IndexError: list index out of range

[imerelli]

Hi, I have this problem running opus_mut.
The test works fine, but with my protein I have this problem.
Can you help me?

/opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp CXCR4_Y256M.bb                                                                               
multiprocessing.pool.RemoteTraceback:
"""
Traceback (most recent call last):
  File "/opt/tools/deg/miniforge3/envs/mut/lib/python3.7/multiprocessing/pool.py", line 121, in worker
    result = (True, func(*args, **kwds))
  File "/opt/tools/deg/miniforge3/envs/mut/lib/python3.7/multiprocessing/pool.py", line 44, in mapstar
    return list(map(*args))
  File "run_opus_mut.py", line 47, in preparation
    make_input(filename, preparation_config)
  File "/opt/tools/deg/opus_mut/Mut/inference_utils.py", line 220, in make_input
    ss8, ss3 = read_ss(ss_path)
  File "/opt/tools/deg/opus_mut/Mut/inference_utils.py", line 190, in read_ss
    ss_result = ss_result[0]
IndexError: list index out of range
"""

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "run_opus_mut.py", line 82, in <module>
    pool.map(preparation, multi_iters)
  File "/opt/tools/deg/miniforge3/envs/mut/lib/python3.7/multiprocessing/pool.py", line 268, in map
    return self._map_async(func, iterable, mapstar, chunksize).get()
  File "/opt/tools/deg/miniforge3/envs/mut/lib/python3.7/multiprocessing/pool.py", line 657, in get
    raise self._value
IndexError: list index out of range

[thuxugang]

It looks like the secondary structure file fails to be generated, please run the following scritpt "/opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp CXCR4_Y256M.bb" and check the reason.

[imerelli]

mkdssp seems ok. I don't see errors in that part.
I'm attachint all the *.bb files and the bb_list file (also the original pdb file) to this post.
I would be very grateful if you can test opus_mut with them.
test_opus_mut.tgz

[thuxugang]

Your files work fine with me. Can you use only one .bb file, such as "CXCR4_Y256M.bb", and send me the generated files in tmp_files? You should take a look at .ss file, it may not be generated properly through this script "/opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp CXCR4_Y256M.bb".

[imerelli]

Ok, now I get the issue. The problem is that the prodived verion of mkdssp is not working because of this error:

mkdssp: error while loading shared libraries: libboost_date_time-mt.so.1.53.0: cannot open shared object file: No such file or directory

But I don't have the chance to install that library, it is not even in conda anymore.
And If I to use the new version of dssp from conda (I made a link in order to make it work):

$ conda install -c salilab dssp
...
$ ls -la
total 8504
drwxrwxrwx. 2 imerelli bioinformatics     114 Dec 24 10:47 .
drwxrwxrwx. 7 imerelli bioinformatics     383 Dec 22 19:02 ..
-rwxrwxrwx. 1 imerelli bioinformatics    3033 Oct 31  2021 dssp.cpp
lrwxr-x---. 1 imerelli bioinformatics      45 Dec 24 10:47 mkdssp -> /opt/tools/deg/miniforge3/envs/mut/bin/mkdssp
-rwxrwxrwx. 1 imerelli bioinformatics 7028944 Oct 31  2021 mkdssp_old
-rwxrwxrwx. 1 imerelli bioinformatics  167942 Oct 31  2021 xssp-3.0.10.tar.gz

$ /opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp --version
mkdssp version 3.0.0

If you use DSSP, please cite: 
Touw WG, Baakman C, Black J, te Beek TA, Krieger E, Joosten RP & Vriend G.
A series of PDB-related databanks for everyday needs.
Nucleic Acids Res. (2015) 43, D364-D368. doi: 10.1093/nar/gku1028.

The original DSSP reference is: 
Kabsch W & Sander C.
Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features.
Biopolymers (1983) 22, 2577-2637. doi: 10.1002/bip.360221211.

The only files that I see in the tmp_files directory are .pp and .fasta. Here the output of using this new version:

