   0.449  -2.179   2.566
  251    H    ALA  38           H        ALA  38   1.948  -7.878   1.110
  252    HA   ALA  38           HA       ALA  38  -0.832  -7.492   1.867
  253   1HB   ALA  38          1HB       ALA  38   0.291 -10.047   1.862
  254   2HB   ALA  38          2HB       ALA  38   0.479  -9.507   3.548
  255   3HB   ALA  38          3HB       ALA  38  -1.134  -9.527   2.794
  256    H    CYS  39           H        CYS  39  -1.036  -6.666   4.080
  257    HA   CYS  39           HA       CYS  39   0.685  -4.693   4.694
  258   1HB   CYS  39          1HB       CYS  39  -1.532  -4.977   5.689
  259   2HB   CYS  39          2HB       CYS  39  -0.953  -6.329   6.641
  260    HA   PRO  40           HA       PRO  40   4.239  -7.302   5.707
  261   1HB   PRO  40          1HB       PRO  40   5.654  -4.688   5.561
  262   2HB   PRO  40          2HB       PRO  40   5.856  -6.174   4.577
  263   1HG   PRO  40          1HG       PRO  40   4.651  -3.891   3.378
  264   2HG   PRO  40          2HG       PRO  40   4.426  -5.658   3.167
  265   1HD   PRO  40          1HD       PRO  40   2.865  -3.707   4.966
  266   2HD   PRO  40          2HD       PRO  40   2.217  -4.770   3.680
  267    H    VAL  41           H        VAL  41   2.482  -4.913   7.411
  268    HA   VAL  41           HA       VAL  41   4.418  -4.706   9.558
  269    HB   VAL  41           HB       VAL  41   1.607  -3.621   9.291
  270   1HG1  VAL  41          1HG1      VAL  41   2.760  -3.883  11.620
  271   2HG1  VAL  41          2HG1      VAL  41   3.748  -2.501  11.089
  272   3HG1  VAL  41          3HG1      VAL  41   1.978  -2.341  11.196
  273   1HG2  VAL  41          1HG2      VAL  41   4.120  -2.796   8.071
  274   2HG2  VAL  41          2HG2      VAL  41   2.463  -2.220   7.772
  275   3HG2  VAL  41          3HG2      VAL  41   3.427  -1.511   9.089
  276    H    CYS  42           H        CYS  42   0.889  -5.576   9.408
  277    HA   CYS  42           HA       CYS  42   1.378  -7.374  11.637
  278   1HB   CYS  42          1HB       CYS  42  -1.045  -7.453  11.866
  279   2HB   CYS  42          2HB       CYS  42  -0.435  -5.811  11.920
  280    H    GLY  43           H        GLY  43   0.083  -7.228   8.263
  281   1HA   GLY  43          2HA       GLY  43   0.089 -10.179   8.182
  282   2HA   GLY  43          1HA       GLY  43   0.953  -9.241   6.980
  283    H    ALA  44           H        ALA  44  -2.128  -8.186   8.478
  284    HA   ALA  44           HA       ALA  44  -4.122  -9.109   7.143
  285   1HB   ALA  44          1HB       ALA  44  -3.843  -6.881   8.505
  286   2HB   ALA  44          2HB       ALA  44  -3.734  -6.125   6.897
  287   3HB   ALA  44          3HB       ALA  44  -5.191  -7.040   7.354
  288    H    SER  45           H        SER  45  -4.859  -9.515   5.093
  289    HA   SER  45           HA       SER  45  -3.131  -9.466   2.994
  290   1HB   SER  45          1HB       SER  45  -5.541 -10.572   3.400
  291   2HB   SER  45          2HB       SER  45  -6.084  -9.198   2.457
  292    HG   SER  45           HG       SER  45  -3.947 -10.936   1.578
  293    H    LYS  46           H        LYS  46  -4.339  -8.302   0.746
  294    HA   LYS  46           HA       LYS  46  -3.783  -5.503   1.273
  295   1HB   LYS  46          1HB       LYS  46  -2.666  -6.765  -0.582
  296   2HB   LYS  46          2HB       LYS  46  -4.224  -6.929  -1.366
  297   1HG   LYS  46          1HG       LYS  46  -4.459  -4.515  -1.595
  298   2HG   LYS  46          2HG       LYS  46  -3.075  -4.221  -0.561
  299   1HD   LYS  46          1HD       LYS  46  -2.728  -4.062  -3.143
  300   2HD   LYS  46          2HD       LYS  46  -1.521  -4.917  -2.203
  301   1HE   LYS  46          1HE       LYS  46  -2.175  -6.195  -4.245
  302   2HE   LYS  46          2HE       LYS  46  -2.533  -7.089  -2.781
  303    H    ASP  47           H        ASP  47  -6.287  -6.896   2.237
  304    HA   ASP  47           HA       ASP  47  -8.160  -5.246   0.727
  305   1HB   ASP  47          1HB       ASP  47  -8.356  -7.899   0.839
  306   2HB   ASP  47          2HB       ASP  47  -9.006  -7.600   2.439
  307    H    ALA  48           H        ALA  48  -6.407  -5.630   3.596
  308    HA   ALA  48           HA       ALA  48  -8.515  -4.699   5.366
  309   1HB   ALA  48          2HB       ALA  48  -6.219  -4.749   6.851
  310   2HB   ALA  48          3HB       ALA  48  -7.289  -6.153   6.618
  311   3HB   ALA  48          1HB       ALA  48  -5.838  -5.961   5.605
  312    H    PHE  49           H        PHE  49  -7.367  -3.119   2.998
  313    HA   PHE  49           HA       PHE  49  -6.468  -0.818   4.586
  314   1HB   PHE  49          1HB       PHE  49  -5.756  -1.931   1.823
  315   2HB   PHE  49          2HB       PHE  49  -5.469  -0.239   2.180
  316    HD1  PHE  49           HD1      PHE  49  -4.459  -3.677   2.947
  317    HD2  PHE  49           HD2      PHE  49  -3.707   0.432   3.695
  318    HE1  PHE  49           HE1      PHE  49  -2.254  -4.270   3.988
  319    HE2  PHE  49           HE2      PHE  49  -1.501  -0.162   4.736
  320    HZ   PHE  49           HZ       PHE  49  -0.801  -2.506   4.870
  321    H    GLU  50           H        GLU  50  -7.232   1.286   3.904
  322    HA   GLU  50           HA       GLU  50  -9.156   1.365   1.799
  323   1HB   GLU  50          1HB       GLU  50 -10.786   0.697   3.334
  324   2HB   GLU  50          2HB       GLU  50  -9.967   1.432   4.697
  325   1HG   GLU  50          1HG       GLU  50 -10.765   3.596   4.194
  326   2HG   GLU  50          2HG       GLU  50 -11.016   3.226   2.500
  327    H    LYS  51           H        LYS  51  -9.214   3.416   0.879
  328    HA   LYS  51           HA       LYS  51  -7.263   5.205   1.266
  329   1HB   LYS  51          1HB       LYS  51  -8.696   6.845   0.140
  330   2HB   LYS  51          2HB       LYS  51  -8.794   5.268  -0.618
  331   1HG   LYS  51          1HG       LYS  51 -10.863   4.898   0.987
  332   2HG   LYS  51          2HG       LYS  51 -10.847   6.644   1.142
  333   1HD   LYS  51          1HD       LYS  51 -12.058   6.718  -0.778
  334   2HD   LYS  51          2HD       LYS  51 -10.593   6.260  -1.623
  335   1HE   LYS  51          1HE       LYS  51 -11.249   4.042  -1.867
  336   2HE   LYS  51          2HE       LYS  51 -12.139   4.021  -0.357
  337    H    GLN  52           H        GLN  52  -6.545   5.897   3.233
  338    HA   GLN  52           HA       GLN  52  -6.545   6.766   5.231
  339   1HB   GLN  52          1HB       GLN  52  -8.611   8.521   3.859
  340   2HB   GLN  52          2HB       GLN  52  -8.079   8.854   5.495
  341   1HG   GLN  52          1HG       GLN  52  -5.707   8.957   4.705
  342   2HG   GLN  52          2HG       GLN  52  -6.235   8.617   3.069
  343   2HE2  GLN  52          2HE2      GLN  52  -4.801  10.831   3.512
  344   1HE2  GLN  52          1HE2      GLN  52  -5.758  12.268   3.374

  No H/Q in entry =         344
  Start of MODEL   15
    1    H1   MET   1          1H        MET   1  -5.121  12.016  -4.859
    2    H2   MET   1          2H        MET   1  -5.622  13.475  -4.254
    3    H3   MET   1          3H        MET   1  -4.218  12.789  -3.705
    4    HA   MET   1           HA       MET   1  -5.302  12.014  -2.085
    5   1HB   MET   1          1HB       MET   1  -7.598  12.993  -3.772
    6   2HB   MET   1          2HB       MET   1  -8.011  11.818  -2.540
    7   1HG   MET   1          1HG       MET   1  -8.200  13.753  -1.267
    8   2HG   MET   1          2HG       MET   1  -6.504  13.411  -0.986
    9   1HE   MET   1          1HE       MET   1  -5.032  15.085  -0.909
   10   2HE   MET   1          2HE       MET   1  -4.465  14.716  -2.555
   11   3HE   MET   1          3HE       MET   1  -4.765  16.403  -2.075
   12    H    ASP   2           H        ASP   2  -4.658   9.892  -1.948
   13    HA   ASP   2           HA       ASP   2  -6.431   7.904  -2.727
   14   1HB   ASP   2          1HB       ASP   2  -5.505   8.362  -4.993
   15   2HB   ASP   2          2HB       ASP   2  -3.877   8.129  -4.388
   16    H    ILE   3           H        ILE   3  -5.645   8.069  -0.286
   17    HA   ILE   3           HA       ILE   3  -3.129   6.591   0.027
   18    HB   ILE   3           HB       ILE   3  -4.598   8.507   1.829
   19   1HG1  ILE   3          1HG1      ILE   3  -1.749   8.914   1.467
   20   2HG1  ILE   3          2HG1      ILE   3  -2.561   8.844  -0.084
   21   1HG2  ILE   3          1HG2      ILE   3  -3.890   6.606   3.186
   22   2HG2  ILE   3          2HG2      ILE   3  -2.237   6.742   2.538
   23   3HG2  ILE   3          3HG2      ILE   3  -2.910   8.048   3.543
   24   1HD1  ILE   3          1HD1      ILE   3  -3.608  10.540   2.221
   25   2HD1  ILE   3          2HD1      ILE   3  -2.454  11.157   1.014
   26   3HD1  ILE   3          3HD1      ILE   3  -4.074  10.624   0.505
   27    H    TYR   4           H        TYR   4  -3.061   4.783   1.334
   28    HA   TYR   4           HA       TYR   4  -5.692   3.678   2.175
   29   1HB   TYR   4          1HB       TYR   4  -3.516   2.375   0.522
   30   2HB   TYR   4          2HB       TYR   4  -4.729   1.435   1.408
   31    HD1  TYR   4           HD1      TYR   4  -4.281   3.993  -1.267
   32    HD2  TYR   4           HD2      TYR   4  -6.912   1.122   0.546
   33    HE1  TYR   4           HE1      TYR   4  -5.860   4.244  -3.162
   34    HE2  TYR   4           HE2      TYR   4  -8.492   1.373  -1.349
   35    HH   TYR   4           HH       TYR   4  -9.026   2.634  -3.222
   36    H    VAL   5           H        VAL   5  -5.671   3.037   4.314
   37    HA   VAL   5           HA       VAL   5  -3.015   2.449   5.430
   38    HB   VAL   5           HB       VAL   5  -4.132   4.639   6.094
   39   1HG1  VAL   5          1HG1      VAL   5  -6.014   2.672   7.420
   40   2HG1  VAL   5          2HG1      VAL   5  -5.805   4.343   7.998
   41   3HG1  VAL   5          3HG1      VAL   5  -6.411   4.040   6.352
   42   1HG2  VAL   5          1HG2      VAL   5  -3.013   2.542   7.895
   43   2HG2  VAL   5          2HG2      VAL   5  -2.405   4.170   7.508
   44   3HG2  VAL   5          3HG2      VAL   5  -3.743   3.972   8.664
   45    H    CYS   6           H        CYS   6  -2.904   0.725   6.971
   46    HA   CYS   6           HA       CYS   6  -4.807  -1.316   6.432
   47   1HB   CYS   6          1HB       CYS   6  -2.367  -1.703   6.740
   48   2HB   CYS   6          2HB       CYS   6  -2.541  -1.293   8.436
   49    H    THR   7           H        THR   7  -6.231  -2.322   8.026
   50    HA   THR   7           HA       THR   7  -6.956  -0.460  10.183
   51    HB   THR   7           HB       THR   7  -9.156  -1.866   9.986
   52    HG1  THR   7           HG1      THR   7  -8.027  -2.330   7.351
   53   1HG2  THR   7          1HG2      THR   7  -8.139  -0.170   7.648
   54   2HG2  THR   7          2HG2      THR   7  -9.820  -0.734   7.796
   55   3HG2  THR   7          3HG2      THR   7  -9.147   0.383   9.007
   56    H    VAL   8           H        VAL   8  -4.807  -2.747   9.982
   57    HA   VAL   8           HA       VAL   8  -5.801  -4.247  12.302
   58    HB   VAL   8           HB       VAL   8  -3.583  -4.923  10.360
   59   1HG1  VAL   8          1HG1      VAL   8  -3.328  -5.869  12.651
   60   2HG1  VAL   8          2HG1      VAL   8  -4.915  -6.654  12.469
   61   3HG1  VAL   8          3HG1      VAL   8  -3.568  -7.111  11.399
   62   1HG2  VAL   8          1HG2      VAL   8  -6.372  -5.056   9.960
   63   2HG2  VAL   8          2HG2      VAL   8  -5.092  -5.799   8.971
   64   3HG2  VAL   8          3HG2      VAL   8  -5.844  -6.723  10.293
   65    H    CYS   9           H        CYS   9  -2.981  -2.472  10.902
   66    HA   CYS   9           HA       CYS   9  -2.017  -2.175  13.654
   67   1HB   CYS   9          1HB       CYS   9   0.209  -1.661  12.385
   68   2HB   CYS   9          2HB       CYS   9  -0.280  -3.308  12.727
   69    H    GLY  10           H        GLY  10  -1.668  -0.609  10.378
   70   1HA   GLY  10          2HA       GLY  10  -2.052   2.005  11.701
   71   2HA   GLY  10          1HA       GLY  10  -2.935   1.572  10.250
   72    H    TYR  11           H        TYR  11  -1.382   0.539   8.492
   73    HA   TYR  11           HA       TYR  11   1.089   2.195   8.333
   74   1HB   TYR  11          1HB       TYR  11   1.636  -0.113   8.227
   75   2HB   TYR  11          2HB       TYR  11   0.283  -0.465   7.138
   76    HD1  TYR  11           HD1      TYR  11   3.438   1.566   7.298
   77    HD2  TYR  11           HD2      TYR  11   0.675  -0.636   4.853
   78    HE1  TYR  11           HE1      TYR  11   4.936   1.856   5.343
   79    HE2  TYR  11           HE2      TYR  11   2.173  -0.345   2.899
   80    HH   TYR  11           HH       TYR  11   5.392   0.727   3.115
   81    H    GLU  12           H        GLU  12   0.238   4.147   7.438
   82    HA   GLU  12           HA       GLU  12  -1.651   4.050   5.371
   83   1HB   GLU  12          1HB       GLU  12  -1.106   6.499   5.137
   84   2HB   GLU  12          2HB       GLU  12  -1.503   6.017   6.775
   85   1HG   GLU  12          1HG       GLU  12   1.266   5.609   6.664
   86   2HG   GLU  12          2HG       GLU  12   1.047   7.048   5.688
   87    H    TYR  13           H        TYR  13  -1.142   3.004   3.544
   88    HA   TYR  13           HA       TYR  13   1.474   2.850   2.418
   89   1HB   TYR  13          1HB       TYR  13  -0.307   1.208   2.004
   90   2HB   TYR  13          2HB       TYR  13  -1.264   2.443   1.168
   91    HD1  TYR  13           HD1      TYR  13   2.075   0.737   1.036
   92    HD2  TYR  13           HD2      TYR  13  -1.072   2.689  -1.141
   93    HE1  TYR  13           HE1      TYR  13   3.192   0.155  -1.101
   94    HE2  TYR  13           HE2      TYR  13   0.045   2.107  -3.277
   95    HH   TYR  13           HH       TYR  13   2.334   1.505  -4.122
   96    H    ASP  14           H        ASP  14   2.630   4.417   1.334
   97    HA   ASP  14           HA       ASP  14   1.042   6.610   0.277
   98   1HB   ASP  14          1HB       ASP  14   2.984   6.936   1.987
   99   2HB   ASP  14          2HB       ASP  14   4.062   6.556   0.659
  100    HA   PRO  15           HA       PRO  15   1.888   4.513  -3.648
  101   1HB   PRO  15          1HB       PRO  15   0.620   7.077  -4.609
  102   2HB   PRO  15          2HB       PRO  15   0.220   5.367  -4.972
  103   1HG   PRO  15          1HG       PRO  15  -1.267   6.868  -3.344
  104   2HG   PRO  15          2HG       PRO  15  -1.071   5.101  -3.105
  105   1HD   PRO  15          1HD       PRO  15   0.197   7.439  -1.648
  106   2HD   PRO  15          2HD       PRO  15  -0.242   5.819  -1.026
  107    H    ALA  16           H        ALA  16   2.736   7.856  -2.623
  108    HA   ALA  16           HA       ALA  16   4.452   8.289  -4.860
  109   1HB   ALA  16          3HB       ALA  16   5.050  10.324  -3.669
  110   2HB   ALA  16          1HB       ALA  16   3.291  10.082  -3.546
  111   3HB   ALA  16          2HB       ALA  16   4.342   9.696  -2.162
  112    H    LYS  17           H        LYS  17   4.649   6.622  -1.779
  113    HA   LYS  17           HA       LYS  17   7.564   6.621  -1.913
  114   1HB   LYS  17          1HB       LYS  17   6.009   7.023   0.215
  115   2HB   LYS  17          2HB       LYS  17   6.036   5.273   0.276
  116   1HG   LYS  17          1HG       LYS  17   8.079   5.374   1.248
  117   2HG   LYS  17          2HG       LYS  17   8.724   6.030  -0.244
  118   1HD   LYS  17          1HD       LYS  17   7.349   7.799   1.821
  119   2HD   LYS  17          2HD       LYS  17   9.060   7.432   1.915
  120   1HE   LYS  17          1HE       LYS  17   8.964   8.196  -0.687
  121   2HE   LYS  17          2HE       LYS  17   7.583   9.103  -0.104
  122    H    GLY  18           H        GLY  18   4.721   4.378  -1.795
  123   1HA   GLY  18          2HA       GLY  18   6.078   2.551  -3.569
  124   2HA   GLY  18          1HA       GLY  18   4.457   2.415  -2.919
  125    H    ASP  19           H        ASP  19   7.366   0.880  -2.945
  126    HA   ASP  19           HA       ASP  19   7.562   0.312  -0.159
  127   1HB   ASP  19          1HB       ASP  19   7.004  -2.064  -1.952
  128   2HB   ASP  19          2HB       ASP  19   6.900  -1.970  -0.206
  129    HA   PRO  20           HA       PRO  20  11.389  -0.096  -2.753
  130   1HB   PRO  20          1HB       PRO  20  12.965   1.514  -1.211
  131   2HB   PRO  20          2HB       PRO  20  11.775   2.180  -2.376
  132   1HG   PRO  20          1HG       PRO  20  11.538   1.752   0.479
  133   2HG   PRO  20          2HG       PRO  20  11.053   3.262  -0.360
  134   1HD   PRO  20          1HD       PRO  20   9.219   1.375   0.372
  135   2HD   PRO  20          2HD       PRO  20   9.065   2.244  -1.185
  136    H    ASP  21           H        ASP  21  10.851  -2.386  -1.639
  137    HA   ASP  21           HA       ASP  21  13.168  -3.181  -0.404
  138   1HB   ASP  21          1HB       ASP  21  11.876  -1.850   1.496
  139   2HB   ASP  21          2HB       ASP  21  10.880  -3.289   1.583
  140    H    SER  22           H        SER  22  11.983  -4.287  -2.512
  141    HA   SER  22           HA       SER  22  11.561  -6.860  -1.976
  142   1HB   SER  22          1HB       SER  22   9.194  -5.350  -1.214
  143   2HB   SER  22          2HB       SER  22   8.795  -6.436  -2.530
  144    HG   SER  22           HG       SER  22   8.958  -7.095   0.010
  145    H    GLY  23           H        GLY  23   9.717  -4.301  -3.805
  146   1HA   GLY  23          2HA       GLY  23   9.735  -5.811  -6.237
  147   2HA   GLY  23          1HA       GLY  23  10.967  -4.565  -6.229
  148    H    ILE  24           H        ILE  24   9.785  -2.476  -4.790
  149    HA   ILE  24           HA       ILE  24   7.628  -1.758  -6.627
  150    HB   ILE  24           HB       ILE  24   7.489  -1.173  -3.675
  151   1HG1  ILE  24          1HG1      ILE  24   7.445  -3.628  -4.061
  152   2HG1  ILE  24          2HG1      ILE  24   5.956  -2.992  -3.390
  153   1HG2  ILE  24          1HG2      ILE  24   6.162  -0.069  -5.848
  154   2HG2  ILE  24          2HG2      ILE  24   5.010  -1.262  -5.201
  155   3HG2  ILE  24          3HG2      ILE  24   5.663   0.011  -4.141
  156   1HD1  ILE  24          1HD1      ILE  24   5.959  -2.967  -6.343
  157   2HD1  ILE  24          2HD1      ILE  24   6.150  -4.598  -5.655
  158   3HD1  ILE  24          3HD1      ILE  24   4.740  -3.606  -5.214
  159    H    LYS  25           H        LYS  25   8.042   0.153  -7.606
  160    HA   LYS  25           HA       LYS  25  10.186   1.765  -6.441
  161   1HB   LYS  25          1HB       LYS  25   9.509   0.930  -9.115
  162   2HB   LYS  25          2HB       LYS  25   9.499   2.681  -9.035
  163   1HG   LYS  25          1HG       LYS  25  11.764   2.364  -9.402
  164   2HG   LYS  25          2HG       LYS  25  11.770   2.292  -7.651
  165   1HD   LYS  25          1HD       LYS  25  12.195   0.022  -7.602
  166   2HD   LYS  25          2HD       LYS  25  11.201  -0.306  -9.009
  167   1HE   LYS  25          1HE       LYS  25  13.364   1.264  -9.982
  168   2HE   LYS  25          2HE       LYS  25  14.091   0.134  -8.857
  169    HA   PRO  26           HA       PRO  26   7.686   4.948  -4.876
  170   1HB   PRO  26          1HB       PRO  26   9.494   6.759  -6.505
  171   2HB   PRO  26          2HB       PRO  26   9.033   6.821  -4.773
  172   1HG   PRO  26          1HG       PRO  26  11.481   5.839  -5.561
  173   2HG   PRO  26          2HG       PRO  26  10.436   5.349  -4.188
  174   1HD   PRO  26          1HD       PRO  26  10.950   3.991  -6.860
  175   2HD   PRO  26          2HD       PRO  26  10.662   3.257  -5.253
