NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
618552 5kqj 30133 cing 1-original 1 unknown unknown


# Restraints file 1: ANT2_FINALTAB.tab
REMARK TALOS-N Protein Backbone Torsion Angle Prediction Table
REMARK  Prediction Summary for Chemical Shift Input ANT2_BMRB_21.str
REMARK  Predictions Compared to PDB Input 4WQK.pdb
REMARK 
REMARK  PHI is the predicted torsion angle C(i-1) N(i)  CA(i) C(i)   (degrees).
REMARK  PSI is the predicted torsion angle N(i)   CA(i) C(i)  N(i+1) (degrees).
REMARK 
REMARK  DPHI and DPSI are the estimated standard deviations of the
REMARK  prediction errors in PHI and PSI (degrees).
REMARK 
REMARK  DIST is the TALOS-N database matching score.
REMARK 
REMARK  S2 is the Wishart RCI chemical shift order parameter,
REMARK  JACS, 127(43), 14970-14971.
REMARK 
REMARK  COUNT is the number of database triplets used to form
REMARK  the torsion angle predictions.
REMARK 
REMARK  CLASS is the classification of the prediction result:
REMARK    None: no torsion prediction was made.
REMARK 
REMARK    Strong/Generous: majority consensus in database matches;
REMARK    prediction is likely to be good.
REMARK 
REMARK    Warn: no consensus in database matches, do not use prediction.
REMARK 
REMARK    Dyn:  RCI-S2 value indicates that residue has dynamic conformation.
REMARK 
REMARK    Bad:  predictions with large deviation to reference PDB.
REMARK 
REMARK Reference:
REMARK  Y. Shen, and A. Bax:
REMARK  Protein backbone and sidechain torsion angles predicted from 
REMARK  NMR chemical shifts using artificial neural networks
REMARK  J. Biomol. NMR, 56, 227-241(2013).
REMARK 
REMARK  TALOS-N Version 4.11 Rev 2014.352.16.06 TALOSN_INFO

DATA FIRST_RESID 1
DATA SEQUENCE MDTTQVTLIH KILAAADERN LPLWIGGGWA IDARLGRVTR KHDDIDLTFP 
DATA SEQUENCE GERRGELEAI VEMLGGRVME ELDYGFLAEI GDELLDCEPA WWADEAYEIA 
DATA SEQUENCE EAPQGSCPEA AEGVIAGRPV RCNSWEAIIW DYFYYADEVP PVDWPTKHIE 
DATA SEQUENCE SYRLACTSLG AEKVEVLRAA FRSRYAALEH HHHHH

VARS   RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS 
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s

   1 M 9999.000 9999.000    0.000    0.000    0.000 0.000  0 12 None
   2 D  -94.980    5.643    8.277    7.208    2.362 0.812 25 18 Strong
   3 T -104.655  126.950   10.879   10.396    2.462 0.826 25 18 Strong
   4 T -101.282  137.940   20.082   13.874    3.308 0.834  9 18 Warn
   5 Q -100.479  133.455   30.629   23.367    3.448 0.840 10 18 Bad
   6 V  -78.936  -10.236    7.837    7.860    2.658 0.850  8 18 Warn
   7 T  -89.550  160.893   27.055   17.661    2.517 0.865  7 18 Warn
   8 L  -81.975  146.292   14.316   12.485    1.439 0.893 25 18 Bad
   9 I  -62.290  -32.221    9.616    6.136    1.173 0.885 25 18 Strong
  10 H  -66.450  -24.858    5.681    8.513    1.218 0.891 25 18 Strong
  11 K  -87.680   -8.537   11.283   12.204    1.233 0.889 25 18 Strong
  12 I  -76.911  136.894   13.985   14.924    1.383 0.905  5 18 Warn
  13 L  -72.858  -32.539   10.874   10.344    1.988 0.904 25 18 Strong
  14 A  -76.919  -26.478   15.135   18.198    2.741 0.898  6 18 Warn
  15 A  -55.209  167.205   69.965   54.505    2.741 0.881  6 18 Warn
  16 A   56.419   39.892    7.370   10.999    1.912 0.868 25 18 Bad
  17 D   45.764   45.592   46.206   20.972    1.958 0.862  5 18 Warn
  18 E   62.403   29.134    7.377   15.858    1.140 0.867 10 18 Bad
  19 R  -71.810  -40.112   22.193   13.133    1.178 0.868 25 18 Strong
  20 N  -68.832  -34.682    7.387    6.752    0.844 0.879 25 18 Bad
  21 L  -59.223  -49.443    4.301    6.542    1.042 0.864 25 17 Bad
  22 P  -62.988  -32.048    5.378    4.750    1.259 0.864 25 17 Bad
  23 L  -70.911  -33.196    8.057    9.532    1.304 0.852 25 17 Bad
  24 W  -80.245  -32.758   17.495   11.628    1.758 0.869 25 18 Bad
  25 I  -69.858  -29.181   11.318   18.477    3.491 0.880  9 17 Warn