$ /opt/tools/deg/opus_mut/Mut/mkdssp/mkdssp CXCR4_Y256M.bb
==== Secondary Structure Definition by the program DSSP, CMBI version 2.0                          ==== DATE=2023-12-24        .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637                                                              .
                                                                                                                               .
COMPND                                                                                                                         .
SOURCE                                                                                                                         .
AUTHOR                                                                                                                         .
  352  1  0  0  0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN)                .
 19807.7   ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)                                                                         .
  279 79.3   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J)  , SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS IN     PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES                              .
    7  2.0   TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES                              .
    1  0.3   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES                              .
    0  0.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES                              .
   28  8.0   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES                              .
   25  7.1   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES                              .
  209 59.4   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES                              .
    9  2.6   TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES                              .
  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30     *** HISTOGRAMS OF ***           .
  1  0  0  0  1  2  0  0  1  0  0  2  0  0  0  0  2  1  0  0  0  0  1  0  0  0  0  0  0  3    RESIDUES PER ALPHA HELIX         .
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    PARALLEL BRIDGES PER LADDER      .
  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    ANTIPARALLEL BRIDGES PER LADDER  .
  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0    LADDERS PER SHEET                .
  #  RESIDUE AA STRUCTURE BP1 BP2  ACC     N-H-->O    O-->H-N    N-H-->O    O-->H-N    TCO  KAPPA ALPHA  PHI   PSI    X-CA   Y-CA   Z-CA            CHAIN
    1    1 A M              0   0  132      0, 0.0     0, 0.0     0, 0.0     0, 0.0   0.000 360.0 360.0 360.0 113.6   29.0    0.9  -11.0               
    2    2 A E        +     0   0   87      2,-0.1     3,-0.1     0, 0.0     0, 0.0   0.889 360.0  49.5  47.7 122.6   28.8   -1.1  -14.3               
    3    3 A G        +     0   0   80      1,-0.0     2,-0.6     0, 0.0     0, 0.0   0.640  11.6 141.2-165.5 147.4   27.6   -1.3  -17.2               
    4    4 A I        -     0   0   84      2,-0.0     2,-0.9     0, 0.0    -2,-0.1  -0.903  42.6-147.2 -83.7 119.6   26.8    0.1  -20.6               
    5    5 A S        +     0   0   85     -2,-0.6     2,-0.7    -3,-0.1     0, 0.0  -0.868  21.7 175.9 -93.4 101.6   27.5   -2.8  -23.0               
    6    6 A I        -     0   0   78     -2,-0.9     2,-0.6     2,-0.0    -2,-0.0  -0.961  24.5-142.8 -95.9 112.3   28.7   -1.3  -26.3               
    7    7 A Y        -     0   0   82     -2,-0.7     2,-0.3     1,-0.0    -2,-0.0  -0.727  14.9-133.9 -76.2 119.7   29.6   -4.2  -28.5               
    8    8 A T        -     0   0   79     -2,-0.6     2,-0.8     1,-0.1    -1,-0.0  -0.580  14.4-123.7 -68.2 131.2   32.7   -3.4  -30.6               
    9    9 A S        -     0   0   90     -2,-0.3     2,-0.5     2,-0.0    -1,-0.1  -0.757  28.2-173.5 -76.4 105.8   32.6   -4.2  -34.3               
   10   10 A D        -     0   0   77     -2,-0.8     2,-0.7     2,-0.1    -2,-0.0  -0.935  22.3-131.4-102.0 128.0   35.6   -6.5  -35.2               
   11   11 A N        +     0   0   92     -2,-0.5     2,-0.4     2,-0.0    -2,-0.0  -0.709  35.9 161.3 -83.5 106.4   35.8   -7.1  -38.9               
   12   12 A Y        -     0   0   76     -2,-0.7     2,-0.1     0, 0.0    -2,-0.1  -0.958  28.5-136.2-132.6 119.0   36.2  -10.8  -40.0               
   13   13 A T        -     0   0   84     -2,-0.4    -2,-0.0     1,-0.1     0, 0.0  -0.367  42.3  -7.7 -59.9 139.1   35.4  -11.8  -43.6               
   14   14 A E        +     0   0   86     -2,-0.1     2,-0.1     1,-0.0    -1,-0.1   0.903  42.0 130.2  58.5 102.8   33.6  -14.7  -45.1               
   15   15 A E        -     0   0   79      2,-0.0     2,-0.5     0, 0.0    -1,-0.0  -0.537  41.9-135.3-158.5 127.6   32.0  -17.9  -44.7               
   16   16 A M        +     0   0   94     -2,-0.1     2,-0.3     2,-0.0     0, 0.0  -0.522  32.3 162.0 -66.3 116.1   28.4  -18.5  -46.1               
   17   17 A G        -     0   0   71     -2,-0.5     2,-0.8     2,-0.1    -2,-0.0  -0.889  31.8-143.2-138.0 105.4   26.1  -20.3  -43.7               
   18   18 A S        +     0   0   97     -2,-0.3     2,-0.4     2,-0.0    -2,-0.0  -0.584  33.6 167.9 -61.8 100.3   22.3  -20.1  -44.4               
   19   19 A G        -     0   0   68     -2,-0.8    -2,-0.1     0, 0.0     0, 0.0  -0.992  42.9 -91.4-124.2 132.6   20.8  -19.9  -40.8               
   20   20 A D        -     0   0   82     -2,-0.4     2,-1.5     1,-0.1    -2,-0.0  -0.121  21.2-148.6 -44.3 116.4   17.1  -19.0  -40.1               
   21   21 A Y        +     0   0   89      2,-0.0     2,-0.7     3,-0.0     3,-0.3  -0.363  47.6 147.0 -76.8  52.5   16.4  -15.2  -39.6               
   22   22 A D        -     0   0   75     -2,-1.5    -2,-0.0     1,-0.2     0, 0.0  -0.878  58.4  -1.7 -96.5 114.5   13.6  -16.2  -37.2               
   23   23 A S        +     0   0   79     -2,-0.7     2,-1.1     1,-0.2    -1,-0.2   0.903  48.9 163.2  76.3  61.3   13.1  -13.7  -34.4               
   24   24 A M        -     0   0   82     -3,-0.3     2,-0.4     3,-0.0    -1,-0.2  -0.863  41.5-142.9 -79.5  96.9   15.3  -10.7  -34.0               
   25   25 A K        -     0   0   75     -2,-1.1   248,-0.0     1,-0.1     3,-0.0  -0.581  16.8-118.5 -59.1 119.9   12.7   -9.0  -31.6               
   26   26 A E        -     0   0   74     -2,-0.4     2,-0.5     1,-0.1   248,-0.1  -0.439  35.1-104.2 -57.5 129.8   12.7   -5.3  -32.5               
   27   27 A P        -     0   0   84      0, 0.0     2,-0.9     0, 0.0    -1,-0.1  -0.516  33.3-135.5 -64.6 114.9   13.9   -3.4  -29.3               
   28   28 A C        -     0   0   69     -2,-0.5     2,-0.4     2,-0.0    -3,-0.0  -0.626  18.5-160.8 -73.1 106.7   10.7   -1.9  -27.8               
   29   29 A F        -     0   0   72     -2,-0.9     2,-1.7     1,-0.1   249,-0.1  -0.745  29.0-111.0 -82.9 137.0   11.5    1.7  -26.8               
   30   30 A R        -     0   0   85     -2,-0.4     2,-1.4     1,-0.1    -1,-0.1  -0.539  32.4-161.6 -70.1  87.6    9.1    3.2  -24.3               
   31   31 A E        -     0   0   69     -2,-1.7     2,-0.6     2,-0.0    -1,-0.1  -0.632  12.1-144.8 -68.7  95.7    7.4    5.8  -26.5               
   32   32 A E        -     0   0   68     -2,-1.4     2,-2.8     1,-0.1     3,-0.3  -0.578   8.4-142.5 -53.9 116.3    5.9    8.0  -23.9               
   33   33 A N    >>  +     0   0   69     -2,-0.6     4,-1.8     1,-0.2     3,-0.9  -0.466  44.4 171.8 -70.6  59.3    2.6    9.1  -25.5               
   34   34 A A  H 3>  +     0   0   48     -2,-2.8     4,-3.0     1,-0.3    -1,-0.2   0.812  55.7  59.2 -63.5 -38.0    4.0   12.0  -23.5               
   35   35 A N  H 34 S+     0   0   74     -3,-0.3     4,-0.4     1,-0.2    -1,-0.3   0.868 111.5  40.0 -61.2 -41.6    1.5   14.7  -24.7               
   36   36 A F  H X> S+     0   0   57     -3,-0.9     4,-3.1     2,-0.2     3,-1.1   0.965 119.9  42.8 -73.8 -50.0   -1.6   12.9  -23.4               