  176    H    GLY  27           H        GLY  27   5.632   5.421  -5.652
  177   1HA   GLY  27          2HA       GLY  27   5.430   6.627  -8.310
  178   2HA   GLY  27          1HA       GLY  27   4.204   6.592  -7.058
  179    H    THR  28           H        THR  28   3.688   4.080  -6.370
  180    HA   THR  28           HA       THR  28   3.065   2.761  -8.926
  181    HB   THR  28           HB       THR  28   3.962   1.448  -6.306
  182    HG1  THR  28           HG1      THR  28   5.730   2.438  -7.418
  183   1HG2  THR  28          1HG2      THR  28   2.989   0.431  -8.978
  184   2HG2  THR  28          2HG2      THR  28   4.361  -0.414  -8.222
  185   3HG2  THR  28          3HG2      THR  28   2.806  -0.296  -7.364
  186    H    LYS  29           H        LYS  29   0.950   2.572  -9.279
  187    HA   LYS  29           HA       LYS  29  -0.943   3.444  -7.472
  188   1HB   LYS  29          1HB       LYS  29  -0.940   1.964 -10.050
  189   2HB   LYS  29          2HB       LYS  29  -2.398   1.833  -9.088
  190   1HG   LYS  29          1HG       LYS  29  -3.002   3.845  -9.957
  191   2HG   LYS  29          2HG       LYS  29  -1.800   4.555  -8.898
  192   1HD   LYS  29          1HD       LYS  29  -0.414   5.061 -10.635
  193   2HD   LYS  29          2HD       LYS  29  -0.557   3.455 -11.323
  194   1HE   LYS  29          1HE       LYS  29  -3.004   5.142 -11.592
  195   2HE   LYS  29          2HE       LYS  29  -1.607   5.740 -12.464
  196    H    PHE  30           H        PHE  30  -2.514   2.333  -6.161
  197    HA   PHE  30           HA       PHE  30  -1.355   0.134  -4.775
  198   1HB   PHE  30          1HB       PHE  30  -2.770   2.053  -3.826
  199   2HB   PHE  30          2HB       PHE  30  -4.150   1.424  -4.705
  200    HD1  PHE  30           HD1      PHE  30  -1.714   0.577  -2.038
  201    HD2  PHE  30           HD2      PHE  30  -5.492  -0.265  -3.777
  202    HE1  PHE  30           HE1      PHE  30  -2.281  -0.901  -0.090
  203    HE2  PHE  30           HE2      PHE  30  -6.059  -1.743  -1.829
  204    HZ   PHE  30           HZ       PHE  30  -4.446  -2.043  -0.009
  205    H    GLU  31           H        GLU  31  -3.094   0.349  -7.675
  206    HA   GLU  31           HA       GLU  31  -4.471  -2.157  -7.199
  207   1HB   GLU  31          1HB       GLU  31  -5.798  -1.660  -9.112
  208   2HB   GLU  31          2HB       GLU  31  -5.614  -0.128  -8.281
  209   1HG   GLU  31          1HG       GLU  31  -3.791   0.534  -9.817
  210   2HG   GLU  31          2HG       GLU  31  -3.843  -1.033 -10.601
  211    H    ASP  32           H        ASP  32  -1.620  -0.784  -8.676
  212    HA   ASP  32           HA       ASP  32  -1.314  -2.953 -10.515
  213   1HB   ASP  32          1HB       ASP  32   0.631  -0.752  -9.673
  214   2HB   ASP  32          2HB       ASP  32   0.874  -1.846 -11.020
  215    H    LEU  33           H        LEU  33  -1.092  -2.686  -7.218
  216    HA   LEU  33           HA       LEU  33   1.464  -3.626  -6.598
  217   1HB   LEU  33          1HB       LEU  33  -1.189  -3.760  -5.173
  218   2HB   LEU  33          2HB       LEU  33   0.289  -4.392  -4.475
  219    HG   LEU  33           HG       LEU  33   0.046  -1.524  -5.400
  220   1HD1  LEU  33          1HD1      LEU  33  -1.722  -2.095  -3.714
  221   2HD1  LEU  33          2HD1      LEU  33  -0.417  -2.502  -2.574
  222   3HD1  LEU  33          3HD1      LEU  33  -0.567  -0.842  -3.198
  223   1HD2  LEU  33          1HD2      LEU  33   2.171  -3.141  -4.318
  224   2HD2  LEU  33          2HD2      LEU  33   2.209  -1.464  -4.917
  225   3HD2  LEU  33          3HD2      LEU  33   1.801  -1.793  -3.216
  226    HA   PRO  34           HA       PRO  34   1.871  -7.725  -7.959
  227   1HB   PRO  34          1HB       PRO  34   2.556  -8.291  -5.055
  228   2HB   PRO  34          2HB       PRO  34   3.423  -8.723  -6.565
  229   1HG   PRO  34          1HG       PRO  34   4.241  -6.586  -5.010
  230   2HG   PRO  34          2HG       PRO  34   4.304  -6.814  -6.788
  231   1HD   PRO  34          1HD       PRO  34   2.463  -5.106  -5.083
  232   2HD   PRO  34          2HD       PRO  34   3.086  -4.801  -6.733
  233    H    ASP  35           H        ASP  35   0.986 -10.010  -7.462
  234    HA   ASP  35           HA       ASP  35  -1.651  -9.633  -6.335
  235   1HB   ASP  35          1HB       ASP  35  -0.808 -10.873  -8.639
  236   2HB   ASP  35          2HB       ASP  35  -0.860 -12.249  -7.554
  237    H    ASP  36           H        ASP  36   1.029 -10.005  -4.822
  238    HA   ASP  36           HA       ASP  36   0.055 -12.137  -3.138
  239   1HB   ASP  36          1HB       ASP  36   2.434 -13.009  -2.903
  240   2HB   ASP  36          2HB       ASP  36   1.679 -13.336  -4.450
  241    H    TRP  37           H        TRP  37   0.456  -9.042  -3.292
  242    HA   TRP  37           HA       TRP  37   2.469  -8.556  -1.283
  243   1HB   TRP  37          1HB       TRP  37   2.085  -7.041  -3.211
  244   2HB   TRP  37          2HB       TRP  37   0.496  -6.663  -2.573
  245    HD1  TRP  37           HD1      TRP  37   4.214  -5.957  -1.896
  246    HE1  TRP  37           HE1      TRP  37   4.521  -3.970  -0.187
  247    HE3  TRP  37           HE3      TRP  37  -0.702  -5.570  -0.655
  248    HZ2  TRP  37           HZ2      TRP  37   2.715  -2.493   1.455
  249    HZ3  TRP  37           HZ3      TRP  37  -1.345  -3.829   1.009
  250    HH2  TRP  37           HH2      TRP  37   0.271  -2.322   2.053
  251    H    ALA  38           H        ALA  38   2.033  -7.940   0.886
  252    HA   ALA  38           HA       ALA  38  -0.737  -7.809   1.724
  253   1HB   ALA  38          1HB       ALA  38   0.616 -10.257   1.806
  254   2HB   ALA  38          2HB       ALA  38   0.773  -9.619   3.460
  255   3HB   ALA  38          3HB       ALA  38  -0.840  -9.822   2.734
  256    H    CYS  39           H        CYS  39  -0.950  -6.873   3.884
  257    HA   CYS  39           HA       CYS  39   0.587  -4.737   4.359
  258   1HB   CYS  39          1HB       CYS  39  -1.536  -5.209   5.480
  259   2HB   CYS  39          2HB       CYS  39  -0.772  -6.454   6.447
  260    HA   PRO  40           HA       PRO  40   4.436  -6.944   5.273
  261   1HB   PRO  40          1HB       PRO  40   5.579  -4.223   4.890
  262   2HB   PRO  40          2HB       PRO  40   5.867  -5.742   3.981
  263   1HG   PRO  40          1HG       PRO  40   4.381  -3.656   2.739
  264   2HG   PRO  40          2HG       PRO  40   4.318  -5.446   2.636
  265   1HD   PRO  40          1HD       PRO  40   2.675  -3.547   4.417
  266   2HD   PRO  40          2HD       PRO  40   2.065  -4.745   3.235
  267    H    VAL  41           H        VAL  41   2.557  -4.618   6.941
  268    HA   VAL  41           HA       VAL  41   4.578  -4.080   8.942
  269    HB   VAL  41           HB       VAL  41   1.649  -3.337   8.797
  270   1HG1  VAL  41          1HG1      VAL  41   2.693  -3.317  11.083
  271   2HG1  VAL  41          2HG1      VAL  41   3.845  -2.099  10.485
  272   3HG1  VAL  41          3HG1      VAL  41   2.104  -1.732  10.525
  273   1HG2  VAL  41          1HG2      VAL  41   3.889  -2.377   7.289
  274   2HG2  VAL  41          2HG2      VAL  41   2.199  -1.817   7.262
  275   3HG2  VAL  41          3HG2      VAL  41   3.359  -1.093   8.402
  276    H    CYS  42           H        CYS  42   1.186  -5.395   9.040
  277    HA   CYS  42           HA       CYS  42   2.038  -6.998  11.320
  278   1HB   CYS  42          1HB       CYS  42  -0.341  -7.297  11.773
  279   2HB   CYS  42          2HB       CYS  42   0.119  -5.606  11.732
  280    H    GLY  43           H        GLY  43   0.479  -7.111   8.063
  281   1HA   GLY  43          2HA       GLY  43   0.710 -10.053   8.097
  282   2HA   GLY  43          1HA       GLY  43   1.423  -9.110   6.803
  283    H    ALA  44           H        ALA  44  -1.624  -8.202   8.456
  284    HA   ALA  44           HA       ALA  44  -3.605  -9.359   7.242
  285   1HB   ALA  44          1HB       ALA  44  -3.398  -7.074   8.593
  286   2HB   ALA  44          2HB       ALA  44  -3.604  -6.367   6.972
  287   3HB   ALA  44          3HB       ALA  44  -4.851  -7.450   7.636
  288    H    SER  45           H        SER  45  -4.536  -9.686   5.231
  289    HA   SER  45           HA       SER  45  -2.924  -9.523   3.030
  290   1HB   SER  45          1HB       SER  45  -5.678 -10.269   3.639
  291   2HB   SER  45          2HB       SER  45  -5.604  -9.463   2.085
  292    HG   SER  45           HG       SER  45  -3.559 -11.352   2.499
  293    H    LYS  46           H        LYS  46  -4.436  -8.392   0.909
  294    HA   LYS  46           HA       LYS  46  -3.939  -5.581   1.431
  295   1HB   LYS  46          1HB       LYS  46  -3.009  -6.838  -0.568
  296   2HB   LYS  46          2HB       LYS  46  -4.644  -6.914  -1.194
  297   1HG   LYS  46          1HG       LYS  46  -4.801  -4.424  -1.117
  298   2HG   LYS  46          2HG       LYS  46  -3.180  -4.334  -0.459
  299   1HD   LYS  46          1HD       LYS  46  -2.515  -4.148  -2.636
  300   2HD   LYS  46          2HD       LYS  46  -2.734  -5.885  -2.697
  301   1HE   LYS  46          1HE       LYS  46  -5.177  -4.186  -3.149
  302   2HE   LYS  46          2HE       LYS  46  -3.975  -4.204  -4.423
  303    H    ASP  47           H        ASP  47  -6.269  -7.098   2.621
  304    HA   ASP  47           HA       ASP  47  -8.364  -5.530   1.335
  305   1HB   ASP  47          1HB       ASP  47  -8.366  -8.227   1.588
  306   2HB   ASP  47          2HB       ASP  47  -9.012  -7.830   3.168
  307    H    ALA  48           H        ALA  48  -6.292  -5.816   3.999
  308    HA   ALA  48           HA       ALA  48  -8.214  -4.999   6.006
  309   1HB   ALA  48          2HB       ALA  48  -6.132  -5.012   7.452
  310   2HB   ALA  48          3HB       ALA  48  -6.524  -6.573   6.690
  311   3HB   ALA  48          1HB       ALA  48  -5.225  -5.556   6.021
  312    H    PHE  49           H        PHE  49  -7.213  -3.429   3.430
  313    HA   PHE  49           HA       PHE  49  -6.450  -1.004   4.898
  314   1HB   PHE  49          1HB       PHE  49  -5.988  -2.096   2.070
  315   2HB   PHE  49          2HB       PHE  49  -5.751  -0.394   2.411
  316    HD1  PHE  49           HD1      PHE  49  -4.508  -3.784   3.092
  317    HD2  PHE  49           HD2      PHE  49  -3.839   0.369   3.651
  318    HE1  PHE  49           HE1      PHE  49  -2.170  -4.265   3.868
  319    HE2  PHE  49           HE2      PHE  49  -1.501  -0.112   4.428
  320    HZ   PHE  49           HZ       PHE  49  -0.695  -2.424   4.527
  321    H    GLU  50           H        GLU  50  -7.431   1.028   4.245
  322    HA   GLU  50           HA       GLU  50  -9.696   0.792   2.480
  323   1HB   GLU  50          1HB       GLU  50 -11.169   1.974   4.194
  324   2HB   GLU  50          2HB       GLU  50 -10.803   0.297   4.546
  325   1HG   GLU  50          1HG       GLU  50  -9.180   0.881   6.217
  326   2HG   GLU  50          2HG       GLU  50  -9.077   2.539   5.661
  327    H    LYS  51           H        LYS  51  -9.712   2.542   1.129
  328    HA   LYS  51           HA       LYS  51  -7.834   4.446   1.043
  329   1HB   LYS  51          1HB       LYS  51  -9.868   3.858  -0.521
  330   2HB   LYS  51          2HB       LYS  51 -10.649   5.190   0.306
  331   1HG   LYS  51          1HG       LYS  51  -7.865   5.786  -0.545
  332   2HG   LYS  51          2HG       LYS  51  -8.949   5.440  -1.878
  333   1HD   LYS  51          1HD       LYS  51 -10.087   7.251   0.199
  334   2HD   LYS  51          2HD       LYS  51  -8.706   7.906  -0.657
  335   1HE   LYS  51          1HE       LYS  51 -10.971   6.605  -2.204
  336   2HE   LYS  51          2HE       LYS  51 -11.128   8.259  -1.648
  337    H    GLN  52           H        GLN  52  -7.086   5.492   2.848
  338    HA   GLN  52           HA       GLN  52  -8.500   7.681   3.750
  339   1HB   GLN  52          1HB       GLN  52  -9.724   5.630   4.897
  340   2HB   GLN  52          2HB       GLN  52  -8.344   5.641   5.977
  341   1HG   GLN  52          1HG       GLN  52  -9.072   7.511   7.059
  342   2HG   GLN  52          2HG       GLN  52  -9.386   8.357   5.557
  343   2HE2  GLN  52          2HE2      GLN  52 -11.390   8.914   5.243
  344   1HE2  GLN  52          1HE2      GLN  52 -12.814   8.101   5.802

  No H/Q in entry =         344
  Start of MODEL   16
    1    H1   MET   1          1H        MET   1  -1.711   9.903  -3.128
    2    H2   MET   1          2H        MET   1  -1.457  11.186  -4.143
    3    H3   MET   1          3H        MET   1  -2.624  11.275  -2.972
    4    HA   MET   1           HA       MET   1  -3.855  10.917  -4.728
    5   1HB   MET   1          1HB       MET   1  -1.396  10.061  -5.840
    6   2HB   MET   1          2HB       MET   1  -2.408   8.634  -5.949
    7   1HG   MET   1          1HG       MET   1  -3.300   9.552  -7.832
    8   2HG   MET   1          2HG       MET   1  -4.131  10.683  -6.784
    9   1HE   MET   1          1HE       MET   1  -2.984  10.742  -9.799
   10   2HE   MET   1          2HE       MET   1  -1.683  11.928 -10.066
   11   3HE   MET   1          3HE       MET   1  -1.290  10.291  -9.488
   12    H    ASP   2           H        ASP   2  -5.318  10.082  -3.169
   13    HA   ASP   2           HA       ASP   2  -6.544   8.601  -2.170
   14   1HB   ASP   2          1HB       ASP   2  -5.394   6.596  -4.168
   15   2HB   ASP   2          2HB       ASP   2  -6.851   6.363  -3.223
   16    H    ILE   3           H        ILE   3  -5.491   8.452  -0.117
   17    HA   ILE   3           HA       ILE   3  -3.169   6.754   0.133
   18    HB   ILE   3           HB       ILE   3  -4.693   8.494   2.069
   19   1HG1  ILE   3          1HG1      ILE   3  -1.849   8.972   1.330
   20   2HG1  ILE   3          2HG1      ILE   3  -3.047   9.300   0.095
   21   1HG2  ILE   3          1HG2      ILE   3  -2.373   6.627   2.518
   22   2HG2  ILE   3          2HG2      ILE   3  -2.608   8.078   3.521
   23   3HG2  ILE   3          3HG2      ILE   3  -3.867   6.820   3.466
   24   1HD1  ILE   3          1HD1      ILE   3  -4.337  10.634   1.897
   25   2HD1  ILE   3          2HD1      ILE   3  -2.856  10.514   2.878
   26   3HD1  ILE   3          3HD1      ILE   3  -2.818  11.349   1.306
   27    H    TYR   4           H        TYR   4  -3.049   4.938   1.477
   28    HA   TYR   4           HA       TYR   4  -5.645   3.717   2.244
   29   1HB   TYR   4          1HB       TYR   4  -3.448   2.484   0.556
   30   2HB   TYR   4          2HB       TYR   4  -4.716   1.538   1.353
   31    HD1  TYR   4           HD1      TYR   4  -4.019   4.057  -1.274
   32    HD2  TYR   4           HD2      TYR   4  -6.960   1.476   0.498
   33    HE1  TYR   4           HE1      TYR   4  -5.523   4.442  -3.208
   34    HE2  TYR   4           HE2      TYR   4  -8.463   1.861  -1.436
   35    HH   TYR   4           HH       TYR   4  -7.461   3.345  -4.355
   36    H    VAL   5           H        VAL   5  -5.582   2.915   4.333
   37    HA   VAL   5           HA       VAL   5  -2.903   2.321   5.381
   38    HB   VAL   5           HB       VAL   5  -3.953   4.508   6.138
   39   1HG1  VAL   5          1HG1      VAL   5  -5.866   2.549   7.428
   40   2HG1  VAL   5          2HG1      VAL   5  -5.599   4.189   8.066
   41   3HG1  VAL   5          3HG1      VAL   5  -6.239   3.968   6.420
   42   1HG2  VAL   5          1HG2      VAL   5  -2.548   2.466   7.595
   43   2HG2  VAL   5          2HG2      VAL   5  -2.432   4.236   7.745
   44   3HG2  VAL   5          3HG2      VAL   5  -3.632   3.338   8.705
   45    H    CYS   6           H        CYS   6  -2.816   0.599   6.965
   46    HA   CYS   6           HA       CYS   6  -4.702  -1.440   6.369
   47   1HB   CYS   6          1HB       CYS   6  -2.267  -1.818   6.746
   48   2HB   CYS   6          2HB       CYS   6  -2.497  -1.427   8.439
   49    H    THR   7           H        THR   7  -6.214  -2.414   7.873
   50    HA   THR   7           HA       THR   7  -6.993  -0.575  10.026
   51    HB   THR   7           HB       THR   7  -9.177  -1.988   9.766
   52    HG1  THR   7           HG1      THR   7  -9.155  -3.111   7.671
   53   1HG2  THR   7          1HG2      THR   7  -8.049   0.063   7.938
   54   2HG2  THR   7          2HG2      THR   7  -9.281  -0.967   7.170
   55   3HG2  THR   7          3HG2      THR   7  -9.681  -0.045   8.639
   56    H    VAL   8           H        VAL   8  -4.854  -2.912   9.848
   57    HA   VAL   8           HA       VAL   8  -5.901  -4.402  12.147
   58    HB   VAL   8           HB       VAL   8  -3.581  -5.045  10.317
   59   1HG1  VAL   8          1HG1      VAL   8  -4.705  -6.284  12.758
   60   2HG1  VAL   8          2HG1      VAL   8  -4.389  -7.406  11.413
   61   3HG1  VAL   8          3HG1      VAL   8  -3.073  -6.396  12.056
   62   1HG2  VAL   8          1HG2      VAL   8  -6.412  -5.270   9.856
   63   2HG2  VAL   8          2HG2      VAL   8  -5.059  -5.728   8.795
   64   3HG2  VAL   8          3HG2      VAL   8  -5.700  -6.897   9.973
   65    H    CYS   9           H        CYS   9  -3.044  -2.592  10.866
   66    HA   CYS   9           HA       CYS   9  -2.197  -2.292  13.656
   67   1HB   CYS   9          1HB       CYS   9   0.072  -1.745  12.471
   68   2HB   CYS   9          2HB       CYS   9  -0.408  -3.398  12.803
   69    H    GLY  10           H        GLY  10  -1.722  -0.709  10.404
   70   1HA   GLY  10          2HA       GLY  10  -2.199   1.895  11.717
   71   2HA   GLY  10          1HA       GLY  10  -3.007   1.457  10.225
   72    H    TYR  11           H        TYR  11  -1.355   0.443   8.542
   73    HA   TYR  11           HA       TYR  11   1.078   2.163   8.491
   74   1HB   TYR  11          1HB       TYR  11   1.729  -0.112   8.469
   75   2HB   TYR  11          2HB       TYR  11   0.434  -0.559   7.347
   76    HD1  TYR  11           HD1      TYR  11   3.545   1.520   7.572
   77    HD2  TYR  11           HD2      TYR  11   0.867  -0.706   5.057
   78    HE1  TYR  11           HE1      TYR  11   5.101   1.804   5.663
   79    HE2  TYR  11           HE2      TYR  11   2.424  -0.422   3.148
   80    HH   TYR  11           HH       TYR  11   4.813   1.781   2.957
   81    H    GLU  12           H        GLU  12   0.290   4.059   7.466
   82    HA   GLU  12           HA       GLU  12  -1.526   3.879   5.342
   83   1HB   GLU  12          1HB       GLU  12  -0.992   6.311   5.030
   84   2HB   GLU  12          2HB       GLU  12  -1.393   5.901   6.686
   85   1HG   GLU  12          1HG       GLU  12   1.345   5.502   6.692
   86   2HG   GLU  12          2HG       GLU  12   1.199   6.812   5.536
   87    H    TYR  13           H        TYR  13  -1.071   2.967   3.458
   88    HA   TYR  13           HA       TYR  13   1.665   2.875   2.434
   89   1HB   TYR  13          1HB       TYR  13   0.384   0.899   2.156
   90   2HB   TYR  13          2HB       TYR  13  -1.012   1.795   1.534
   91    HD1  TYR  13           HD1      TYR  13  -1.065   2.608  -0.772
   92    HD2  TYR  13           HD2      TYR  13   2.285   0.378   0.732
   93    HE1  TYR  13           HE1      TYR  13  -0.273   2.232  -3.092
   94    HE2  TYR  13           HE2      TYR  13   3.077   0.003  -1.588
   95    HH   TYR  13           HH       TYR  13   2.430   1.605  -4.099
   96    H    ASP  14           H        ASP  14   2.514   4.094   0.713
   97    HA   ASP  14           HA       ASP  14   0.618   6.013  -0.397
   98   1HB   ASP  14          1HB       ASP  14   3.383   6.300   0.693
   99   2HB   ASP  14          2HB       ASP  14   3.100   7.154  -0.811
  100    HA   PRO  15           HA       PRO  15   2.040   4.257  -4.256
  101   1HB   PRO  15          1HB       PRO  15   0.584   5.723  -5.969
