REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1hxx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ARLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGADAQTGNK TRLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVFDALG YTDMLPEFGG DTAYSDDFFV GRVGGVATYR NSNFFGLVDG DATA SEQUENCE LNFAVQYLGK NERDTARRSN GDGVGGSISY EYEGFGIVGA YGAADRTNLQ DATA SEQUENCE EAQPLGNGKK AEQWATGLKY DANNIYLAAN YGETRNATPI TNKFTNTSGF DATA SEQUENCE ANKTQDVLLV AQYQFDFGLR PSIAYTKSKA KDVEGIGDVD LVNYFEVGAT DATA SEQUENCE YYFNKNMSTY VDYIINQIDS DNKLGVGSDD TVAVGIVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.727 177.584 0.239 0.000 1.274 1 A CA 0.000 52.205 52.037 0.280 0.000 0.836 1 A CB 0.000 19.205 19.000 0.341 0.000 0.831 2 E N 1.844 122.145 120.200 0.169 0.000 2.104 2 E HA 0.373 4.723 4.350 -0.000 0.000 0.278 2 E C 0.576 177.268 176.600 0.154 0.000 1.127 2 E CA -0.074 56.418 56.400 0.153 0.000 0.897 2 E CB 0.081 29.844 29.700 0.104 0.000 1.043 2 E HN 0.627 nan 8.360 nan 0.000 0.410 3 I N 2.290 122.972 120.570 0.188 0.000 4.018 3 I HA 0.332 4.502 4.170 -0.000 0.000 0.337 3 I C -0.621 175.635 176.117 0.231 0.000 1.327 3 I CA -0.490 60.916 61.300 0.177 0.000 1.100 3 I CB 0.252 38.358 38.000 0.177 0.000 1.025 3 I HN 0.345 nan 8.210 nan 0.000 0.396 4 Y N 1.651 121.987 120.300 0.060 0.000 2.424 4 Y HA 0.513 5.063 4.550 -0.000 0.000 0.323 4 Y C -1.838 174.088 175.900 0.044 0.000 1.174 4 Y CA -1.055 57.070 58.100 0.042 0.000 1.060 4 Y CB 1.344 39.822 38.460 0.031 0.000 1.314 4 Y HN 0.106 nan 8.280 nan 0.000 0.439 5 N N 5.227 123.632 118.700 -0.491 0.000 2.793 5 N HA 0.256 4.996 4.740 -0.000 0.000 0.251 5 N C -2.168 173.090 175.510 -0.419 0.000 1.308 5 N CA -0.387 52.492 53.050 -0.284 0.000 0.781 5 N CB 1.165 39.588 38.487 -0.108 0.000 1.439 5 N HN 0.786 nan 8.380 nan 0.000 0.562 6 K N 1.779 121.922 120.400 -0.428 0.000 2.557 6 K HA 0.373 4.692 4.320 -0.000 0.000 0.261 6 K C -1.175 175.390 176.600 -0.058 0.000 0.932 6 K CA -0.325 55.798 56.287 -0.273 0.000 0.829 6 K CB 0.840 33.092 32.500 -0.412 0.000 1.358 6 K HN 0.135 nan 8.250 nan 0.000 0.430 7 D N 2.780 123.169 120.400 -0.018 0.000 2.751 7 D HA -0.185 4.454 4.640 -0.000 0.000 0.233 7 D C 0.739 177.067 176.300 0.047 0.000 1.149 7 D CA 2.263 56.279 54.000 0.028 0.000 0.682 7 D CB -1.270 39.564 40.800 0.057 0.000 1.068 7 D HN 1.138 nan 8.370 nan 0.000 0.429 8 G N -0.730 108.093 108.800 0.038 0.000 2.205 8 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.261 8 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.261 8 G C 0.203 175.152 174.900 0.082 0.000 0.980 8 G CA 0.359 45.492 45.100 0.055 0.000 0.632 8 G HN 0.611 nan 8.290 nan 0.000 0.533 9 N N 0.906 119.673 118.700 0.111 0.000 2.400 9 N HA 0.556 5.296 4.740 -0.000 0.000 0.288 9 N C -0.287 175.335 175.510 0.187 0.000 1.024 9 N CA -0.502 52.645 53.050 0.163 0.000 0.894 9 N CB 0.710 39.326 38.487 0.215 0.000 1.173 9 N HN 0.570 nan 8.380 nan 0.000 0.487 10 K N 1.363 121.867 120.400 0.173 0.000 2.397 10 K HA 0.564 4.884 4.320 -0.000 0.000 0.253 10 K C -1.470 175.253 176.600 0.204 0.000 0.932 10 K CA -0.836 55.557 56.287 0.176 0.000 0.795 10 K CB 1.493 34.058 32.500 0.109 0.000 1.159 10 K HN 0.110 nan 8.250 nan 0.000 0.424 11 V N 2.270 122.331 119.914 0.245 0.000 2.448 11 V HA 0.215 4.335 4.120 -0.000 0.000 0.295 11 V C -0.816 175.415 176.094 0.229 0.000 1.025 11 V CA -0.654 61.776 62.300 0.217 0.000 0.859 11 V CB 1.544 33.461 31.823 0.157 0.000 0.988 11 V HN 0.864 nan 8.190 nan 0.000 0.431 12 D N 4.226 124.780 120.400 0.258 0.000 2.349 12 D HA 0.374 5.014 4.640 -0.000 0.000 0.232 12 D C -1.027 175.496 176.300 0.371 0.000 1.071 12 D CA -0.390 53.778 54.000 0.279 0.000 0.832 12 D CB 1.919 42.859 40.800 0.234 0.000 1.086 12 D HN 0.402 nan 8.370 nan 0.000 0.504 13 L N 6.682 128.116 121.223 0.353 0.000 2.276 13 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 13 L C -1.365 175.714 176.870 0.348 0.000 1.024 13 L CA -0.524 54.527 54.840 0.353 0.000 0.826 13 L CB 0.432 42.698 42.059 0.344 0.000 1.211 13 L HN 0.330 nan 8.230 nan 0.000 0.422 14 Y N 3.060 123.368 120.300 0.012 0.000 2.633 14 Y HA 1.036 5.586 4.550 0.000 0.000 0.339 14 Y C -0.034 175.476 175.900 -0.649 0.000 1.045 14 Y CA -0.689 57.150 58.100 -0.435 0.000 1.098 14 Y CB 1.653 39.970 38.460 -0.238 0.000 1.296 14 Y HN 0.737 nan 8.280 nan 0.000 0.494 15 G N 0.818 109.088 108.800 -0.883 0.000 2.349 15 G HA2 0.538 4.498 3.960 -0.000 0.000 0.294 15 G HA3 0.538 4.498 3.960 -0.000 0.000 0.294 15 G C -2.286 172.431 174.900 -0.306 0.000 1.380 15 G CA -1.058 43.724 45.100 -0.531 0.000 0.811 15 G HN 1.068 nan 8.290 nan 0.000 0.519 16 K N -1.834 118.554 120.400 -0.020 0.000 2.587 16 K HA 0.785 5.105 4.320 -0.000 0.000 0.276 16 K C -1.183 175.471 176.600 0.090 0.000 0.956 16 K CA -0.784 55.539 56.287 0.060 0.000 0.857 16 K CB 2.006 34.516 32.500 0.015 0.000 1.431 16 K HN 1.595 nan 8.250 nan 0.000 0.420 17 A N 1.731 124.615 122.820 0.108 0.000 2.340 17 A HA 0.559 4.879 4.320 -0.000 0.000 0.297 17 A C -1.121 176.423 177.584 -0.067 0.000 1.195 17 A CA -0.747 51.309 52.037 0.032 0.000 0.769 17 A CB 1.102 20.168 19.000 0.109 0.000 1.163 17 A HN 0.370 nan 8.150 nan 0.000 0.472 18 V N 2.782 122.525 119.914 -0.284 0.000 2.313 18 V HA 0.527 4.647 4.120 -0.000 0.000 0.278 18 V C 0.935 176.890 176.094 -0.232 0.000 1.017 18 V CA -0.237 61.865 62.300 -0.330 0.000 0.823 18 V CB 1.344 32.751 31.823 -0.693 0.000 1.010 18 V HN 1.018 nan 8.190 nan 0.000 0.443 19 G N 4.947 113.680 108.800 -0.112 0.000 2.351 19 G HA2 0.522 4.482 3.960 -0.000 0.000 0.287 19 G HA3 0.522 4.482 3.960 -0.000 0.000 0.287 19 G C -1.025 173.845 174.900 -0.050 0.000 1.159 19 G CA -0.071 44.992 45.100 -0.060 0.000 0.929 19 G HN 0.515 nan 8.290 nan 0.000 0.435 20 L N 2.296 123.511 121.223 -0.012 0.000 2.455 20 L HA 0.691 5.031 4.340 -0.000 0.000 0.264 20 L C -1.263 175.632 176.870 0.040 0.000 0.968 20 L CA -1.095 53.765 54.840 0.033 0.000 0.827 20 L CB 2.326 44.434 42.059 0.082 0.000 1.317 20 L HN 0.649 nan 8.230 nan 0.000 0.407 21 H N 3.337 122.412 119.070 0.009 0.000 2.782 21 H HA 0.599 5.155 4.556 -0.000 0.000 0.347 21 H C -1.639 173.708 175.328 0.032 0.000 1.038 21 H CA -0.357 55.625 56.048 -0.110 0.000 1.255 21 H CB 1.115 30.742 29.762 -0.225 0.000 1.623 21 H HN 0.457 nan 8.280 nan 0.000 0.525 22 Y N 4.440 124.492 120.300 -0.414 0.000 2.320 22 Y HA 0.297 4.847 4.550 -0.000 0.000 0.334 22 Y C -0.697 175.054 175.900 -0.247 0.000 1.055 22 Y CA -1.089 56.940 58.100 -0.119 0.000 1.143 22 Y CB 0.477 38.941 38.460 0.007 0.000 1.193 22 Y HN 0.516 nan 8.280 nan 0.000 0.477 23 F N 1.577 121.735 119.950 0.346 0.000 2.427 23 F HA 0.574 5.101 4.527 -0.000 0.000 0.348 23 F C 0.171 176.082 175.800 0.185 0.000 1.125 23 F CA -0.255 57.898 58.000 0.255 0.000 0.989 23 F CB 1.548 40.676 39.000 0.213 0.000 1.165 23 F HN 0.267 nan 8.300 nan 0.000 0.442 24 S N 2.021 117.903 115.700 0.304 0.000 2.651 24 S HA 0.504 4.974 4.470 -0.000 0.000 0.279 24 S C -0.970 173.734 174.600 0.173 0.000 1.148 24 S CA -1.182 57.144 58.200 0.210 0.000 0.837 24 S CB 2.422 65.717 63.200 0.159 0.000 1.138 24 S HN 0.391 nan 8.310 nan 0.000 0.478 25 K N 0.201 120.681 120.400 0.133 0.000 2.106 25 K HA 0.711 5.031 4.320 -0.000 0.000 0.246 25 K C 0.452 177.103 176.600 0.085 0.000 0.987 25 K CA 0.188 56.539 56.287 0.107 0.000 0.904 25 K CB 1.302 33.856 32.500 0.089 0.000 1.071 25 K HN 0.964 nan 8.250 nan 0.000 0.453 26 G N 1.223 110.065 108.800 0.071 0.000 2.378 26 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.198 26 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.198 26 G C -0.720 174.212 174.900 0.052 0.000 1.223 26 G CA -0.558 44.577 45.100 0.057 0.000 1.088 26 G HN 0.650 nan 8.290 nan 0.000 0.530 27 N N 0.901 119.627 118.700 0.043 0.000 2.920 27 N HA 0.462 5.202 4.740 -0.000 0.000 0.310 27 N C 1.279 176.808 175.510 0.032 0.000 1.384 27 N CA 0.800 53.870 53.050 0.035 0.000 1.083 27 N CB -0.058 38.445 38.487 0.027 0.000 1.389 27 N HN 0.933 nan 8.380 nan 0.000 0.521 28 G N -0.438 108.382 108.800 0.032 0.000 3.314 28 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.238 28 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.238 28 G C 0.804 175.721 174.900 0.029 0.000 1.184 28 G CA -0.217 44.909 45.100 0.044 0.000 0.806 28 G HN 0.460 nan 8.290 nan 0.000 0.536 29 E N -0.015 120.194 120.200 0.016 0.000 2.448 29 E HA -0.166 4.184 4.350 -0.000 0.000 0.203 29 E C 1.458 178.057 176.600 -0.003 0.000 1.046 29 E CA 0.695 57.095 56.400 -0.001 0.000 0.871 29 E CB 0.093 29.791 29.700 -0.004 0.000 0.790 29 E HN 0.478 nan 8.360 nan 0.000 0.545 30 N N -0.072 118.638 118.700 0.018 0.000 2.241 30 N HA -0.016 4.724 4.740 -0.000 0.000 0.238 30 N C -0.953 174.580 175.510 0.038 0.000 1.244 30 N CA -0.154 52.911 53.050 0.025 0.000 0.880 30 N CB 0.747 39.257 38.487 0.037 0.000 1.179 30 N HN 0.019 nan 8.380 nan 0.000 0.513 31 S N -1.554 114.168 115.700 0.037 0.000 2.681 31 S HA 0.204 4.674 4.470 -0.000 0.000 0.299 31 S C 0.932 175.552 174.600 0.034 0.000 1.113 31 S CA -0.719 57.513 58.200 0.053 0.000 1.013 31 S CB 0.969 64.211 63.200 0.071 