   37   37 A N  H 3X S+     0   0   48     -4,-1.8     4,-1.8     1,-0.3    -2,-0.2   0.895 108.5  59.4 -67.0 -37.3   -0.1   11.6  -20.1               
   38   38 A K  H 3< S+     0   0   40     -4,-3.0    -1,-0.3    -5,-0.2    -2,-0.2   0.623 119.0  31.3 -64.0 -17.0    1.7   15.0  -19.3               
   39   39 A I  H <> S+     0   0   50     -3,-1.1     4,-1.4    -4,-0.4    -2,-0.2   0.772 122.3  46.2-102.6 -47.5   -1.8   16.7  -19.4               
   40   40 A F  H  X S+     0   0   50     -4,-3.1     4,-2.5     2,-0.2     5,-0.2   0.954 110.7  48.5 -65.8 -54.2   -4.1   13.9  -18.1               
   41   41 A L  H  X S+     0   0   50     -4,-1.8     4,-3.0     1,-0.2     5,-0.2   0.932 113.5  43.7 -58.9 -54.5   -2.2   12.6  -15.1               
   42   42 A P  H  > S+     0   0   31      0, 0.0     4,-2.5     0, 0.0    -1,-0.2   0.845 113.4  54.4 -63.7 -30.7   -1.4   16.0  -13.4               
   43   43 A T  H  X S+     0   0   51     -4,-1.4     4,-2.1     2,-0.2    -2,-0.2   0.961 112.9  41.6 -63.1 -50.1   -5.0   17.1  -14.0               
   44   44 A I  H  X S+     0   0   48     -4,-2.5     4,-2.6     2,-0.2     5,-0.2   0.944 115.6  50.1 -63.2 -46.8   -6.4   13.9  -12.3               
   45   45 A Y  H  X S+     0   0   33     -4,-3.0     4,-2.6     1,-0.2    -2,-0.2   0.900 111.1  49.6 -59.5 -41.0   -3.8   14.2   -9.5               
   46   46 A S  H  X S+     0   0   51     -4,-2.5     4,-2.4    -5,-0.2    -1,-0.2   0.898 111.5  48.7 -65.6 -40.9   -4.7   17.9   -8.9               
   47   47 A I  H  X S+     0   0   51     -4,-2.1     4,-2.8     2,-0.2     5,-0.3   0.968 114.7  44.1 -60.9 -52.4   -8.4   17.1   -8.8               
   48   48 A I  H  X S+     0   0   44     -4,-2.6     4,-2.5     1,-0.2     5,-0.3   0.863 111.9  55.1 -65.5 -36.5   -7.9   14.2   -6.3               
   49   49 A F  H  X S+     0   0   28     -4,-2.6     4,-2.7    -5,-0.2     5,-0.3   0.979 113.5  39.8 -54.5 -58.3   -5.5   16.4   -4.3               
   50   50 A L  H  X S+     0   0   56     -4,-2.4     4,-1.8     1,-0.2     5,-0.2   0.931 122.4  39.9 -63.2 -48.6   -8.1   19.2   -3.9               
   51   51 A T  H  X S+     0   0   51     -4,-2.8     4,-2.5    -5,-0.2     5,-0.2   0.873 117.6  50.0 -70.3 -35.6  -11.1   17.0   -3.3               
   52   52 A G  H  X>S+     0   0   17     -4,-2.5     4,-2.5    -5,-0.3     5,-0.5   0.915 110.5  47.7 -70.9 -44.8   -9.2   14.5   -1.1               
   53   53 A I  H  X5S+     0   0   49     -4,-2.7     4,-1.9    -5,-0.3     5,-0.3   0.950 119.1  40.6 -60.1 -51.0   -7.6   17.2    1.2               
   54   54 A V  H  X5S+     0   0   54     -4,-1.8     4,-2.2    -5,-0.3    -2,-0.2   0.952 120.6  43.1 -64.1 -50.7  -11.0   18.9    1.8               
   55   55 A G  H  X5S+     0   0   32     -4,-2.5     4,-1.9    -5,-0.2    -3,-0.2   0.954 120.9  36.8 -64.4 -55.0  -13.1   15.7    2.0               
   56   56 A N  H  X5S+     0   0   24     -4,-2.5     4,-2.6    -5,-0.2     5,-0.2   0.889 115.5  55.6 -71.9 -34.8  -10.8   13.6    4.3               
   57   57 A G  H  X<S+     0   0   49     -4,-1.9     4,-2.7    -5,-0.5    -1,-0.2   0.936 108.7  48.5 -58.3 -45.8   -9.7   16.7    6.3               
   58   58 A L  H  X S+     0   0   48     -4,-2.2     4,-2.8    -5,-0.3     5,-0.2   0.903 110.7  50.7 -61.6 -42.4  -13.5   17.4    7.1               
   59   59 A V  H  X S+     0   0   51     -4,-1.9     4,-2.6     2,-0.2     5,-0.2   0.953 112.7  46.0 -60.3 -48.5  -14.1   13.7    8.1               
   60   60 A I  H  X S+     0   0   48     -4,-2.6     4,-2.2     2,-0.2    -2,-0.2   0.923 115.3  47.1 -60.6 -46.5  -11.0   13.8   10.5               
   61   61 A L  H  X S+     0   0   51     -4,-2.7     4,-2.0     2,-0.2     5,-0.2   0.962 113.6  46.4 -60.5 -53.5  -12.2   17.2   12.0               
   62   62 A V  H  X S+     0   0   36     -4,-2.8     4,-2.1     1,-0.2    -2,-0.2   0.920 116.8  44.2 -59.4 -44.9  -15.8   16.1   12.4               
   63   63 A M  H  < S+     0   0   52     -4,-2.6    -1,-0.2    -5,-0.2    -2,-0.2   0.829 110.0  57.0 -69.0 -31.7  -14.9   12.8   14.0               
   64   64 A G  H  < S+     0   0   64     -4,-2.2     3,-0.5    -5,-0.2    -2,-0.2   0.834 111.8  42.0 -66.4 -34.2  -12.2   14.6   16.1               
   65   65 A Y  H  < S+     0   0   72     -4,-2.0     3,-0.3     1,-0.2    -2,-0.2   0.858 112.9  53.8 -77.7 -36.3  -15.0   16.9   17.6               
   66   66 A Q    ><  +     0   0   39     -4,-2.1     3,-1.7    -5,-0.2     4,-0.5   0.002  66.9 140.2 -90.1  32.7  -17.5   14.0   18.0               
   67   67 A K  G >  S+     0   0   64     -3,-0.5     3,-0.6     1,-0.3    -1,-0.2   0.763  70.0  48.1 -49.8 -39.6  -15.2   11.8   20.1               
   68   68 A K  G 3  S+     0   0   90     -3,-0.3    -1,-0.3     1,-0.2    -2,-0.1   0.665 112.9  45.8 -75.8 -23.1  -17.9   10.6   22.5               
   69   69 A L  G <  S+     0   0   75     -3,-1.7     2,-0.3    -6,-0.1    -1,-0.2   0.218  77.1 134.7-110.6  10.8  -20.6    9.6   19.9               
   70   70 A R    <   -     0   0   59     -3,-0.6     2,-0.1    -4,-0.5    -3,-0.0  -0.473  45.8-143.2 -68.4 124.2  -18.5    7.7   17.3               
   71   71 A S     >  -     0   0   49     -2,-0.3     4,-1.5     1,-0.1     3,-0.1  -0.320  31.0-104.4 -68.9 164.4  -20.0    4.4   16.1               
   72   72 A M  H  > S+     0   0   75      1,-0.2     4,-1.6     2,-0.2     3,-0.2   0.908 125.1  53.8 -59.3 -37.4  -17.6    1.5   15.4               
   73   73 A T  H  > S+     0   0   67      1,-0.2     4,-2.2     2,-0.2    -1,-0.2   0.867 103.4  55.9 -65.8 -35.0  -17.9    2.2   11.7               
   74   74 A D  H  > S+     0   0   51      2,-0.2     4,-1.7     1,-0.2    -1,-0.2   0.847 103.3  55.8 -66.4 -32.1  -16.9    5.8   12.3               
   75   75 A K  H  X S+     0   0   51     -4,-1.5     4,-1.7    -3,-0.2    -2,-0.2   0.950 109.8  44.5 -63.8 -47.1  -13.7    4.6   13.9               
   76   76 A Y  H  X S+     0   0   51     -4,-1.6     4,-2.3     1,-0.2    -2,-0.2   0.908 111.7  52.5 -63.8 -41.3  -12.7    2.6   10.8               
   77   77 A R  H  X S+     0   0   51     -4,-2.2     4,-2.7     1,-0.2    -1,-0.2   0.816 104.9  56.5 -68.4 -27.0  -13.6    5.4    8.5               
   78   78 A L  H  X S+     0   0   43     -4,-1.7     4,-1.8     2,-0.2    -1,-0.2   0.937 108.6  46.7 -62.3 -48.2  -11.3    7.7   10.6               
   79   79 A H  H  X S+     0   0   55     -4,-1.7     4,-2.3     2,-0.2    -2,-0.2   0.903 112.9  50.8 -58.1 -40.8   -8.4    5.3    9.9               
   80   80 A L  H  X S+     0   0   39     -4,-2.3     4,-3.0     1,-0.2     5,-0.2   0.949 109.2  48.6 -65.4 -46.9   -9.4    5.3    6.2               
   81   81 A S  H  X S+     0   0   31     -4,-2.7     4,-2.3     1,-0.2    -1,-0.2   0.788 110.8  52.7 -63.9 -28.6   -9.5    9.1    6.0               
   82   82 A V  H  X S+     0   0   49     -4,-1.8     4,-2.3     2,-0.2    -1,-0.2   0.924 112.2  44.4 -69.2 -44.7   -6.0    9.2    7.7               
   83   83 A A  H  X S+     0   0   38     -4,-2.3     4,-1.7     2,-0.2    -2,-0.2   0.927 116.6  46.6 -62.5 -46.1   -4.6    6.7    5.1               
   84   84 A D  H  X S+     0   0   34     -4,-3.0     4,-3.0     2,-0.2    -2,-0.2   0.929 113.5  48.3 -61.6 -46.9   -6.3    8.6    2.2               
   85   85 A L  H  X S+     0   0   36     -4,-2.3     4,-2.1     1,-0.2    -2,-0.2   0.903 108.1  54.7 -63.7 -41.2   -5.1   12.0    3.5               
   86   86 A L  H  < S+     0   0   61     -4,-2.3    -1,-0.2     2,-0.2     4,-0.2   0.864 116.0  38.8 -60.3 -38.3   -1.5   10.7    4.0               
   87   87 A F  H >X S+     0   0   34     -4,-1.7     3,-2.2     2,-0.2     4,-0.7   0.936 111.3  56.6 -75.6 -46.5   -1.5    9.6    0.3               
   88   88 A V  H >< S+     0   0   33     -4,-3.0     3,-1.2     1,-0.3    -2,-0.2   0.857  98.6  61.5 -58.4 -37.1   -3.4   12.6   -1.1               
   89   89 A I  T 3< S+     0   0   74     -4,-2.1    -1,-0.3     1,-0.2    -2,-0.2   0.676 102.2  54.4 -62.2 -17.1   -0.7   15.0    0.4               