  26 G  -10.092  -99.311   90.514   71.260   13.121 0.893  7 16 Warn
  27 G  -80.216   -6.040   12.266   16.694    0.000 0.899 10 15 Bad
  28 G   90.728   10.937   19.438   17.534   27.249 0.898  7 16 Warn
  29 W  -92.553  144.285   35.110   13.613    8.125 0.897  6 17 Warn
  30 A  -69.210  136.185    8.892    9.151    2.359 0.886 25 18 Bad
  31 I  -79.825  -20.345   22.534   22.334    1.701 0.882  9 18 Warn
  32 D  -65.028  -26.544    5.131   13.656    1.447 0.883  3 18 Warn
  33 A  -65.595  -24.806    6.894    7.313    1.195 0.888 25 18 Strong
  34 R  -98.807   -9.190   10.677   11.384    1.316 0.881 25 18 Strong
  35 L  -98.775  121.947   26.578   25.755    1.652 0.874  4 17 Warn
  36 G   79.739   17.408   12.546   14.493    1.946 0.856  6 17 Warn
  37 R  -90.403  147.425   15.472   13.515    2.566 0.854  9 17 Warn
  38 V  -79.002  130.129   12.369    9.373    2.335 0.839 25 18 Strong
  39 T  -79.214  145.738   21.051   10.338    2.031 0.843  7 18 Warn
  40 R -108.263  143.242   32.616   14.997    1.467 0.835  8 18 Warn
  41 K -121.172  146.810   23.354   13.373    1.423 0.837 25 18 Strong
  42 H -119.007  147.519   23.391   10.588    1.552 0.845 25 18 Strong
  43 D  -79.806  126.994   15.434   10.473    2.001 0.852 10 18 Bad
  44 D -123.326  108.442   18.303   37.901    2.468 0.873 25 18 Bad
  45 I  -96.463  132.818   21.545   14.485    2.658 0.873  6 18 Warn
  46 D -114.631  139.676   29.083   17.941    2.595 0.882  3 18 Warn
  47 L  -88.368  131.652   20.609   10.081    1.770 0.881 10 18 Generous
  48 T -123.933  146.638   12.680   13.601    1.382 0.884 25 18 Strong
  49 F  -86.706  153.733   11.064    8.780    1.403 0.870 25 17 Strong
  50 P  -62.973  -26.079    8.594    7.367    1.336 0.842 10 16 Bad
  51 G  164.297  -20.267   79.640  109.000    1.867 0.835  4 16 Warn
  52 E -139.746  156.411   15.980    8.092    1.236 0.836 25 17 Bad
  53 R  -80.075  138.754   12.779   11.406    1.257 0.835 25 18 Bad
  54 R -114.399  142.316   33.471   18.033    1.147 0.798 25 17 Bad
  55 G  -95.713  166.821   32.050   15.700    1.128 0.800  5 17 Warn
  56 E  -73.241  -22.085   16.444   16.153    1.005 0.824 25 17 Strong
  57 L  -64.169  -33.675    6.194    8.597    1.127 0.876 25 18 Strong
  58 E  -79.173  -14.647    9.550   11.122    1.183 0.882 25 18 Strong
  59 A   76.984    4.799   33.108   60.074    1.146 0.882  9 18 Warn
  60 I  -83.755  120.370   12.997   23.352    1.626 0.878  6 18 Warn
  61 V -114.622  149.989   16.504   14.569    1.851 0.884 25 18 Bad
  62 E  -79.332  134.562   15.330   12.019    2.039 0.868 25 18 Bad
  63 M  -92.781  122.981   22.748   29.989    2.348 0.833  8 18 Warn
  64 L  -70.660  133.196   14.170   10.607    1.872 0.804 25 17 Bad
  65 G -152.544 -131.397   89.953   80.509    2.250 0.806  5 16 Warn
  66 G  -88.820 -168.986    9.590   10.450    2.491 0.831  9 16 Warn
  67 R  -67.258  -37.207    9.005    8.826    2.264 0.863  9 17 Warn
  68 V  -66.957  -30.493    5.177    6.947    2.154 0.876 25 18 Bad
  69 M  -93.550   -2.931   23.116   25.100    1.870 0.884  7 18 Warn
  70 E  -67.013  -22.439    5.045    8.539    1.151 0.868  9 18 Warn
  71 E  -98.635    3.231    9.605    8.094    0.894 0.848 10 18 Bad
  72 L  -86.189  135.898   13.841    9.447    1.092 0.838 25 18 Strong
  73 D  -92.216  134.392   17.437   20.744    1.246 0.847 25 18 Bad
  74 Y -104.315  120.041   13.044   30.243    1.964 0.870 10 17 Generous
  75 G -107.656  137.402   20.366    9.988    2.186 0.881  7 17 Warn
  76 F -134.675  153.824   19.741    7.760    1.556 0.895 25 17 Strong
  77 L  -79.608  133.353   18.110   20.552    1.952 0.888  4 18 Warn
  78 A  -63.249  -33.263    7.108    7.566    1.751 0.883 25 18 Bad
  79 E  -66.992  -34.610    4.481    9.490    1.403 0.844 25 18 Bad
  80 I  -68.612  -34.472   10.241   18.660    1.462 0.840 25 17 Bad