  102   2HB   PRO  15          2HB       PRO  15  -0.238   4.709  -4.739
  103   1HG   PRO  15          1HG       PRO  15   0.181   7.849  -4.439
  104   2HG   PRO  15          2HG       PRO  15  -1.132   6.641  -4.252
  105   1HD   PRO  15          1HD       PRO  15   0.750   7.554  -2.253
  106   2HD   PRO  15          2HD       PRO  15  -0.412   6.201  -2.098
  107    H    ALA  16           H        ALA  16   2.312   7.768  -3.479
  108    HA   ALA  16           HA       ALA  16   3.996   8.305  -5.715
  109   1HB   ALA  16          2HB       ALA  16   4.354  10.465  -4.477
  110   2HB   ALA  16          3HB       ALA  16   2.640  10.061  -4.736
  111   3HB   ALA  16          1HB       ALA  16   3.383   9.805  -3.139
  112    H    LYS  17           H        LYS  17   4.389   6.981  -2.474
  113    HA   LYS  17           HA       LYS  17   7.293   7.289  -2.727
  114   1HB   LYS  17          1HB       LYS  17   5.472   7.597  -0.535
  115   2HB   LYS  17          2HB       LYS  17   6.538   6.254  -0.177
  116   1HG   LYS  17          1HG       LYS  17   7.658   8.860  -1.267
  117   2HG   LYS  17          2HG       LYS  17   7.312   8.688   0.442
  118   1HD   LYS  17          1HD       LYS  17   9.380   7.761   0.635
  119   2HD   LYS  17          2HD       LYS  17   8.701   6.334  -0.122
  120   1HE   LYS  17          1HE       LYS  17   9.262   7.395  -2.393
  121   2HE   LYS  17          2HE       LYS  17  10.133   8.639  -1.519
  122    H    GLY  18           H        GLY  18   4.581   4.981  -2.416
  123   1HA   GLY  18          2HA       GLY  18   5.990   2.920  -3.714
  124   2HA   GLY  18          1HA       GLY  18   4.469   2.779  -2.855
  125    H    ASP  19           H        ASP  19   7.141   1.150  -2.960
  126    HA   ASP  19           HA       ASP  19   7.787   1.265  -0.140
  127   1HB   ASP  19          1HB       ASP  19   6.999  -1.281  -1.635
  128   2HB   ASP  19          2HB       ASP  19   7.612  -1.233   0.006
  129    HA   PRO  20           HA       PRO  20  11.744   0.438  -2.058
  130   1HB   PRO  20          1HB       PRO  20  13.316   0.631   0.112
  131   2HB   PRO  20          2HB       PRO  20  12.338   2.039  -0.416
  132   1HG   PRO  20          1HG       PRO  20  11.490   0.155   2.025
  133   2HG   PRO  20          2HG       PRO  20  11.649   1.882   1.570
  134   1HD   PRO  20          1HD       PRO  20   9.362   0.102   1.221
  135   2HD   PRO  20          2HD       PRO  20   9.510   1.808   0.698
  136    H    ASP  21           H        ASP  21  10.821  -1.379   0.979
  137    HA   ASP  21           HA       ASP  21  12.412  -3.571  -0.052
  138   1HB   ASP  21          1HB       ASP  21  11.594  -2.604   2.614
  139   2HB   ASP  21          2HB       ASP  21  11.328  -4.326   2.434
  140    H    SER  22           H        SER  22  11.061  -4.661  -1.553
  141    HA   SER  22           HA       SER  22   9.275  -6.448  -0.829
  142   1HB   SER  22          1HB       SER  22   8.024  -3.793  -0.638
  143   2HB   SER  22          2HB       SER  22   7.143  -4.848  -1.724
  144    HG   SER  22           HG       SER  22   7.964  -5.666   0.926
  145    H    GLY  23           H        GLY  23  10.212  -3.894  -3.083
  146   1HA   GLY  23          2HA       GLY  23   9.699  -5.742  -5.320
  147   2HA   GLY  23          1HA       GLY  23  10.907  -4.474  -5.270
  148    H    ILE  24           H        ILE  24   9.565  -2.219  -4.414
  149    HA   ILE  24           HA       ILE  24   7.668  -1.847  -6.608
  150    HB   ILE  24           HB       ILE  24   7.191  -0.745  -3.845
  151   1HG1  ILE  24          1HG1      ILE  24   7.138  -3.222  -3.782
  152   2HG1  ILE  24          2HG1      ILE  24   5.585  -2.484  -3.443
  153   1HG2  ILE  24          1HG2      ILE  24   6.039  -0.285  -6.436
  154   2HG2  ILE  24          2HG2      ILE  24   4.820  -1.007  -5.358
  155   3HG2  ILE  24          3HG2      ILE  24   5.663   0.485  -4.876
  156   1HD1  ILE  24          1HD1      ILE  24   6.144  -3.135  -6.317
  157   2HD1  ILE  24          2HD1      ILE  24   5.876  -4.507  -5.215
  158   3HD1  ILE  24          3HD1      ILE  24   4.624  -3.255  -5.399
  159    H    LYS  25           H        LYS  25   7.809   0.163  -7.630
  160    HA   LYS  25           HA       LYS  25  10.065   1.790  -6.696
  161   1HB   LYS  25          1HB       LYS  25   9.278   0.764  -9.301
  162   2HB   LYS  25          2HB       LYS  25   9.438   2.508  -9.333
  163   1HG   LYS  25          1HG       LYS  25  11.688   2.091  -8.017
  164   2HG   LYS  25          2HG       LYS  25  11.530   0.440  -8.584
  165   1HD   LYS  25          1HD       LYS  25  12.203   1.002 -10.682
  166   2HD   LYS  25          2HD       LYS  25  11.038   2.307 -10.779
  167   1HE   LYS  25          1HE       LYS  25  13.095   3.455 -10.920
  168   2HE   LYS  25          2HE       LYS  25  12.688   3.627  -9.224
  169    HA   PRO  26           HA       PRO  26   7.607   5.128  -5.408
  170   1HB   PRO  26          1HB       PRO  26   9.454   6.766  -7.170
  171   2HB   PRO  26          2HB       PRO  26   8.989   6.976  -5.450
  172   1HG   PRO  26          1HG       PRO  26  11.423   5.892  -6.145
  173   2HG   PRO  26          2HG       PRO  26  10.362   5.536  -4.742
  174   1HD   PRO  26          1HD       PRO  26  10.860   3.954  -7.291
  175   2HD   PRO  26          2HD       PRO  26  10.559   3.359  -5.630
  176    H    GLY  27           H        GLY  27   5.628   5.869  -6.197
  177   1HA   GLY  27          2HA       GLY  27   5.457   6.667  -8.995
  178   2HA   GLY  27          1HA       GLY  27   4.259   6.904  -7.739
  179    H    THR  28           H        THR  28   3.778   4.411  -6.683
  180    HA   THR  28           HA       THR  28   2.795   2.942  -9.036
  181    HB   THR  28           HB       THR  28   3.977   1.767  -6.464
  182    HG1  THR  28           HG1      THR  28   5.645   2.598  -7.810
  183   1HG2  THR  28          1HG2      THR  28   2.954   0.561  -9.082
  184   2HG2  THR  28          2HG2      THR  28   4.050  -0.312  -7.983
  185   3HG2  THR  28          3HG2      THR  28   2.425   0.161  -7.430
  186    H    LYS  29           H        LYS  29   0.649   2.784  -9.096
  187    HA   LYS  29           HA       LYS  29  -0.911   3.773  -6.977
  188   1HB   LYS  29          1HB       LYS  29  -2.811   3.027  -8.359
  189   2HB   LYS  29          2HB       LYS  29  -1.639   3.954  -9.273
  190   1HG   LYS  29          1HG       LYS  29  -0.632   1.445  -9.676
  191   2HG   LYS  29          2HG       LYS  29  -2.323   1.042  -9.461
  192   1HD   LYS  29          1HD       LYS  29  -1.543   3.307 -11.321
  193   2HD   LYS  29          2HD       LYS  29  -1.416   1.648 -11.872
  194   1HE   LYS  29          1HE       LYS  29  -3.615   2.536 -12.500
  195   2HE   LYS  29          2HE       LYS  29  -3.828   1.275 -11.302
  196    H    PHE  30           H        PHE  30  -2.678   2.501  -5.859
  197    HA   PHE  30           HA       PHE  30  -1.452   0.198  -4.664
  198   1HB   PHE  30          1HB       PHE  30  -2.755   2.023  -3.452
  199   2HB   PHE  30          2HB       PHE  30  -4.189   1.573  -4.353
  200    HD1  PHE  30           HD1      PHE  30  -1.880   0.550  -1.691
  201    HD2  PHE  30           HD2      PHE  30  -5.455  -0.394  -3.773
  202    HE1  PHE  30           HE1      PHE  30  -2.478  -1.114   0.090
  203    HE2  PHE  30           HE2      PHE  30  -6.053  -2.059  -1.992
  204    HZ   PHE  30           HZ       PHE  30  -4.557  -2.399  -0.082
  205    H    GLU  31           H        GLU  31  -2.869   0.475  -7.572
  206    HA   GLU  31           HA       GLU  31  -4.485  -1.924  -7.219
  207   1HB   GLU  31          1HB       GLU  31  -5.475   0.269  -8.224
  208   2HB   GLU  31          2HB       GLU  31  -4.540  -0.113  -9.656
  209   1HG   GLU  31          1HG       GLU  31  -5.877  -2.530  -8.870
  210   2HG   GLU  31          2HG       GLU  31  -7.065  -1.245  -8.789
  211    H    ASP  32           H        ASP  32  -1.519  -0.646  -8.456
  212    HA   ASP  32           HA       ASP  32  -1.282  -2.734 -10.427
  213   1HB   ASP  32          1HB       ASP  32   0.354  -0.314  -9.626
  214   2HB   ASP  32          2HB       ASP  32   1.117  -1.584 -10.562
  215    H    LEU  33           H        LEU  33  -1.078  -2.575  -7.141
  216    HA   LEU  33           HA       LEU  33   1.490  -3.546  -6.558
  217   1HB   LEU  33          1HB       LEU  33  -1.136  -3.689  -5.080
  218   2HB   LEU  33          2HB       LEU  33   0.379  -4.266  -4.415
  219    HG   LEU  33           HG       LEU  33   0.000  -1.417  -5.358
  220   1HD1  LEU  33          1HD1      LEU  33  -1.673  -1.967  -3.615
  221   2HD1  LEU  33          2HD1      LEU  33  -0.347  -2.445  -2.528
  222   3HD1  LEU  33          3HD1      LEU  33  -0.478  -0.759  -3.086
  223   1HD2  LEU  33          1HD2      LEU  33   2.175  -2.954  -4.070
  224   2HD2  LEU  33          2HD2      LEU  33   2.238  -1.522  -5.126
  225   3HD2  LEU  33          3HD2      LEU  33   1.863  -1.336  -3.395
  226    HA   PRO  34           HA       PRO  34   1.763  -7.644  -7.954
  227   1HB   PRO  34          1HB       PRO  34   2.512  -8.256  -5.078
  228   2HB   PRO  34          2HB       PRO  34   3.335  -8.678  -6.615
  229   1HG   PRO  34          1HG       PRO  34   4.232  -6.588  -5.052
  230   2HG   PRO  34          2HG       PRO  34   4.242  -6.785  -6.835
  231   1HD   PRO  34          1HD       PRO  34   2.468  -5.085  -5.049
  232   2HD   PRO  34          2HD       PRO  34   3.070  -4.746  -6.701
  233    H    ASP  35           H        ASP  35   0.823  -9.901  -7.476
  234    HA   ASP  35           HA       ASP  35  -1.765  -9.477  -6.263
  235   1HB   ASP  35          1HB       ASP  35  -0.581 -11.525  -8.157
  236   2HB   ASP  35          2HB       ASP  35  -2.044 -11.921  -7.277
  237    H    ASP  36           H        ASP  36   0.964  -9.944  -4.847
  238    HA   ASP  36           HA       ASP  36  -0.014 -12.081  -3.164
  239   1HB   ASP  36          1HB       ASP  36   2.121 -12.448  -4.968
  240   2HB   ASP  36          2HB       ASP  36   2.921 -12.124  -3.442
  241    H    TRP  37           H        TRP  37   0.440  -8.977  -3.298
  242    HA   TRP  37           HA       TRP  37   2.470  -8.550  -1.294
  243   1HB   TRP  37          1HB       TRP  37   2.104  -7.004  -3.198
  244   2HB   TRP  37          2HB       TRP  37   0.521  -6.613  -2.556
  245    HD1  TRP  37           HD1      TRP  37   4.250  -5.974  -1.861
  246    HE1  TRP  37           HE1      TRP  37   4.583  -4.006  -0.134
  247    HE3  TRP  37           HE3      TRP  37  -0.665  -5.510  -0.641
  248    HZ2  TRP  37           HZ2      TRP  37   2.795  -2.511   1.511
  249    HZ3  TRP  37           HZ3      TRP  37  -1.286  -3.772   1.035
  250    HH2  TRP  37           HH2      TRP  37   0.351  -2.302   2.099
  251    H    ALA  38           H        ALA  38   2.064  -7.979   0.887
  252    HA   ALA  38           HA       ALA  38  -0.705  -7.822   1.743
  253   1HB   ALA  38          1HB       ALA  38   1.093 -10.145   2.179
  254   2HB   ALA  38          3HB       ALA  38  -0.684 -10.050   2.213
  255   3HB   ALA  38          2HB       ALA  38   0.262  -9.542   3.633
  256    H    CYS  39           H        CYS  39  -0.896  -6.913   3.925
  257    HA   CYS  39           HA       CYS  39   0.649  -4.770   4.386
  258   1HB   CYS  39          1HB       CYS  39  -1.469  -5.218   5.513
  259   2HB   CYS  39          2HB       CYS  39  -0.723  -6.486   6.466
  260    HA   PRO  40           HA       PRO  40   4.497  -6.977   5.284
  261   1HB   PRO  40          1HB       PRO  40   5.629  -4.242   4.961
  262   2HB   PRO  40          2HB       PRO  40   5.932  -5.743   4.026
  263   1HG   PRO  40          1HG       PRO  40   4.444  -3.647   2.811
  264   2HG   PRO  40          2HG       PRO  40   4.389  -5.435   2.680
  265   1HD   PRO  40          1HD       PRO  40   2.727  -3.571   4.481
  266   2HD   PRO  40          2HD       PRO  40   2.129  -4.753   3.277
  267    H    VAL  41           H        VAL  41   2.600  -4.705   6.998
  268    HA   VAL  41           HA       VAL  41   4.614  -4.201   9.017
  269    HB   VAL  41           HB       VAL  41   1.683  -3.463   8.920
  270   1HG1  VAL  41          1HG1      VAL  41   3.171  -3.439  11.124
  271   2HG1  VAL  41          2HG1      VAL  41   3.740  -1.901  10.431
  272   3HG1  VAL  41          3HG1      VAL  41   2.008  -2.140  10.765
  273   1HG2  VAL  41          1HG2      VAL  41   3.855  -2.505   7.323
  274   2HG2  VAL  41          2HG2      VAL  41   2.168  -1.937   7.371
  275   3HG2  VAL  41          3HG2      VAL  41   3.381  -1.217   8.457
  276    H    CYS  42           H        CYS  42   1.228  -5.535   9.049
  277    HA   CYS  42           HA       CYS  42   2.067  -7.183  11.303
  278   1HB   CYS  42          1HB       CYS  42  -0.323  -7.495  11.729
  279   2HB   CYS  42          2HB       CYS  42   0.154  -5.809  11.760
  280    H    GLY  43           H        GLY  43   0.541  -7.209   8.032
  281   1HA   GLY  43          2HA       GLY  43   0.765 -10.153   7.997
  282   2HA   GLY  43          1HA       GLY  43   1.469  -9.175   6.725
  283    H    ALA  44           H        ALA  44  -1.561  -8.264   8.389
  284    HA   ALA  44           HA       ALA  44  -3.566  -9.394   7.203
  285   1HB   ALA  44          1HB       ALA  44  -3.546  -7.258   8.586
  286   2HB   ALA  44          2HB       ALA  44  -3.282  -6.371   7.066
  287   3HB   ALA  44          3HB       ALA  44  -4.770  -7.320   7.295
  288    H    SER  45           H        SER  45  -4.496  -9.765   5.205
  289    HA   SER  45           HA       SER  45  -2.911  -9.690   2.994
  290   1HB   SER  45          1HB       SER  45  -5.544 -10.520   3.655
  291   2HB   SER  45          2HB       SER  45  -5.731  -9.470   2.265
  292    HG   SER  45           HG       SER  45  -4.952 -12.021   2.257
  293    H    LYS  46           H        LYS  46  -4.310  -8.543   0.840
  294    HA   LYS  46           HA       LYS  46  -3.761  -5.736   1.335
  295   1HB   LYS  46          1HB       LYS  46  -2.807  -7.092  -0.614
  296   2HB   LYS  46          2HB       LYS  46  -4.415  -7.052  -1.308
  297   1HG   LYS  46          1HG       LYS  46  -4.409  -4.644  -1.456
  298   2HG   LYS  46          2HG       LYS  46  -3.015  -4.505  -0.403
  299   1HD   LYS  46          1HD       LYS  46  -1.890  -4.296  -2.403
  300   2HD   LYS  46          2HD       LYS  46  -1.898  -6.047  -2.335
  301   1HE   LYS  46          1HE       LYS  46  -2.700  -5.504  -4.526
  302   2HE   LYS  46          2HE       LYS  46  -4.126  -5.976  -3.624
  303    H    ASP  47           H        ASP  47  -6.168  -7.170   2.461
  304    HA   ASP  47           HA       ASP  47  -8.167  -5.555   1.081
  305   1HB   ASP  47          1HB       ASP  47  -8.202  -8.338   2.157
  306   2HB   ASP  47          2HB       ASP  47  -9.623  -7.390   2.551
  307    H    ALA  48           H        ALA  48  -6.211  -5.871   3.808
  308    HA   ALA  48           HA       ALA  48  -8.207  -5.053   5.748
  309   1HB   ALA  48          3HB       ALA  48  -6.432  -5.346   7.354
  310   2HB   ALA  48          2HB       ALA  48  -5.201  -5.387   6.069
  311   3HB   ALA  48          1HB       ALA  48  -6.366  -6.723   6.228
  312    H    PHE  49           H        PHE  49  -7.138  -3.465   3.240
  313    HA   PHE  49           HA       PHE  49  -6.354  -1.077   4.757
  314   1HB   PHE  49          1HB       PHE  49  -5.820  -2.160   1.941
  315   2HB   PHE  49          2HB       PHE  49  -5.589  -0.457   2.283
  316    HD1  PHE  49           HD1      PHE  49  -4.373  -3.847   3.008
  317    HD2  PHE  49           HD2      PHE  49  -3.714   0.305   3.580
  318    HE1  PHE  49           HE1      PHE  49  -2.061  -4.331   3.855
  319    HE2  PHE  49           HE2      PHE  49  -1.402  -0.178   4.428
  320    HZ   PHE  49           HZ       PHE  49  -0.603  -2.491   4.555
  321    H    GLU  50           H        GLU  50  -7.287   0.978   4.116
  322    HA   GLU  50           HA       GLU  50  -9.326   0.987   2.152
  323   1HB   GLU  50          1HB       GLU  50 -10.833   0.082   3.697
  324   2HB   GLU  50          2HB       GLU  50 -10.041   0.823   5.074
  325   1HG   GLU  50          1HG       GLU  50 -12.178   1.957   4.665
  326   2HG   GLU  50          2HG       GLU  50 -10.864   3.070   4.341
  327    H    LYS  51           H        LYS  51  -9.906   3.145   1.550
  328    HA   LYS  51           HA       LYS  51  -8.057   5.069   1.749
  329   1HB   LYS  51          1HB       LYS  51 -10.356   4.893   0.460
  330   2HB   LYS  51          2HB       LYS  51 -10.943   5.892   1.774
  331   1HG   LYS  51          1HG       LYS  51  -8.478   7.074   1.040
  332   2HG   LYS  51          2HG       LYS  51  -9.216   6.624  -0.484
  333   1HD   LYS  51          1HD       LYS  51 -11.357   7.710   0.981
  334   2HD   LYS  51          2HD       LYS  51 -10.003   8.731   1.424
  335   1HE   LYS  51          1HE       LYS  51 -10.844   9.780  -0.525
  336   2HE   LYS  51          2HE       LYS  51  -9.488   8.853  -1.133
  337    H    GLN  52           H        GLN  52  -6.997   5.632   3.598
  338    HA   GLN  52           HA       GLN  52  -8.166   7.356   5.358
  339   1HB   GLN  52          1HB       GLN  52  -8.832   4.623   5.990
  340   2HB   GLN  52          2HB       GLN  52  -7.748   5.214   7.234
  341   1HG   GLN  52          1HG       GLN  52  -9.997   7.023   6.354
  342   2HG   GLN  52          2HG       GLN  52 -10.403   5.641   7.352
  343   2HE2  GLN  52          2HE2      GLN  52 -10.036   5.677   9.468
  344   1HE2  GLN  52          1HE2      GLN  52  -9.238   6.941  10.343

  No H/Q in entry =         344
  Start of MODEL   17
    1    H1   MET   1          1H        MET   1  -6.725   8.344  -0.754
    2    H2   MET   1          2H        MET   1  -7.893   9.512  -0.634
    3    H3   MET   1          3H        MET   1  -8.322   7.939  -0.928
    4    HA   MET   1           HA       MET   1  -8.434   8.467  -2.964
    5   1HB   MET   1          1HB       MET   1  -7.699  10.945  -1.881
    6   2HB   MET   1          2HB       MET   1  -6.428  10.676  -3.058
    7   1HG   MET   1          1HG       MET   1  -9.418  10.503  -3.678
    8   2HG   MET   1          2HG       MET   1  -8.417  11.903  -4.009
    9   1HE   MET   1          1HE       MET   1  -6.654  12.113  -5.275
   10   2HE   MET   1          2HE       MET   1  -5.758  10.873  -6.185
   11   3HE   MET   1          3HE       MET   1  -7.096  11.753  -6.961
   12    H    ASP   2           H        ASP   2  -5.084   9.054  -1.692
   13    HA   ASP   2           HA       ASP   2  -4.168   7.285  -3.822
   14   1HB   ASP   2          1HB       ASP   2  -2.363   9.264  -2.407
   15   2HB   ASP   2          2HB       ASP   2  -2.152   8.536  -3.987
   16    H    ILE   3           H        ILE   3  -3.548   8.571  -0.475
   17    HA   ILE   3           HA       ILE   3  -1.762   6.477   0.208
   18    HB   ILE   3           HB       ILE   3  -3.249   8.522   1.857
   19   1HG1  ILE   3          1HG1      ILE   3  -0.308   8.633   1.459
   20   2HG1  ILE   3          2HG1      ILE   3  -1.286   8.982   0.047
   21   1HG2  ILE   3          1HG2      ILE   3  -1.352   6.340   2.638
   22   2HG2  ILE   3          2HG2      ILE   3  -1.285   7.901   3.490
   23   3HG2  ILE   3          3HG2      ILE   3  -2.796   6.959   3.475
   24   1HD1  ILE   3          1HD1      ILE   3  -2.516  10.342   2.248
   25   2HD1  ILE   3          2HD1      ILE   3  -0.768  10.667   2.334
   26   3HD1  ILE   3          3HD1      ILE   3  -1.674  11.059   0.853
   27    H    TYR   4           H        TYR   4  -2.090   4.727   1.576