0.000 1.076 31 S HN 0.208 nan 8.310 nan 0.000 0.534 32 Y N 2.229 122.467 120.300 -0.103 0.000 2.097 32 Y HA 0.069 4.619 4.550 -0.000 0.000 0.282 32 Y C 2.063 177.852 175.900 -0.184 0.000 1.152 32 Y CA 2.355 60.347 58.100 -0.180 0.000 1.136 32 Y CB -0.875 37.380 38.460 -0.341 0.000 0.975 32 Y HN 0.801 nan 8.280 nan 0.000 0.498 33 G N -1.398 107.266 108.800 -0.227 0.000 2.850 33 G HA2 0.434 4.394 3.960 -0.000 0.000 0.211 33 G HA3 0.434 4.394 3.960 -0.000 0.000 0.211 33 G C 0.485 175.488 174.900 0.172 0.000 1.124 33 G CA 0.414 45.410 45.100 -0.172 0.000 0.769 33 G HN 0.951 nan 8.290 nan 0.000 0.535 34 G N -0.364 108.520 108.800 0.139 0.000 2.466 34 G HA2 0.112 4.072 3.960 -0.000 0.000 0.316 34 G HA3 0.112 4.072 3.960 -0.000 0.000 0.316 34 G C -1.008 174.021 174.900 0.215 0.000 1.270 34 G CA -0.111 45.086 45.100 0.161 0.000 0.982 34 G HN 0.999 nan 8.290 nan 0.000 0.506 35 N N -0.706 118.062 118.700 0.113 0.000 2.484 35 N HA 0.735 5.475 4.740 -0.000 0.000 0.269 35 N C 0.086 175.518 175.510 -0.130 0.000 1.237 35 N CA 1.495 54.574 53.050 0.048 0.000 0.838 35 N CB 1.704 40.234 38.487 0.071 0.000 1.593 35 N HN 2.677 nan 8.380 nan 0.000 0.485 36 G N 1.372 109.954 108.800 -0.364 0.000 2.549 36 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.404 36 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.404 36 G C -1.334 173.053 174.900 -0.855 0.000 1.292 36 G CA -0.397 44.378 45.100 -0.542 0.000 0.935 36 G HN 0.861 nan 8.290 nan 0.000 0.512 37 D N -0.025 120.056 120.400 -0.531 0.000 2.458 37 D HA 0.461 5.100 4.640 -0.000 0.000 0.243 37 D C 1.365 177.480 176.300 -0.309 0.000 1.146 37 D CA 0.216 54.018 54.000 -0.330 0.000 0.877 37 D CB 0.332 41.079 40.800 -0.088 0.000 1.176 37 D HN 0.341 nan 8.370 nan 0.000 0.461 38 M N 2.230 121.658 119.600 -0.287 0.000 2.511 38 M HA 0.077 4.557 4.480 -0.000 0.000 0.387 38 M C -0.015 176.274 176.300 -0.019 0.000 1.112 38 M CA -0.289 54.854 55.300 -0.262 0.000 0.921 38 M CB -0.256 31.982 32.600 -0.603 0.000 1.501 38 M HN 0.245 nan 8.290 nan 0.000 0.538 39 T N 3.000 117.550 114.554 -0.007 0.000 2.891 39 T HA 0.073 4.423 4.350 -0.000 0.000 0.296 39 T C -0.428 174.344 174.700 0.121 0.000 1.025 39 T CA 0.999 63.111 62.100 0.020 0.000 1.149 39 T CB -0.231 68.635 68.868 -0.003 0.000 1.007 39 T HN 0.414 nan 8.240 nan 0.000 0.528 40 Y N -0.141 120.172 120.300 0.023 0.000 2.655 40 Y HA 0.779 5.329 4.550 -0.000 0.000 0.336 40 Y C -0.833 175.122 175.900 0.091 0.000 1.154 40 Y CA -1.828 56.303 58.100 0.052 0.000 1.055 40 Y CB 0.888 39.363 38.460 0.025 0.000 1.295 40 Y HN 0.711 nan 8.280 nan 0.000 0.465 41 A N 1.835 124.813 122.820 0.263 0.000 2.469 41 A HA 0.943 5.263 4.320 -0.000 0.000 0.299 41 A C -1.259 176.549 177.584 0.373 0.000 1.098 41 A CA -1.186 50.972 52.037 0.202 0.000 0.737 41 A CB 1.859 20.971 19.000 0.187 0.000 1.312 41 A HN 0.665 nan 8.150 nan 0.000 0.414 42 R N -0.105 120.553 120.500 0.262 0.000 2.750 42 R HA 0.718 5.058 4.340 -0.000 0.000 0.281 42 R C -1.970 174.400 176.300 0.116 0.000 0.972 42 R CA -0.709 55.508 56.100 0.195 0.000 0.912 42 R CB 1.754 32.133 30.300 0.132 0.000 1.187 42 R HN 0.629 nan 8.270 nan 0.000 0.464 43 L N 0.043 121.286 121.223 0.032 0.000 2.422 43 L HA 0.827 5.167 4.340 -0.000 0.000 0.264 43 L C -0.672 175.894 176.870 -0.507 0.000 0.984 43 L CA -0.112 54.679 54.840 -0.082 0.000 0.819 43 L CB 2.400 44.615 42.059 0.261 0.000 1.330 43 L HN 0.772 nan 8.230 nan 0.000 0.410 44 G N 2.405 110.752 108.800 -0.755 0.000 2.623 44 G HA2 0.631 4.591 3.960 -0.000 0.000 0.290 44 G HA3 0.631 4.591 3.960 -0.000 0.000 0.290 44 G C -1.977 172.606 174.900 -0.528 0.000 1.437 44 G CA -0.440 44.081 45.100 -0.967 0.000 0.798 44 G HN 0.703 nan 8.290 nan 0.000 0.488 45 F N -1.027 118.902 119.950 -0.034 0.000 2.588 45 F HA 0.889 5.416 4.527 -0.000 0.000 0.314 45 F C -0.724 175.242 175.800 0.277 0.000 1.069 45 F CA -1.663 56.437 58.000 0.167 0.000 0.931 45 F CB 2.151 41.267 39.000 0.193 0.000 1.260 45 F HN 0.348 nan 8.300 nan 0.000 0.465 46 K N 1.927 122.667 120.400 0.566 0.000 2.541 46 K HA 0.657 4.977 4.320 -0.000 0.000 0.250 46 K C -0.703 176.119 176.600 0.371 0.000 0.950 46 K CA -0.940 55.579 56.287 0.386 0.000 0.805 46 K CB 2.343 34.985 32.500 0.237 0.000 1.166 46 K HN 1.079 nan 8.250 nan 0.000 0.430 47 G N 1.555 110.568 108.800 0.356 0.000 2.481 47 G HA2 0.546 4.506 3.960 -0.000 0.000 0.315 47 G HA3 0.546 4.506 3.960 -0.000 0.000 0.315 47 G C -1.362 173.687 174.900 0.247 0.000 1.231 47 G CA -0.298 44.958 45.100 0.260 0.000 0.968 47 G HN 0.529 nan 8.290 nan 0.000 