  81 G  -63.111  -42.203    3.871    5.929    1.447 0.841  9 17 Warn
  82 D  -67.281  -34.709    4.441    5.257    1.935 0.876 25 17 Strong
  83 E  -70.529  -38.108   14.455   12.442    2.338 0.883 25 18 Bad
  84 L  -67.784  -39.819    3.610    4.931    2.021 0.885 25 18 Bad
  85 L  -66.376  -34.306    4.167    5.093    2.332 0.875 25 18 Bad
  86 D  -69.481  -33.689    5.051   10.668    2.140 0.879 25 18 Bad
  87 C  -71.005  -27.375    6.636    9.075    1.784 0.878 25 18 Bad
  88 E   50.974   55.389    4.821    5.833    2.184 0.899 25 17 Bad
  89 P  -66.630  150.664    5.672   10.434   -2.056 0.913 25 17 Strong
  90 A  -81.768  -22.868   18.717   20.654    0.000 0.933 25 17 Bad
  91 W -110.403  140.119   18.230   12.315    4.256 0.935 10 18 Generous
  92 W -128.472  164.870   34.004    6.952    0.000 0.935 25 18 Bad
  93 A  -63.246  -29.040   10.015   10.477    5.028 0.930 10 18 Bad
  94 D  -89.112   -1.902   12.105    9.006    4.451 0.914 10 18 Bad
  95 E   55.669   39.963    6.838    9.209    2.273 0.891 25 18 Bad
  96 A  -94.730   -7.639    9.791    9.831    1.860 0.879 10 18 Bad
  97 Y -100.756  144.668   15.140   16.110    1.852 0.867 10 18 Generous
  98 E  -92.181  151.712   23.121   25.572    2.439 0.876  9 18 Warn
  99 I  -90.507   -7.126   21.303   22.912    1.551 0.864 10 18 Bad
 100 A  -59.717  -44.459    8.060    6.808    1.981 0.880 25 18 Bad
 101 E  -78.544   17.633   14.825   55.290    2.210 0.874  8 18 Warn
 102 A  -60.833  -48.100    7.869    8.662    4.091 0.887 25 17 Bad
 103 P  -63.650  -33.107    7.881   11.137    4.488 0.869 25 17 Bad
 104 Q  -69.847  -37.831   10.797   12.541    3.842 0.857  8 16 Warn
 105 G   82.196   11.050   10.631   12.445    3.022 0.853  8 17 Warn
 106 S  -72.856  -27.525    7.028    8.882    2.119 0.863 25 17 Strong
 107 C  -80.949  145.348   22.316   10.395    2.241 0.888 25 17 Bad
 108 P  -69.397  156.365    7.396    9.919    1.372 0.894 25 17 Strong
 109 E  -59.815  -32.284    5.241    7.784    0.987 0.896 25 17 Strong
 110 A  -70.848  -15.810   10.918   11.529    1.257 0.866 25 18 Bad
 111 A  -96.249   -6.509   12.189   10.361    1.429 0.863 25 18 Bad
 112 E  -73.047  134.587   10.049   12.326    1.534 0.868 25 17 Bad
 113 G -105.316 -178.686   38.252   11.407    2.733 0.897 25 17 Strong
 114 V  -73.671  -22.957   15.420   18.709    5.581 0.908  9 17 Warn
 115 I -105.023  142.246   23.505   18.415    5.098 0.906  5 18 Warn
 116 A  -98.884  100.450   29.433   66.459    6.635 0.909  8 17 Warn
 117 G  -88.434 -175.990    9.703   15.005    4.295 0.905  9 17 Warn
 118 R  -70.828  141.504    9.297   14.171    5.683 0.910  7 16 Warn
 119 P  -68.323  149.964    6.668    7.069    4.860 0.885 25 17 Strong
 120 V  -80.210  143.084   19.433   12.669    3.714 0.883  9 17 Warn
 121 R  -89.675  155.332   26.126   13.322    2.600 0.884 25 18 Strong
 122 C  -64.401  -29.623   12.563   14.311    2.245 0.911  8 18 Warn
 123 N  -63.182  -31.622   13.243    8.946    1.496 0.919 25 18 Bad
 124 S  -67.258  -22.633    5.551    8.434    1.247 0.914 25 18 Bad
 125 W -106.662    5.315    8.235   11.065    1.245 0.899 25 18 Bad
 126 E  -71.850  131.164   11.564   14.097    1.233 0.879 25 18 Bad
 127 A  -62.903  -36.551    6.147    7.125    2.015 0.873 25 18 Strong
 128 I  -59.230  -32.605    6.453   10.313    7.384 0.873  8 18 Warn
 129 I  -65.567  -33.559    6.333    6.120    2.344 0.893 25 18 Strong
 130 W -102.230   -0.184   12.720   20.031    3.907 0.906 25 18 Bad
 131 D  -73.647  137.758   10.199   14.904    2.044 0.910 10 18 Bad
 132 Y  -71.342  -28.890   10.715   13.350    2.700 0.888 25 18 Strong
 133 F -123.797  139.495   15.456   15.020    2.000 0.824 10 18 Bad
 134 Y -100.443  129.826   20.040   12.718    2.873 0.797  9 18 Warn
 135 Y -130.061  155.520   15.734   11.335    2.209 0.805 25 18 Bad
 136 A  -73.399 -165.071   25.101   79.970    1.880 0.864 25 18 Warn