   28    HA   TYR   4           HA       TYR   4  -4.938   3.895   1.874
   29   1HB   TYR   4          1HB       TYR   4  -2.502   2.382   0.930
   30   2HB   TYR   4          2HB       TYR   4  -3.880   1.534   1.652
   31    HD1  TYR   4           HD1      TYR   4  -2.973   3.914  -1.092
   32    HD2  TYR   4           HD2      TYR   4  -5.744   0.966   0.351
   33    HE1  TYR   4           HE1      TYR   4  -4.133   3.931  -3.283
   34    HE2  TYR   4           HE2      TYR   4  -6.904   0.984  -1.841
   35    HH   TYR   4           HH       TYR   4  -5.850   3.094  -4.530
   36    H    VAL   5           H        VAL   5  -5.544   3.130   3.921
   37    HA   VAL   5           HA       VAL   5  -3.339   3.008   5.859
   38    HB   VAL   5           HB       VAL   5  -6.254   3.609   6.377
   39   1HG1  VAL   5          1HG1      VAL   5  -4.483   2.731   8.172
   40   2HG1  VAL   5          2HG1      VAL   5  -4.040   4.455   8.196
   41   3HG1  VAL   5          3HG1      VAL   5  -5.708   3.959   8.571
   42   1HG2  VAL   5          1HG2      VAL   5  -3.932   5.505   5.912
   43   2HG2  VAL   5          2HG2      VAL   5  -5.450   5.391   4.989
   44   3HG2  VAL   5          3HG2      VAL   5  -5.471   5.986   6.667
   45    H    CYS   6           H        CYS   6  -3.128   1.188   7.156
   46    HA   CYS   6           HA       CYS   6  -4.439  -1.140   6.188
   47   1HB   CYS   6          1HB       CYS   6  -2.060  -1.023   6.975
   48   2HB   CYS   6          2HB       CYS   6  -2.658  -0.857   8.614
   49    H    THR   7           H        THR   7  -5.993  -2.439   7.328
   50    HA   THR   7           HA       THR   7  -7.412  -0.956   9.429
   51    HB   THR   7           HB       THR   7  -9.214  -2.749   8.701
   52    HG1  THR   7           HG1      THR   7  -7.595  -2.583   6.298
   53   1HG2  THR   7          1HG2      THR   7  -8.222  -0.388   7.079
   54   2HG2  THR   7          2HG2      THR   7  -9.478  -1.441   6.385
   55   3HG2  THR   7          3HG2      THR   7  -9.777  -0.592   7.921
   56    H    VAL   8           H        VAL   8  -4.932  -3.028   9.351
   57    HA   VAL   8           HA       VAL   8  -6.037  -4.831  11.369
   58    HB   VAL   8           HB       VAL   8  -3.459  -4.856   9.789
   59   1HG1  VAL   8          1HG1      VAL   8  -4.421  -6.523  12.087
   60   2HG1  VAL   8          2HG1      VAL   8  -3.489  -7.307  10.789
   61   3HG1  VAL   8          3HG1      VAL   8  -2.781  -5.950  11.698
   62   1HG2  VAL   8          1HG2      VAL   8  -6.143  -6.005   9.374
   63   2HG2  VAL   8          2HG2      VAL   8  -4.836  -5.682   8.209
   64   3HG2  VAL   8          3HG2      VAL   8  -4.806  -7.166   9.191
   65    H    CYS   9           H        CYS   9  -3.393  -2.442  10.764
   66    HA   CYS   9           HA       CYS   9  -3.205  -2.180  13.675
   67   1HB   CYS   9          1HB       CYS   9  -0.758  -1.458  13.095
   68   2HB   CYS   9          2HB       CYS   9  -1.179  -3.144  13.326
   69    H    GLY  10           H        GLY  10  -1.977  -0.554  10.651
   70   1HA   GLY  10          2HA       GLY  10  -2.357   2.057  11.729
   71   2HA   GLY  10          1HA       GLY  10  -3.659   1.628  10.637
   72    H    TYR  11           H        TYR  11  -0.113   1.066  10.752
   73    HA   TYR  11           HA       TYR  11   1.525   1.869   9.302
   74   1HB   TYR  11          1HB       TYR  11   0.494  -0.423   8.538
   75   2HB   TYR  11          2HB       TYR  11  -0.137   0.527   7.182
   76    HD1  TYR  11           HD1      TYR  11   3.141   0.722   9.002
   77    HD2  TYR  11           HD2      TYR  11   1.103  -0.059   5.302
   78    HE1  TYR  11           HE1      TYR  11   5.324   0.515   7.844
   79    HE2  TYR  11           HE2      TYR  11   3.286  -0.266   4.144
   80    HH   TYR  11           HH       TYR  11   6.395   0.160   5.861
   81    H    GLU  12           H        GLU  12   0.949   2.168   6.290
   82    HA   GLU  12           HA       GLU  12  -0.914   3.954   5.681
   83   1HB   GLU  12          1HB       GLU  12   0.458   6.185   5.884
   84   2HB   GLU  12          2HB       GLU  12  -0.435   5.600   7.273
   85   1HG   GLU  12          1HG       GLU  12   1.479   5.027   8.448
   86   2HG   GLU  12          2HG       GLU  12   2.361   4.564   7.007
   87    H    TYR  13           H        TYR  13  -0.465   2.728   3.818
   88    HA   TYR  13           HA       TYR  13   2.104   2.853   2.495
   89   1HB   TYR  13          1HB       TYR  13   0.560   0.945   2.283
   90   2HB   TYR  13          2HB       TYR  13  -0.638   1.996   1.510
   91    HD1  TYR  13           HD1      TYR  13   2.937   0.907   1.117
   92    HD2  TYR  13           HD2      TYR  13  -0.715   2.093  -0.807
   93    HE1  TYR  13           HE1      TYR  13   3.949   0.431  -1.096
   94    HE2  TYR  13           HE2      TYR  13   0.296   1.617  -3.021
   95    HH   TYR  13           HH       TYR  13   2.305   1.189  -4.139
   96    H    ASP  14           H        ASP  14   2.887   4.602   1.360
   97    HA   ASP  14           HA       ASP  14   0.853   6.410   0.325
   98   1HB   ASP  14          1HB       ASP  14   2.692   7.178   2.013
   99   2HB   ASP  14          2HB       ASP  14   3.814   7.026   0.676
  100    HA   PRO  15           HA       PRO  15   2.086   4.422  -3.561
  101   1HB   PRO  15          1HB       PRO  15   0.358   6.694  -4.552
  102   2HB   PRO  15          2HB       PRO  15   0.297   4.937  -4.907
  103   1HG   PRO  15          1HG       PRO  15  -1.228   6.137  -3.480
  104   2HG   PRO  15          2HG       PRO  15  -1.192   4.457  -2.850
  105   1HD   PRO  15          1HD       PRO  15  -0.189   6.938  -1.622
  106   2HD   PRO  15          2HD       PRO  15  -0.218   5.289  -0.926
  107    H    ALA  16           H        ALA  16   2.503   7.752  -2.406
  108    HA   ALA  16           HA       ALA  16   3.944   8.613  -4.716
  109   1HB   ALA  16          2HB       ALA  16   4.465  10.061  -2.226
  110   2HB   ALA  16          1HB       ALA  16   2.726   9.794  -2.493
  111   3HB   ALA  16          3HB       ALA  16   3.700  10.625  -3.730
  112    H    LYS  17           H        LYS  17   4.617   6.704  -1.863
  113    HA   LYS  17           HA       LYS  17   7.490   7.115  -2.239
  114   1HB   LYS  17          1HB       LYS  17   5.942   7.040   0.058
  115   2HB   LYS  17          2HB       LYS  17   6.635   5.432   0.006
  116   1HG   LYS  17          1HG       LYS  17   8.458   6.420   0.975
  117   2HG   LYS  17          2HG       LYS  17   8.843   6.930  -0.657
  118   1HD   LYS  17          1HD       LYS  17   6.947   8.654   0.931
  119   2HD   LYS  17          2HD       LYS  17   8.641   8.688   1.379
  120   1HE   LYS  17          1HE       LYS  17   8.348   8.842  -1.533
  121   2HE   LYS  17          2HE       LYS  17   7.410  10.100  -0.754
  122    H    GLY  18           H        GLY  18   4.893   4.614  -2.125
  123   1HA   GLY  18          2HA       GLY  18   6.534   2.943  -3.876
  124   2HA   GLY  18          1HA       GLY  18   4.819   2.783  -3.548
  125    H    ASP  19           H        ASP  19   7.225   0.857  -3.345
  126    HA   ASP  19           HA       ASP  19   7.157   0.306  -0.512
  127   1HB   ASP  19          1HB       ASP  19   5.693  -1.197  -2.561
  128   2HB   ASP  19          2HB       ASP  19   6.869  -2.227  -1.769
  129    HA   PRO  20           HA       PRO  20  11.305  -0.232  -2.457
  130   1HB   PRO  20          1HB       PRO  20  12.165   0.580   0.284
  131   2HB   PRO  20          2HB       PRO  20  12.530   1.308  -1.314
  132   1HG   PRO  20          1HG       PRO  20  10.777   2.627   0.462
  133   2HG   PRO  20          2HG       PRO  20  10.696   2.620  -1.330
  134   1HD   PRO  20          1HD       PRO  20   9.264   0.815   0.701
  135   2HD   PRO  20          2HD       PRO  20   8.554   1.744  -0.655
  136    H    ASP  21           H        ASP  21  13.010  -1.847  -1.969
  137    HA   ASP  21           HA       ASP  21  13.557  -3.883  -1.421
  138   1HB   ASP  21          1HB       ASP  21  14.228  -2.630   0.642
  139   2HB   ASP  21          2HB       ASP  21  12.662  -2.966   1.353
  140    H    SER  22           H        SER  22  11.581  -4.705  -2.649
  141    HA   SER  22           HA       SER  22  10.286  -6.669  -1.283
  142   1HB   SER  22          1HB       SER  22   9.131  -4.290  -0.507
  143   2HB   SER  22          2HB       SER  22   8.109  -4.723  -1.863
  144    HG   SER  22           HG       SER  22   8.644  -6.888  -0.176
  145    H    GLY  23           H        GLY  23  10.220  -4.207  -3.875
  146   1HA   GLY  23          2HA       GLY  23   9.192  -6.275  -5.728
  147   2HA   GLY  23          1HA       GLY  23  10.500  -5.176  -6.120
  148    H    ILE  24           H        ILE  24   9.398  -2.790  -4.824
  149    HA   ILE  24           HA       ILE  24   7.311  -2.225  -6.792
  150    HB   ILE  24           HB       ILE  24   7.127  -1.261  -3.947
  151   1HG1  ILE  24          1HG1      ILE  24   7.058  -3.777  -4.075
  152   2HG1  ILE  24          2HG1      ILE  24   5.637  -3.012  -3.391
  153   1HG2  ILE  24          1HG2      ILE  24   5.809  -0.551  -6.334
  154   2HG2  ILE  24          2HG2      ILE  24   4.644  -1.504  -5.384
  155   3HG2  ILE  24          3HG2      ILE  24   5.407  -0.062  -4.671
  156   1HD1  ILE  24          1HD1      ILE  24   5.359  -3.243  -6.290
  157   2HD1  ILE  24          2HD1      ILE  24   5.706  -4.827  -5.555
  158   3HD1  ILE  24          3HD1      ILE  24   4.304  -3.878  -5.005
  159    H    LYS  25           H        LYS  25   7.464  -0.191  -7.737
  160    HA   LYS  25           HA       LYS  25   9.903   1.249  -7.032
  161   1HB   LYS  25          1HB       LYS  25   8.570   0.571  -9.495
  162   2HB   LYS  25          2HB       LYS  25   8.702   2.313  -9.372
  163   1HG   LYS  25          1HG       LYS  25  11.008   2.292  -9.485
  164   2HG   LYS  25          2HG       LYS  25  11.149   0.818  -8.547
  165   1HD   LYS  25          1HD       LYS  25  10.599  -0.566 -10.464
  166   2HD   LYS  25          2HD       LYS  25  10.096   0.822 -11.407
  167   1HE   LYS  25          1HE       LYS  25  12.943   0.540 -10.354
  168   2HE   LYS  25          2HE       LYS  25  12.455  -0.139 -11.894
  169    HA   PRO  26           HA       PRO  26   7.866   4.840  -5.571
  170   1HB   PRO  26          1HB       PRO  26   9.124   6.653  -7.543
  171   2HB   PRO  26          2HB       PRO  26   9.483   6.415  -5.802
  172   1HG   PRO  26          1HG       PRO  26  11.367   5.499  -7.773
  173   2HG   PRO  26          2HG       PRO  26  11.043   4.830  -6.141
  174   1HD   PRO  26          1HD       PRO  26   9.811   4.052  -8.848
  175   2HD   PRO  26          2HD       PRO  26  10.606   2.988  -7.648
  176    H    GLY  27           H        GLY  27   5.885   5.939  -5.857
  177   1HA   GLY  27          2HA       GLY  27   5.031   6.858  -8.413
  178   2HA   GLY  27          1HA       GLY  27   4.098   6.805  -6.930
  179    H    THR  28           H        THR  28   4.120   4.068  -6.273
  180    HA   THR  28           HA       THR  28   2.977   2.788  -8.662
  181    HB   THR  28           HB       THR  28   4.071   1.639  -6.039
  182    HG1  THR  28           HG1      THR  28   5.677   2.511  -7.518
  183   1HG2  THR  28          1HG2      THR  28   2.591   0.458  -8.342
  184   2HG2  THR  28          2HG2      THR  28   4.140  -0.341  -7.980
  185   3HG2  THR  28          3HG2      THR  28   2.886  -0.220  -6.722
  186    H    LYS  29           H        LYS  29   0.838   2.691  -8.860
  187    HA   LYS  29           HA       LYS  29  -0.833   3.595  -6.775
  188   1HB   LYS  29          1HB       LYS  29  -1.332   2.315  -9.467
  189   2HB   LYS  29          2HB       LYS  29  -2.643   2.727  -8.380
  190   1HG   LYS  29          1HG       LYS  29  -2.414   4.982  -8.741
  191   2HG   LYS  29          2HG       LYS  29  -0.663   4.912  -8.717
  192   1HD   LYS  29          1HD       LYS  29  -0.757   5.212 -10.971
  193   2HD   LYS  29          2HD       LYS  29  -1.269   3.539 -11.066
  194   1HE   LYS  29          1HE       LYS  29  -3.529   4.091 -11.348
  195   2HE   LYS  29          2HE       LYS  29  -3.385   5.602 -10.473
  196    H    PHE  30           H        PHE  30  -2.431   2.409  -5.557
  197    HA   PHE  30           HA       PHE  30  -1.404  -0.052  -4.600
  198   1HB   PHE  30          1HB       PHE  30  -2.660   1.721  -3.281
  199   2HB   PHE  30          2HB       PHE  30  -4.088   1.416  -4.251
  200    HD1  PHE  30           HD1      PHE  30  -5.373  -0.651  -3.957
  201    HD2  PHE  30           HD2      PHE  30  -2.004   0.202  -1.522
  202    HE1  PHE  30           HE1      PHE  30  -6.104  -2.415  -2.327
  203    HE2  PHE  30           HE2      PHE  30  -2.735  -1.561   0.108
  204    HZ   PHE  30           HZ       PHE  30  -4.776  -2.849  -0.314
  205    H    GLU  31           H        GLU  31  -3.070   0.650  -7.423
  206    HA   GLU  31           HA       GLU  31  -4.719  -1.721  -7.284
  207   1HB   GLU  31          1HB       GLU  31  -4.705   0.778  -8.864
  208   2HB   GLU  31          2HB       GLU  31  -5.032  -0.644  -9.836
  209   1HG   GLU  31          1HG       GLU  31  -6.726  -1.290  -7.930
  210   2HG   GLU  31          2HG       GLU  31  -6.581   0.384  -7.433
  211    H    ASP  32           H        ASP  32  -1.606  -0.643  -8.376
  212    HA   ASP  32           HA       ASP  32  -1.456  -2.708 -10.379
  213   1HB   ASP  32          1HB       ASP  32   0.565  -0.632  -9.410
  214   2HB   ASP  32          2HB       ASP  32   0.885  -1.772 -10.702
  215    H    LEU  33           H        LEU  33  -1.457  -2.752  -7.133
  216    HA   LEU  33           HA       LEU  33   1.041  -3.843  -6.428
  217   1HB   LEU  33          1HB       LEU  33  -1.683  -3.907  -5.135
  218   2HB   LEU  33          2HB       LEU  33  -0.261  -4.624  -4.404
  219    HG   LEU  33           HG       LEU  33  -0.394  -1.708  -5.195
  220   1HD1  LEU  33          1HD1      LEU  33  -2.200  -2.208  -3.598
  221   2HD1  LEU  33          2HD1      LEU  33  -1.003  -2.897  -2.475
  222   3HD1  LEU  33          3HD1      LEU  33  -0.940  -1.168  -2.892
  223   1HD2  LEU  33          1HD2      LEU  33   1.807  -3.110  -4.690
  224   2HD2  LEU  33          2HD2      LEU  33   1.612  -1.423  -4.159
  225   3HD2  LEU  33          3HD2      LEU  33   1.342  -2.755  -3.010
  226    HA   PRO  34           HA       PRO  34   0.975  -7.900  -8.004
  227   1HB   PRO  34          1HB       PRO  34   2.239  -9.192  -5.873
  228   2HB   PRO  34          2HB       PRO  34   3.074  -8.186  -7.101
  229   1HG   PRO  34          1HG       PRO  34   2.102  -7.513  -4.483
  230   2HG   PRO  34          2HG       PRO  34   3.735  -7.010  -5.029
  231   1HD   PRO  34          1HD       PRO  34   1.809  -5.194  -5.087
  232   2HD   PRO  34          2HD       PRO  34   2.750  -5.417  -6.593
  233    H    ASP  35           H        ASP  35  -0.699  -6.892  -5.101
  234    HA   ASP  35           HA       ASP  35  -2.671  -7.626  -4.423
  235   1HB   ASP  35          1HB       ASP  35  -2.691  -9.014  -6.679
  236   2HB   ASP  35          2HB       ASP  35  -2.254 -10.368  -5.655
  237    H    ASP  36           H        ASP  36  -0.122 -10.211  -4.693
  238    HA   ASP  36           HA       ASP  36  -0.797 -11.508  -2.346
  239   1HB   ASP  36          1HB       ASP  36   1.634 -12.345  -2.487
  240   2HB   ASP  36          2HB       ASP  36   0.618 -12.662  -3.880
  241    H    TRP  37           H        TRP  37   0.563  -8.404  -2.924
  242    HA   TRP  37           HA       TRP  37   2.490  -8.139  -0.961
  243   1HB   TRP  37          1HB       TRP  37   2.077  -6.502  -2.719
  244   2HB   TRP  37          2HB       TRP  37   0.521  -6.102  -2.019
  245    HD1  TRP  37           HD1      TRP  37   4.287  -5.575  -1.382
  246    HE1  TRP  37           HE1      TRP  37   4.700  -3.631   0.354
  247    HE3  TRP  37           HE3      TRP  37  -0.599  -4.959  -0.113
  248    HZ2  TRP  37           HZ2      TRP  37   2.976  -2.088   2.025
  249    HZ3  TRP  37           HZ3      TRP  37  -1.148  -3.212   1.578
  250    HH2  TRP  37           HH2      TRP  37   0.546  -1.803   2.636
  251    H    ALA  38           H        ALA  38   2.324  -7.194   1.224
  252    HA   ALA  38           HA       ALA  38  -0.297  -7.129   2.426
  253   1HB   ALA  38          2HB       ALA  38   1.803  -9.152   3.311
  254   2HB   ALA  38          3HB       ALA  38   0.258  -8.823   4.132
  255   3HB   ALA  38          1HB       ALA  38   0.265  -9.535   2.501
  256    H    CYS  39           H        CYS  39  -0.201  -6.199   4.630
  257    HA   CYS  39           HA       CYS  39   1.530  -4.057   4.749
  258   1HB   CYS  39          1HB       CYS  39  -0.633  -4.174   5.899
  259   2HB   CYS  39          2HB       CYS  39   0.003  -5.380   7.001
  260    HA   PRO  40           HA       PRO  40   5.263  -6.337   5.735
  261   1HB   PRO  40          1HB       PRO  40   6.211  -3.505   6.150
  262   2HB   PRO  40          2HB       PRO  40   6.870  -4.821   5.124
  263   1HG   PRO  40          1HG       PRO  40   5.491  -2.734   3.976
  264   2HG   PRO  40          2HG       PRO  40   5.534  -4.466   3.513
  265   1HD   PRO  40          1HD       PRO  40   3.439  -2.907   5.111
  266   2HD   PRO  40          2HD       PRO  40   3.191  -4.077   3.779
  267    H    VAL  41           H        VAL  41   3.251  -4.263   7.693
  268    HA   VAL  41           HA       VAL  41   4.982  -4.433   9.995
  269    HB   VAL  41           HB       VAL  41   2.143  -3.436   9.686
  270   1HG1  VAL  41          1HG1      VAL  41   3.334  -4.079  12.024
  271   2HG1  VAL  41          2HG1      VAL  41   3.922  -2.410  11.833
  272   3HG1  VAL  41          3HG1      VAL  41   2.174  -2.741  11.847
  273   1HG2  VAL  41          1HG2      VAL  41   4.810  -2.012   9.483
  274   2HG2  VAL  41          2HG2      VAL  41   3.520  -2.110   8.261
  275   3HG2  VAL  41          3HG2      VAL  41   3.266  -1.166   9.750
  276    H    CYS  42           H        CYS  42   1.513  -5.384   9.463
  277    HA   CYS  42           HA       CYS  42   1.955  -7.550  11.343
  278   1HB   CYS  42          1HB       CYS  42  -0.550  -7.800  11.152
  279   2HB   CYS  42          2HB       CYS  42   0.045  -6.331  11.899
  280    H    GLY  43           H        GLY  43   0.835  -6.853   7.970
  281   1HA   GLY  43          2HA       GLY  43   1.652  -9.566   7.206
  282   2HA   GLY  43          1HA       GLY  43   1.426  -8.190   6.145
  283    H    ALA  44           H        ALA  44  -1.098  -7.215   6.847
  284    HA   ALA  44           HA       ALA  44  -2.933  -9.450   6.855
  285   1HB   ALA  44          1HB       ALA  44  -3.128  -7.152   8.095
  286   2HB   ALA  44          2HB       ALA  44  -3.676  -6.542   6.515
  287   3HB   ALA  44          3HB       ALA  44  -4.575  -7.846   7.325
  288    H    SER  45           H        SER  45  -4.625  -9.670   5.171
  289    HA   SER  45           HA       SER  45  -3.544  -9.882   2.686
  290   1HB   SER  45          1HB       SER  45  -5.722 -10.474   1.944
  291   2HB   SER  45          2HB       SER  45  -5.701 -10.917   3.640
  292    HG   SER  45           HG       SER  45  -7.056  -8.757   2.346
  293    H    LYS  46           H        LYS  46  -3.393  -8.552   0.854
  294    HA   LYS  46           HA       LYS  46  -3.271  -5.837   1.170
  295   1HB   LYS  46          1HB       LYS  46  -2.192  -7.036  -0.650
  296   2HB   LYS  46          2HB       LYS  46  -3.743  -7.470  -1.340
  297   1HG   LYS  46          1HG       LYS  46  -4.278  -5.073  -1.714