   90   90 A T  T X> S+     0   0   43     -3,-2.2     3,-1.8    -4,-0.2     4,-1.1   0.671  80.9  90.9 -88.9 -17.8    1.9   13.3   -1.9               
   91   91 A L  H <X S+     0   0   29     -3,-1.2     4,-2.2    -4,-0.7     5,-0.2   0.761  76.1  64.7 -53.9 -31.7   -0.1   13.8   -5.2               
   92   92 A P  H 3> S+     0   0   66      0, 0.0     4,-1.9     0, 0.0    -1,-0.3   0.867 101.3  51.8 -58.4 -34.2    1.7   17.2   -5.9               
   93   93 A F  H <> S+     0   0   56     -3,-1.8     4,-2.6     2,-0.2    -2,-0.2   0.948 110.3  47.7 -65.8 -45.3    5.0   15.2   -6.2               
   94   94 A W  H  X S+     0   0   57     -4,-1.1     4,-2.3     1,-0.2    -1,-0.2   0.834 110.3  53.1 -62.8 -36.0    3.4   12.8   -8.7               
   95   95 A A  H  X S+     0   0   25     -4,-2.2     4,-1.3     2,-0.2    -1,-0.2   0.910 111.9  43.8 -67.4 -42.2    1.9   15.8  -10.7               
   96   96 A V  H  X>S+     0   0   42     -4,-1.9     4,-2.5     2,-0.2     5,-0.8   0.919 114.2  50.8 -68.0 -42.5    5.4   17.5  -11.0               
   97   97 A D  H  <5S+     0   0   40     -4,-2.6    -2,-0.2     1,-0.2    -1,-0.2   0.918 110.4  49.6 -59.5 -43.7    7.0   14.1  -11.9               
   98   98 A A  H  <5S+     0   0   51     -4,-2.3    -1,-0.2     1,-0.2    -2,-0.2   0.781 118.9  37.0 -67.3 -31.6    4.4   13.5  -14.6               
   99   99 A V  H  <5S-     0   0   60     -4,-1.3    -2,-0.2    -3,-0.2    -1,-0.2   0.829 136.8 -15.4 -87.6 -38.9    4.8   17.0  -16.2               
  100  100 A A  T  <5S-     0   0   69     -4,-2.5     2,-0.3     1,-0.2    -3,-0.2   0.621 100.2 -40.3-133.7 -80.8    8.5   17.6  -15.9               
  101  101 A N      < -     0   0   39     -5,-0.8     2,-1.3    82,-0.1    -1,-0.2  -0.988  51.4 -90.6-164.1 157.7   11.1   15.8  -13.7               
  102  102 A W        +     0   0   50     82,-1.8     3,-0.4    -2,-0.3     7,-0.1  -0.650  48.6 161.1 -82.5  92.1   11.8   14.3  -10.3               
  103  103 A Y        +     0   0   85     -2,-1.3    -1,-0.2     1,-0.2   -10,-0.0   0.479  53.6  81.2 -85.7  -4.7   13.3   17.3   -8.4               
  104  104 A F  S  > S-     0   0   68      1,-0.2     4,-0.8   -11,-0.1    -1,-0.2   0.404  87.9-129.8 -97.5   2.1   12.8   15.9   -4.9               
  105  105 A G  H  >  -     0   0   53     -3,-0.4     4,-1.6     1,-0.2    -1,-0.2   0.070  38.4 -58.8  71.4 177.6   15.8   13.6   -4.5               
  106  106 A N  H  > S+     0   0   50      1,-0.2     4,-2.1     2,-0.2     5,-0.2   0.826 126.2  57.3 -69.0 -34.0   16.1   10.0   -3.4               
  107  107 A F  H  > S+     0   0   66      1,-0.2     4,-2.4     2,-0.2    -1,-0.2   0.954 109.9  43.2 -64.3 -49.7   14.6   10.3    0.1               
  108  108 A L  H  X S+     0   0   50     -4,-0.8     4,-2.7     2,-0.2     5,-0.2   0.850 109.0  60.5 -66.6 -29.4   11.2   11.7   -1.1               
  109  109 A C  H  X S+     0   0   36     -4,-1.6     4,-1.5     1,-0.2    -2,-0.2   0.956 110.8  39.6 -60.9 -48.2   11.3    9.1   -3.9               
  110  110 A K  H  X S+     0   0   18     -4,-2.1     4,-2.7     1,-0.2    -2,-0.2   0.903 114.7  55.0 -63.3 -42.4   11.3    6.3   -1.3               
  111  111 A A  H  X S+     0   0   47     -4,-2.4     4,-2.5     2,-0.2    -2,-0.2   0.901 106.9  47.5 -63.9 -43.8    8.8    8.2    0.9               
  112  112 A V  H  X S+     0   0   51     -4,-2.7     4,-2.4     2,-0.2    -1,-0.2   0.902 114.3  48.1 -66.8 -36.9    6.1    8.7   -1.8               
  113  113 A H  H  X S+     0   0   46     -4,-1.5     4,-2.7    -5,-0.2     5,-0.2   0.934 112.2  48.5 -67.3 -44.8    6.3    5.0   -2.7               
  114  114 A V  H  X S+     0   0   31     -4,-2.7     4,-2.7     1,-0.2    -2,-0.2   0.935 113.6  47.6 -58.2 -46.2    6.1    3.9    1.0               
  115  115 A I  H  X S+     0   0   36     -4,-2.5     4,-2.4     2,-0.2    -2,-0.2   0.902 111.3  51.3 -64.1 -41.2    3.1    6.2    1.4               
  116  116 A Y  H  X S+     0   0   46     -4,-2.4     4,-2.7     2,-0.2    -2,-0.2   0.966 113.1  44.2 -56.7 -53.1    1.5    4.8   -1.8               
  117  117 A T  H  X S+     0   0   42     -4,-2.7     4,-2.4     1,-0.2     5,-0.3   0.898 113.0  51.7 -65.1 -40.2    1.9    1.1   -0.6               
  118  118 A V  H  X S+     0   0   29     -4,-2.7     4,-2.5    -5,-0.2     5,-0.3   0.926 112.8  46.0 -58.6 -46.9    0.7    2.0    2.9               
  119  119 A N  H  X S+     0   0   26     -4,-2.4     4,-2.5     2,-0.2     5,-0.3   0.952 112.5  49.5 -63.9 -47.7   -2.4    3.7    1.5               
  120  120 A L  H  X S+     0   0   51     -4,-2.7     4,-1.5     1,-0.2     5,-0.2   0.940 120.3  34.9 -57.4 -52.3   -3.2    0.8   -1.0               
  121  121 A Y  H  X S+     0   0   34     -4,-2.4     4,-2.1    -5,-0.2     5,-0.2   0.922 119.3  48.2 -73.5 -44.0   -2.9   -2.0    1.7               
  122  122 A S  H  X S+     0   0   31     -4,-2.5     4,-2.5    -5,-0.3    -2,-0.2   0.915 110.0  52.9 -65.9 -39.0   -4.3   -0.1    4.7               
  123  123 A S  H  X S+     0   0   44     -4,-2.5     4,-1.8    -5,-0.3    -2,-0.2   0.956 114.0  40.1 -62.2 -51.2   -7.4    1.2    2.8               
  124  124 A V  H  X S+     0   0   45     -4,-1.5     4,-2.0    -5,-0.3    -1,-0.2   0.897 114.9  52.3 -68.2 -38.2   -8.5   -2.3    1.5               
  125  125 A L  H  X S+     0   0   38     -4,-2.1     4,-2.5     2,-0.2    -1,-0.2   0.907 107.0  53.6 -66.0 -36.6   -7.7   -4.0    4.8               
  126  126 A I  H  X S+     0   0   45     -4,-2.5     4,-2.5    -5,-0.2    -1,-0.2   0.909 106.7  52.6 -61.5 -39.5   -9.8   -1.4    6.6               
  127  127 A L  H  X S+     0   0   52     -4,-1.8     4,-2.0     2,-0.2    -2,-0.2   0.902 108.7  49.8 -63.1 -38.2  -12.7   -2.3    4.2               
  128  128 A A  H  X S+     0   0   25     -4,-2.0     4,-2.5     2,-0.2    -2,-0.2   0.939 111.2  49.0 -63.1 -43.0  -12.2   -6.0    5.2               
  129  129 A F  H  X S+     0   0   52     -4,-2.5     4,-2.6     2,-0.2    -2,-0.2   0.881 108.8  52.4 -65.1 -37.7  -12.3   -4.9    8.9               
  130  130 A I  H  X S+     0   0   52     -4,-2.5     4,-2.2     2,-0.2    -1,-0.2   0.918 110.3  49.6 -59.9 -42.6  -15.5   -2.9    8.3               
  131  131 A S  H  X S+     0   0   31     -4,-2.0     4,-2.6     2,-0.2    -2,-0.2   0.924 110.8  48.5 -65.5 -42.2  -17.0   -6.1    6.7               
  132  132 A L  H  X S+     0   0   50     -4,-2.5     4,-2.9     2,-0.2     5,-0.2   0.902 110.0  52.2 -62.7 -42.0  -16.0   -8.2    9.8               
  133  133 A D  H  X S+     0   0   45     -4,-2.6     4,-2.3     2,-0.2    -2,-0.2   0.905 111.3  47.3 -61.4 -40.6  -17.5   -5.5   12.1               
  134  134 A R  H  X S+     0   0   51     -4,-2.2     4,-1.5     2,-0.2     5,-0.3   0.919 111.1  51.7 -65.2 -43.1  -20.8   -5.8   10.1               
  135  135 A Y  H >X>S+     0   0   31     -4,-2.6     4,-2.9     1,-0.2     3,-0.7   0.964 113.1  44.2 -56.1 -53.2  -20.6   -9.6   10.2               
  136  136 A L  H 3X5S+     0   0   34     -4,-2.9     4,-0.8     1,-0.2    -2,-0.2   0.885 113.0  51.9 -60.2 -41.8  -20.2   -9.5   14.1               
  137  137 A A  H 3<5S+     0   0   56     -4,-2.3    -1,-0.2    -5,-0.2    -2,-0.2   0.755 122.1  29.8 -66.6 -28.5  -23.0   -6.8   14.4               
  138  138 A I  H <<5S+     0   0   65     -4,-1.5     3,-0.5    -3,-0.7    -2,-0.2   0.864 128.6  34.0 -99.3 -48.4  -25.5   -8.9   12.4               
  139  139 A V  H  <5S+     0   0   77     -4,-2.9     3,-0.2    -5,-0.3    -3,-0.2   0.913 130.6  31.3 -80.0 -43.3  -24.6  -12.6   13.0               
  140  140 A H  S >X<S+     0   0   39     -4,-0.8     3,-0.9    -5,-0.7     4,-0.8  -0.213  76.4 147.4-107.3  37.1  -23.4  -12.3   16.6               
  141  141 A A  T 34  +     0   0   52     -3,-0.5     3,-0.4     1,-0.2     4,-0.2   0.749  64.7  56.3 -53.1 -33.7  -25.7   -9.5   17.6               
  142  142 A T  T 34 S+     0   0   90      1,-0.2    -1,-0.2    -3,-0.2     3,-0.2   0.897 124.7  19.1 -65.6 -42.3  -26.1  -10.6   21.3               