 137 D  -56.766  -42.875    5.151    7.335    2.454 0.899 25 18 Strong
 138 E  -64.559  -31.421    6.904   13.854    2.765 0.897 25 18 Strong
 139 V  -79.811  152.549   13.763   10.122    0.000 0.882 25 17 Strong
 140 P  -65.078  148.629    9.140   13.560   -6.983 0.869 25 16 Strong
 141 P  -69.823  149.599    7.705    6.557    4.048 0.868 25 16 Bad
 142 V -128.481  160.363   12.356   11.533    2.825 0.875 25 17 Bad
 143 D  -78.053   49.126   17.144   65.350    2.565 0.884 25 18 Warn
 144 W  -94.347   11.900   38.077   57.555   -2.991 0.893  6 17 Warn
 145 P  -61.864  -24.284    8.409   12.227    5.534 0.887 25 17 Bad
 146 T  -91.953  -10.018   13.182    8.712    2.420 0.884 25 17 Strong
 147 K  -99.146  151.203   29.090   15.678    2.468 0.880  7 18 Warn
 148 H -114.609  143.474   16.200   11.014    1.996 0.887 25 18 Bad
 149 I  -93.975  141.459   20.052   14.947    2.351 0.889 25 18 Bad
 150 E -128.242  142.157   20.313   20.581    2.769 0.891  6 18 Warn
 151 S  -90.067  149.607   15.020   20.996    2.326 0.882 25 18 Bad
 152 Y  -68.973  -32.304   17.034   19.609    2.221 0.873  3 18 Warn
 153 R  -62.400  -30.437    9.258   10.162    2.300 0.873 25 18 Strong
 154 L  -72.459  -22.138   12.893   13.105   12.254 0.883 25 18 Strong
 155 A  -82.918  -19.879   12.920   13.080   12.222 0.892 25 18 Strong
 156 C -107.007  146.539   18.462   17.561   26.033 0.884 25 18 Bad
 157 T  -84.246  134.709   12.428   41.968   29.805 0.889 25 18 Warn
 158 S  -64.905  -20.597   11.066   17.248   15.112 0.895 25 18 Strong
 159 L  -96.807   -1.205   11.945   11.384    9.639 0.917 25 17 Strong
 160 G   52.227    5.853   75.963   82.121   10.962 0.912  9 17 Warn
 161 A  -67.045  -27.402    7.510    9.916    3.723 0.910 25 17 Strong
 162 E  -97.516   32.312   12.853   44.290    6.110 0.894  5 18 Warn
 163 K  -87.456  138.838   19.004   13.940    5.501 0.890 25 18 Bad
 164 V -116.202  151.550   15.025   14.806    3.833 0.884 25 18 Bad
 165 E  -72.129  139.306    8.310   19.860    3.279 0.885  9 18 Warn
 166 V  -68.405  -23.669   20.614   20.806    1.862 0.884 25 18 Strong
 167 L  -67.267  -31.693    5.449   10.530    1.901 0.890 25 18 Strong
 168 R  -86.488  -13.408   33.584   46.514    1.716 0.899  7 18 Warn
 169 A  -67.816  -31.280    6.707    5.940    1.655 0.906 25 18 Strong
 170 A  -74.112  -25.834   13.352   12.863    4.096 0.906 25 18 Strong
 171 F  -96.600   -4.376   18.419   16.634    9.811 0.898 25 18 Strong
 172 R  -61.323  -44.570    7.603    7.709   17.086 0.897  9 18 Warn
 173 S  -65.955  -37.174    3.807    2.690   26.494 0.899 25 18 Strong
 174 R  -63.912  -40.355    5.851    5.036   15.553 0.909 25 18 Strong
 175 Y  -65.994  -36.972   10.084   14.286   12.111 0.913 10 18 Generous
 176 A  -74.896  -21.230   15.554   10.075    8.830 0.914 25 18 Bad
 177 A  -81.432  -14.086    9.486    8.099    3.138 0.894 25 18 Strong
 178 L -112.260    1.676   14.008   17.407    4.567 0.887  5 18 Warn
 179 E  -81.927  148.708   18.815   29.100    2.540 0.853  9 18 Warn
 180 H  -77.528  -21.206   12.633   16.312    2.532 0.850 25 18 Strong
 181 H -113.028  143.618   36.673   22.408    2.739 0.821  6 18 Warn
 182 H  -67.435  -33.089    6.226    7.491 8090.370 0.803 25 18 Strong
 183 H  -83.617   -9.755   15.559   18.520 100300.000 0.769 10 18 Generous
 184 H  -79.758  141.524   21.521   13.660 246095.000 0.749 10 18 Generous
 185 H 9999.000 9999.000    0.000    0.000    0.000 0.000  0 12 None
# Restraints file 2: ANT2_RAMA_ACO.aco
REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table
REMARK  Prediction Summary for Chemical Shift Input /Users/valjean/Desktop/ANT_STRUC_CAL/ANT_TALOS
REMARK  Predictions Compared to PDB Input /Users/valjean/Desktop/4WQK.pdb
REMARK 
REMARK  PHI is the predicted torsion angle C(i-1) N(i)  CA(i) C(i)   (degrees).