  298   2HG   LYS  46          2HG       LYS  46  -2.773  -4.598  -0.954
  299   1HD   LYS  46          1HD       LYS  46  -1.763  -4.745  -2.977
  300   2HD   LYS  46          2HD       LYS  46  -2.009  -6.480  -2.930
  301   1HE   LYS  46          1HE       LYS  46  -2.966  -5.434  -4.999
  302   2HE   LYS  46          2HE       LYS  46  -4.180  -6.270  -4.052
  303    H    ASP  47           H        ASP  47  -6.075  -7.893   0.856
  304    HA   ASP  47           HA       ASP  47  -7.732  -5.752  -0.062
  305   1HB   ASP  47          1HB       ASP  47  -7.897  -8.479  -0.251
  306   2HB   ASP  47          2HB       ASP  47  -8.922  -8.225   1.146
  307    H    ALA  48           H        ALA  48  -6.409  -4.977   2.296
  308    HA   ALA  48           HA       ALA  48  -8.586  -5.089   4.265
  309   1HB   ALA  48          3HB       ALA  48  -6.866  -5.119   6.035
  310   2HB   ALA  48          2HB       ALA  48  -5.588  -5.173   4.797
  311   3HB   ALA  48          1HB       ALA  48  -6.715  -6.540   4.973
  312    H    PHE  49           H        PHE  49  -5.714  -3.348   2.935
  313    HA   PHE  49           HA       PHE  49  -6.078  -0.986   4.338
  314   1HB   PHE  49          1HB       PHE  49  -4.959  -1.792   1.603
  315   2HB   PHE  49          2HB       PHE  49  -4.897  -0.117   2.113
  316    HD1  PHE  49           HD1      PHE  49  -3.651  -3.505   2.808
  317    HD2  PHE  49           HD2      PHE  49  -3.342   0.612   3.790
  318    HE1  PHE  49           HE1      PHE  49  -1.517  -3.961   4.047
  319    HE2  PHE  49           HE2      PHE  49  -1.207   0.156   5.030
  320    HZ   PHE  49           HZ       PHE  49  -0.320  -2.125   5.143
  321    H    GLU  50           H        GLU  50  -7.015   1.064   3.729
  322    HA   GLU  50           HA       GLU  50  -8.814   0.983   1.476
  323   1HB   GLU  50          1HB       GLU  50 -10.682   1.927   2.930
  324   2HB   GLU  50          2HB       GLU  50 -10.319   0.231   3.182
  325   1HG   GLU  50          1HG       GLU  50  -9.142   0.663   5.227
  326   2HG   GLU  50          2HG       GLU  50  -8.986   2.374   4.879
  327    H    LYS  51           H        LYS  51  -8.622   2.876   0.349
  328    HA   LYS  51           HA       LYS  51  -6.862   4.818   0.877
  329   1HB   LYS  51          1HB       LYS  51  -9.541   5.061  -0.518
  330   2HB   LYS  51          2HB       LYS  51  -8.293   6.290  -0.579
  331   1HG   LYS  51          1HG       LYS  51  -6.922   5.037  -1.956
  332   2HG   LYS  51          2HG       LYS  51  -7.367   3.519  -1.204
  333   1HD   LYS  51          1HD       LYS  51  -8.327   3.391  -3.378
  334   2HD   LYS  51          2HD       LYS  51  -9.678   3.793  -2.337
  335   1HE   LYS  51          1HE       LYS  51  -9.269   6.257  -2.901
  336   2HE   LYS  51          2HE       LYS  51  -8.085   5.729  -4.081
  337    H    GLN  52           H        GLN  52  -6.523   5.859   2.776
  338    HA   GLN  52           HA       GLN  52  -6.984   6.779   4.723
  339   1HB   GLN  52          1HB       GLN  52  -8.021   8.991   4.519
  340   2HB   GLN  52          2HB       GLN  52  -7.012   8.681   3.121
  341   1HG   GLN  52          1HG       GLN  52  -9.029   7.987   1.814
  342   2HG   GLN  52          2HG       GLN  52 -10.041   8.286   3.213
  343   2HE2  GLN  52          2HE2      GLN  52 -10.739   9.571   1.048
  344   1HE2  GLN  52          1HE2      GLN  52 -10.333  11.254   1.082

  No H/Q in entry =         344
  Start of MODEL   18
    1    H1   MET   1          1H        MET   1  -8.555  11.345  -0.986
    2    H2   MET   1          2H        MET   1  -8.078  12.117   0.398
    3    H3   MET   1          3H        MET   1  -8.127  12.943  -1.036
    4    HA   MET   1           HA       MET   1  -6.224  12.320  -1.678
    5   1HB   MET   1          1HB       MET   1  -6.372  11.997   1.256
    6   2HB   MET   1          2HB       MET   1  -5.101  11.000   0.577
    7   1HG   MET   1          1HG       MET   1  -3.822  12.817  -0.058
    8   2HG   MET   1          2HG       MET   1  -5.215  13.776  -0.515
    9   1HE   MET   1          1HE       MET   1  -2.431  14.029   1.214
   10   2HE   MET   1          2HE       MET   1  -2.698  14.618   2.872
   11   3HE   MET   1          3HE       MET   1  -2.752  12.872   2.528
   12    H    ASP   2           H        ASP   2  -5.023  10.668  -2.703
   13    HA   ASP   2           HA       ASP   2  -6.389   8.174  -2.803
   14   1HB   ASP   2          1HB       ASP   2  -4.375   7.668  -4.414
   15   2HB   ASP   2          2HB       ASP   2  -5.594   8.825  -4.912
   16    H    ILE   3           H        ILE   3  -5.633   8.206  -0.240
   17    HA   ILE   3           HA       ILE   3  -3.079   6.754  -0.136
   18    HB   ILE   3           HB       ILE   3  -4.352   8.710   1.748
   19   1HG1  ILE   3          1HG1      ILE   3  -1.440   8.544   1.044
   20   2HG1  ILE   3          2HG1      ILE   3  -2.566   9.191  -0.133
   21   1HG2  ILE   3          1HG2      ILE   3  -2.254   6.643   2.460
   22   2HG2  ILE   3          2HG2      ILE   3  -2.697   8.047   3.460
   23   3HG2  ILE   3          3HG2      ILE   3  -3.898   6.777   3.129
   24   1HD1  ILE   3          1HD1      ILE   3  -2.768  10.198   2.701
   25   2HD1  ILE   3          2HD1      ILE   3  -1.419  10.771   1.691
   26   3HD1  ILE   3          3HD1      ILE   3  -3.099  11.047   1.172
   27    H    TYR   4           H        TYR   4  -2.965   4.959   1.263
   28    HA   TYR   4           HA       TYR   4  -5.599   3.838   2.076
   29   1HB   TYR   4          1HB       TYR   4  -3.377   2.514   0.496
   30   2HB   TYR   4          2HB       TYR   4  -4.651   1.604   1.325
   31    HD1  TYR   4           HD1      TYR   4  -3.885   3.895  -1.465
   32    HD2  TYR   4           HD2      TYR   4  -6.931   1.587   0.496
   33    HE1  TYR   4           HE1      TYR   4  -5.366   4.176  -3.434
   34    HE2  TYR   4           HE2      TYR   4  -8.411   1.867  -1.474
   35    HH   TYR   4           HH       TYR   4  -7.319   3.198  -4.496
   36    H    VAL   5           H        VAL   5  -5.609   2.898   4.133
   37    HA   VAL   5           HA       VAL   5  -2.966   2.431   5.316
   38    HB   VAL   5           HB       VAL   5  -5.311   3.774   6.674
   39   1HG1  VAL   5          1HG1      VAL   5  -2.714   2.688   7.612
   40   2HG1  VAL   5          2HG1      VAL   5  -3.155   4.298   8.231
   41   3HG1  VAL   5          3HG1      VAL   5  -4.249   2.917   8.484
   42   1HG2  VAL   5          1HG2      VAL   5  -3.219   4.860   4.981
   43   2HG2  VAL   5          2HG2      VAL   5  -4.630   5.667   5.705
   44   3HG2  VAL   5          3HG2      VAL   5  -3.116   5.522   6.630
   45    H    CYS   6           H        CYS   6  -2.904   0.726   6.892
   46    HA   CYS   6           HA       CYS   6  -4.804  -1.308   6.326
   47   1HB   CYS   6          1HB       CYS   6  -2.376  -1.702   6.717
   48   2HB   CYS   6          2HB       CYS   6  -2.603  -1.273   8.401
   49    H    THR   7           H        THR   7  -6.298  -2.272   7.872
   50    HA   THR   7           HA       THR   7  -7.062  -0.390   9.999
   51    HB   THR   7           HB       THR   7  -9.282  -1.747   9.728
   52    HG1  THR   7           HG1      THR   7  -8.067  -2.251   7.137
   53   1HG2  THR   7          1HG2      THR   7  -8.076   0.112   7.661
   54   2HG2  THR   7          2HG2      THR   7  -9.622  -0.689   7.294
   55   3HG2  THR   7          3HG2      THR   7  -9.486   0.374   8.715
   56    H    VAL   8           H        VAL   8  -4.952  -2.718   9.874
   57    HA   VAL   8           HA       VAL   8  -6.057  -4.201  12.154
   58    HB   VAL   8           HB       VAL   8  -3.780  -4.910  10.294
   59   1HG1  VAL   8          1HG1      VAL   8  -5.172  -6.494  12.479
   60   2HG1  VAL   8          2HG1      VAL   8  -4.001  -7.166  11.321
   61   3HG1  VAL   8          3HG1      VAL   8  -3.489  -5.917  12.480
   62   1HG2  VAL   8          1HG2      VAL   8  -6.654  -5.162   9.980
   63   2HG2  VAL   8          2HG2      VAL   8  -5.347  -5.522   8.826
   64   3HG2  VAL   8          3HG2      VAL   8  -5.870  -6.760   9.993
   65    H    CYS   9           H        CYS   9  -3.151  -2.479  10.864
   66    HA   CYS   9           HA       CYS   9  -2.302  -2.180  13.653
   67   1HB   CYS   9          1HB       CYS   9  -0.007  -1.739  12.475
   68   2HB   CYS   9          2HB       CYS   9  -0.550  -3.366  12.831
   69    H    GLY  10           H        GLY  10  -1.741  -0.669  10.380
   70   1HA   GLY  10          2HA       GLY  10  -2.046   1.976  11.649
   71   2HA   GLY  10          1HA       GLY  10  -2.983   1.559  10.229
   72    H    TYR  11           H        TYR  11  -1.513   0.412   8.461
   73    HA   TYR  11           HA       TYR  11   1.033   1.935   8.216
   74   1HB   TYR  11          1HB       TYR  11   1.320  -0.468   8.142
   75   2HB   TYR  11          2HB       TYR  11   0.044  -0.626   6.924
   76    HD1  TYR  11           HD1      TYR  11   3.282   1.225   7.424
   77    HD2  TYR  11           HD2      TYR  11   0.694  -0.884   4.720
   78    HE1  TYR  11           HE1      TYR  11   4.972   1.458   5.624
   79    HE2  TYR  11           HE2      TYR  11   2.384  -0.651   2.921
   80    HH   TYR  11           HH       TYR  11   4.419   0.197   2.324
   81    H    GLU  12           H        GLU  12   0.582   3.878   7.161
   82    HA   GLU  12           HA       GLU  12  -1.467   3.891   5.179
   83   1HB   GLU  12          1HB       GLU  12  -0.964   6.298   5.009
   84   2HB   GLU  12          2HB       GLU  12  -1.134   5.822   6.686
   85   1HG   GLU  12          1HG       GLU  12   1.570   5.414   6.311
   86   2HG   GLU  12          2HG       GLU  12   1.289   6.753   5.215
   87    H    TYR  13           H        TYR  13  -1.051   2.944   3.291
   88    HA   TYR  13           HA       TYR  13   1.629   2.811   2.177
   89   1HB   TYR  13          1HB       TYR  13   0.134   0.952   1.868
   90   2HB   TYR  13          2HB       TYR  13  -1.118   2.001   1.182
   91    HD1  TYR  13           HD1      TYR  13   2.171   0.411   0.568
   92    HD2  TYR  13           HD2      TYR  13  -1.053   2.694  -1.121
   93    HE1  TYR  13           HE1      TYR  13   3.063  -0.011  -1.707
   94    HE2  TYR  13           HE2      TYR  13  -0.160   2.271  -3.395
   95    HH   TYR  13           HH       TYR  13   2.774   1.401  -4.153
   96    H    ASP  14           H        ASP  14   2.546   4.120   0.576
   97    HA   ASP  14           HA       ASP  14   0.746   6.185  -0.424
   98   1HB   ASP  14          1HB       ASP  14   3.700   6.264   0.306
   99   2HB   ASP  14          2HB       ASP  14   2.990   7.484  -0.731
  100    HA   PRO  15           HA       PRO  15   2.050   4.601  -4.394
  101   1HB   PRO  15          1HB       PRO  15   0.734   6.300  -6.007
  102   2HB   PRO  15          2HB       PRO  15  -0.176   5.267  -4.857
  103   1HG   PRO  15          1HG       PRO  15   0.427   8.364  -4.302
  104   2HG   PRO  15          2HG       PRO  15  -0.901   7.159  -4.273
  105   1HD   PRO  15          1HD       PRO  15   0.987   7.835  -2.160
  106   2HD   PRO  15          2HD       PRO  15  -0.268   6.559  -2.132
  107    H    ALA  16           H        ALA  16   2.724   7.923  -3.252
  108    HA   ALA  16           HA       ALA  16   4.364   8.581  -5.489
  109   1HB   ALA  16          2HB       ALA  16   4.961  10.074  -3.078
  110   2HB   ALA  16          1HB       ALA  16   3.201   9.886  -3.259
  111   3HB   ALA  16          3HB       ALA  16   4.157  10.620  -4.569
  112    H    LYS  17           H        LYS  17   4.763   6.919  -2.374
  113    HA   LYS  17           HA       LYS  17   7.658   6.898  -2.781
  114   1HB   LYS  17          1HB       LYS  17   5.933   7.024  -0.469
  115   2HB   LYS  17          2HB       LYS  17   6.962   5.610  -0.359
  116   1HG   LYS  17          1HG       LYS  17   8.794   7.453  -1.237
  117   2HG   LYS  17          2HG       LYS  17   7.708   8.509  -0.355
  118   1HD   LYS  17          1HD       LYS  17   7.962   7.176   1.687
  119   2HD   LYS  17          2HD       LYS  17   8.864   5.943   0.829
  120   1HE   LYS  17          1HE       LYS  17  10.462   7.336   2.025
  121   2HE   LYS  17          2HE       LYS  17  10.649   7.659   0.313
  122    H    GLY  18           H        GLY  18   4.787   4.755  -2.305
  123   1HA   GLY  18          2HA       GLY  18   6.084   2.723  -3.926
  124   2HA   GLY  18          1HA       GLY  18   4.428   2.746  -3.354
  125    H    ASP  19           H        ASP  19   7.224   1.035  -3.094
  126    HA   ASP  19           HA       ASP  19   7.346   0.733  -0.283
  127   1HB   ASP  19          1HB       ASP  19   5.651  -1.072  -1.935
  128   2HB   ASP  19          2HB       ASP  19   6.796  -1.917  -0.913
  129    HA   PRO  20           HA       PRO  20  11.038  -0.288  -2.965
  130   1HB   PRO  20          1HB       PRO  20  12.390   1.181  -0.732
  131   2HB   PRO  20          2HB       PRO  20  12.470   1.426  -2.507
  132   1HG   PRO  20          1HG       PRO  20  11.075   3.248  -0.951
  133   2HG   PRO  20          2HG       PRO  20  10.683   2.716  -2.619
  134   1HD   PRO  20          1HD       PRO  20   9.588   1.719   0.067
  135   2HD   PRO  20          2HD       PRO  20   8.680   2.199  -1.398
  136    H    ASP  21           H        ASP  21  13.280  -1.266  -1.992
  137    HA   ASP  21           HA       ASP  21  14.291  -2.713  -0.706
  138   1HB   ASP  21          1HB       ASP  21  12.477  -1.573   1.133
  139   2HB   ASP  21          2HB       ASP  21  12.203  -3.297   1.289
  140    H    SER  22           H        SER  22  10.766  -3.476  -0.134
  141    HA   SER  22           HA       SER  22  10.976  -6.164  -0.417
  142   1HB   SER  22          1HB       SER  22   8.612  -4.417  -1.236
  143   2HB   SER  22          2HB       SER  22   8.531  -6.131  -0.879
  144    HG   SER  22           HG       SER  22   8.435  -4.022   0.852
  145    H    GLY  23           H        GLY  23   9.472  -4.036  -2.960
  146   1HA   GLY  23          2HA       GLY  23   9.843  -5.965  -5.012
  147   2HA   GLY  23          1HA       GLY  23  11.096  -4.743  -5.087
  148    H    ILE  24           H        ILE  24   9.766  -2.412  -4.256
  149    HA   ILE  24           HA       ILE  24   7.914  -2.077  -6.492
  150    HB   ILE  24           HB       ILE  24   7.368  -0.925  -3.764
  151   1HG1  ILE  24          1HG1      ILE  24   7.323  -3.406  -3.659
  152   2HG1  ILE  24          2HG1      ILE  24   5.766  -2.661  -3.355
  153   1HG2  ILE  24          1HG2      ILE  24   6.438   0.185  -5.826
  154   2HG2  ILE  24          2HG2      ILE  24   5.505  -1.303  -6.116
  155   3HG2  ILE  24          3HG2      ILE  24   5.232  -0.356  -4.634
  156   1HD1  ILE  24          1HD1      ILE  24   6.271  -3.275  -6.220
  157   2HD1  ILE  24          2HD1      ILE  24   6.188  -4.700  -5.157
  158   3HD1  ILE  24          3HD1      ILE  24   4.819  -3.566  -5.233
  159    H    LYS  25           H        LYS  25   8.125  -0.115  -7.571
  160    HA   LYS  25           HA       LYS  25  10.359   1.521  -6.614
  161   1HB   LYS  25          1HB       LYS  25   9.632   0.443  -9.191
  162   2HB   LYS  25          2HB       LYS  25   9.683   2.192  -9.280
  163   1HG   LYS  25          1HG       LYS  25  11.936   1.865  -9.564
  164   2HG   LYS  25          2HG       LYS  25  11.948   1.757  -7.815
  165   1HD   LYS  25          1HD       LYS  25  13.150  -0.168  -8.715
  166   2HD   LYS  25          2HD       LYS  25  11.662  -0.736  -7.982
  167   1HE   LYS  25          1HE       LYS  25  11.304  -0.024 -10.827
  168   2HE   LYS  25          2HE       LYS  25  12.520  -1.266 -10.603
  169    HA   PRO  26           HA       PRO  26   7.952   4.918  -5.390
  170   1HB   PRO  26          1HB       PRO  26   9.780   6.506  -7.216
  171   2HB   PRO  26          2HB       PRO  26   9.345   6.755  -5.493
  172   1HG   PRO  26          1HG       PRO  26  11.762   5.644  -6.199
  173   2HG   PRO  26          2HG       PRO  26  10.717   5.318  -4.778
  174   1HD   PRO  26          1HD       PRO  26  11.164   3.695  -7.313
  175   2HD   PRO  26          2HD       PRO  26  10.901   3.125  -5.636
  176    H    GLY  27           H        GLY  27   5.922   5.468  -6.180
  177   1HA   GLY  27          2HA       GLY  27   5.713   6.344  -8.954
  178   2HA   GLY  27          1HA       GLY  27   4.502   6.479  -7.695
  179    H    THR  28           H        THR  28   3.924   4.069  -6.739
  180    HA   THR  28           HA       THR  28   3.196   2.526  -9.135
  181    HB   THR  28           HB       THR  28   4.180   1.424  -6.450
  182    HG1  THR  28           HG1      THR  28   5.919   2.290  -7.702
  183   1HG2  THR  28          1HG2      THR  28   2.785   0.218  -8.722
  184   2HG2  THR  28          2HG2      THR  28   4.436  -0.435  -8.593
  185   3HG2  THR  28          3HG2      THR  28   3.321  -0.554  -7.211
  186    H    LYS  29           H        LYS  29   1.066   2.327  -9.375
  187    HA   LYS  29           HA       LYS  29  -0.709   3.362  -7.492
  188   1HB   LYS  29          1HB       LYS  29  -0.990   1.689  -9.979
  189   2HB   LYS  29          2HB       LYS  29  -2.389   2.016  -8.975
  190   1HG   LYS  29          1HG       LYS  29  -2.508   4.194  -9.650
  191   2HG   LYS  29          2HG       LYS  29  -0.787   4.446  -9.440
  192   1HD   LYS  29          1HD       LYS  29  -0.316   4.014 -11.646
  193   2HD   LYS  29          2HD       LYS  29  -1.454   2.684 -11.736
  194   1HE   LYS  29          1HE       LYS  29  -3.027   4.011 -12.697
  195   2HE   LYS  29          2HE       LYS  29  -2.928   5.166 -11.382
  196    H    PHE  30           H        PHE  30  -2.402   2.216  -6.258
  197    HA   PHE  30           HA       PHE  30  -1.223   0.047  -4.819
  198   1HB   PHE  30          1HB       PHE  30  -2.627   1.950  -3.863
  199   2HB   PHE  30          2HB       PHE  30  -4.002   1.373  -4.783
  200    HD1  PHE  30           HD1      PHE  30  -1.711   0.529  -2.010
  201    HD2  PHE  30           HD2      PHE  30  -5.350  -0.407  -3.982
  202    HE1  PHE  30           HE1      PHE  30  -2.360  -0.966  -0.102
  203    HE2  PHE  30           HE2      PHE  30  -5.999  -1.902  -2.073
  204    HZ   PHE  30           HZ       PHE  30  -4.496  -2.164  -0.156
  205    H    GLU  31           H        GLU  31  -2.953   0.240  -7.729
  206    HA   GLU  31           HA       GLU  31  -4.327  -2.264  -7.239
  207   1HB   GLU  31          1HB       GLU  31  -5.088   0.026  -8.612
  208   2HB   GLU  31          2HB       GLU  31  -4.578  -1.023  -9.920
  209   1HG   GLU  31          1HG       GLU  31  -6.315  -2.501  -9.600
  210   2HG   GLU  31          2HG       GLU  31  -6.242  -2.375  -7.854
  211    H    ASP  32           H        ASP  32  -1.460  -0.912  -8.687
  212    HA   ASP  32           HA       ASP  32  -1.147  -3.099 -10.511
  213   1HB   ASP  32          1HB       ASP  32   0.786  -0.874  -9.701
  214   2HB   ASP  32          2HB       ASP  32   1.034  -1.987 -11.033
  215    H    LEU  33           H        LEU  33  -0.950  -2.806  -7.224
  216    HA   LEU  33           HA       LEU  33   1.615  -3.705  -6.576
  217   1HB   LEU  33          1HB       LEU  33  -1.046  -3.857  -5.171
  218   2HB   LEU  33          2HB       LEU  33   0.432  -4.467  -4.455
  219    HG   LEU  33           HG       LEU  33   0.172  -1.611  -5.408
  220   1HD1  LEU  33          1HD1      LEU  33  -1.613  -2.188  -3.739
  221   2HD1  LEU  33          2HD1      LEU  33  -0.317  -2.558  -2.576
  222   3HD1  LEU  33          3HD1      LEU  33  -0.485  -0.910  -3.228
  223   1HD2  LEU  33          1HD2      LEU  33   2.373  -3.075  -4.608