  143  143 A N  T <4 S+     0   0   69     -3,-0.9     3,-0.3     1,-0.1    -1,-0.2   0.099  93.0 108.8-118.4  18.0  -22.4  -10.7   22.2               
  144  144 A S     X  +     0   0   23     -4,-0.8     4,-2.3    -3,-0.4     5,-0.3   0.700  57.4  77.8 -73.6 -21.6  -20.9   -8.4   19.5               
  145  145 A Q  H  > S+     0   0   65     -4,-0.2     4,-2.0     1,-0.2    -1,-0.2   0.917  95.5  43.5 -65.3 -46.3  -20.0   -5.3   21.5               
  146  146 A R  H  > S+     0   0   64     -3,-0.3     4,-2.4     2,-0.2    -1,-0.2   0.947 117.7  42.7 -63.4 -54.1  -16.8   -6.6   23.2               
  147  147 A P  H  > S+     0   0   59      0, 0.0     4,-2.7     0, 0.0    -2,-0.2   0.904 115.1  51.0 -64.7 -37.4  -15.2   -8.3   20.0               
  148  148 A R  H  X S+     0   0   45     -4,-2.3     4,-2.3     2,-0.2    -2,-0.2   0.899 111.5  47.6 -64.5 -40.5  -16.2   -5.3   17.8               
  149  149 A K  H  X S+     0   0   48     -4,-2.0     4,-1.8    -5,-0.3     5,-0.3   0.930 113.1  48.4 -63.3 -45.8  -14.6   -2.8   20.3               
  150  150 A L  H  X>S+     0   0   44     -4,-2.4     4,-2.1     2,-0.2     5,-2.0   0.913 112.5  48.9 -59.3 -45.0  -11.4   -5.0   20.4               
  151  151 A L  I  <>S+     0   0   42     -4,-2.7     5,-1.8     1,-0.2    -2,-0.2   0.931 117.0  40.8 -60.2 -47.3  -11.3   -5.2   16.6               
  152  152 A A  I  <5S+     0   0   67     -4,-2.3    -1,-0.2     1,-0.2    -2,-0.2   0.666 124.3  34.9 -78.1 -24.5  -11.7   -1.4   16.2               
  153  153 A E  I  <5S+     0   0   75     -4,-1.8    -2,-0.2    -5,-0.1    -1,-0.2   0.619 135.8   6.3-107.6 -20.3   -9.4   -0.2   19.0               
  154  154 A K  I >X5S+     0   0   49     -4,-2.1     3,-1.1    -5,-0.3     4,-1.1   0.639 120.9  53.8-128.3 -53.6   -6.6   -2.8   19.1               
  155  155 A V  I 3><S+     0   0   43     -5,-2.0     4,-2.8     1,-0.3     5,-0.3   0.834  97.7  67.6 -67.1 -31.4   -6.6   -5.4   16.3               
  156  156 A V  H 3>XS+     0   0   47     -5,-1.8     5,-1.5    -6,-0.3     4,-1.1   0.835 101.3  49.4 -55.9 -33.0   -6.7   -2.7   13.5               
  157  157 A Y  I <4>S+     0   0   49     -3,-1.1     5,-2.7     3,-0.2    -1,-0.2   0.956 120.1  33.5 -72.7 -47.1   -3.2   -1.6   14.5               
  158  158 A V  I  <5S+     0   0   69     -4,-1.1    -2,-0.2     1,-0.2    -1,-0.2   0.726 126.2  42.1 -80.1 -24.8   -1.6   -5.1   14.4               
  159  159 A G  I  <5S+     0   0   71     -4,-2.8    -3,-0.2    -5,-0.2    -1,-0.2   0.474 132.9  12.6-103.4  -8.1   -3.8   -6.5   11.6               
  160  160 A V  I  X5S+     0   0   23     -4,-1.1     4,-2.4    -5,-0.3    -3,-0.2   0.551 126.6  39.6-128.0 -61.7   -3.8   -3.4    9.2               
  161  161 A W  I  ><S+     0   0   51     -5,-1.5     4,-2.2     2,-0.2     5,-0.2   0.914 116.6  45.7 -69.2 -47.3   -1.2   -0.7   10.0               
  162  162 A I  H  ><S+     0   0   48     -5,-2.7     4,-2.6     2,-0.2     5,-0.2   0.959 116.9  44.8 -62.2 -51.2    1.8   -2.9   11.1               
  163  163 A P  H  > S+     0   0   53      0, 0.0     4,-2.4     0, 0.0    -2,-0.2   0.918 112.6  52.1 -58.1 -43.6    1.4   -5.3    8.0               
  164  164 A A  H  < S+     0   0   18     -4,-2.4    -2,-0.2     1,-0.2     4,-0.2   0.894 113.7  43.8 -60.1 -40.8    0.9   -2.4    5.6               
  165  165 A L  H >< S+     0   0   56     -4,-2.2     3,-1.1     2,-0.2    -1,-0.2   0.865 112.9  50.9 -70.5 -40.0    4.2   -0.7    6.9               
  166  166 A L  H >< S+     0   0   61     -4,-2.6     3,-1.5     1,-0.2    -2,-0.2   0.893 104.2  58.6 -65.8 -36.9    6.1   -4.0    6.9               
  167  167 A L  T 3< S+     0   0   69     -4,-2.4     4,-0.3     1,-0.3    -1,-0.2   0.536  94.1  67.4 -72.1  -4.8    5.0   -4.7    3.3               
  168  168 A T  T <>  +     0   0   21     -3,-1.1     4,-2.5    -4,-0.2    -1,-0.3   0.388  69.9  95.8 -91.3  -1.4    6.7   -1.3    2.2               
  169  169 A I  H <> S+     0   0   51     -3,-1.5     4,-1.8     2,-0.2    -1,-0.2   0.922  83.5  51.9 -54.9 -43.4   10.2   -2.7    2.9               
  170  170 A P  H  > S+     0   0   61      0, 0.0     4,-3.0     0, 0.0     5,-0.4   0.937 109.1  49.3 -58.1 -46.6   10.6   -3.6   -0.8               
  171  171 A D  H  > S+     0   0   35     -4,-0.3     4,-2.4     1,-0.2    -2,-0.2   0.924 110.0  51.8 -57.7 -43.5    9.5   -0.0   -1.9               
  172  172 A F  H  < S+     0   0   53     -4,-2.5    -1,-0.2     1,-0.2    -3,-0.1   0.858 117.3  38.9 -62.2 -35.3   12.1    1.4    0.6               
  173  173 A I  H  < S+     0   0   70     -4,-1.8    -2,-0.2    -3,-0.2    -1,-0.2   0.959 125.7  32.4 -76.5 -53.7   14.9   -0.8   -0.9               
  174  174 A F  H  < S+     0   0   30     -4,-3.0    15,-2.4    -5,-0.2     2,-0.5   0.713  90.9  96.7 -89.7 -23.3   14.1   -0.7   -4.6               
  175  175 A A  E  <  +A  188   0A  24     -4,-2.4     2,-0.3    -5,-0.4    13,-0.3  -0.558  54.4 145.6 -69.4 115.3   12.6    2.8   -5.1               
  176  176 A N  E     -A  187   0A  36     11,-2.6    11,-1.9    -2,-0.5     2,-0.5  -0.888  50.5-104.4-140.9 171.3   15.5    5.0   -6.3               
  177  177 A V  E     +A  186   0A  66     -2,-0.3     2,-0.3     9,-0.2     9,-0.2  -0.925  38.1 179.8-100.4 126.5   16.2    8.0   -8.6               
  178  178 A S  E     -A  185   0A  45      7,-2.4     7,-3.1    -2,-0.5     2,-0.4  -0.912  27.1-123.8-119.9 151.7   17.9    7.2  -12.0               
  179  179 A E  E     +A  184   0A  82     -2,-0.3     2,-0.3     5,-0.2     5,-0.2  -0.831  42.1 153.8 -90.8 128.9   18.9    9.5  -14.9               
  180  180 A A  E >   -A  183   0A  54      3,-2.6     3,-1.9    -2,-0.4    -2,-0.0  -0.934  62.7  -3.4-153.0 137.8   17.4    8.6  -18.3               
  181  181 A D  T 3  S-     0   0   94     -2,-0.3     3,-0.1     1,-0.3    -1,-0.0   0.865 127.8 -53.7  47.3  50.4   16.6   10.8  -21.4               
  182  182 A D  T 3  S+     0   0   98      1,-0.2     2,-0.3     0, 0.0    -1,-0.3   0.649 121.9  96.3  58.9  19.9   17.7   14.1  -19.8               
  183  183 A R  E <  S-A  180   0A  32     -3,-1.9    -3,-2.6   -82,-0.0     2,-0.5  -0.967  74.9-122.0-132.8 152.8   15.3   13.5  -16.8               
  184  184 A Y  E     -A  179   0A  41     -2,-0.3   -82,-1.8    -5,-0.2     2,-0.5  -0.839  30.6-160.1 -87.3 124.4   15.4   12.1  -13.3               
  185  185 A I  E     -A  178   0A  44     -7,-3.1    -7,-2.4    -2,-0.5     2,-0.7  -0.933   8.7-153.9-108.9 126.4   13.0    9.2  -12.9               
  186  186 A C  E     +A  177   0A  66     -2,-0.5     2,-0.3    -9,-0.2    -9,-0.2  -0.905  44.5 124.8 -97.4 108.2   11.7    8.1   -9.5               
  187  187 A D  E     -A  176   0A  47    -11,-1.9   -11,-2.6    -2,-0.7     2,-0.8  -0.901  66.4 -81.4-150.8 175.4   10.8    4.4   -9.8               
  188  188 A R  E     -A  175   0A  71    -13,-0.3     2,-0.6    -2,-0.3   -13,-0.3  -0.810  40.7-160.5 -86.6 110.4   11.3    0.8   -8.5               
  189  189 A F        -     0   0   62    -15,-2.4   -12,-0.0    -2,-0.8    -2,-0.0  -0.833  11.8-171.9 -95.7 116.3   14.5   -0.6  -10.0               
  190  190 A Y        -     0   0   63     -2,-0.6     3,-0.1     1,-0.1     6,-0.0  -0.757  34.1-118.9-107.5 155.4   14.7   -4.4   -9.7               
  191  191 A P  S    S-     0   0   98      0, 0.0     2,-0.3     0, 0.0    -1,-0.1   0.734  92.6 -11.9 -62.5 -28.5   17.6   -6.8  -10.5               
  192  192 A N  S >> S-     0   0   49      1,-0.0     3,-1.2     0, 0.0     4,-0.7  -0.961  77.8 -90.5-163.6 169.4   15.5   -8.6  -13.2               
  193  193 A D  H 3> S+     0   0   71     -2,-0.3     4,-2.0     1,-0.3     3,-0.2   0.743 114.2  70.6 -64.1 -24.0   11.9   -8.9  -14.6               
  194  194 A L  H 3> S+     0   0   67      1,-0.2     4,-2.6     2,-0.2    -1,-0.3   0.891  95.4  54.4 -61.4 -36.9   11.0  -11.8  -12.3               
  195  195 A W  H <> S+     0   0   55     -3,-1.2     4,-2.5     2,-0.2    -1,-0.2   0.877 104.4  54.7 -64.1 -35.9   11.0   -9.3   -9.4               