REMARK  PSI is the predicted torsion angle N(i)   CA(i) C(i)  N(i+1) (degrees).
REMARK 
REMARK  DPHI and DPSI are the estimated standard deviations of the
REMARK  prediction errors in PHI and PSI (degrees).
REMARK 
REMARK  DIST is the TALOS+ database matching score.
REMARK 
REMARK  S2 is the Wishart RCI chemical shift order parameter,
REMARK  JACS, 127(43), 14970-14971.
REMARK 
REMARK  COUNT is the number of database triplets used to form
REMARK  the torsion angle predictions.
REMARK 
REMARK  CLASS is the classification of the prediction result:
REMARK    None: no torsion prediction was made.
REMARK 
REMARK    Good: majority consensus in database matches;
REMARK          prediction is likely to be good.
REMARK 
REMARK    Warn: no consensus in database matches, do not use prediction.
REMARK 
REMARK    Dyn:  RCI S2 value indicates that residue has dynamic conformation.
REMARK 
REMARK Reference:
REMARK  Y. Shen, F. Delaglio, G. Cornilescu, and A. Bax:
REMARK  TALOS plus: A hybrid method for predicting protein
REMARK  torsion angles from NMR chemical shifts.
REMARK  J. Biomol. NMR 44, 213-223 (2009).
REMARK 
REMARK  TALOS+ Version 3.80F1 Rev 2012.080.14.41 TALOS_INFO

DATA FIRST_RESID 1
DATA SEQUENCE MDTTQVTLIH KILAAADERN LPLWIGGGWA IDARLGRVTR KHDDIDLTFP 
DATA SEQUENCE GERRGELEAI VEMLGGRVME ELDYGFLAEI GDELLDCEPA WWADEAYEIA 
DATA SEQUENCE EAPQGSCPEA AEGVIAGRPV RCNSWEAIIW DYFYYADEVP PVDWPTKHIE 
DATA SEQUENCE SYRLACTSLG AEKVEVLRAA FRSRYAALEH HHHHHH

VARS   RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s

   1 M 9999.000 9999.000    0.000    0.000    0.000 0.000  0 10 None
   2 D -100.000    5.000   11.000   17.000   44.870 0.782  9 15 Warn
   3 T -100.363  123.845   14.131   16.035   50.597 0.798 10 15 Good
   4 T -125.613  148.032   15.415   13.014   45.749 0.810 10 15 Bad
   5 Q -126.883  174.927   59.966   37.279   64.657 0.815 10 15 Warn
   6 V  -85.083   -0.475   22.246   22.838   41.441 0.830 10 15 Good
   7 T  -99.335    0.025   22.693   28.599   50.816 0.836  8 15 Warn
   8 L -128.345  158.668   37.782   12.444   55.862 0.857 10 15 Warn
   9 I  -64.663  -36.111   16.383   14.858   80.331 0.827 10 15 Good
  10 H  -70.241  -18.025   16.561   11.975   37.189 0.827  6 15 Warn
  11 K  -94.387  -14.489   21.899   21.612   46.388 0.823  6 15 Warn
  12 I  -99.762  167.115   28.803   19.413   42.547 0.847  7 15 Warn
  13 L  -79.031  -14.839   31.547   17.474   74.549 0.847 10 15 Good
  14 A   58.888   34.711    4.971    7.327   85.737 0.854 10 15 Warn
  15 A -101.765    6.700   14.242   13.959   67.237 0.846 10 15 Good
  16 A   59.799   32.462    4.145   12.081   36.417 0.843 10 15 Bad
  17 D -100.287    6.470   15.182   11.120   63.490 0.827  8 15 Warn
  18 E   61.389   29.059    5.627   14.874   42.022 0.833 10 15 Bad
  19 R  -75.801  -35.595   17.509   12.770   62.120 0.841 10 15 Good
  20 N  -75.238  -28.405   17.668   13.204   39.504 0.868 10 15 Bad
  21 L  -59.217  -38.908    7.530    7.655   57.847 0.869 10 15 Bad
  22 P  -68.941  -22.697   14.272   14.326   71.903 0.860 10 15 Bad
  23 L  -78.329  -17.630   15.617   27.708   59.746 0.837 10 15 Bad
  24 W  -89.162  -11.255   14.662   22.943   43.648 0.836 10 15 Bad
  25 I  -76.712   -9.877   13.040   11.631   58.383 0.847  4 14 Warn
  26 G  -94.635  118.711   15.738   21.283   67.092 0.863 10 13 Good
  27 G -116.869  122.139   19.959   26.698   53.706 0.868 10 12 Good
  28 G  -95.257  162.981   80.638   46.588   66.305 0.865 10 13 Warn
  29 W  -81.929  -16.219   27.436   15.081   70.930 0.858 10 14 Good
  30 A  -85.102  -33.534   16.828   10.391   57.702 0.857  5 15 Warn