  224   2HD2  LEU  33          2HD2      LEU  33   2.240  -1.300  -4.632
  225   3HD2  LEU  33          3HD2      LEU  33   1.908  -2.197  -3.131
  226    HA   PRO  34           HA       PRO  34   2.107  -7.818  -7.856
  227   1HB   PRO  34          1HB       PRO  34   2.667  -8.330  -4.911
  228   2HB   PRO  34          2HB       PRO  34   3.582  -8.819  -6.374
  229   1HG   PRO  34          1HG       PRO  34   4.359  -6.654  -4.861
  230   2HG   PRO  34          2HG       PRO  34   4.504  -6.842  -6.639
  231   1HD   PRO  34          1HD       PRO  34   2.581  -5.184  -4.984
  232   2HD   PRO  34          2HD       PRO  34   3.240  -4.863  -6.617
  233    H    ASP  35           H        ASP  35   1.190 -10.088  -7.420
  234    HA   ASP  35           HA       ASP  35  -1.484  -9.719  -6.384
  235   1HB   ASP  35          1HB       ASP  35  -0.259 -12.067  -7.908
  236   2HB   ASP  35          2HB       ASP  35  -1.959 -11.882  -7.525
  237    H    ASP  36           H        ASP  36   1.106 -10.076  -4.748
  238    HA   ASP  36           HA       ASP  36   0.074 -12.206  -3.110
  239   1HB   ASP  36          1HB       ASP  36   2.495 -13.051  -2.803
  240   2HB   ASP  36          2HB       ASP  36   1.686 -13.493  -4.294
  241    H    TRP  37           H        TRP  37   0.500  -9.131  -3.232
  242    HA   TRP  37           HA       TRP  37   2.485  -8.675  -1.181
  243   1HB   TRP  37          1HB       TRP  37   2.177  -7.155  -3.121
  244   2HB   TRP  37          2HB       TRP  37   0.581  -6.747  -2.522
  245    HD1  TRP  37           HD1      TRP  37   4.295  -6.119  -1.746
  246    HE1  TRP  37           HE1      TRP  37   4.597  -4.134  -0.033
  247    HE3  TRP  37           HE3      TRP  37  -0.645  -5.619  -0.646
  248    HZ2  TRP  37           HZ2      TRP  37   2.778  -2.612   1.554
  249    HZ3  TRP  37           HZ3      TRP  37  -1.297  -3.860   0.995
  250    HH2  TRP  37           HH2      TRP  37   0.323  -2.386   2.081
  251    H    ALA  38           H        ALA  38   1.998  -8.022   0.972
  252    HA   ALA  38           HA       ALA  38  -0.787  -7.844   1.738
  253   1HB   ALA  38          1HB       ALA  38   1.080 -10.012   2.780
  254   2HB   ALA  38          3HB       ALA  38  -0.407 -10.253   1.832
  255   3HB   ALA  38          2HB       ALA  38  -0.502  -9.605   3.487
  256    H    CYS  39           H        CYS  39  -1.034  -6.911   3.897
  257    HA   CYS  39           HA       CYS  39   0.538  -4.811   4.417
  258   1HB   CYS  39          1HB       CYS  39  -1.618  -5.227   5.486
  259   2HB   CYS  39          2HB       CYS  39  -0.918  -6.507   6.457
  260    HA   PRO  40           HA       PRO  40   4.317  -7.101   5.413
  261   1HB   PRO  40          1HB       PRO  40   5.519  -4.397   5.085
  262   2HB   PRO  40          2HB       PRO  40   5.807  -5.914   4.173
  263   1HG   PRO  40          1HG       PRO  40   4.391  -3.799   2.900
  264   2HG   PRO  40          2HG       PRO  40   4.302  -5.588   2.794
  265   1HD   PRO  40          1HD       PRO  40   2.644  -3.665   4.536
  266   2HD   PRO  40          2HD       PRO  40   2.045  -4.845   3.331
  267    H    VAL  41           H        VAL  41   2.433  -4.773   7.061
  268    HA   VAL  41           HA       VAL  41   4.413  -4.287   9.117
  269    HB   VAL  41           HB       VAL  41   1.502  -3.490   8.932
  270   1HG1  VAL  41          1HG1      VAL  41   3.726  -2.853  10.844
  271   2HG1  VAL  41          2HG1      VAL  41   2.506  -1.608  10.485
  272   3HG1  VAL  41          3HG1      VAL  41   2.004  -3.177  11.161
  273   1HG2  VAL  41          1HG2      VAL  41   3.846  -2.514   7.517
  274   2HG2  VAL  41          2HG2      VAL  41   2.130  -2.091   7.307
  275   3HG2  VAL  41          3HG2      VAL  41   3.115  -1.237   8.519
  276    H    CYS  42           H        CYS  42   0.997  -5.542   9.103
  277    HA   CYS  42           HA       CYS  42   1.760  -7.191  11.383
  278   1HB   CYS  42          1HB       CYS  42  -0.637  -7.435  11.784
  279   2HB   CYS  42          2HB       CYS  42  -0.127  -5.759  11.787
  280    H    GLY  43           H        GLY  43   0.279  -7.210   8.091
  281   1HA   GLY  43          2HA       GLY  43   0.430 -10.158   8.084
  282   2HA   GLY  43          1HA       GLY  43   1.183  -9.211   6.817
  283    H    ALA  44           H        ALA  44  -1.861  -8.239   8.431
  284    HA   ALA  44           HA       ALA  44  -3.864  -9.323   7.200
  285   1HB   ALA  44          1HB       ALA  44  -3.642  -7.068   8.547
  286   2HB   ALA  44          2HB       ALA  44  -3.694  -6.325   6.931
  287   3HB   ALA  44          3HB       ALA  44  -5.048  -7.336   7.489
  288    H    SER  45           H        SER  45  -4.749  -9.682   5.183
  289    HA   SER  45           HA       SER  45  -3.119  -9.601   3.003
  290   1HB   SER  45          1HB       SER  45  -5.476 -10.759   3.510
  291   2HB   SER  45          2HB       SER  45  -6.105  -9.378   2.632
  292    HG   SER  45           HG       SER  45  -5.674 -11.186   1.217
  293    H    LYS  46           H        LYS  46  -4.490  -8.440   0.832
  294    HA   LYS  46           HA       LYS  46  -3.930  -5.638   1.344
  295   1HB   LYS  46          1HB       LYS  46  -2.942  -6.945  -0.593
  296   2HB   LYS  46          2HB       LYS  46  -4.547  -6.986  -1.296
  297   1HG   LYS  46          1HG       LYS  46  -4.649  -4.527  -1.348
  298   2HG   LYS  46          2HG       LYS  46  -3.131  -4.406  -0.480
  299   1HD   LYS  46          1HD       LYS  46  -2.073  -4.380  -2.486
  300   2HD   LYS  46          2HD       LYS  46  -2.518  -6.064  -2.677
  301   1HE   LYS  46          1HE       LYS  46  -4.505  -3.885  -3.398
  302   2HE   LYS  46          2HE       LYS  46  -3.233  -4.315  -4.524
  303    H    ASP  47           H        ASP  47  -6.356  -7.063   2.445
  304    HA   ASP  47           HA       ASP  47  -8.336  -5.438   1.050
  305   1HB   ASP  47          1HB       ASP  47  -8.463  -8.115   1.232
  306   2HB   ASP  47          2HB       ASP  47  -9.097  -7.761   2.828
  307    H    ALA  48           H        ALA  48  -6.402  -5.769   3.800
  308    HA   ALA  48           HA       ALA  48  -8.408  -4.884   5.705
  309   1HB   ALA  48          3HB       ALA  48  -6.690  -5.250   7.348
  310   2HB   ALA  48          2HB       ALA  48  -5.424  -5.316   6.098
  311   3HB   ALA  48          1HB       ALA  48  -6.629  -6.621   6.215
  312    H    PHE  49           H        PHE  49  -7.314  -3.329   3.221
  313    HA   PHE  49           HA       PHE  49  -6.417  -0.978   4.734
  314   1HB   PHE  49          1HB       PHE  49  -5.924  -2.098   1.929
  315   2HB   PHE  49          2HB       PHE  49  -5.661  -0.393   2.237
  316    HD1  PHE  49           HD1      PHE  49  -4.494  -3.790   2.995
  317    HD2  PHE  49           HD2      PHE  49  -3.777   0.357   3.539
  318    HE1  PHE  49           HE1      PHE  49  -2.187  -4.299   3.842
  319    HE2  PHE  49           HE2      PHE  49  -1.470  -0.152   4.386
  320    HZ   PHE  49           HZ       PHE  49  -0.702  -2.474   4.527
  321    H    GLU  50           H        GLU  50  -7.263   1.116   4.080
  322    HA   GLU  50           HA       GLU  50  -9.313   1.204   2.133
  323   1HB   GLU  50          1HB       GLU  50 -10.851   0.359   3.676
  324   2HB   GLU  50          2HB       GLU  50 -10.023   1.055   5.055
  325   1HG   GLU  50          1HG       GLU  50 -10.869   3.258   4.598
  326   2HG   GLU  50          2HG       GLU  50 -11.349   2.828   2.968
  327    H    LYS  51           H        LYS  51  -9.857   3.397   1.572
  328    HA   LYS  51           HA       LYS  51  -7.931   5.248   1.735
  329   1HB   LYS  51          1HB       LYS  51 -10.370   5.137   0.593
  330   2HB   LYS  51          2HB       LYS  51 -10.715   6.297   1.860
  331   1HG   LYS  51          1HG       LYS  51  -9.177   7.876   1.037
  332   2HG   LYS  51          2HG       LYS  51  -8.189   6.664   0.246
  333   1HD   LYS  51          1HD       LYS  51 -10.992   6.881  -0.772
  334   2HD   LYS  51          2HD       LYS  51  -9.982   8.283  -1.066
  335   1HE   LYS  51          1HE       LYS  51  -8.300   6.920  -2.214
  336   2HE   LYS  51          2HE       LYS  51  -9.115   5.438  -1.756
  337    H    GLN  52           H        GLN  52  -6.804   5.753   3.561
  338    HA   GLN  52           HA       GLN  52  -8.342   7.068   5.619
  339   1HB   GLN  52          1HB       GLN  52  -7.226   4.423   5.935
  340   2HB   GLN  52          2HB       GLN  52  -6.338   5.520   6.974
  341   1HG   GLN  52          1HG       GLN  52  -9.388   5.385   6.885
  342   2HG   GLN  52          2HG       GLN  52  -8.415   4.484   8.030
  343   2HE2  GLN  52          2HE2      GLN  52  -9.798   7.490   7.186
  344   1HE2  GLN  52          1HE2      GLN  52  -9.244   8.441   8.523

  No H/Q in entry =         344
  Start of MODEL   19
    1    H1   MET   1          1H        MET   1  -8.145  11.473  -0.384
    2    H2   MET   1          2H        MET   1  -6.867  11.366   0.663
    3    H3   MET   1          3H        MET   1  -7.235  12.815  -0.049
    4    HA   MET   1           HA       MET   1  -6.759  11.987  -2.160
    5   1HB   MET   1          1HB       MET   1  -4.759  12.030   0.087
    6   2HB   MET   1          2HB       MET   1  -4.181  11.330  -1.413
    7   1HG   MET   1          1HG       MET   1  -3.830  13.434  -2.195
    8   2HG   MET   1          2HG       MET   1  -5.565  13.677  -2.205
    9   1HE   MET   1          1HE       MET   1  -6.880  14.560  -0.792
   10   2HE   MET   1          2HE       MET   1  -6.610  14.912   0.932
   11   3HE   MET   1          3HE       MET   1  -6.343  16.181  -0.288
   12    H    ASP   2           H        ASP   2  -5.047  10.236  -3.162
   13    HA   ASP   2           HA       ASP   2  -6.409   7.792  -2.879
   14   1HB   ASP   2          1HB       ASP   2  -3.719   8.219  -4.243
   15   2HB   ASP   2          2HB       ASP   2  -4.916   6.996  -4.619
   16    H    ILE   3           H        ILE   3  -5.731   7.982  -0.350
   17    HA   ILE   3           HA       ILE   3  -3.142   6.636  -0.019
   18    HB   ILE   3           HB       ILE   3  -4.691   8.512   1.748
   19   1HG1  ILE   3          1HG1      ILE   3  -1.778   8.796   1.361
   20   2HG1  ILE   3          2HG1      ILE   3  -2.725   8.981  -0.102
   21   1HG2  ILE   3          1HG2      ILE   3  -3.974   6.508   3.056
   22   2HG2  ILE   3          2HG2      ILE   3  -2.292   6.877   2.606
   23   3HG2  ILE   3          3HG2      ILE   3  -3.227   8.035   3.582
   24   1HD1  ILE   3          1HD1      ILE   3  -4.258  10.468   1.588
   25   2HD1  ILE   3          2HD1      ILE   3  -2.666  10.687   2.353
   26   3HD1  ILE   3          3HD1      ILE   3  -2.907  11.150   0.651
   27    H    TYR   4           H        TYR   4  -3.022   4.881   1.417
   28    HA   TYR   4           HA       TYR   4  -5.615   3.654   2.180
   29   1HB   TYR   4          1HB       TYR   4  -3.388   2.414   0.543
   30   2HB   TYR   4          2HB       TYR   4  -4.607   1.451   1.395
   31    HD1  TYR   4           HD1      TYR   4  -4.134   4.032  -1.251
   32    HD2  TYR   4           HD2      TYR   4  -6.769   1.119   0.486
   33    HE1  TYR   4           HE1      TYR   4  -5.675   4.278  -3.178
   34    HE2  TYR   4           HE2      TYR   4  -8.310   1.364  -1.441
   35    HH   TYR   4           HH       TYR   4  -8.781   3.367  -3.254
   36    H    VAL   5           H        VAL   5  -5.562   3.113   4.342
   37    HA   VAL   5           HA       VAL   5  -2.893   2.563   5.445
   38    HB   VAL   5           HB       VAL   5  -3.940   4.710   6.150
   39   1HG1  VAL   5          1HG1      VAL   5  -6.169   2.880   6.807
   40   2HG1  VAL   5          2HG1      VAL   5  -5.780   4.081   8.063
   41   3HG1  VAL   5          3HG1      VAL   5  -6.181   4.616   6.413
   42   1HG2  VAL   5          1HG2      VAL   5  -3.094   2.524   7.978
   43   2HG2  VAL   5          2HG2      VAL   5  -2.412   4.150   7.735
   44   3HG2  VAL   5          3HG2      VAL   5  -3.867   3.936   8.737
   45    H    CYS   6           H        CYS   6  -2.700   0.807   6.910
   46    HA   CYS   6           HA       CYS   6  -4.574  -1.265   6.409
   47   1HB   CYS   6          1HB       CYS   6  -2.126  -1.612   6.645
   48   2HB   CYS   6          2HB       CYS   6  -2.250  -1.204   8.344
   49    H    THR   7           H        THR   7  -5.964  -2.295   8.002
   50    HA   THR   7           HA       THR   7  -6.671  -0.479  10.201
   51    HB   THR   7           HB       THR   7  -8.839  -1.923  10.051
   52    HG1  THR   7           HG1      THR   7  -8.690  -3.479   8.479
   53   1HG2  THR   7          1HG2      THR   7  -7.832   0.101   8.100
   54   2HG2  THR   7          2HG2      THR   7  -9.159  -0.919   7.494
   55   3HG2  THR   7          3HG2      THR   7  -9.383   0.047   8.972
   56    H    VAL   8           H        VAL   8  -4.465  -2.705   9.936
   57    HA   VAL   8           HA       VAL   8  -5.361  -4.242  12.271
   58    HB   VAL   8           HB       VAL   8  -3.164  -4.849  10.283
   59   1HG1  VAL   8          1HG1      VAL   8  -4.014  -6.058  12.830
   60   2HG1  VAL   8          2HG1      VAL   8  -3.875  -7.216  11.485
   61   3HG1  VAL   8          3HG1      VAL   8  -2.480  -6.209  11.941
   62   1HG2  VAL   8          1HG2      VAL   8  -6.078  -5.423  10.274
   63   2HG2  VAL   8          2HG2      VAL   8  -4.929  -5.277   8.922
   64   3HG2  VAL   8          3HG2      VAL   8  -5.008  -6.785   9.864
   65    H    CYS   9           H        CYS   9  -2.643  -2.359  10.817
   66    HA   CYS   9           HA       CYS   9  -1.619  -2.052  13.547
   67   1HB   CYS   9          1HB       CYS   9   0.566  -1.478  12.235
   68   2HB   CYS   9          2HB       CYS   9   0.126  -3.139  12.578
   69    H    GLY  10           H        GLY  10  -1.383  -0.475  10.265
   70   1HA   GLY  10          2HA       GLY  10  -1.881   2.119  11.599
   71   2HA   GLY  10          1HA       GLY  10  -2.675   1.661  10.106
   72    H    TYR  11           H        TYR  11  -1.008   0.723   8.408
   73    HA   TYR  11           HA       TYR  11   1.368   2.523   8.361
   74   1HB   TYR  11          1HB       TYR  11   2.189   0.338   8.312
   75   2HB   TYR  11          2HB       TYR  11   0.836  -0.257   7.334
   76    HD1  TYR  11           HD1      TYR  11   3.936   1.810   7.225
   77    HD2  TYR  11           HD2      TYR  11   0.955  -0.306   4.970
   78    HE1  TYR  11           HE1      TYR  11   5.304   2.071   5.173
   79    HE2  TYR  11           HE2      TYR  11   2.322  -0.045   2.917
   80    HH   TYR  11           HH       TYR  11   4.424   1.956   2.277
   81    H    GLU  12           H        GLU  12   0.220   4.361   7.441
   82    HA   GLU  12           HA       GLU  12  -1.505   4.148   5.323
   83   1HB   GLU  12          1HB       GLU  12  -0.836   6.585   4.894
   84   2HB   GLU  12          2HB       GLU  12  -1.410   6.215   6.508
   85   1HG   GLU  12          1HG       GLU  12   1.467   5.768   6.372
   86   2HG   GLU  12          2HG       GLU  12   1.096   7.372   5.774
   87    H    TYR  13           H        TYR  13  -1.058   3.044   3.525
   88    HA   TYR  13           HA       TYR  13   1.584   2.852   2.391
   89   1HB   TYR  13          1HB       TYR  13  -0.015   1.048   2.158
   90   2HB   TYR  13          2HB       TYR  13  -1.177   2.125   1.364
   91    HD1  TYR  13           HD1      TYR  13   1.948   0.214   0.968
   92    HD2  TYR  13           HD2      TYR  13  -0.890   2.800  -0.958
   93    HE1  TYR  13           HE1      TYR  13   2.905  -0.380  -1.242
   94    HE2  TYR  13           HE2      TYR  13   0.067   2.206  -3.167
   95    HH   TYR  13           HH       TYR  13   2.551   1.273  -3.972
   96    H    ASP  14           H        ASP  14   2.492   3.944   0.589
   97    HA   ASP  14           HA       ASP  14   0.783   6.056  -0.465
   98   1HB   ASP  14          1HB       ASP  14   3.379   6.220   0.886
   99   2HB   ASP  14          2HB       ASP  14   3.489   6.884  -0.731
  100    HA   PRO  15           HA       PRO  15   2.226   4.288  -4.310
  101   1HB   PRO  15          1HB       PRO  15   0.952   5.903  -6.041
  102   2HB   PRO  15          2HB       PRO  15   0.013   4.913  -4.877
  103   1HG   PRO  15          1HG       PRO  15   0.499   8.056  -4.437
  104   2HG   PRO  15          2HG       PRO  15  -0.731   6.750  -4.407
  105   1HD   PRO  15          1HD       PRO  15   1.103   7.632  -2.285
  106   2HD   PRO  15          2HD       PRO  15  -0.159   6.366  -2.201
  107    H    ALA  16           H        ALA  16   2.849   7.660  -3.299
  108    HA   ALA  16           HA       ALA  16   4.561   8.215  -5.515
  109   1HB   ALA  16          3HB       ALA  16   4.977  10.284  -4.360
  110   2HB   ALA  16          1HB       ALA  16   3.255   9.896  -4.133
  111   3HB   ALA  16          2HB       ALA  16   4.415   9.605  -2.814
  112    H    LYS  17           H        LYS  17   4.836   6.671  -2.342
  113    HA   LYS  17           HA       LYS  17   7.751   6.670  -2.627
  114   1HB   LYS  17          1HB       LYS  17   6.106   7.195  -0.433
  115   2HB   LYS  17          2HB       LYS  17   6.684   5.566  -0.146
  116   1HG   LYS  17          1HG       LYS  17   9.022   6.288  -0.414
  117   2HG   LYS  17          2HG       LYS  17   8.513   7.895  -0.893
  118   1HD   LYS  17          1HD       LYS  17   7.668   8.403   1.305
  119   2HD   LYS  17          2HD       LYS  17   7.713   6.722   1.799
  120   1HE   LYS  17          1HE       LYS  17  10.262   8.169   0.987
  121   2HE   LYS  17          2HE       LYS  17   9.629   8.318   2.614
  122    H    GLY  18           H        GLY  18   4.833   4.600  -2.278
  123   1HA   GLY  18          2HA       GLY  18   6.137   2.473  -3.703
  124   2HA   GLY  18          1HA       GLY  18   4.502   2.501  -3.075
  125    H    ASP  19           H        ASP  19   7.155   0.692  -2.874
  126    HA   ASP  19           HA       ASP  19   7.455   0.585  -0.041
  127   1HB   ASP  19          1HB       ASP  19   5.531  -0.777  -0.007
  128   2HB   ASP  19          2HB       ASP  19   5.850  -1.446  -1.595
  129    HA   PRO  20           HA       PRO  20  11.068  -0.773  -2.578
  130   1HB   PRO  20          1HB       PRO  20  12.921   0.787  -1.329
  131   2HB   PRO  20          2HB       PRO  20  11.774   1.460  -2.533
  132   1HG   PRO  20          1HG       PRO  20  11.646   1.501   0.346
  133   2HG   PRO  20          2HG       PRO  20  11.290   2.894  -0.727
  134   1HD   PRO  20          1HD       PRO  20   9.319   1.344   0.426
  135   2HD   PRO  20          2HD       PRO  20   9.127   2.066  -1.201
  136    H    ASP  21           H        ASP  21   9.924  -2.522  -0.703
  137    HA   ASP  21           HA       ASP  21  12.287  -3.158   0.874
  138   1HB   ASP  21          1HB       ASP  21   9.370  -3.502   1.716
  139   2HB   ASP  21          2HB       ASP  21  10.748  -4.065   2.641
  140    H    SER  22           H        SER  22   9.060  -4.334  -0.352
  141    HA   SER  22           HA       SER  22  10.024  -7.019  -0.421
  142   1HB   SER  22          1HB       SER  22   7.414  -5.624  -0.951
  143   2HB   SER  22          2HB       SER  22   7.650  -7.194  -1.692
  144    HG   SER  22           HG       SER  22   8.396  -7.782   0.659
  145    H    GLY  23           H        GLY  23   8.894  -4.527  -2.815
  146   1HA   GLY  23          2HA       GLY  23   9.631  -6.116  -5.081
  147   2HA   GLY  23          1HA       GLY  23  10.838  -4.903  -4.704
  148    H    ILE  24           H        ILE  24   9.168  -2.811  -3.672