  196  196 A V  H  X S+     0   0   54     -4,-0.7     4,-2.8     2,-0.2     5,-0.2   0.970 111.5  44.1 -58.7 -51.8    8.5   -7.1  -11.2               
  197  197 A V  H  X S+     0   0   45     -4,-2.0     4,-2.9     1,-0.2    -2,-0.2   0.904 112.6  52.5 -60.8 -43.9    6.2  -10.1  -11.6               
  198  198 A V  H  X S+     0   0   52     -4,-2.6     4,-2.2     2,-0.2    -1,-0.2   0.928 114.5  41.2 -59.6 -47.2    6.7  -11.2   -7.9               
  199  199 A F  H  X S+     0   0   52     -4,-2.5     4,-2.5     2,-0.2    -2,-0.2   0.884 113.8  52.2 -73.9 -35.5    5.9   -7.7   -6.6               
  200  200 A Q  H  X S+     0   0   52     -4,-2.8     4,-2.4    -5,-0.2    -2,-0.2   0.949 111.3  48.6 -60.7 -44.6    2.9   -7.2   -9.0               
  201  201 A F  H  X S+     0   0   51     -4,-2.9     4,-2.7     1,-0.2    -2,-0.2   0.911 110.5  50.8 -62.0 -41.2    1.6  -10.6   -7.8               
  202  202 A Q  H  X S+     0   0   48     -4,-2.2     4,-2.9     2,-0.2     5,-0.4   0.932 109.6  50.8 -58.7 -46.3    2.1   -9.5   -4.1               
  203  203 A H  H  X S+     0   0   46     -4,-2.5     4,-2.4     1,-0.2     5,-0.3   0.905 112.8  45.7 -60.6 -41.9    0.1   -6.2   -4.9               
  204  204 A I  H  X>S+     0   0   44     -4,-2.4     5,-2.2     3,-0.2     4,-2.0   0.928 115.5  47.2 -65.7 -44.8   -2.8   -8.3   -6.5               
  205  205 A M  I  <>S+     0   0   39     -4,-2.7     5,-2.8     3,-0.2    -2,-0.2   0.946 124.3  29.5 -64.1 -48.9   -2.8  -10.8   -3.6               
  206  206 A V  I  <5S+     0   0   59     -4,-2.9    -2,-0.2    -5,-0.2    -3,-0.2   0.849 126.1  44.7 -81.9 -35.9   -2.7   -8.2   -0.7               
  207  207 A G  I  <5S-     0   0   54     -4,-2.4    -3,-0.2    -5,-0.4    -2,-0.2   0.761 135.1  -0.2 -80.6 -27.2   -4.6   -5.3   -2.6               
  208  208 A L  I  X5S+     0   0   43     -4,-2.0     4,-1.9    -5,-0.3    -3,-0.2   0.711 123.7  46.0-127.3 -60.6   -7.4   -7.4   -4.2               
  209  209 A I  I  ><S+     0   0   51     -5,-2.2     4,-2.8     2,-0.2     5,-0.2   0.951 111.3  41.9 -72.2 -55.6   -7.6  -11.2   -3.5               
  210  210 A L  H  ><S+     0   0   57     -5,-2.8     4,-1.8     2,-0.2    -1,-0.2   0.942 122.6  38.9 -63.0 -49.5   -7.0  -11.7    0.3               
  211  211 A P  H  > S+     0   0   35      0, 0.0     4,-2.8     0, 0.0    -1,-0.2   0.897 114.8  56.7 -65.1 -37.2   -9.2   -8.7    1.4               
  212  212 A G  H  X S+     0   0   43     -4,-1.9     4,-3.1     2,-0.2     5,-0.2   0.929 106.0  49.0 -57.8 -46.9  -11.7   -9.6   -1.4               
  213  213 A I  H  X S+     0   0   53     -4,-2.8     4,-2.6     2,-0.2     5,-0.2   0.920 113.3  47.1 -59.3 -46.4  -12.2  -13.2   -0.0               
  214  214 A V  H  X S+     0   0   51     -4,-1.8     4,-2.3    -5,-0.2    -2,-0.2   0.935 115.5  45.8 -61.5 -47.0  -12.7  -11.9    3.6               
  215  215 A I  H  X S+     0   0   33     -4,-2.8     4,-2.6     2,-0.2     5,-0.2   0.962 115.0  45.7 -60.0 -55.0  -15.2   -9.2    2.3               
  216  216 A L  H  X S+     0   0   51     -4,-3.1     4,-2.8     1,-0.2    -2,-0.2   0.911 112.9  50.6 -59.4 -44.3  -17.1  -11.7    0.1               
  217  217 A S  H  X S+     0   0   54     -4,-2.6     4,-1.9    -5,-0.2    -1,-0.2   0.927 111.7  48.5 -59.8 -45.3  -17.3  -14.4    2.8               
  218  218 A C  H  X S+     0   0   30     -4,-2.3     4,-2.4    -5,-0.2    -2,-0.2   0.937 114.7  44.1 -59.9 -49.5  -18.6  -11.8    5.3               
  219  219 A Y  H  X S+     0   0   48     -4,-2.6     4,-3.0     2,-0.2     5,-0.3   0.873 108.0  58.1 -70.0 -34.5  -21.3  -10.5    2.9               
  220  220 A C  H  X S+     0   0   54     -4,-2.8     4,-2.2    -5,-0.2    -1,-0.2   0.955 113.4  39.9 -55.9 -48.4  -22.4  -14.0    1.8               
  221  221 A I  H  X S+     0   0   52     -4,-1.9     4,-1.8     2,-0.2    -2,-0.2   0.913 115.7  51.6 -67.8 -43.3  -23.1  -14.9    5.5               
  222  222 A I  H  X S+     0   0   46     -4,-2.4     4,-2.1     2,-0.2    -2,-0.2   0.928 111.7  45.8 -60.9 -47.3  -24.7  -11.4    6.2               
  223  223 A I  H  X S+     0   0   54     -4,-3.0     4,-1.7     1,-0.2    -2,-0.2   0.942 111.4  53.4 -62.3 -45.1  -27.1  -11.6    3.2               
  224  224 A S  H  < S+     0   0   66     -4,-2.2     4,-0.3    -5,-0.3    -1,-0.2   0.813 114.1  42.0 -60.1 -33.6  -28.0  -15.2    4.1               
  225  225 A K  H >< S+     0   0   57     -4,-1.8     3,-0.7     1,-0.1    -1,-0.2   0.802 110.7  55.5 -82.7 -32.2  -28.9  -14.1    7.7               
  226  226 A L  H >< S+     0   0   46     -4,-2.1     3,-1.8     1,-0.2    -2,-0.2   0.734  87.9  75.9 -77.5 -22.3  -30.7  -10.9    6.7               
  227  227 A S  T 3< S+     0   0   76     -4,-1.7    -1,-0.2     1,-0.3    -2,-0.1   0.841 101.8  44.8 -51.6 -31.2  -33.2  -12.7    4.3               
  228  228 A H  T <  S+     0   0   78     -3,-0.7     2,-0.4    -4,-0.3    -1,-0.3   0.414 103.7  83.9 -91.6  -2.2  -34.9  -13.8    7.6               
  229  229 A S    <   -     0   0   53     -3,-1.8    -4,-0.0     1,-0.1    -3,-0.0  -0.891  53.5-162.4-120.2 138.2  -34.8  -10.3    9.3               
  230  230 A K        +     0   0   86     -2,-0.4     2,-0.9     4,-0.0    -1,-0.1   0.246  44.8 137.2 -91.8  10.5  -37.1   -7.1    9.2               
  231  231 A G     >  -     0   0   56      1,-0.2     4,-1.8    -5,-0.1     3,-0.1  -0.463  32.1-172.4 -72.5 102.8  -34.5   -4.7   10.6               
  232  232 A H  H  > S+     0   0   64     -2,-0.9     4,-2.2     1,-0.2    -1,-0.2   0.904  84.2  49.8 -59.3 -46.8  -34.6   -1.4    8.6               
  233  233 A Q  H  > S+     0   0   70      1,-0.2     4,-2.3     2,-0.2    -1,-0.2   0.882 109.2  52.8 -64.0 -36.4  -31.5    0.3   10.2               
  234  234 A K  H  > S+     0   0   61      2,-0.2     4,-2.3     1,-0.2    -1,-0.2   0.922 109.3  49.6 -64.4 -42.0  -29.4   -2.8    9.7               
  235  235 A R  H  X S+     0   0   51     -4,-1.8     4,-2.6     2,-0.2    -2,-0.2   0.890 109.9  51.1 -63.6 -41.1  -30.4   -2.8    5.9               
  236  236 A K  H  X S+     0   0   52     -4,-2.2     4,-2.0     2,-0.2    -2,-0.2   0.943 111.6  46.3 -62.3 -48.0  -29.4    0.9    5.6               
  237  237 A A  H  X S+     0   0   56     -4,-2.3     4,-1.7     1,-0.2    -2,-0.2   0.898 113.6  50.0 -61.7 -40.9  -26.0    0.4    7.2               
  238  238 A L  H  X S+     0   0   49     -4,-2.3     4,-2.8     2,-0.2     5,-0.2   0.924 107.5  53.4 -60.5 -47.9  -25.4   -2.7    5.0               
  239  239 A K  H  X S+     0   0   52     -4,-2.6     4,-2.4     1,-0.2    -2,-0.2   0.913 109.0  50.0 -55.7 -44.9  -26.4   -0.7    1.8               
  240  240 A T  H  X S+     0   0   54     -4,-2.0     4,-1.8     2,-0.2    -1,-0.2   0.879 113.1  44.9 -61.8 -41.8  -23.8    1.9    2.7               
  241  241 A T  H  X S+     0   0   54     -4,-1.7     4,-2.0     2,-0.2    -2,-0.2   0.897 113.0  50.2 -74.9 -36.4  -21.0   -0.6    3.3               
  242  242 A V  H  X S+     0   0   54     -4,-2.8     4,-2.8     2,-0.2     5,-0.2   0.930 111.0  49.7 -63.0 -45.8  -21.8   -2.6    0.1               
  243  243 A I  H  X S+     0   0   52     -4,-2.4     4,-2.5    -5,-0.2     5,-0.2   0.921 111.0  49.8 -59.5 -45.4  -21.8    0.6   -2.0               
  244  244 A L  H  X S+     0   0   53     -4,-1.8     4,-2.3     2,-0.2    -1,-0.2   0.907 114.2  44.9 -58.1 -45.0  -18.4    1.6   -0.5               
  245  245 A I  H  X S+     0   0   50     -4,-2.0     4,-2.5     2,-0.2     5,-0.2   0.918 113.7  47.6 -69.5 -46.6  -16.9   -1.8   -1.3               
  246  246 A L  H  X S+     0   0   53     -4,-2.8     4,-2.4     2,-0.2    -2,-0.2   0.911 113.8  48.8 -62.2 -42.1  -18.3   -2.1   -4.9               
  247  247 A A  H  X S+     0   0   51     -4,-2.5     4,-1.9    -5,-0.2    -2,-0.2   0.916 110.7  51.1 -64.1 -42.2  -17.1    1.5   -5.6               
  248  248 A F  H  X S+     0   0   43     -4,-2.3     4,-1.7     2,-0.2     3,-0.2   0.952 114.4  42.0 -59.5 -51.3  -13.6    0.7   -4.2               