  31 I  -97.243    4.464   26.663   28.290   57.461 0.860 10 15 Good
  32 D  -69.216  -14.613   15.448   17.333   49.653 0.867 10 15 Warn
  33 A  -65.612  -37.719   10.654    9.134   39.195 0.863  7 15 Warn
  34 R  -97.300  -14.641   10.610   18.043   38.063 0.843 10 15 Good
  35 L -109.285  133.816   25.828   21.236   48.255 0.840  7 14 Warn
  36 G  -82.203  147.809   64.751   12.100   55.639 0.830  9 14 Warn
  37 R -121.197  167.839   26.731   18.289   48.831 0.839 10 14 Good
  38 V  -89.021  139.505   20.142   16.911   45.005 0.823 10 15 Good
  39 T -127.880  150.157   22.108   14.825   45.880 0.828  9 15 Warn
  40 R -122.692  155.187   30.973   10.354   51.458 0.821 10 15 Good
  41 K -137.351  154.939   18.843    8.979   40.566 0.816 10 15 Good
  42 H -130.725  152.941   23.188   10.419   38.625 0.805 10 15 Good
  43 D  -93.838  130.271   17.312   20.012   36.565 0.810  6 15 Warn
  44 D  -97.392  157.570   50.544   40.542   48.415 0.836 10 15 Warn
  45 I -100.432  154.588   22.023   27.152   73.390 0.859  6 15 Warn
  46 D  -86.995   -7.866   20.092    9.229   50.290 0.872  4 15 Warn
  47 L  -92.557  152.144   23.420   13.303   59.347 0.861 10 15 Good
  48 T -134.899  145.745   13.035   16.751   48.038 0.837 10 15 Good
  49 F -101.989  140.281   19.201   32.675   88.847 0.779 10 15 Good
  50 P  -62.936  -25.940    6.736    8.541  146.599 0.744  6 14 Warn
  51 G   66.412   30.729   12.138   23.006   58.831 0.744  4 14 Warn
  52 E -129.340  162.796   27.913   11.188   41.979 0.781  7 14 Warn
  53 R -137.512  159.328   37.381   18.181   46.784 0.811 10 15 Warn
  54 R -123.071  130.493   25.081   12.326   40.958 0.792 10 14 Bad
  55 G -105.100  155.298   84.221   28.572   51.302 0.785 10 14 Warn
  56 E  -77.974  -14.149   20.376   17.789   52.983 0.791  7 14 Warn
  57 L  -59.763  -34.905   11.202   14.293   36.367 0.828 10 15 Good
  58 E  -68.544  -40.451    6.660    3.705   29.578 0.834 10 15 Good
  59 A  -86.457   -7.394    7.835   16.436   33.294 0.834 10 15 Good
  60 I  -78.429  -23.811   19.069   24.561   44.291 0.836  6 15 Warn
  61 V  -95.206   -9.490   20.355   16.774   44.043 0.851  6 15 Warn
  62 E -107.703    2.636   19.070   25.494   46.057 0.841  6 15 Warn
  63 M  -96.190    1.701   16.750   20.731   52.071 0.797  8 15 Warn
  64 L  -73.886  125.414   17.426    9.409   42.254 0.771 10 14 Bad
  65 G  -57.971  153.870   61.945   49.905   46.664 0.777  8 13 Warn
  66 G -122.395 -178.835   66.221   15.770   76.988 0.801 10 13 Warn
  67 R  -58.341  -29.737    7.364   11.760   74.074 0.814 10 14 Bad
  68 V  -74.479  -30.350   20.298   15.192   55.820 0.803 10 15 Bad
  69 M  -92.427   -1.410    9.911   11.357   46.059 0.814 10 15 Good
  70 E  -59.415  -31.172    7.160   10.459   36.824 0.823  7 15 Warn
  71 E  -98.276    6.339   11.063   19.494   49.697 0.831 10 15 Bad
  72 L -108.455  152.115   62.217   40.776   44.611 0.830 10 15 Warn
  73 D  -94.738   -3.075   18.837   20.739   42.455 0.828  9 15 Warn
  74 Y -106.512  116.656   25.343   29.042   44.505 0.844 10 14 Bad
  75 G -116.723  156.186   38.293   13.656   56.038 0.844 10 14 Warn
  76 F -138.708  162.444   20.223   15.241   48.561 0.854 10 14 Good
  77 L -102.974  173.970   27.363   23.537   63.821 0.851 10 15 Good
  78 A  -65.543  -29.328   23.917   27.624   59.359 0.860 10 15 Bad
  79 E  -61.355  -40.785    4.731    8.269   48.333 0.839 10 15 Bad
  80 I  -79.915  -16.814   18.637   22.393   52.621 0.837 10 14 Bad
  81 G  -67.433  -31.789    8.919   13.231   58.480 0.847 10 14 Warn
  82 D  -72.974  -28.354    9.136   10.264   64.638 0.880 10 14 Good