  149    HA   ILE  24           HA       ILE  24   7.739  -2.099  -6.134
  150    HB   ILE  24           HB       ILE  24   6.849  -1.454  -3.322
  151   1HG1  ILE  24          1HG1      ILE  24   6.605  -3.849  -3.779
  152   2HG1  ILE  24          2HG1      ILE  24   5.050  -3.051  -3.657
  153   1HG2  ILE  24          1HG2      ILE  24   6.348  -0.013  -5.560
  154   2HG2  ILE  24          2HG2      ILE  24   5.004  -1.179  -5.615
  155   3HG2  ILE  24          3HG2      ILE  24   5.230  -0.148  -4.181
  156   1HD1  ILE  24          1HD1      ILE  24   5.918  -2.919  -6.412
  157   2HD1  ILE  24          2HD1      ILE  24   6.058  -4.599  -5.841
  158   3HD1  ILE  24          3HD1      ILE  24   4.497  -3.750  -5.735
  159    H    LYS  25           H        LYS  25   8.213  -0.093  -6.965
  160    HA   LYS  25           HA       LYS  25  10.216   1.413  -5.450
  161   1HB   LYS  25          1HB       LYS  25   9.887   0.690  -8.257
  162   2HB   LYS  25          2HB       LYS  25  10.105   2.417  -8.055
  163   1HG   LYS  25          1HG       LYS  25  12.010   1.505  -6.309
  164   2HG   LYS  25          2HG       LYS  25  12.001   0.178  -7.454
  165   1HD   LYS  25          1HD       LYS  25  13.256   1.413  -8.878
  166   2HD   LYS  25          2HD       LYS  25  11.942   2.564  -9.024
  167   1HE   LYS  25          1HE       LYS  25  13.692   3.926  -8.234
  168   2HE   LYS  25          2HE       LYS  25  12.839   3.544  -6.752
  169    HA   PRO  26           HA       PRO  26   7.724   4.982  -5.019
  170   1HB   PRO  26          1HB       PRO  26   9.572   6.732  -6.551
  171   2HB   PRO  26          2HB       PRO  26   9.245   6.653  -4.789
  172   1HG   PRO  26          1HG       PRO  26  11.739   5.721  -5.789
  173   2HG   PRO  26          2HG       PRO  26  10.819   5.135  -4.365
  174   1HD   PRO  26          1HD       PRO  26  10.793   4.112  -7.263
  175   2HD   PRO  26          2HD       PRO  26  11.065   3.178  -5.761
  176    H    GLY  27           H        GLY  27   5.879   5.787  -6.055
  177   1HA   GLY  27          2HA       GLY  27   6.031   6.400  -8.899
  178   2HA   GLY  27          1HA       GLY  27   4.715   6.748  -7.795
  179    H    THR  28           H        THR  28   4.120   4.288  -6.636
  180    HA   THR  28           HA       THR  28   3.299   2.729  -8.995
  181    HB   THR  28           HB       THR  28   4.177   1.647  -6.266
  182    HG1  THR  28           HG1      THR  28   6.045   2.333  -7.359
  183   1HG2  THR  28          1HG2      THR  28   2.792   0.454  -8.518
  184   2HG2  THR  28          2HG2      THR  28   4.449  -0.193  -8.463
  185   3HG2  THR  28          3HG2      THR  28   3.386  -0.348  -7.044
  186    H    LYS  29           H        LYS  29   1.164   2.577  -9.239
  187    HA   LYS  29           HA       LYS  29  -0.550   3.697  -7.290
  188   1HB   LYS  29          1HB       LYS  29  -1.084   2.128  -9.827
  189   2HB   LYS  29          2HB       LYS  29  -2.341   2.859  -8.849
  190   1HG   LYS  29          1HG       LYS  29   0.021   4.443  -9.956
  191   2HG   LYS  29          2HG       LYS  29  -1.494   4.270 -10.820
  192   1HD   LYS  29          1HD       LYS  29  -1.991   5.064  -8.047
  193   2HD   LYS  29          2HD       LYS  29  -0.875   6.180  -8.809
  194   1HE   LYS  29          1HE       LYS  29  -2.439   6.598 -10.649
  195   2HE   LYS  29          2HE       LYS  29  -3.509   5.325 -10.097
  196    H    PHE  30           H        PHE  30  -2.146   2.662  -5.973
  197    HA   PHE  30           HA       PHE  30  -1.209   0.273  -4.801
  198   1HB   PHE  30          1HB       PHE  30  -2.523   2.218  -3.745
  199   2HB   PHE  30          2HB       PHE  30  -3.928   1.711  -4.662
  200    HD1  PHE  30           HD1      PHE  30  -1.567   0.624  -2.022
  201    HD2  PHE  30           HD2      PHE  30  -5.340   0.004  -3.862
  202    HE1  PHE  30           HE1      PHE  30  -2.215  -0.936  -0.166
  203    HE2  PHE  30           HE2      PHE  30  -5.988  -1.557  -2.006
  204    HZ   PHE  30           HZ       PHE  30  -4.418  -2.008  -0.180
  205    H    GLU  31           H        GLU  31  -2.849   0.780  -7.708
  206    HA   GLU  31           HA       GLU  31  -4.385  -1.666  -7.420
  207   1HB   GLU  31          1HB       GLU  31  -4.774   0.826  -8.848
  208   2HB   GLU  31          2HB       GLU  31  -4.776  -0.493 -10.002
  209   1HG   GLU  31          1HG       GLU  31  -6.666  -1.507  -9.067
  210   2HG   GLU  31          2HG       GLU  31  -6.342  -0.887  -7.460
  211    H    ASP  32           H        ASP  32  -1.412  -0.405  -8.660
  212    HA   ASP  32           HA       ASP  32  -1.223  -2.383 -10.728
  213   1HB   ASP  32          1HB       ASP  32   0.828  -0.395  -9.642
  214   2HB   ASP  32          2HB       ASP  32   1.062  -1.392 -11.064
  215    H    LEU  33           H        LEU  33  -1.011  -2.391  -7.399
  216    HA   LEU  33           HA       LEU  33   1.440  -3.576  -6.833
  217   1HB   LEU  33          1HB       LEU  33  -1.249  -3.702  -5.475
  218   2HB   LEU  33          2HB       LEU  33   0.189  -4.451  -4.811
  219    HG   LEU  33           HG       LEU  33   0.066  -1.505  -5.482
  220   1HD1  LEU  33          1HD1      LEU  33  -0.879  -2.949  -3.019
  221   2HD1  LEU  33          2HD1      LEU  33  -0.228  -1.295  -2.915
  222   3HD1  LEU  33          3HD1      LEU  33  -1.653  -1.629  -3.929
  223   1HD2  LEU  33          1HD2      LEU  33   2.192  -3.160  -4.807
  224   2HD2  LEU  33          2HD2      LEU  33   2.157  -1.382  -4.730
  225   3HD2  LEU  33          3HD2      LEU  33   1.776  -2.344  -3.281
  226    HA   PRO  34           HA       PRO  34   1.292  -7.567  -8.576
  227   1HB   PRO  34          1HB       PRO  34   2.803  -8.920  -6.688
  228   2HB   PRO  34          2HB       PRO  34   3.490  -7.765  -7.877
  229   1HG   PRO  34          1HG       PRO  34   2.598  -7.430  -5.268
  230   2HG   PRO  34          2HG       PRO  34   4.212  -6.729  -5.620
  231   1HD   PRO  34          1HD       PRO  34   2.270  -5.009  -5.560
  232   2HD   PRO  34          2HD       PRO  34   3.133  -5.071  -7.126
  233    H    ASP  35           H        ASP  35   0.498  -9.845  -8.073
  234    HA   ASP  35           HA       ASP  35  -1.701  -9.602  -6.242
  235   1HB   ASP  35          1HB       ASP  35  -0.852 -11.686  -8.293
  236   2HB   ASP  35          2HB       ASP  35  -2.184 -11.983  -7.194
  237    H    ASP  36           H        ASP  36  -0.601  -9.750  -4.163
  238    HA   ASP  36           HA       ASP  36  -0.456 -12.057  -2.934
  239   1HB   ASP  36          1HB       ASP  36   1.910 -11.781  -4.694
  240   2HB   ASP  36          2HB       ASP  36   2.344 -12.090  -3.024
  241    H    TRP  37           H        TRP  37   0.999  -8.914  -3.623
  242    HA   TRP  37           HA       TRP  37   2.556  -8.405  -1.451
  243   1HB   TRP  37          1HB       TRP  37   2.224  -6.907  -3.371
  244   2HB   TRP  37          2HB       TRP  37   0.615  -6.516  -2.796
  245    HD1  TRP  37           HD1      TRP  37   4.283  -5.680  -2.138
  246    HE1  TRP  37           HE1      TRP  37   4.541  -3.691  -0.424
  247    HE3  TRP  37           HE3      TRP  37  -0.613  -5.527  -0.775
  248    HZ2  TRP  37           HZ2      TRP  37   2.709  -2.308   1.273
  249    HZ3  TRP  37           HZ3      TRP  37  -1.295  -3.827   0.917
  250    HH2  TRP  37           HH2      TRP  37   0.275  -2.253   1.931
  251    H    ALA  38           H        ALA  38   2.217  -8.041   0.738
  252    HA   ALA  38           HA       ALA  38  -0.550  -7.740   1.629
  253   1HB   ALA  38          1HB       ALA  38   1.158 -10.095   1.964
  254   2HB   ALA  38          2HB       ALA  38   0.631  -9.421   3.525
  255   3HB   ALA  38          3HB       ALA  38  -0.577  -9.891   2.305
  256    H    CYS  39           H        CYS  39  -0.697  -6.809   3.817
  257    HA   CYS  39           HA       CYS  39   0.829  -4.632   4.190
  258   1HB   CYS  39          1HB       CYS  39  -1.255  -5.097   5.383
  259   2HB   CYS  39          2HB       CYS  39  -0.454  -6.322   6.347
  260    HA   PRO  40           HA       PRO  40   4.723  -6.772   5.048
  261   1HB   PRO  40          1HB       PRO  40   5.838  -4.056   4.581
  262   2HB   PRO  40          2HB       PRO  40   6.095  -5.587   3.681
  263   1HG   PRO  40          1HG       PRO  40   4.552  -3.513   2.462
  264   2HG   PRO  40          2HG       PRO  40   4.506  -5.305   2.388
  265   1HD   PRO  40          1HD       PRO  40   2.909  -3.401   4.207
  266   2HD   PRO  40          2HD       PRO  40   2.266  -4.608   3.052
  267    H    VAL  41           H        VAL  41   2.856  -4.466   6.736
  268    HA   VAL  41           HA       VAL  41   4.931  -3.850   8.661
  269    HB   VAL  41           HB       VAL  41   1.988  -3.152   8.604
  270   1HG1  VAL  41          1HG1      VAL  41   3.306  -3.072  10.825
  271   2HG1  VAL  41          2HG1      VAL  41   4.154  -1.681  10.108
  272   3HG1  VAL  41          3HG1      VAL  41   2.390  -1.626  10.337
  273   1HG2  VAL  41          1HG2      VAL  41   4.088  -2.236   6.927
  274   2HG2  VAL  41          2HG2      VAL  41   2.428  -1.608   7.058
  275   3HG2  VAL  41          3HG2      VAL  41   3.721  -0.922   8.071
  276    H    CYS  42           H        CYS  42   1.603  -5.324   8.767
  277    HA   CYS  42           HA       CYS  42   2.539  -6.851  11.077
  278   1HB   CYS  42          1HB       CYS  42   0.176  -7.165  11.624
  279   2HB   CYS  42          2HB       CYS  42   0.638  -5.475  11.580
  280    H    GLY  43           H        GLY  43   0.906  -6.972   7.865
  281   1HA   GLY  43          2HA       GLY  43   1.111  -9.917   7.911
  282   2HA   GLY  43          1HA       GLY  43   1.792  -8.982   6.594
  283    H    ALA  44           H        ALA  44  -1.189  -7.994   8.300
  284    HA   ALA  44           HA       ALA  44  -3.227  -9.151   7.184
  285   1HB   ALA  44          1HB       ALA  44  -2.685  -6.170   7.366
  286   2HB   ALA  44          3HB       ALA  44  -3.571  -7.203   8.514
  287   3HB   ALA  44          2HB       ALA  44  -4.280  -6.827   6.924
  288    H    SER  45           H        SER  45  -4.234  -9.512   5.213
  289    HA   SER  45           HA       SER  45  -2.639  -9.356   2.956
  290   1HB   SER  45          1HB       SER  45  -5.672  -9.593   2.932
  291   2HB   SER  45          2HB       SER  45  -4.540 -10.251   1.767
  292    HG   SER  45           HG       SER  45  -5.149 -11.957   3.114
  293    H    LYS  46           H        LYS  46  -4.199  -8.415   0.829
  294    HA   LYS  46           HA       LYS  46  -4.038  -5.555   1.310
  295   1HB   LYS  46          1HB       LYS  46  -2.931  -6.816  -0.647
  296   2HB   LYS  46          2HB       LYS  46  -4.538  -6.922  -1.335
  297   1HG   LYS  46          1HG       LYS  46  -4.763  -4.435  -1.205
  298   2HG   LYS  46          2HG       LYS  46  -3.162  -4.323  -0.503
  299   1HD   LYS  46          1HD       LYS  46  -2.655  -3.941  -2.748
  300   2HD   LYS  46          2HD       LYS  46  -2.418  -5.676  -2.668
  301   1HE   LYS  46          1HE       LYS  46  -5.045  -4.362  -3.511
  302   2HE   LYS  46          2HE       LYS  46  -3.819  -4.898  -4.642
  303    H    ASP  47           H        ASP  47  -6.167  -6.990   2.639
  304    HA   ASP  47           HA       ASP  47  -8.427  -5.999   1.085
  305   1HB   ASP  47          1HB       ASP  47  -9.738  -7.585   2.701
  306   2HB   ASP  47          2HB       ASP  47  -8.850  -8.298   1.369
  307    H    ALA  48           H        ALA  48  -6.802  -6.307   4.285
  308    HA   ALA  48           HA       ALA  48  -8.653  -5.105   5.914
  309   1HB   ALA  48          2HB       ALA  48  -6.560  -4.403   7.223
  310   2HB   ALA  48          3HB       ALA  48  -6.726  -6.137   6.860
  311   3HB   ALA  48          1HB       ALA  48  -5.618  -5.128   5.899
  312    H    PHE  49           H        PHE  49  -5.835  -3.460   4.297
  313    HA   PHE  49           HA       PHE  49  -6.240  -0.931   4.923
  314   1HB   PHE  49          1HB       PHE  49  -5.819  -2.181   2.144
  315   2HB   PHE  49          2HB       PHE  49  -5.539  -0.480   2.461
  316    HD1  PHE  49           HD1      PHE  49  -3.637   0.236   3.819
  317    HD2  PHE  49           HD2      PHE  49  -4.286  -3.869   2.962
  318    HE1  PHE  49           HE1      PHE  49  -1.289  -0.284   4.536
  319    HE2  PHE  49           HE2      PHE  49  -1.937  -4.389   3.678
  320    HZ   PHE  49           HZ       PHE  49  -0.467  -2.591   4.457
  321    H    GLU  50           H        GLU  50  -7.447   0.910   4.168
  322    HA   GLU  50           HA       GLU  50  -9.647   0.358   2.405
  323   1HB   GLU  50          1HB       GLU  50 -11.285   1.405   4.062
  324   2HB   GLU  50          2HB       GLU  50 -10.744  -0.216   4.452
  325   1HG   GLU  50          1HG       GLU  50  -9.221   0.576   6.140
  326   2HG   GLU  50          2HG       GLU  50  -9.316   2.230   5.566
  327    H    LYS  51           H        LYS  51  -9.795   2.053   0.997
  328    HA   LYS  51           HA       LYS  51  -8.161   4.173   0.936
  329   1HB   LYS  51          1HB       LYS  51 -10.022   3.295  -0.703
  330   2HB   LYS  51          2HB       LYS  51 -11.006   4.537   0.044
  331   1HG   LYS  51          1HG       LYS  51  -8.227   5.293  -0.855
  332   2HG   LYS  51          2HG       LYS  51  -9.450   5.059  -2.088
  333   1HD   LYS  51          1HD       LYS  51 -10.302   6.709   0.257
  334   2HD   LYS  51          2HD       LYS  51  -9.055   7.424  -0.746
  335   1HE   LYS  51          1HE       LYS  51 -11.636   6.273  -1.900
  336   2HE   LYS  51          2HE       LYS  51 -11.481   7.951  -1.419
  337    H    GLN  52           H        GLN  52  -7.645   5.305   2.782
  338    HA   GLN  52           HA       GLN  52  -9.606   6.076   4.626
  339   1HB   GLN  52          1HB       GLN  52  -7.008   5.775   4.890
  340   2HB   GLN  52          2HB       GLN  52  -6.913   7.440   4.353
  341   1HG   GLN  52          1HG       GLN  52  -8.790   7.827   6.215
  342   2HG   GLN  52          2HG       GLN  52  -8.161   6.329   6.874
  343   2HE2  GLN  52          2HE2      GLN  52  -8.066   9.301   7.590
  344   1HE2  GLN  52          1HE2      GLN  52  -6.407   9.615   7.978

  No H/Q in entry =         344
  Start of MODEL   20
    1    H1   MET   1          1H        MET   1  -2.912  11.522  -4.333
    2    H2   MET   1          2H        MET   1  -3.895  12.839  -4.532
    3    H3   MET   1          3H        MET   1  -2.433  13.005  -3.773
    4    HA   MET   1           HA       MET   1  -3.048  12.079  -1.910
    5   1HB   MET   1          1HB       MET   1  -5.423  13.487  -3.202
    6   2HB   MET   1          2HB       MET   1  -5.575  12.868  -1.569
    7   1HG   MET   1          1HG       MET   1  -4.180  14.476  -0.682
    8   2HG   MET   1          2HG       MET   1  -3.085  14.433  -2.049
    9   1HE   MET   1          1HE       MET   1  -2.720  15.921  -3.389
   10   2HE   MET   1          2HE       MET   1  -3.801  17.074  -4.209
   11   3HE   MET   1          3HE       MET   1  -3.096  17.486  -2.627
   12    H    ASP   2           H        ASP   2  -2.901   9.790  -2.003
   13    HA   ASP   2           HA       ASP   2  -5.440   8.510  -1.912
   14   1HB   ASP   2          1HB       ASP   2  -3.634   8.256  -4.259
   15   2HB   ASP   2          2HB       ASP   2  -4.109   6.715  -3.573
   16    H    ILE   3           H        ILE   3  -4.601   8.182   0.309
   17    HA   ILE   3           HA       ILE   3  -2.311   6.351   0.438
   18    HB   ILE   3           HB       ILE   3  -3.447   8.286   2.455
   19   1HG1  ILE   3          1HG1      ILE   3  -0.598   8.372   1.669
   20   2HG1  ILE   3          2HG1      ILE   3  -1.726   8.781   0.392
   21   1HG2  ILE   3          1HG2      ILE   3  -1.433   6.069   2.769
   22   2HG2  ILE   3          2HG2      ILE   3  -1.383   7.523   3.794
   23   3HG2  ILE   3          3HG2      ILE   3  -2.827   6.482   3.795
   24   1HD1  ILE   3          1HD1      ILE   3  -2.506  10.028   2.933
   25   2HD1  ILE   3          2HD1      ILE   3  -0.855  10.484   2.449
   26   3HD1  ILE   3          3HD1      ILE   3  -2.220  10.781   1.346
   27    H    TYR   4           H        TYR   4  -2.439   4.533   1.791
   28    HA   TYR   4           HA       TYR   4  -5.232   3.666   2.378
   29   1HB   TYR   4          1HB       TYR   4  -2.882   2.218   1.159
   30   2HB   TYR   4          2HB       TYR   4  -4.167   1.328   1.992
   31    HD1  TYR   4           HD1      TYR   4  -3.533   3.737  -0.793
   32    HD2  TYR   4           HD2      TYR   4  -6.186   0.814   0.900
   33    HE1  TYR   4           HE1      TYR   4  -4.908   3.789  -2.857
   34    HE2  TYR   4           HE2      TYR   4  -7.561   0.865  -1.164
   35    HH   TYR   4           HH       TYR   4  -6.553   2.304  -4.081
   36    H    VAL   5           H        VAL   5  -5.630   3.046   4.498
   37    HA   VAL   5           HA       VAL   5  -3.231   2.676   6.156
   38    HB   VAL   5           HB       VAL   5  -5.952   3.694   6.991
   39   1HG1  VAL   5          1HG1      VAL   5  -4.507   2.529   8.715
   40   2HG1  VAL   5          2HG1      VAL   5  -3.326   3.842   8.496
   41   3HG1  VAL   5          3HG1      VAL   5  -4.960   4.207   9.097
   42   1HG2  VAL   5          1HG2      VAL   5  -4.096   5.073   5.458
   43   2HG2  VAL   5          2HG2      VAL   5  -5.376   5.795   6.463
   44   3HG2  VAL   5          3HG2      VAL   5  -3.733   5.598   7.119
   45    H    CYS   6           H        CYS   6  -3.054   0.800   7.339
   46    HA   CYS   6           HA       CYS   6  -4.751  -1.326   6.608
   47   1HB   CYS   6          1HB       CYS   6  -2.365  -1.600   7.128
   48   2HB   CYS   6          2HB       CYS   6  -2.669  -1.160   8.797
   49    H    THR   7           H        THR   7  -6.244  -2.513   8.001
   50    HA   THR   7           HA       THR   7  -7.351  -0.811  10.129
   51    HB   THR   7           HB       THR   7  -9.410  -2.299   9.653
   52    HG1  THR   7           HG1      THR   7  -8.181  -3.994   8.577
   53   1HG2  THR   7          1HG2      THR   7  -8.528  -0.022   8.284
   54   2HG2  THR   7          2HG2      THR   7  -8.784  -1.198   6.972
   55   3HG2  THR   7          3HG2      THR   7 -10.121  -0.789   8.073
   56    H    VAL   8           H        VAL   8  -4.958  -2.722  10.243
   57    HA   VAL   8           HA       VAL   8  -6.069  -4.422  12.370
   58    HB   VAL   8           HB       VAL   8  -3.744  -4.917  10.500
   59   1HG1  VAL   8          1HG1      VAL   8  -4.666  -6.319  12.995
   60   2HG1  VAL   8          2HG1      VAL   8  -3.927  -7.256  11.674
   61   3HG1  VAL   8          3HG1      VAL   8  -3.015  -5.938  12.448
   62   1HG2  VAL   8          1HG2      VAL   8  -6.588  -5.792  10.556
   63   2HG2  VAL   8          2HG2      VAL   8  -5.486  -5.547   9.180
   64   3HG2  VAL   8          3HG2      VAL   8  -5.376  -7.032  10.154
   65    H    CYS   9           H        CYS   9  -3.226  -2.505  11.211
   66    HA   CYS   9           HA       CYS   9  -2.564  -2.110  14.039
   67   1HB   CYS   9          1HB       CYS   9  -0.217  -1.579  12.908
   68   2HB   CYS   9          2HB       CYS   9  -0.677  -3.180  13.453
   69    H    GLY  10           H        GLY  10  -1.759  -0.674  10.786
   70   1HA   GLY  10          2HA       GLY  10  -1.777   1.991  11.825
   71   2HA   GLY  10          1HA       GLY  10  -3.241   1.630  10.933
   72    H    TYR  11           H        TYR  11   0.221   0.749  10.571
   73    HA   TYR  11           HA       TYR  11   1.711   1.361   8.890
   74   1HB   TYR  11          1HB       TYR  11   0.303  -0.791   8.301