  249  249 A F  H  X S+     0   0   49     -4,-2.5     4,-2.5     1,-0.2    -1,-0.2   0.865 111.2  56.4 -68.3 -33.3  -13.2   -2.5   -6.3               
  250  250 A A  H  < S+     0   0   63     -4,-2.4    -1,-0.2    -5,-0.2    -2,-0.2   0.858 108.1  49.2 -63.9 -34.9  -14.7   -0.7   -9.4               
  251  251 A C  H  < S+     0   0   29     -4,-1.9     4,-0.4    -3,-0.2    -2,-0.2   0.897 120.2  35.2 -66.5 -42.6  -12.0    2.0   -9.1               
  252  252 A W  H  X S+     0   0   41     -4,-1.7     4,-2.3     1,-0.2     3,-0.4   0.732  97.3  80.3 -88.4 -25.6   -9.1   -0.5   -8.8               
  253  253 A L  H  X S+     0   0   46     -4,-2.5     4,-2.1     1,-0.2     5,-0.2   0.873  90.3  52.4 -55.7 -44.9  -10.2   -3.4  -11.1               
  254  254 A P  H  > S+     0   0   58      0, 0.0     4,-2.0     0, 0.0    -1,-0.2   0.892 112.1  47.5 -59.7 -37.9   -9.1   -1.7  -14.4               
  255  255 A Y  H  > S+     0   0   24     -3,-0.4     4,-2.5    -4,-0.4     5,-0.3   0.938 110.0  51.1 -66.7 -46.2   -5.6   -1.2  -13.0               
  256  256 A M  H  X S+     0   0   56     -4,-2.3     4,-1.5     1,-0.2    -1,-0.2   0.844 110.0  50.8 -62.6 -33.3   -5.4   -4.8  -11.7               
  257  257 A I  H  X S+     0   0   52     -4,-2.1     4,-2.2    -5,-0.2    -1,-0.2   0.940 109.7  51.4 -64.7 -46.8   -6.4   -6.0  -15.2               
  258  258 A G  H  X S+     0   0   33     -4,-2.0     4,-2.4     1,-0.2    -2,-0.2   0.945 112.1  43.7 -56.4 -53.4   -3.6   -3.8  -16.8               
  259  259 A I  H  X S+     0   0   56     -4,-2.5     4,-2.8     1,-0.2    -1,-0.2   0.823 111.2  55.9 -65.6 -29.6   -0.8   -5.1  -14.5               
  260  260 A S  H  X S+     0   0   51     -4,-1.5     4,-1.7    -5,-0.3    -1,-0.2   0.915 109.1  46.4 -67.3 -39.9   -2.1   -8.7  -15.0               
  261  261 A I  H  X S+     0   0   51     -4,-2.2     4,-1.6     2,-0.2    -2,-0.2   0.931 112.5  50.5 -64.8 -44.6   -1.7   -8.2  -18.8               
  262  262 A D  H  X S+     0   0   51     -4,-2.4     4,-2.6     1,-0.2     3,-0.5   0.947 109.5  50.7 -58.6 -46.3    1.8   -6.7  -18.3               
  263  263 A S  H  X S+     0   0   42     -4,-2.8     4,-1.9     1,-0.2    -1,-0.2   0.855 108.3  53.0 -57.4 -37.7    2.7   -9.7  -16.1               
  264  264 A F  H  <>S+     0   0   31     -4,-1.7     5,-1.8     2,-0.2     6,-1.8   0.814 109.2  48.7 -70.9 -29.6    1.5  -12.0  -18.9               
  265  265 A I  H ><5S+     0   0   42     -4,-1.6     3,-1.9    -3,-0.5    -2,-0.2   0.953 112.6  47.9 -68.8 -49.6    3.7  -10.2  -21.4               
  266  266 A L  H 3<5S+     0   0   76     -4,-2.6    -2,-0.2     1,-0.3    -3,-0.2   0.808 111.6  50.2 -62.2 -33.8    6.8  -10.5  -19.0               
  267  267 A L  T 3<5S-     0   0   67     -4,-1.9    -1,-0.3    -5,-0.2    -2,-0.2   0.289 112.9-121.1 -83.6   6.5    6.0  -14.2  -18.4               
  268  268 A E  T < 5S+     0   0   61     -3,-1.9    -3,-0.2     2,-0.2     3,-0.1   0.646  79.4 124.7  55.9  21.3    5.9  -14.7  -22.3               
  269  269 A I  S   <S+     0   0   76     -5,-1.8     2,-0.5     1,-0.2    -4,-0.2   0.860  78.3  37.4 -70.6 -37.2    2.3  -16.0  -21.9               
  270  270 A I  S    S-     0   0   45     -6,-1.8     2,-0.6    -9,-0.1    -1,-0.2  -0.983  75.5-163.8-116.7 121.5    1.2  -13.3  -24.4               
  271  271 A K        +     0   0   88     -2,-0.5     2,-0.3    -3,-0.1    -6,-0.1  -0.938  29.1 145.7-107.3 108.9    3.6  -12.6  -27.3               
  272  272 A Q        -     0   0   77     -2,-0.6     2,-0.1    -7,-0.0    -2,-0.0  -0.861  46.0 -93.1-135.0 167.5    2.8   -9.2  -29.0               
  273  273 A G    >>  -     0   0   56     -2,-0.3     4,-1.4     1,-0.1     3,-1.3  -0.340  45.5 -93.3 -79.0 170.1    4.6   -6.3  -30.7               
  274  274 A C  H 3> S+     0   0   56      1,-0.3     4,-2.9     2,-0.2     5,-0.3   0.759 120.4  64.1 -56.7 -31.5    5.8   -3.1  -29.1               
  275  275 A E  H 3> S+     0   0   69      2,-0.2     4,-1.8     1,-0.2    -1,-0.3   0.895 104.4  47.2 -60.8 -38.8    2.6   -1.2  -30.0               
  276  276 A F  H <> S+     0   0   56     -3,-1.3     4,-2.6     2,-0.2    -2,-0.2   0.943 112.9  48.0 -68.4 -45.8    0.6   -3.5  -27.7               
  277  277 A E  H  X S+     0   0   53     -4,-1.4     4,-2.8     2,-0.2     5,-0.2   0.953 112.6  48.2 -60.3 -48.6    3.1   -3.2  -24.8               
  278  278 A N  H  X S+     0   0   50     -4,-2.9     4,-2.2     1,-0.2    -1,-0.2   0.869 112.3  50.6 -60.2 -37.4    3.1    0.7  -25.2               
  279  279 A T  H  X S+     0   0   49     -4,-1.8     4,-2.2    -5,-0.3    -1,-0.2   0.936 110.6  48.7 -65.5 -45.4   -0.7    0.6  -25.2               
  280  280 A V  H  X S+     0   0   47     -4,-2.6     4,-2.5     2,-0.2    -2,-0.2   0.951 112.1  48.4 -59.8 -49.2   -0.8   -1.6  -22.1               
  281  281 A H  H  X S+     0   0   54     -4,-2.8     4,-2.2     1,-0.2    -2,-0.2   0.903 110.8  51.1 -61.0 -41.8    1.6    0.7  -20.2               
  282  282 A K  H  X S+     0   0   53     -4,-2.2     4,-2.0    -5,-0.2    -1,-0.2   0.922 112.0  46.8 -58.4 -47.1   -0.4    3.9  -21.2               
  283  283 A W  H  X S+     0   0   47     -4,-2.2     4,-3.0     2,-0.2     5,-0.2   0.857 107.3  57.1 -68.2 -33.6   -3.6    2.2  -19.9               
  284  284 A I  H  X S+     0   0   29     -4,-2.5     4,-2.7     2,-0.2     5,-0.2   0.965 109.3  45.9 -58.6 -49.5   -1.9    1.2  -16.7               
  285  285 A S  H  X S+     0   0   56     -4,-2.2     4,-2.1     1,-0.2    -2,-0.2   0.899 115.9  45.9 -60.6 -42.3   -1.0    4.9  -16.0               
  286  286 A I  H  X S+     0   0   53     -4,-2.0     4,-2.0     2,-0.2    -1,-0.2   0.940 115.6  45.0 -64.5 -49.4   -4.6    6.0  -16.9               
  287  287 A T  H  X S+     0   0   26     -4,-3.0     4,-1.8     2,-0.2   -32,-0.4   0.859 112.3  52.5 -69.3 -33.2   -6.3    3.3  -14.8               
  288  288 A E  H  X S+     0   0   46     -4,-2.7     4,-1.4    -5,-0.2    -2,-0.2   0.956 109.5  48.3 -62.8 -50.3   -4.0    3.9  -11.8               
  289  289 A A  H  < S+     0   0   57     -4,-2.1     4,-0.3     1,-0.2     3,-0.2   0.889 113.6  48.1 -59.8 -38.2   -4.7    7.7  -11.8               
  290  290 A L  H >< S+     0   0   51     -4,-2.0     3,-1.4     1,-0.2    -1,-0.2   0.841 103.1  62.1 -69.6 -32.1   -8.5    6.8  -12.0               
  291  291 A A  H >< S+     0   0   24     -4,-1.8     3,-2.1     1,-0.2    -2,-0.2   0.839  89.1  70.9 -64.2 -29.0   -8.1    4.3   -9.2               
  292  292 A F  T >< S+     0   0   54     -4,-1.4     3,-1.6     1,-0.3     4,-0.3   0.696  74.8  82.5 -64.2 -15.1   -7.0    7.2   -6.8               
  293  293 A F  T X> S+     0   0   52     -3,-1.4     3,-1.7     1,-0.3     4,-0.6   0.736  71.9  80.4 -60.0 -16.5  -10.6    8.4   -6.9               
  294  294 A H  H X> S+     0   0   48     -3,-2.1     3,-1.2     1,-0.3     4,-0.6   0.876  81.7  62.9 -55.1 -34.9  -11.1    5.8   -4.2               
  295  295 A C  H <4 S+     0   0   52     -3,-1.6    -1,-0.3     1,-0.3    -2,-0.2   0.690 103.4  49.3 -63.4 -20.4   -9.6    8.4   -1.7               
  296  296 A C  H <> S+     0   0   44     -3,-1.7     4,-1.6    -4,-0.3    -1,-0.3   0.586  91.4  79.5 -94.4 -12.4  -12.7   10.6   -2.5               
  297  297 A L  H <X S+     0   0   46     -3,-1.2     4,-2.8    -4,-0.6     5,-0.2   0.881  86.6  57.0 -66.7 -38.8  -15.4    7.9   -2.0               
  298  298 A N  H  X S+     0   0   61     -4,-0.6     4,-2.0     2,-0.2    -1,-0.2   0.947 109.8  41.6 -63.5 -51.6  -15.4    8.1    1.9               
  299  299 A P  H  > S+     0   0   39      0, 0.0     4,-2.5     0, 0.0    -1,-0.2   0.916 115.8  51.9 -60.2 -41.9  -16.2   11.9    2.1               
  300  300 A I  H  X S+     0   0   51     -4,-1.6     4,-2.3     1,-0.2     5,-0.3   0.958 109.9  47.8 -58.8 -51.3  -18.8   11.5   -0.7               
  301  301 A L  H  X S+     0   0   51     -4,-2.8     4,-2.2     1,-0.2     5,-0.3   0.852 112.4  50.6 -63.6 -32.9  -20.6    8.6    1.0               