  83 E  -75.517  -32.437   21.170   11.643   55.595 0.891 10 15 Bad
  84 L  -77.463  -24.372   11.540   15.341   62.935 0.885 10 15 Bad
  85 L  -72.041  -30.147   20.710   23.507   65.294 0.872 10 15 Bad
  86 D  -91.139  -26.049   19.950   19.055   70.259 0.866 10 15 Bad
  87 C -141.493  162.864   74.252   22.268   52.945 0.841 10 15 Warn
  88 E -128.711  155.125   31.664    7.753   94.334 0.852  8 15 Warn
  89 P  -73.073  -22.149   22.140   16.738   91.754 0.867  6 15 Warn
  90 A  -77.778  -27.984   19.403   18.588   98.913 0.912 10 15 Bad
  91 W -134.371  163.222   60.551   13.484   72.345 0.921  7 15 Warn
  92 W -103.577   -0.467   21.801   17.161   67.447 0.923  7 15 Warn
  93 A   59.895   32.379    5.333   13.091   52.362 0.914  7 15 Warn
  94 D -120.385    8.434   11.892   16.435   72.466 0.892  8 15 Warn
  95 E  -60.288  -34.114    8.284   13.800   47.052 0.870  6 15 Warn
  96 A -109.236    7.494   19.036   21.142   62.364 0.854 10 15 Bad
  97 Y  -87.900  152.790   17.384   37.337   67.397 0.842 10 15 Warn
  98 E -115.351  170.754   56.533   14.033   77.847 0.853 10 15 Warn
  99 I  -76.628  -10.003   29.455   26.051   80.417 0.857 10 15 Bad
 100 A  -75.155  -30.026   18.726   15.986   64.268 0.887 10 15 Bad
 101 E  -71.415  -30.422   11.685   15.579   60.850 0.888 10 15 Bad
 102 A  -72.552  -29.942   15.692    9.934   63.699 0.890 10 15 Bad
 103 P -115.593    2.853    8.881   16.249   72.252 0.835 10 15 Bad
 104 Q  -58.265  130.503    6.140    4.739   72.694 0.763 10 14 Good
 105 G   88.617   -7.061   11.446   11.963   57.296 0.732 10 14 Good
 106 S  -98.310  153.850   34.639   54.895   75.781 0.732 10 14 Warn
 107 C -128.998  128.120   21.699   47.224   91.579 0.789 10 15 Warn
 108 P  -62.369  145.916   10.918   13.786   79.483 0.819 10 15 Warn
 109 E  -65.217  -23.161   14.037    7.829   53.975 0.853  8 15 Warn
 110 A  -98.716   -6.764   25.001   19.953   52.429 0.835  8 15 Warn
 111 A  -95.605  -13.423   13.229   11.422   44.782 0.834  9 15 Warn
 112 E -101.168  129.660   23.383   11.377   41.454 0.838 10 13 Bad
 113 G -101.484  164.712   31.903   15.520   75.979 0.862 10 13 Good
 114 V -120.973  159.068   35.972    8.871   93.774 0.876 10 13 Warn
 115 I  -89.610  -10.202   23.251   21.077   80.903 0.871 10 15 Bad
 116 A -104.180    8.460   10.038   17.811   53.760 0.883 10 14 Warn
 117 G  -94.462  173.650   15.354   22.253   64.303 0.887  6 14 Warn
 118 R  -61.519  -24.962    6.366   15.879   74.679 0.901 10 14 Warn
 119 P -105.689    7.316    7.994   15.379   75.082 0.860  9 15 Warn
 120 V  -99.536  154.251   33.169    7.438   63.944 0.839 10 15 Good
 121 R -130.443  148.399   21.917   15.303   56.023 0.829 10 15 Good
 122 C -125.409  166.214   30.821    8.350   70.644 0.860 10 15 Good
 123 N  -99.158  157.265   46.537   18.492   69.151 0.881 10 15 Warn
 124 S  -62.300  -38.892   16.640    7.306   73.668 0.888 10 15 Bad
 125 W -110.780   -3.627   15.881   18.088   50.206 0.876 10 15 Good
 126 E -100.417  134.623   60.709   34.947   47.207 0.847 10 15 Warn
 127 A  -82.010  118.410   13.885   78.459   50.558 0.841  6 15 Warn
 128 I  -97.978   11.597    7.644   10.800   52.242 0.837  6 15 Warn
 129 I   57.642   34.856    3.560    8.994  107.687 0.855 10 15 Warn
 130 W  -98.249  -20.390   16.728   21.267   62.973 0.852 10 15 Good
 131 D -108.948  128.854   32.971   38.559   49.563 0.856 10 15 Warn
 132 Y  -78.823  -32.676   13.053   14.105   54.968 0.844 10 15 Good
 133 F -120.738  137.284   31.454   10.588   36.806 0.817 10 15 Bad
 134 Y -119.362  148.218   23.412   29.851   40.041 0.801  8 15 Warn
 135 Y -118.108  159.996   27.687   14.552   54.773 0.820  8 15 Warn