   75   2HB   TYR  11          2HB       TYR  11  -0.358   0.241   7.021
   76    HD1  TYR  11           HD1      TYR  11   3.114   0.039   8.426
   77    HD2  TYR  11           HD2      TYR  11   0.559  -0.527   5.021
   78    HE1  TYR  11           HE1      TYR  11   5.098  -0.441   7.017
   79    HE2  TYR  11           HE2      TYR  11   2.543  -1.007   3.612
   80    HH   TYR  11           HH       TYR  11   5.843  -1.139   4.961
   81    H    GLU  12           H        GLU  12   0.866   1.784   6.002
   82    HA   GLU  12           HA       GLU  12  -0.890   3.709   5.564
   83   1HB   GLU  12          1HB       GLU  12   0.608   5.848   5.713
   84   2HB   GLU  12          2HB       GLU  12  -0.179   5.268   7.167
   85   1HG   GLU  12          1HG       GLU  12   2.317   3.867   6.969
   86   2HG   GLU  12          2HG       GLU  12   2.659   5.552   6.633
   87    H    TYR  13           H        TYR  13  -0.546   2.332   3.718
   88    HA   TYR  13           HA       TYR  13   1.893   2.383   2.207
   89   1HB   TYR  13          1HB       TYR  13   0.228   0.571   2.085
   90   2HB   TYR  13          2HB       TYR  13  -0.952   1.699   1.394
   91    HD1  TYR  13           HD1      TYR  13   2.176  -0.172   0.773
   92    HD2  TYR  13           HD2      TYR  13  -0.826   2.394  -0.916
   93    HE1  TYR  13           HE1      TYR  13   3.015  -0.688  -1.503
   94    HE2  TYR  13           HE2      TYR  13   0.013   1.878  -3.191
   95    HH   TYR  13           HH       TYR  13   2.226   1.064  -4.261
   96    H    ASP  14           H        ASP  14   2.466   3.617   0.337
   97    HA   ASP  14           HA       ASP  14   0.564   5.716  -0.311
   98   1HB   ASP  14          1HB       ASP  14   3.286   5.979   0.808
   99   2HB   ASP  14          2HB       ASP  14   3.101   6.867  -0.692
  100    HA   PRO  15           HA       PRO  15   1.792   4.351  -4.384
  101   1HB   PRO  15          1HB       PRO  15   0.279   6.011  -5.870
  102   2HB   PRO  15          2HB       PRO  15  -0.493   4.845  -4.747
  103   1HG   PRO  15          1HG       PRO  15   0.015   7.778  -4.212
  104   2HG   PRO  15          2HG       PRO  15  -1.460   6.792  -3.946
  105   1HD   PRO  15          1HD       PRO  15   0.473   7.366  -1.989
  106   2HD   PRO  15          2HD       PRO  15  -0.596   5.931  -1.949
  107    H    ALA  16           H        ALA  16   1.938   7.865  -3.454
  108    HA   ALA  16           HA       ALA  16   3.654   8.523  -5.616
  109   1HB   ALA  16          2HB       ALA  16   4.024  10.475  -3.714
  110   2HB   ALA  16          1HB       ALA  16   2.436   9.818  -3.250
  111   3HB   ALA  16          3HB       ALA  16   2.693  10.448  -4.895
  112    H    LYS  17           H        LYS  17   4.055   7.125  -2.397
  113    HA   LYS  17           HA       LYS  17   6.936   7.579  -2.543
  114   1HB   LYS  17          1HB       LYS  17   5.046   7.568  -0.426
  115   2HB   LYS  17          2HB       LYS  17   6.082   6.178  -0.176
  116   1HG   LYS  17          1HG       LYS  17   7.482   7.710   0.802
  117   2HG   LYS  17          2HG       LYS  17   7.979   8.025  -0.849
  118   1HD   LYS  17          1HD       LYS  17   6.245   9.845  -1.001
  119   2HD   LYS  17          2HD       LYS  17   5.809   9.549   0.670
  120   1HE   LYS  17          1HE       LYS  17   8.653  10.256  -0.182
  121   2HE   LYS  17          2HE       LYS  17   7.470  11.472   0.258
  122    H    GLY  18           H        GLY  18   4.475   4.945  -2.180
  123   1HA   GLY  18          2HA       GLY  18   5.991   3.187  -3.837
  124   2HA   GLY  18          1HA       GLY  18   4.523   2.823  -2.952
  125    H    ASP  19           H        ASP  19   6.923   1.128  -3.221
  126    HA   ASP  19           HA       ASP  19   7.894   1.209  -0.480
  127   1HB   ASP  19          1HB       ASP  19   6.381  -0.929  -1.886
  128   2HB   ASP  19          2HB       ASP  19   7.843  -1.503  -1.108
  129    HA   PRO  20           HA       PRO  20  11.276   0.904  -3.661
  130   1HB   PRO  20          1HB       PRO  20  12.611   2.839  -1.841
  131   2HB   PRO  20          2HB       PRO  20  12.196   2.980  -3.580
  132   1HG   PRO  20          1HG       PRO  20  10.747   4.505  -1.674
  133   2HG   PRO  20          2HG       PRO  20  10.125   3.841  -3.220
  134   1HD   PRO  20          1HD       PRO  20  10.041   2.632  -0.397
  135   2HD   PRO  20          2HD       PRO  20   8.689   2.861  -1.546
  136    H    ASP  21           H        ASP  21  10.877  -1.229  -1.952
  137    HA   ASP  21           HA       ASP  21  13.434  -1.328  -0.553
  138   1HB   ASP  21          1HB       ASP  21  11.218  -1.379   0.838
  139   2HB   ASP  21          2HB       ASP  21  10.992  -2.988   0.181
  140    H    SER  22           H        SER  22  13.567  -1.988  -3.171
  141    HA   SER  22           HA       SER  22  13.865  -3.533  -4.676
  142   1HB   SER  22          1HB       SER  22  14.674  -4.985  -2.143
  143   2HB   SER  22          2HB       SER  22  14.758  -5.810  -3.686
  144    HG   SER  22           HG       SER  22  16.119  -3.369  -2.934
  145    H    GLY  23           H        GLY  23  11.276  -3.295  -4.637
  146   1HA   GLY  23          2HA       GLY  23   9.654  -5.314  -3.628
  147   2HA   GLY  23          1HA       GLY  23  10.226  -5.864  -5.190
  148    H    ILE  24           H        ILE  24   9.624  -2.449  -4.185
  149    HA   ILE  24           HA       ILE  24   7.662  -2.304  -6.356
  150    HB   ILE  24           HB       ILE  24   7.283  -0.993  -3.667
  151   1HG1  ILE  24          1HG1      ILE  24   7.218  -3.440  -3.407
  152   2HG1  ILE  24          2HG1      ILE  24   5.655  -2.697  -3.131
  153   1HG2  ILE  24          1HG2      ILE  24   5.453  -1.355  -6.056
  154   2HG2  ILE  24          2HG2      ILE  24   4.977  -0.663  -4.486
  155   3HG2  ILE  24          3HG2      ILE  24   6.190   0.164  -5.492
  156   1HD1  ILE  24          1HD1      ILE  24   6.035  -3.405  -5.962
  157   2HD1  ILE  24          2HD1      ILE  24   6.181  -4.814  -4.884
  158   3HD1  ILE  24          3HD1      ILE  24   4.702  -3.824  -4.860
  159    H    LYS  25           H        LYS  25   7.748  -0.418  -7.582
  160    HA   LYS  25           HA       LYS  25  10.088   1.229  -7.026
  161   1HB   LYS  25          1HB       LYS  25   8.651   0.327  -9.435
  162   2HB   LYS  25          2HB       LYS  25   9.116   2.015  -9.476
  163   1HG   LYS  25          1HG       LYS  25  11.440   1.017  -8.529
  164   2HG   LYS  25          2HG       LYS  25  10.862  -0.435  -9.323
  165   1HD   LYS  25          1HD       LYS  25  11.682   0.419 -11.261
  166   2HD   LYS  25          2HD       LYS  25  10.362   1.570 -11.222
  167   1HE   LYS  25          1HE       LYS  25  12.175   2.732  -9.461
  168   2HE   LYS  25          2HE       LYS  25  13.244   1.984 -10.630
  169    HA   PRO  26           HA       PRO  26   7.962   4.711  -5.528
  170   1HB   PRO  26          1HB       PRO  26   9.293   6.725  -6.935
  171   2HB   PRO  26          2HB       PRO  26   9.961   5.852  -5.517
  172   1HG   PRO  26          1HG       PRO  26  10.307   5.301  -8.420
  173   2HG   PRO  26          2HG       PRO  26  11.704   5.363  -7.297
  174   1HD   PRO  26          1HD       PRO  26  10.757   2.977  -7.915
  175   2HD   PRO  26          2HD       PRO  26  10.912   3.341  -6.169
  176    H    GLY  27           H        GLY  27   5.847   5.193  -6.116
  177   1HA   GLY  27          2HA       GLY  27   5.416   6.272  -8.804
  178   2HA   GLY  27          1HA       GLY  27   4.339   6.385  -7.427
  179    H    THR  28           H        THR  28   3.776   3.950  -6.524
  180    HA   THR  28           HA       THR  28   2.812   2.516  -8.908
  181    HB   THR  28           HB       THR  28   3.849   1.301  -6.293
  182    HG1  THR  28           HG1      THR  28   5.631   2.058  -7.498
  183   1HG2  THR  28          1HG2      THR  28   3.021   0.126  -8.997
  184   2HG2  THR  28          2HG2      THR  28   3.939  -0.775  -7.768
  185   3HG2  THR  28          3HG2      THR  28   2.284  -0.224  -7.415
  186    H    LYS  29           H        LYS  29   0.681   2.049  -8.973
  187    HA   LYS  29           HA       LYS  29  -0.960   3.240  -6.983
  188   1HB   LYS  29          1HB       LYS  29  -1.659   1.469  -9.345
  189   2HB   LYS  29          2HB       LYS  29  -2.809   2.368  -8.376
  190   1HG   LYS  29          1HG       LYS  29  -2.059   4.461  -9.167
  191   2HG   LYS  29          2HG       LYS  29  -0.472   3.852  -9.593
  192   1HD   LYS  29          1HD       LYS  29  -1.164   3.486 -11.718
  193   2HD   LYS  29          2HD       LYS  29  -2.381   2.364 -11.143
  194   1HE   LYS  29          1HE       LYS  29  -4.083   3.914 -11.292
  195   2HE   LYS  29          2HE       LYS  29  -3.073   5.236 -10.741
  196    H    PHE  30           H        PHE  30  -2.657   2.077  -5.742
  197    HA   PHE  30           HA       PHE  30  -1.470  -0.170  -4.433
  198   1HB   PHE  30          1HB       PHE  30  -2.803   1.735  -3.364
  199   2HB   PHE  30          2HB       PHE  30  -4.225   1.191  -4.233
  200    HD1  PHE  30           HD1      PHE  30  -1.848   0.324  -1.554
  201    HD2  PHE  30           HD2      PHE  30  -5.509  -0.667  -3.457
  202    HE1  PHE  30           HE1      PHE  30  -2.417  -1.218   0.343
  203    HE2  PHE  30           HE2      PHE  30  -6.078  -2.209  -1.560
  204    HZ   PHE  30           HZ       PHE  30  -4.525  -2.466   0.317
  205    H    GLU  31           H        GLU  31  -2.972   0.003  -7.352
  206    HA   GLU  31           HA       GLU  31  -4.489  -2.440  -6.882
  207   1HB   GLU  31          1HB       GLU  31  -5.310  -0.107  -8.113
  208   2HB   GLU  31          2HB       GLU  31  -4.804  -1.058  -9.495
  209   1HG   GLU  31          1HG       GLU  31  -6.459  -2.488  -7.441
  210   2HG   GLU  31          2HG       GLU  31  -7.283  -1.255  -8.374
  211    H    ASP  32           H        ASP  32  -1.805  -0.919  -8.626
  212    HA   ASP  32           HA       ASP  32  -1.517  -3.055 -10.460
  213   1HB   ASP  32          1HB       ASP  32   0.391  -0.829  -9.600
  214   2HB   ASP  32          2HB       ASP  32   0.711  -1.929 -10.926
  215    H    LEU  33           H        LEU  33  -1.059  -2.791  -7.140
  216    HA   LEU  33           HA       LEU  33   1.440  -3.700  -6.560
  217   1HB   LEU  33          1HB       LEU  33  -1.238  -4.198  -5.285
  218   2HB   LEU  33          2HB       LEU  33   0.236  -4.860  -4.607
  219    HG   LEU  33           HG       LEU  33  -0.195  -1.905  -5.113
  220   1HD1  LEU  33          1HD1      LEU  33  -0.959  -3.634  -2.801
  221   2HD1  LEU  33          2HD1      LEU  33  -0.320  -2.006  -2.468
  222   3HD1  LEU  33          3HD1      LEU  33  -1.768  -2.204  -3.486
  223   1HD2  LEU  33          1HD2      LEU  33   2.030  -3.542  -4.022
  224   2HD2  LEU  33          2HD2      LEU  33   2.057  -2.001  -4.913
  225   3HD2  LEU  33          3HD2      LEU  33   1.662  -2.018  -3.177
  226    HA   PRO  34           HA       PRO  34   2.518  -7.558  -8.200
  227   1HB   PRO  34          1HB       PRO  34   2.460  -8.476  -5.295
  228   2HB   PRO  34          2HB       PRO  34   3.676  -8.763  -6.582
  229   1HG   PRO  34          1HG       PRO  34   3.944  -6.840  -4.771
  230   2HG   PRO  34          2HG       PRO  34   4.725  -6.546  -6.359
  231   1HD   PRO  34          1HD       PRO  34   2.425  -5.183  -5.122
  232   2HD   PRO  34          2HD       PRO  34   3.244  -4.798  -6.665
  233    H    ASP  35           H        ASP  35   0.569  -8.367  -5.213
  234    HA   ASP  35           HA       ASP  35  -1.825  -8.748  -6.120
  235   1HB   ASP  35          1HB       ASP  35  -0.036 -10.707  -7.471
  236   2HB   ASP  35          2HB       ASP  35  -1.457 -11.429  -6.744
  237    H    ASP  36           H        ASP  36   0.884 -10.882  -4.963
  238    HA   ASP  36           HA       ASP  36  -0.836 -11.936  -2.913
  239   1HB   ASP  36          1HB       ASP  36   1.371 -12.912  -4.370
  240   2HB   ASP  36          2HB       ASP  36   2.024 -12.641  -2.766
  241    H    TRP  37           H        TRP  37   0.136  -9.027  -3.041
  242    HA   TRP  37           HA       TRP  37   2.099  -8.798  -0.962
  243   1HB   TRP  37          1HB       TRP  37   1.952  -7.229  -2.860
  244   2HB   TRP  37          2HB       TRP  37   0.380  -6.698  -2.295
  245    HD1  TRP  37           HD1      TRP  37   4.101  -6.252  -1.559
  246    HE1  TRP  37           HE1      TRP  37   4.526  -4.350   0.220
  247    HE3  TRP  37           HE3      TRP  37  -0.779  -5.650  -0.262
  248    HZ2  TRP  37           HZ2      TRP  37   2.812  -2.841   1.932
  249    HZ3  TRP  37           HZ3      TRP  37  -1.317  -3.942   1.471
  250    HH2  TRP  37           HH2      TRP  37   0.384  -2.563   2.557
  251    H    ALA  38           H        ALA  38   1.713  -8.291   1.219
  252    HA   ALA  38           HA       ALA  38  -1.036  -7.798   2.023
  253   1HB   ALA  38          1HB       ALA  38   0.272 -10.367   2.236
  254   2HB   ALA  38          2HB       ALA  38  -0.016  -9.706   3.863
  255   3HB   ALA  38          3HB       ALA  38  -1.374  -9.903   2.730
  256    H    CYS  39           H        CYS  39  -1.161  -6.925   4.235
  257    HA   CYS  39           HA       CYS  39   0.603  -4.968   4.749
  258   1HB   CYS  39          1HB       CYS  39  -1.570  -5.195   5.839
  259   2HB   CYS  39          2HB       CYS  39  -0.984  -6.553   6.779
  260    HA   PRO  40           HA       PRO  40   4.171  -7.599   5.657
  261   1HB   PRO  40          1HB       PRO  40   5.594  -4.993   5.419
  262   2HB   PRO  40          2HB       PRO  40   5.759  -6.499   4.458
  263   1HG   PRO  40          1HG       PRO  40   4.529  -4.237   3.264
  264   2HG   PRO  40          2HG       PRO  40   4.280  -6.005   3.087
  265   1HD   PRO  40          1HD       PRO  40   2.793  -4.007   4.897
  266   2HD   PRO  40          2HD       PRO  40   2.097  -5.099   3.661
  267    H    VAL  41           H        VAL  41   2.487  -5.200   7.405
  268    HA   VAL  41           HA       VAL  41   4.510  -4.959   9.466
  269    HB   VAL  41           HB       VAL  41   1.681  -3.899   9.345
  270   1HG1  VAL  41          1HG1      VAL  41   3.897  -3.688  11.297
  271   2HG1  VAL  41          2HG1      VAL  41   3.098  -2.152  10.881
  272   3HG1  VAL  41          3HG1      VAL  41   2.140  -3.508  11.524
  273   1HG2  VAL  41          1HG2      VAL  41   3.977  -3.149   7.804
  274   2HG2  VAL  41          2HG2      VAL  41   2.355  -2.416   7.825
  275   3HG2  VAL  41          3HG2      VAL  41   3.608  -1.839   8.951
  276    H    CYS  42           H        CYS  42   1.003  -5.932   9.379
  277    HA   CYS  42           HA       CYS  42   1.620  -7.733  11.593
  278   1HB   CYS  42          1HB       CYS  42  -0.798  -7.759  12.008
  279   2HB   CYS  42          2HB       CYS  42  -0.098  -6.157  12.129
  280    H    GLY  43           H        GLY  43   0.260  -7.430   8.284
  281   1HA   GLY  43          2HA       GLY  43   0.015 -10.373   8.152
  282   2HA   GLY  43          1HA       GLY  43   0.894  -9.465   6.938
  283    H    ALA  44           H        ALA  44  -1.998  -8.121   8.533
  284    HA   ALA  44           HA       ALA  44  -4.149  -8.850   7.368
  285   1HB   ALA  44          2HB       ALA  44  -3.183  -5.974   7.109
  286   2HB   ALA  44          1HB       ALA  44  -3.842  -6.702   8.593
  287   3HB   ALA  44          3HB       ALA  44  -4.875  -6.523   7.155
  288    H    SER  45           H        SER  45  -4.964  -9.443   5.412
  289    HA   SER  45           HA       SER  45  -3.352  -9.626   3.219
  290   1HB   SER  45          1HB       SER  45  -5.625 -10.773   3.777
  291   2HB   SER  45          2HB       SER  45  -6.374  -9.377   3.027
  292    HG   SER  45           HG       SER  45  -5.016 -11.530   1.854
  293    H    LYS  46           H        LYS  46  -4.633  -8.633   0.949
  294    HA   LYS  46           HA       LYS  46  -4.080  -5.793   1.241
  295   1HB   LYS  46          1HB       LYS  46  -2.927  -7.158  -0.501
  296   2HB   LYS  46          2HB       LYS  46  -4.476  -7.456  -1.263
  297   1HG   LYS  46          1HG       LYS  46  -4.587  -4.726  -1.036
  298   2HG   LYS  46          2HG       LYS  46  -2.854  -4.943  -1.176
  299   1HD   LYS  46          1HD       LYS  46  -4.231  -6.639  -3.115
  300   2HD   LYS  46          2HD       LYS  46  -4.773  -4.981  -3.279
  301   1HE   LYS  46          1HE       LYS  46  -2.651  -4.190  -3.875
  302   2HE   LYS  46          2HE       LYS  46  -1.810  -5.438  -2.977
  303    H    ASP  47           H        ASP  47  -6.492  -6.853   2.467
  304    HA   ASP  47           HA       ASP  47  -8.438  -5.567   0.716
  305   1HB   ASP  47          1HB       ASP  47  -8.483  -8.189   1.727
  306   2HB   ASP  47          2HB       ASP  47  -9.536  -7.320   2.825
  307    H    ALA  48           H        ALA  48  -7.328  -6.310   4.080
  308    HA   ALA  48           HA       ALA  48  -9.070  -4.960   5.615
  309   1HB   ALA  48          2HB       ALA  48  -6.304  -4.338   6.355
  310   2HB   ALA  48          3HB       ALA  48  -7.501  -5.360   7.185
  311   3HB   ALA  48          1HB       ALA  48  -6.508  -6.040   5.874
  312    H    PHE  49           H        PHE  49  -6.049  -3.412   4.300
  313    HA   PHE  49           HA       PHE  49  -6.393  -0.891   4.979
  314   1HB   PHE  49          1HB       PHE  49  -5.751  -2.095   2.225
  315   2HB   PHE  49          2HB       PHE  49  -5.470  -0.403   2.581
  316    HD1  PHE  49           HD1      PHE  49  -3.695   0.267   4.125
  317    HD2  PHE  49           HD2      PHE  49  -4.330  -3.817   3.163
  318    HE1  PHE  49           HE1      PHE  49  -1.435  -0.303   5.056
  319    HE2  PHE  49           HE2      PHE  49  -2.070  -4.387   4.094
  320    HZ   PHE  49           HZ       PHE  49  -0.650  -2.624   5.029
  321    H    GLU  50           H        GLU  50  -7.429   1.037   4.179
  322    HA   GLU  50           HA       GLU  50  -9.492   0.644   2.216
  323   1HB   GLU  50          1HB       GLU  50 -11.204   1.754   3.751
  324   2HB   GLU  50          2HB       GLU  50 -10.786   0.100   4.153
  325   1HG   GLU  50          1HG       GLU  50  -9.377   0.779   5.980
  326   2HG   GLU  50          2HG       GLU  50  -9.321   2.442   5.429
  327    H    LYS  51           H        LYS  51  -9.438   2.371   0.840
  328    HA   LYS  51           HA       LYS  51  -7.685   4.392   0.952
  329   1HB   LYS  51          1HB       LYS  51  -9.298   3.702  -0.912
  330   2HB   LYS  51          2HB       LYS  51 -10.473   4.763  -0.161
  331   1HG   LYS  51          1HG       LYS  51  -7.935   6.163  -0.361
  332   2HG   LYS  51          2HG       LYS  51  -8.332   5.482  -1.926
  333   1HD   LYS  51          1HD       LYS  51 -10.459   6.959  -0.348
  334   2HD   LYS  51          2HD       LYS  51  -9.267   7.866  -1.258
  335   1HE   LYS  51          1HE       LYS  51 -10.822   7.620  -2.948
  336   2HE   LYS  51          2HE       LYS  51  -9.969   6.110  -3.196
  337    H    GLN  52           H        GLN  52  -7.254   5.451   2.864
  338    HA   GLN  52           HA       GLN  52  -9.361   6.356   4.506
  339   1HB   GLN  52          1HB       GLN  52  -7.623   7.227   5.930
  340   2HB   GLN  52          2HB       GLN  52  -7.047   5.699   5.295
  341   1HG   GLN  52          1HG       GLN  52  -5.206   6.777   4.530
  342   2HG   GLN  52          2HG       GLN  52  -6.227   7.608   3.375
  343   2HE2  GLN  52          2HE2      GLN  52  -5.368   9.580   3.366
  344   1HE2  GLN  52          1HE2      GLN  52  -5.253  10.646   4.726

  No H/Q in entry =         344