0.482 48 E N -0.360 119.963 120.200 0.206 0.000 2.311 48 E HA 0.450 4.799 4.350 -0.000 0.000 0.281 48 E C -1.562 175.137 176.600 0.165 0.000 0.905 48 E CA -0.546 55.979 56.400 0.209 0.000 0.778 48 E CB 2.323 32.125 29.700 0.170 0.000 1.240 48 E HN 0.473 nan 8.360 nan 0.000 0.410 49 T N 2.902 117.551 114.554 0.158 0.000 2.824 49 T HA 0.307 4.657 4.350 -0.000 0.000 0.282 49 T C -1.016 173.755 174.700 0.118 0.000 0.993 49 T CA -0.512 61.662 62.100 0.124 0.000 0.967 49 T CB 1.253 70.183 68.868 0.104 0.000 0.960 49 T HN 0.395 nan 8.240 nan 0.000 0.441 50 Q N 4.776 124.635 119.800 0.099 0.000 2.361 50 Q HA 0.350 4.690 4.340 -0.000 0.000 0.250 50 Q C 0.920 176.969 176.000 0.081 0.000 1.023 50 Q CA -0.303 55.556 55.803 0.092 0.000 0.915 50 Q CB 1.238 30.022 28.738 0.077 0.000 1.238 50 Q HN 0.720 nan 8.270 nan 0.000 0.451 51 I N 1.592 122.212 120.570 0.083 0.000 2.333 51 I HA -0.195 3.975 4.170 -0.000 0.000 0.246 51 I C 0.588 176.742 176.117 0.061 0.000 1.106 51 I CA 0.975 62.314 61.300 0.065 0.000 1.411 51 I CB 0.007 38.043 38.000 0.060 0.000 1.082 51 I HN 0.680 nan 8.210 nan 0.000 0.420 52 N N -2.703 116.042 118.700 0.074 0.000 3.364 52 N HA 0.141 4.881 4.740 -0.000 0.000 0.294 52 N C 0.116 175.679 175.510 0.088 0.000 1.562 52 N CA -0.516 52.578 53.050 0.073 0.000 0.862 52 N CB 0.734 39.263 38.487 0.070 0.000 1.691 52 N HN -0.344 nan 8.380 nan 0.000 0.572 53 S N -1.264 114.487 115.700 0.084 0.000 2.419 53 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 53 S C 0.203 174.866 174.600 0.106 0.000 1.016 53 S CA 1.260 59.510 58.200 0.082 0.000 0.974 53 S CB -0.507 62.733 63.200 0.068 0.000 0.786 53 S HN 0.531 nan 8.310 nan 0.000 0.492 54 D N -0.325 120.168 120.400 0.155 0.000 2.392 54 D HA 0.211 4.851 4.640 -0.000 0.000 0.206 54 D C -0.192 176.290 176.300 0.304 0.000 1.046 54 D CA 0.131 54.258 54.000 0.212 0.000 0.865 54 D CB 0.256 41.246 40.800 0.317 0.000 0.969 54 D HN 0.217 nan 8.370 nan 0.000 0.509 55 L N 0.898 122.269 121.223 0.246 0.000 2.325 55 L HA 0.392 4.732 4.340 -0.000 0.000 0.281 55 L C -0.715 176.258 176.870 0.171 0.000 1.004 55 L CA -0.041 54.935 54.840 0.228 0.000 0.823 55 L CB 1.979 44.112 42.059 0.124 0.000 1.236 55 L HN -0.309 nan 8.230 nan 0.000 0.415 56 T N 3.580 118.255 114.554 0.202 0.000 2.829 56 T HA 0.773 5.123 4.350 -0.000 0.000 0.280 56 T C -0.065 174.777 174.700 0.236 0.000 0.999 56 T CA -0.443 61.781 62.100 0.207 0.000 0.983 56 T CB 1.578 70.582 68.868 0.227 0.000 0.968 56 T HN 0.778 nan 8.240 nan 0.000 0.446 57 G N 1.606 110.521 108.800 0.192 0.000 2.417 57 G HA2 0.731 4.691 3.960 -0.000 0.000 0.334 57 G HA3 0.731 4.691 3.960 -0.000 0.000 0.334 57 G C -1.582 173.451 174.900 0.222 0.000 1.150 57 G CA -0.753 44.418 45.100 0.118 0.000 0.923 57 G HN 0.732 nan 8.290 nan 0.000 0.485 58 Y N -1.570 118.813 120.300 0.139 0.000 2.609 58 Y HA 0.798 5.348 4.550 0.000 0.000 0.336 58 Y C -0.122 175.861 175.900 0.139 0.000 1.129 58 Y CA -1.397 56.787 58.100 0.141 0.000 1.040 58 Y CB 1.323 39.874 38.460 0.153 0.000 1.310 58 Y HN 0.948 nan 8.280 nan 0.000 0.460 59 G N 0.878 109.852 108.800 0.290 0.000 2.733 59 G HA2 0.540 4.500 3.960 -0.000 0.000 0.297 59 G HA3 0.540 4.500 3.960 -0.000 0.000 0.297 59 G C -2.486 172.437 174.900 0.037 0.000 1.422 59 G CA -0.960 44.219 45.100 0.131 0.000 0.942 59 G HN 0.865 nan 8.290 nan 0.000 0.510 60 Q N -0.098 119.461 119.800 -0.403 0.000 2.340 60 Q HA 0.596 4.936 4.340 -0.000 0.000 0.276 60 Q C -2.237 173.410 176.000 -0.589 0.000 1.048 60 Q CA -1.006 54.486 55.803 -0.518 0.000 0.832 60 Q CB 2.913 31.288 28.738 -0.605 0.000 1.373 60 Q HN 0.691 nan 8.270 nan 0.000 0.409 61 W N 3.255 124.006 121.300 -0.916 0.000 3.129 61 W HA 0.574 5.234 4.660 -0.000 0.000 0.333 61 W C -1.966 174.252 176.519 -0.502 0.000 1.141 61 W CA -0.267 56.634 57.345 -0.740 0.000 1.224 61 W CB 1.598 30.542 29.460 -0.860 0.000 1.393 61 W HN 0.705 nan 8.180 nan 0.000 0.499 62 E N 4.902 124.414 120.200 -1.146 0.000 2.321 62 E HA 0.307 4.657 4.350 -0.000 0.000 0.278 62 E C -2.328 173.618 176.600 -1.090 0.000 0.902 62 E CA -0.773 54.998 56.400 -1.047 0.000 0.758 62 E CB 2.192 31.650 29.700 -0.404 0.000 1.213 62 E HN 0.532 nan 8.360 nan 0.000 0.426 63 Y N 2.668 122.276 120.300 -1.154 0.000 2.536 63 Y HA 0.455 5.005 4.550 -0.000 0.000 0.347 63 Y C -0.972 174.588 175.900 -0.567 0.000 1.000 63 Y CA -0.837 56.765 58.100 -0.831 0.000 1.051 63 Y CB 1.912 39.855 38.460 -0.862 0.000 1.259 63 Y HN 0.588 nan 8.280 nan 0.000 0.468 64 N N 3.005 121.254 118.700 -0.752 0.000 2.407 64 N HA 0.379 5.119 