 136 A  -64.255  -27.478    5.024   13.755   62.441 0.868  8 15 Warn
 137 D  -62.768  -44.347    5.401    7.718   47.938 0.904 10 15 Good
 138 E  -69.886  -24.789    9.989   20.154   53.514 0.886 10 15 Good
 139 V  -82.107   -8.399   22.176   20.621   71.984 0.853 10 15 Bad
 140 P -101.324  163.915   26.752    6.098  102.633 0.834  6 15 Warn
 141 P  -75.509  152.472   25.858   11.030   99.151 0.831 10 15 Warn
 142 V -122.029  164.840   16.015   14.470   65.693 0.847 10 15 Bad
 143 D   53.264   46.831    3.015    9.051  114.677 0.849  7 15 Warn
 144 W -111.039   -1.610   15.748   14.022   89.336 0.843  8 15 Warn
 145 P  -76.206   -7.284   11.155   12.150   58.538 0.821  7 15 Warn
 146 T  -93.513  -25.729   18.565   23.132   64.095 0.812  9 15 Warn
 147 K -102.295   -3.014    9.406    9.063   36.476 0.823  5 15 Warn
 148 H -124.956  154.792   19.001   12.409   35.711 0.847 10 15 Bad
 149 I -125.286  160.136   48.740   26.898   48.846 0.864  8 15 Warn
 150 E -138.163  165.439   26.227    6.138   44.950 0.869  9 15 Warn
 151 S -126.600  171.685   22.578   21.161   51.565 0.862  7 15 Warn
 152 Y -109.681  166.002   30.240   18.655   46.972 0.860  6 15 Warn
 153 R  -69.141  -28.577   21.417   21.805   52.694 0.858 10 15 Good
 154 L  -76.537  -35.737    9.098   13.130   39.779 0.865 10 15 Good
 155 A  -84.579  -16.843   11.467   15.854   47.266 0.860 10 15 Good
 156 C -119.606  148.684   15.465   12.650   43.560 0.837 10 15 Bad
 157 T -117.473  147.603   11.153   19.971   38.481 0.834 10 15 Bad
 158 S  -67.231  -19.199   17.162   15.308   52.332 0.843  7 15 Warn
 159 L -104.374    4.397   20.443   16.488   83.744 0.883 10 14 Good
 160 G -125.659  171.149   64.252   52.269  113.828 0.893 10 14 Warn
 161 A  -65.153  -17.907    9.548   11.316  141.241 0.892  7 14 Warn
 162 E -101.924   -6.705   15.150   16.851   79.056 0.844 10 15 Good
 163 K -126.965  151.194   17.688    9.722   31.594 0.817  9 15 Warn
 164 V -122.106  161.976   23.588    9.833   37.438 0.791  6 15 Warn
 165 E -134.678  157.840   48.471   12.057   56.834 0.815 10 15 Warn
 166 V  -67.128  -30.093   11.846   11.752   66.760 0.834 10 15 Good
 167 L  -61.537  -32.327   12.147   15.231   61.966 0.866 10 15 Good
 168 R  -75.379  -22.711   15.926   15.782   68.540 0.872 10 15 Good
 169 A  -72.245  -21.425   21.435   22.516   50.695 0.868 10 15 Good
 170 A  -75.946  -18.015   17.767   16.645   41.834 0.853 10 15 Good
 171 F  -98.844   -2.324   16.450   12.272   50.561 0.844 10 15 Good
 172 R  -82.403  142.088   38.293   17.642   56.570 0.855 10 15 Warn
 173 S  -65.837  -30.970   16.405   20.344   49.209 0.866 10 15 Warn
 174 R  -62.686  -37.259    6.527    7.215   43.020 0.884 10 15 Good
 175 Y  -61.051  -37.797    6.660    8.563   39.429 0.874 10 15 Good
 176 A  -78.514  -14.065   20.062   15.369   51.068 0.876 10 15 Bad
 177 A  -68.210  -33.450   22.944   19.820   54.267 0.854 10 15 Good
 178 L  -63.001  -28.986   11.936   14.511   51.157 0.854 10 15 Good
 179 E  -79.530  -14.434   18.484   32.211   63.323 0.819 10 15 Good
 180 H   59.475   34.879    7.323   10.083   71.766 0.825 10 15 Good
 181 H -107.451   -2.089   21.041   21.456   54.469 0.831  8 15 Warn
 182 H  -57.853  -35.173    6.987    8.146   38.389 0.866 10 15 Good
 183 H  -75.953   -9.022   14.532   35.489   47.797 0.863 10 15 Warn
 184 H -104.295  140.430   22.259   10.937   57.837 0.844 10 14 Good
 185 H -102.301  135.954   23.307   36.704  103.084 0.822 10 11 Warn
 186 H 9999.000 9999.000    0.000    0.000    0.000 0.000  0  6 None


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