  302  302 A Y  H  X S+     0   0   39     -4,-2.0     4,-1.6    -5,-0.2     7,-0.3   0.935 110.6  48.4 -64.8 -47.0  -20.6   10.6    4.3               
  303  303 A A  H  < S+     0   0   69     -4,-2.5    -2,-0.2     1,-0.2    -1,-0.2   0.871 122.0  33.8 -62.1 -39.7  -22.1   13.7    2.7               
  304  304 A F  H  < S+     0   0   74     -4,-2.3    -2,-0.2    -5,-0.2    -1,-0.2   0.809 126.1  34.9 -91.1 -32.6  -24.9   11.7    0.9               
  305  305 A L  H  < S+     0   0   72     -4,-2.2     2,-0.8    -5,-0.3    -3,-0.2   0.667 104.5  72.7-100.8 -16.6  -25.7    8.8    3.3               
  306  306 A G    >X  +     0   0   28     -4,-1.6     3,-1.6    -5,-0.3     4,-1.0  -0.711  44.5 173.2-103.7  87.1  -25.3   10.6    6.7               
  307  307 A A  H 3> S+     0   0   77     -2,-0.8     4,-0.9     1,-0.3     3,-0.3   0.873  88.9  58.2 -54.1 -31.3  -28.1   13.1    7.4               
  308  308 A K  H 3> S+     0   0   67      1,-0.2     4,-2.0     2,-0.2    -1,-0.3   0.757  94.6  65.3 -66.2 -27.2  -26.3   13.4   10.8               
  309  309 A F  H <> S+     0   0   44     -3,-1.6     4,-3.1    -7,-0.3     5,-0.2   0.904  95.7  54.9 -68.6 -39.2  -23.1   14.4    9.1               
  310  310 A K  H  X S+     0   0   60     -4,-1.0     4,-2.4    -3,-0.3     5,-0.2   0.950 113.1  41.3 -59.3 -50.4  -24.5   17.8    7.8               
  311  311 A T  H  X S+     0   0   61     -4,-0.9     4,-2.4     1,-0.2    -1,-0.2   0.914 117.2  50.1 -61.6 -42.6  -25.6   18.9   11.3               
  312  312 A S  H  X S+     0   0   45     -4,-2.0     4,-2.4     2,-0.2    -2,-0.2   0.894 110.9  47.9 -63.4 -43.1  -22.3   17.6   12.7               
  313  313 A A  H  X S+     0   0   43     -4,-3.1     4,-3.0     2,-0.2     5,-0.3   0.914 110.9  51.1 -67.4 -43.0  -20.1   19.4   10.1               
  314  314 A Q  H  X S+     0   0   52     -4,-2.4     4,-2.5    -5,-0.2     5,-0.2   0.931 112.9  46.1 -59.9 -45.3  -22.0   22.7   10.7               
  315  315 A H  H  X S+     0   0   53     -4,-2.4     4,-2.2     2,-0.2    -2,-0.2   0.907 114.5  48.0 -64.0 -41.1  -21.5   22.3   14.5               
  316  316 A A  H  X S+     0   0   42     -4,-2.4     4,-2.5     2,-0.2    -2,-0.2   0.974 114.4  45.0 -62.9 -51.8  -17.8   21.4   13.9               
  317  317 A L  H  X S+     0   0   55     -4,-3.0     4,-2.3     1,-0.2    -2,-0.2   0.890 115.7  46.9 -61.6 -42.0  -17.1   24.4   11.5               
  318  318 A T  H  X S+     0   0   51     -4,-2.5     4,-2.5    -5,-0.3    -1,-0.2   0.880 112.5  50.0 -69.0 -36.4  -19.0   26.9   13.7               
  319  319 A S  H  X S+     0   0   50     -4,-2.2     4,-2.5    -5,-0.2    -2,-0.2   0.886 110.2  50.1 -69.7 -36.3  -17.1   25.6   16.9               
  320  320 A V  H  X S+     0   0   53     -4,-2.5     4,-2.2     2,-0.2    -2,-0.2   0.948 111.8  49.0 -62.0 -47.8  -13.8   26.0   15.0               
  321  321 A S  H  X S+     0   0   52     -4,-2.3     4,-2.2     1,-0.2    -2,-0.2   0.941 114.3  44.6 -58.4 -47.1  -14.8   29.6   14.0               
  322  322 A R  H  X S+     0   0   51     -4,-2.5     4,-2.4     2,-0.2    -1,-0.2   0.868 111.4  53.0 -66.0 -38.6  -15.8   30.4   17.7               
  323  323 A G  H  X S+     0   0   55     -4,-2.5     4,-1.3     2,-0.2    -1,-0.2   0.851 110.6  48.0 -65.9 -33.8  -12.6   28.8   19.1               
  324  324 A S  H  X S+     0   0   55     -4,-2.2     4,-1.1     2,-0.2    -2,-0.2   0.911 112.5  48.7 -70.9 -41.0  -10.5   30.9   16.8               
  325  325 A S  H  X S+     0   0   52     -4,-2.2     4,-2.2     1,-0.2     3,-0.2   0.890 109.3  52.1 -66.8 -38.2  -12.5   34.1   17.8               
  326  326 A L  H  X S+     0   0   51     -4,-2.4     4,-2.0     1,-0.2    -1,-0.2   0.849 106.6  53.4 -69.0 -32.3  -12.1   33.4   21.6               
  327  327 A K  H  < S+     0   0   61     -4,-1.3     4,-0.5     2,-0.2    -1,-0.2   0.793 110.7  47.6 -71.6 -26.3   -8.3   33.0   21.2               
  328  328 A I  H  < S+     0   0   59     -4,-1.1     3,-0.5    -3,-0.2     4,-0.4   0.892 114.4  45.9 -78.7 -38.6   -8.1   36.4   19.5               
  329  329 A L  H >< S+     0   0   56     -4,-2.2     3,-0.9     1,-0.2     4,-0.2   0.838 105.8  59.6 -73.2 -32.5  -10.3   38.1   22.2               
  330  330 A S  T 3< S+     0   0   66     -4,-2.0     3,-0.4     1,-0.2    -1,-0.2   0.728 102.1  53.9 -70.6 -21.4   -8.4   36.5   25.2               
  331  331 A K  T 3  S+     0   0   72     -4,-0.5     3,-0.3    -3,-0.5    -1,-0.2   0.595 103.9  57.2 -85.8 -10.5   -5.1   38.1   24.2               
  332  332 A G  S <  S+     0   0   73     -3,-0.9    -1,-0.2    -4,-0.4    -2,-0.2   0.360  90.6  69.4-100.5   0.8   -6.6   41.7   24.1               
  333  333 A K        +     0   0   70     -3,-0.4     2,-0.9    -4,-0.2    -1,-0.2   0.210  63.4  99.7-115.7  15.1   -8.0   42.1   27.7               
  334  334 A R  S    S+     0   0   86     -3,-0.3    -1,-0.1     1,-0.1     2,-0.1  -0.759  70.8  67.4 -97.5  82.5   -4.9   42.3   30.0               
  335  335 A G        +     0   0   79     -2,-0.9    -1,-0.1     1,-0.1     0, 0.0  -0.260  61.7  77.5 166.8 110.1   -4.7   46.1   30.5               
  336  336 A G        -     0   0   82     -2,-0.1    -1,-0.1     2,-0.0     0, 0.0   0.540  65.6 -66.5 137.1  88.7   -6.9   48.6   32.4               
  337  337 A H        -     0   0   84      1,-0.2     2,-0.4     0, 0.0    -2,-0.0   0.886  15.1-151.3  55.9 110.2   -7.6   49.7   35.9               
  338  338 A S        +     0   0   90      2,-0.0     2,-0.3     0, 0.0    -1,-0.2  -0.906  21.5 179.1 -90.9 128.9   -9.0   48.6   39.3               
  339  339 A S        -     0   0   81     -2,-0.4     0, 0.0     2,-0.0     0, 0.0  -0.848  16.3-142.1-141.2 106.7  -10.5   51.4   41.4               
  340  340 A V        +     0   0   89     -2,-0.3     2,-0.2     0, 0.0    -2,-0.0   0.143  23.9 169.5 -14.2 141.5  -12.1   50.7   44.8               
  341  341 A S        -     0   0   89      2,-0.0     2,-0.1     0, 0.0    -2,-0.0  -0.533  18.2-165.2-169.3 143.5  -15.0   51.9   46.8               
  342  342 A T        +     0   0   86     -2,-0.2     0, 0.0     0, 0.0     0, 0.0  -0.153  14.1 155.1-101.7 179.3  -16.3   50.3   50.0               
  343  343 A E        +     0   0   91     -2,-0.1    -2,-0.0     0, 0.0     0, 0.0   0.428  23.6  19.9 108.2 134.5  -19.3   50.1   52.6               
  344  344 A S        -     0   0   79      0, 0.0     0, 0.0     0, 0.0     0, 0.0   0.740  24.1-137.4-169.5 149.7  -20.8   48.4   54.8               
  345  345 A E        +     0   0   90      0, 0.0     2,-0.0     0, 0.0     0, 0.0   0.556  17.6 125.2  24.3 127.2  -22.1   45.9   57.5               
  346  346 A S        -     0   0   83      0, 0.0     2,-0.0     0, 0.0     0, 0.0   0.137  18.6-151.6 169.2 158.7  -24.1   43.8   59.2               
  347  347 A S        +     0   0   87     -2,-0.0     2,-0.1     2,-0.0     0, 0.0  -0.143  17.9 150.2 -61.7 151.6  -24.8   40.4   60.7               
  348  348 A S        -     0   0   83     -2,-0.0     2,-0.2     2,-0.0     0, 0.0  -0.233  15.4-166.3-176.1 135.9  -27.0   37.8   61.7               
  349  349 A F        +     0   0   88     -2,-0.1     2,-0.2     2,-0.0    -2,-0.0  -0.569  13.1 161.0 -70.1 145.4  -26.8   34.0   62.1               
  350  350 A H        -     0   0   85     -2,-0.2    -2,-0.0     2,-0.1     2,-0.0  -0.608  25.6-134.1-163.8 142.5  -29.3   31.3   62.6               
  351  351 A S              0   0   87     -2,-0.2    -2,-0.0     0, 0.0     0, 0.0  -0.106 360.0 360.0 -68.2 155.7  -29.0   27.5   62.0               
  352  352 A S              0   0  133     -2,-0.0    -2,-0.1     0, 0.0     0, 0.0  -0.829 360.0 360.0-145.0 360.0  -30.5   24.5   60.5

Maybe you can provide a static linked executable of the old version of mkdssp or maybe adjusting the parsing for the new version. At least this is my guess.

[thuxugang]

The "xssp-3.0.10.tar.gz" file in opus_mut\Mut\mkdssp is the original version of mkdssp. You can replace the src/dssp.cpp in it with our provided "opus_mut\Mut\mkdssp\dssp.cpp" file and recomplie it.