4.740 -0.000 0.000 0.277 64 N C -2.150 173.129 175.510 -0.384 0.000 0.995 64 N CA -0.297 52.510 53.050 -0.406 0.000 0.903 64 N CB 0.480 38.726 38.487 -0.401 0.000 1.218 64 N HN 0.383 nan 8.380 nan 0.000 0.487 65 F N 2.121 122.168 119.950 0.161 0.000 2.375 65 F HA 0.359 4.885 4.527 -0.000 0.000 0.361 65 F C 0.518 176.404 175.800 0.144 0.000 1.117 65 F CA -0.812 57.306 58.000 0.197 0.000 1.037 65 F CB 1.244 40.363 39.000 0.198 0.000 1.192 65 F HN 0.222 nan 8.300 nan 0.000 0.452 66 Q N 1.608 121.547 119.800 0.232 0.000 2.392 66 Q HA 0.223 4.563 4.340 -0.000 0.000 0.262 66 Q C 0.952 177.058 176.000 0.177 0.000 1.003 66 Q CA 0.218 56.125 55.803 0.175 0.000 0.888 66 Q CB 1.368 30.150 28.738 0.074 0.000 1.260 66 Q HN 0.943 nan 8.270 nan 0.000 0.435 67 G N 1.514 110.400 108.800 0.143 0.000 3.651 67 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.279 67 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.279 67 G C 0.308 175.237 174.900 0.048 0.000 1.024 67 G CA -0.283 44.871 45.100 0.090 0.000 0.813 67 G HN 0.602 nan 8.290 nan 0.000 0.518 68 N N -0.010 118.712 118.700 0.037 0.000 2.351 68 N HA 0.117 4.857 4.740 -0.000 0.000 0.254 68 N C -0.619 174.891 175.510 0.000 0.000 1.241 68 N CA -0.638 52.413 53.050 0.002 0.000 0.883 68 N CB 0.033 38.499 38.487 -0.035 0.000 1.202 68 N HN -0.052 nan 8.380 nan 0.000 0.512 69 N N 0.199 118.911 118.700 0.019 0.000 2.443 69 N HA 0.251 4.991 4.740 -0.000 0.000 0.293 69 N C 0.100 175.621 175.510 0.018 0.000 1.159 69 N CA -0.387 52.673 53.050 0.017 0.000 0.904 69 N CB 1.798 40.303 38.487 0.030 0.000 1.214 69 N HN 0.318 nan 8.380 nan 0.000 0.513 70 S N -0.468 115.240 115.700 0.013 0.000 2.641 70 S HA 0.182 4.652 4.470 -0.000 0.000 0.261 70 S C 0.609 175.220 174.600 0.018 0.000 1.257 70 S CA -0.272 57.935 58.200 0.013 0.000 0.983 70 S CB 0.707 63.912 63.200 0.009 0.000 0.990 70 S HN 0.527 nan 8.310 nan 0.000 0.572 71 E N -0.017 120.192 120.200 0.015 0.000 2.465 71 E HA 0.187 4.537 4.350 -0.000 0.000 0.191 71 E C 1.119 177.728 176.600 0.015 0.000 1.053 71 E CA -0.010 56.400 56.400 0.016 0.000 0.869 71 E CB -0.052 29.654 29.700 0.010 0.000 0.977 71 E HN 0.713 nan 8.360 nan 0.000 0.483 72 G N 0.668 109.476 108.800 0.013 0.000 2.624 72 G HA2 0.206 4.166 3.960 -0.000 0.000 0.217 72 G HA3 0.206 4.166 3.960 -0.000 0.000 0.217 72 G C 1.089 175.998 174.900 0.014 0.000 1.506 72 G CA 0.223 45.330 45.100 0.012 0.000 1.072 72 G HN 0.167 nan 8.290 nan 0.000 0.568 73 A N 0.066 122.893 122.820 0.011 0.000 1.978 73 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 73 A C 1.841 179.432 177.584 0.012 0.000 1.170 73 A CA 2.281 54.325 52.037 0.011 0.000 0.636 73 A CB -0.484 18.520 19.000 0.007 0.000 0.810 73 A HN 0.631 nan 8.150 nan 0.000 0.448 74 D N -0.412 119.995 120.400 0.011 0.000 2.328 74 D HA 0.276 4.916 4.640 -0.000 0.000 0.226 74 D C 1.488 177.800 176.300 0.021 0.000 1.066 74 D CA 0.730 54.736 54.000 0.011 0.000 0.861 74 D CB -0.223 40.579 40.800 0.004 0.000 0.912 74 D HN 0.335 nan 8.370 nan 0.000 0.521 75 A N 1.095 123.932 122.820 0.029 0.000 1.958 75 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 75 A C 2.096 179.719 177.584 0.066 0.000 1.178 75 A CA 1.396 53.460 52.037 0.046 0.000 0.642 75 A CB -0.323 18.706 19.000 0.048 0.000 0.816 75 A HN 0.150 nan 8.150 nan 0.000 0.453 76 Q N 0.003 119.839 119.800 0.060 0.000 2.403 76 Q HA 0.051 4.391 4.340 -0.000 0.000 0.203 76 Q C 0.083 176.108 176.000 0.041 0.000 0.932 76 Q CA 0.331 56.178 55.803 0.074 0.000 0.945 76 Q CB -0.832 27.945 28.738 0.066 0.000 1.045 76 Q HN 0.550 nan 8.270 nan 0.000 0.511 77 T N 1.185 115.752 114.554 0.022 0.000 2.866 77 T HA 0.214 4.564 4.350 -0.000 0.000 0.293 77 T C 1.245 175.933 174.700 -0.020 0.000 1.005 77 T CA 1.145 63.243 62.100 -0.005 0.000 1.162 77 T CB 0.318 69.180 68.868 -0.010 0.000 0.968 77 T HN 0.587 nan 8.240 nan 0.000 0.530 78 G N 3.560 112.329 108.800 -0.052 0.000 2.179 78 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 78 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 78 G C 0.167 174.987 174.900 -0.133 0.000 0.977 78 G CA -0.364 44.682 45.100 -0.091 0.000 0.641 78 G HN 0.671 nan 8.290 nan 0.000 0.533 79 N N 1.582 120.224 118.700 -0.098 0.000 2.530 79 N HA 0.563 5.303 4.740 -0.000 0.000 0.273 79 N C 0.298 175.587 175.510 -0.369 0.000 1.173 79 N CA 0.608 53.550 53.050 -0.181 0.000 0.967 79 N CB 1.103 39.624 38.487 0.057 0.000 1.109 79 N HN 0.817 nan 8.380 nan 0.000 0.453 80 K N -0.889 118.990 120.400 -0.868 0.000 2.660 80 K HA 0.227 4.547 4.320 -0.000 0.000 0.285 80 K C -1.442 174.400 176.600 -1.263 0.000 0.997 80 K CA -0.631 55.154 56.287 -0.837 0.000 0.861 80 K CB 0.134 32.372 32.500 -0.437 0.000 1.469 80 K HN 0.262 nan 8.250 nan 0.000 0.395 81 T N 2.121 116.273 114.554 -0.670 0.000 2.851 81 T HA 0.262 4.612 4.350 -0.000 0.000 0.298 81 T C 1.127 175.595 174.700 -0.387 0.000 0.977 81 T CA -0.199 61.666 62.100 -0.391 0.000 1.126 81 T CB 0.859 69.756 68.868 0.048 0.000 0.916 81 T HN 0.475 nan 8.240 nan 0.000 0.529 82 R N 2.041 122.286 120.500 -0.425 0.000 2.105 82 R HA 0.339 4.679 4.340 -0.000 0.000 0.214 82 R C 0.090 176.212 176.300 -0.297 0.000 1.091 82 R CA 0.581 56.467 56.100 -0.356 0.000 1.007 82 R CB 0.264 30.357 30.300 -0.346 0.000 0.912 82 R HN 0.446 nan 8.270 nan 0.000 0.450 83 L N -0.393 120.676 121.223 -0.256 0.000 2.401 83 L HA 0.671 5.011 4.340 -0.000 0.000 0.266 83 L C -1.349 175.483 176.870 -0.064 0.000 0.991 83 L CA -1.019 53.753 54.840 -0.113 0.000 0.818 83 L CB 2.413 44.454 42.059 -0.030 0.000 1.321 83 L HN -0.023 nan 8.230 nan 0.000 0.413 84 A N 3.631 126.491 122.820 0.067 0.000 2.626 84 A HA 0.711 5.030 4.320 -0.000 0.000 0.293 84 A C -1.223 176.439 177.584 0.129 0.000 1.111 84 A CA -0.347 51.737 52.037 0.078 0.000 0.874 84 A CB 0.411 19.514 19.000 0.173 0.000 1.451 84 A HN 0.606 nan 8.150 nan 0.000 0.396 85 F N -0.312 119.654 119.950 0.026 0.000 2.668 85 F HA 0.948 5.475 4.527 -0.000 0.000 0.309 85 F C -0.315 175.522 175.800 0.061 0.000 1.117 85 F CA -0.806 57.200 58.000 0.010 0.000 0.951 85 F CB 1.224 40.211 39.000 -0.022 0.000 1.323 85 F HN 0.909 nan 8.300 nan 0.000 0.451 86 A N 0.593 123.563 122.820 0.250 0.000 2.498 86 A HA 1.017 5.337 4.320 -0.000 0.000 0.298 86 A C -0.617 176.955 177.584 -0.021 0.000 1.075 86 A CA -0.357 51.731 52.037 0.085 0.000 0.714 86 A CB 1.478 20.515 19.000 0.062 0.000 1.299 86 A HN 1.969 nan 8.150 nan 0.000 0.407 87 G N -0.651 107.893 108.800 -0.426 0.000 2.606 87 G HA2 0.604 4.564 3.960 -0.000 0.000 0.300 87 G HA3 0.604 4.564 3.960 -0.000 0.000 0.300 87 G C -1.941 172.566 174.900 -0.655 0.000 1.360 87 G CA -0.596 44.172 45.100 -0.553 0.000 0.783 87 G HN 0.818 nan 8.290 nan 0.000 0.484 88 L N 0.014 121.118 121.223 -0.199 0.000 2.401 88 L HA 0.655 4.994 4.340 -0.000 0.000 0.266 88 L C -0.468 176.594 176.870 0.321 0.000 0.991 88 L CA -0.839 54.041 54.840 0.068 0.000 0.818 88 L CB 2.732 44.870 42.059 0.131 0.000 1.321 88 L HN 0.511 nan 8.230 nan 0.000 0.413 89 K N 2.005 122.634 120.400 0.381 0.000 2.426 89 K HA 0.418 4.738 4.320 -0.000 0.000 0.254 89 K C -1.958 174.844 176.600 0.337 0.000 0.936 89 K CA -0.600 55.904 56.287 0.361 0.000 0.801 89 K CB 1.707 34.410 32.500 0.337 0.000 1.139 89 K HN 0.432 nan 8.250 nan 0.000 0.424 90 Y N 4.644 125.031 120.300 0.145 0.000 2.338 90 Y HA 0.429 4.979 4.550 0.000 0.000 0.328 90 Y C 0.209 176.167 175.900 0.097 0.000 0.965 90 Y CA -0.109 58.063 58.100 0.119 0.000 1.208 90 Y CB 0.554 39.090 38.460 0.127 0.000 1.132 90 Y HN 0.964 nan 8.280 nan 0.000 0.469 91 A N 4.043 126.837 122.820 -0.043 0.000 5.476 91 A HA -0.338 3.982 4.320 -0.000 0.000 0.327 91 A C 1.036 178.540 177.584 -0.133 0.000 1.778 91 A CA 2.093 54.016 52.037 -0.189 0.000 0.721 91 A CB -1.499 17.194 19.000 -0.512 0.000 1.388 91 A HN 0.724 nan 8.150 nan 0.000 0.397 92 D N -0.629 119.680 120.400 -0.151 0.000 2.342 92 D HA 0.307 4.947 4.640 -0.000 0.000 0.221 92 D C 1.432 177.712 176.300 -0.035 0.000 1.101 92 D CA 0.790 54.747 54.000 -0.071 0.000 0.837 92 D CB 0.161 40.956 40.800 -0.010 0.000 0.938 92 D HN 0.275 nan 8.370 nan 0.000 0.508 93 V N 0.250 120.144 119.914 -0.034 0.000 2.719 93 V HA 0.183 4.303 4.120 -0.000 0.000 0.252 93 V C 1.387 177.573 176.094 0.153 0.000 1.065 93 V CA 1.177 63.578 62.300 0.168 0.000 1.086 93 V CB -0.269 31.661 31.823 0.179 0.000 0.700 93 V HN 0.410 nan 8.190 nan 0.000 0.467 94 G N 0.052 108.870 108.800 0.031 0.000 2.343 94 G HA2 0.140 4.100 3.960 -0.000 0.000 0.465 94 G HA3 0.140 4.100 3.960 -0.000 0.000 0.465 94 G C -0.500 174.442 174.900 0.071 0.000 1.282 94 G CA -0.254 44.788 45.100 -0.096 0.000 0.996 94 G HN 0.790 nan 8.290 nan 0.000 0.521 95 S N -1.267 114.415 115.700 -0.030 0.000 2.566 95 S HA 0.869 5.339 4.470 -0.000 0.000 0.298 95 S C -1.104 173.668 174.600 0.286 0.000 1.083 95 S CA -0.591 57.721 58.200 0.187 0.000 0.978 95 S CB 2.454 65.757 63.200 0.172 0.000 1.073 95 S HN 1.950 nan 8.310 nan 0.000 0.491 96 F N 1.774 121.867 119.950 0.239 0.000 2.561 96 F HA 0.649 5.176 4.527 -0.000 0.000 0.313 96 F C -1.829 174.091 175.800 0.201 0.000 1.126 96 F CA -0.545 57.605 58.000 0.249 0.000 0.918 96 F CB 1.628 40.789 39.000 0.269 0.000 1.199 96 F HN 0.913 nan 8.300 nan 0.000 0.444 97 D N 3.517 123.505 120.400 -0.686 0.000 2.596 97 D HA 0.435 5.075 4.640 -0.000 0.000 0.234 97 D C -2.005 173.964 176.300 -0.551 0.000 1.181 97 D CA -0.595 53.143 54.000 -0.437 0.000 0.856 97 D CB 2.061 42.847 40.800 -0.024 0.000 1.498 97 D HN 0.476 nan 8.370 nan 0.000 0.446 98 Y N 0.031 120.151 120.300 -0.299 0.000 2.504 98 Y HA 0.661 5.211 4.550 -0.000 0.000 0.344 98 Y C 0.103 176.024 175.900 0.035 0.000 1.023 98 Y CA 0.416 58.428 58.100 -0.148 0.000 1.020 98 Y CB 1.905 40.338 38.460 -0.046 0.000 1.282 98 Y HN 1.003 nan 8.280 nan 0.000 0.454 99 G N 3.972 112.270 108.800 -0.836 0.000 2.291 99 G HA2 0.019 3.979 3.960 -0.000 0.000 0.249 99 G HA3 0.019 3.979 3.960 -0.000 0.000 0.249 99 G C -1.707 172.987 174.900 -0.342 0.000 1.340 99 G CA -1.077 43.730 45.100 -0.488 0.000 1.017 99 G HN 0.745 nan 8.290 nan 0.000 0.470 100 R N 1.045 121.471 120.500 -0.123 0.000 2.216 100 R HA 0.564 4.904 4.340 -0.000 0.000 0.332 100 R C -0.527 175.731 176.300 -0.069 0.000 1.056 100 R CA -0.336 55.688 56.100 -0.126 0.000 0.901 100 R CB 0.217 30.455 30.300 -0.103 0.000 1.039 100 R HN 0.588 nan 8.270 nan 0.000 0.456 101 N N 2.483 121.062 118.700 -0.201 0.000 2.972 101 N HA 0.183 4.923 4.740 -0.000 0.000 0.262 101 N C -1.671 173.657 175.510 -0.303 0.000 1.478 101 N CA -0.686 52.207 53.050 -0.262 0.000 0.841 101 N CB 0.699 38.928 38.487 -0.428 0.000 1.512 101 N HN 0.272 nan 8.380 nan 0.000 0.548 102 Y N 0.515 120.704 120.300 -0.186 0.000 2.425 102 Y HA 0.321 4.871 4.550 0.000 0.000 0.331 102 Y C 1.619 177.490 175.900 -0.048 0.000 1.157 102 Y CA 0.506 58.513 58.100 -0.155 0.000 1.372 102 Y CB 0.337 38.706 38.460 -0.151 0.000 1.253 102 Y HN 0.462 nan 8.280 nan 0.000 0.536 103 G N 1.389 110.286 108.800 0.162 0.000 2.544 103 G HA2 0.254 4.214 3.960 -0.000 0.000 0.242 103 G HA3 0.254 4.214 3.960 -0.000 0.000 0.242 103 G C 0.890 175.968 174.900 0.297 0.000 1.247 103 G CA -0.213 45.021 45.100 0.223 0.000 0.840 103 G HN 0.736 nan 8.290 nan 0.000 0.578 104 V N 0.766 120.861 119.914 0.302 0.000 2.594 104 V HA -0.152 3.968 4.120 -0.000 0.000 0.253 104 V C 2.632 178.827 176.094 0.170 0.000 1.069 104 V CA 1.479 63.897 62.300 0.196 0.000 1.082 104 V CB -0.937 30.953 31.823 0.112 0.000 0.680 104 V HN 0.417 nan 8.190 nan 0.000 0.469 105 V N -0.565 119.473 119.914 0.207 0.000 2.913 105 V HA -0.118 4.002 4.120 -0.000 0.000 0.260 105 V C 2.141 178.320 176.094 0.142 0.000 1.098 105 V CA 1.802 64.187 62.300 0.142 0.000 1.121 105 V CB -1.009 30.900 31.823 0.143 0.000 0.714 105 V HN 0.577 nan 8.190 nan 0.000 0.487 106 F N 1.405 121.398 119.950 0.072 0.000 2.451 106 F HA -0.092 4.435 4.527 0.000 0.000 0.299 106 F C 1.844 177.625 175.800 -0.032 0.000 1.101 106 F CA 1.040 59.054 58.000 0.023 0.000 1.436 106 F CB -0.131 38.911 39.000 0.070 0.000 1.074 106 F HN 0.222 nan 8.300 nan 0.000 0.553 107 D N 0.276 120.687 120.400 0.019 0.000 2.149 107 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 107 D C 2.289 178.457 176.300 -0.219 0.000 0.990 107 D CA 1.492 55.454 54.000 -0.063 0.000 0.839 107 D CB -0.304 40.498 40.800 0.003 0.000 0.948 107 D HN 0.379 nan 8.370 nan 0.000 0.460 108 A N -0.080 122.589 122.820 -0.251 0.000 1.911 108 A HA 0.080 4.400 4.320 -0.000 0.000 0.212 108 A C 2.202 179.537 177.584 -0.415 0.000 1.189 108 A CA 0.205 51.993 52.037 -0.414 0.000 0.639 108 A CB -0.516 18.337 19.000 -0.245 0.000 0.839 108 A HN 0.164 nan 8.150 nan 0.000 0.449 109 L N -0.088 120.925 121.223 -0.350 0.000 2.265 109 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 109 L C 2.564 179.091 176.870 -0.573 0.000 1.117 109 L CA 0.765 55.395 54.840 -0.351 0.000 0.782 109 L CB -0.653 41.292 42.059 -0.189 0.000 0.914 109 L HN 0.491 nan 8.230 nan 0.000 0.441 110 G N -1.048 107.164 108.800 -0.981 0.000 2.470 110 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.220 110 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.220 110 G C 1.250 176.063 174.900 -0.145 0.000 1.121 110 G CA 0.206 44.791 45.100 -0.860 0.000 0.766 110 G HN 0.220 nan 8.290 nan 0.000 0.553 111 Y N 1.833 122.003 120.300 -0.217 0.000 2.128 111 Y HA -0.149 4.400 4.550 -0.000 0.000 0.284 111 Y C 3.178 179.129 175.900 0.085 0.000 1.154 111 Y CA 1.470 59.561 58.100 -0.015 0.000 1.149 111 Y CB -0.822 37.627 38.460 -0.018 0.000 0.976 111 Y HN 0.320 nan 8.280 nan 0.000 0.505 112 T N -3.522 111.135 114.554 0.171 0.000 3.069 112 T HA 0.063 4.413 4.350 -0.000 0.000 0.252 112 T C 0.471 175.208 174.700 0.062 0.000 1.053 112 T CA 0.208 62.388 62.100 0.133 0.000 0.964 112 T CB -0.138 68.783 68.868 0.089 0.000 1.005 112 T HN -0.023 nan 8.240 nan 0.000 0.532 113 D N 1.467 121.872 120.400 0.009 0.000 2.713 113 D HA 0.204 4.843 4.640 -0.000 0.000 0.229 113 D C 0.517 176.814 176.300 -0.005 0.000 1.136 113 D CA -0.263 53.754 54.000 0.028 0.000 1.010 113 D CB -0.156 40.694 40.800 0.083 0.000 1.084 113 D HN 0.224 nan 8.370 nan 0.000 0.495 114 M N 1.461 121.043 119.600 -0.029 0.000 2.410 114 M HA 0.155 4.634 4.480 -0.000 0.000 0.376 114 M C -0.022 176.234 176.300 -0.073 0.000 1.051 114 M CA -0.229 55.007 55.300 -0.106 0.000 0.949 114 M CB 0.148 32.607 32.600 -0.234 0.000 1.577 114 M HN 0.103 nan 8.290 nan 0.000 0.560 115 L N 1.341 122.549 121.223 -0.025 0.000 2.472 115 L HA 0.163 4.503 4.340 -0.000 0.000 0.260 115 L C -0.864 175.924 176.870 -0.137 0.000 1.209 115 L CA -1.322 53.501 54.840 -0.029 0.000 0.817 115 L CB -0.202 41.884 42.059 0.046 0.000 1.106 115 L HN -0.065 nan 8.230 nan 0.000 0.479 116 P HA -0.171 nan 4.420 nan 0.000 0.215 116 P C 0.814 177.665 177.300 -0.749 0.000 1.153 116 P CA 1.249 64.055 63.100 -0.490 0.000 0.853 116 P CB 0.412 31.855 31.700 -0.428 0.000 0.788 117 E N -3.073 116.806 120.200 -0.535 0.000 2.717 117 E HA 0.164 4.514 4.350 -0.000 0.000 0.204 117 E C 0.778 177.064 176.600 -0.523 0.000 0.911 117 E CA 0.173 56.218 56.400 -0.593 0.000 1.370 117 E CB -0.331 28.957 29.700 -0.686 0.000 1.315 117 E HN -0.075 nan 8.360 nan 0.000 0.643 118 F N 0.613 120.546 119.950 -0.029 0.000 2.484 118 F HA 0.668 5.195 4.527 -0.000 0.000 0.260 118 F C 1.522 177.352 175.800 0.050 0.000 0.995 118 F CA 0.349 58.366 58.000 0.028 0.000 1.075 118 F CB -0.479 38.509 39.000 -0.020 0.000 2.044 118 F HN 0.180 nan 8.300 nan 0.000 0.607 119 G N -0.868 108.151 108.800 0.364 0.000 2.782 119 G HA2 0.331 4.291 3.960 -0.000 0.000 0.228 119 G HA3 0.331 4.291 3.960 -0.000 0.000 0.228 119 G C 0.498 175.507 174.900 0.182 0.000 1.372 119 G CA -0.175 45.090 45.100 0.275 0.000 0.862 119 G HN 1.914 nan 8.290 nan 0.000 0.547 120 G N -1.242 107.626 108.800 0.113 0.000 2.305 120 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.287 120 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.287 120 G C 0.552 175.456 174.900 0.007 0.000 1.036 120 G CA 1.310 46.456 45.100 0.076 0.000 0.887 120 G HN 1.314 nan 8.290 nan 0.000 0.505 121 D N -0.645 119.746 120.400 -0.015 0.000 2.224 121 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 121 D C 2.576 178.612 176.300 -0.440 0.000 0.965 121 D CA 1.734 55.668 54.000 -0.110 0.000 0.852 121 D CB 0.049 40.868 40.800 0.031 0.000 0.947 121 D HN 0.593 nan 8.370 nan 0.000 0.494 122 T N -2.437 111.912 114.554 -0.342 0.000 3.086 122 T HA 0.301 4.651 4.350 -0.000 0.000 0.250 122 T C 1.239 175.737 174.700 -0.337 0.000 1.074 122 T CA -0.160 61.685 62.100 -0.425 0.000 0.988 122 T CB 0.190 68.975 68.868 -0.139 0.000 0.988 122 T HN 0.036 nan 8.240 nan 0.000 0.530 123 A N 1.404 124.103 122.820 -0.202 0.000 3.074 123 A HA 0.485 4.805 4.320 -0.000 0.000 0.251 123 A C -0.486 177.084 177.584 -0.024 0.000 1.695 123 A CA -0.776 51.285 52.037 0.040 0.000 1.343 123 A CB -1.317 17.861 19.000 0.296 0.000 1.078 123 A HN 0.570 nan 8.150 nan 0.000 0.644 124 Y N 0.435 120.780 120.300 0.074 0.000 2.597 124 Y HA 0.155 4.705 4.550 -0.000 0.000 0.336 124 Y C 1.303 177.196 175.900 -0.011 0.000 1.216 124 Y CA 0.465 58.581 58.100 0.027 0.000 1.463 124 Y CB 0.523 39.002 38.460 0.032 0.000 1.303 124 Y HN 0.396 nan 8.280 nan 0.000 0.576 125 S N 2.448 118.207 115.700 0.099 0.000 2.585 125 S HA 0.009 4.479 4.470 -0.000 0.000 0.273 125 S C -0.182 174.398 174.600 -0.033 0.000 1.339 125 S CA -0.617 57.566 58.200 -0.029 0.000 1.028 125 S CB 0.112 63.261 63.200 -0.086 0.000 0.906 125 S HN 0.765 nan 8.310 nan 0.000 0.528 126 D N 1.241 121.577 120.400 -0.107 0.000 2.686 126 D HA -0.172 4.468 4.640 -0.000 0.000 0.235 126 D C -0.585 175.632 176.300 -0.139 0.000 1.160 126 D CA 0.899 54.810 54.000 -0.148 0.000 0.645 126 D CB -0.834 39.883 40.800 -0.139 0.000 1.039 126 D HN 0.595 nan 8.370 nan 0.000 0.423 127 D N -0.890 119.459 120.400 -0.086 0.000 2.735 127 D HA 0.297 4.937 4.640 -0.000 0.000 0.291 127 D C 0.705 177.077 176.300 0.120 0.000 1.205 127 D CA -0.549 53.467 54.000 0.028 0.000 0.777 127 D CB -0.015 40.897 40.800 0.186 0.000 1.234 127 D HN 0.016 nan 8.370 nan 0.000 0.520 128 F N -0.300 119.560 119.950 -0.150 0.000 2.360 128 F HA -0.414 4.113 4.527 -0.000 0.000 0.355 128 F C 1.089 176.639 175.800 -0.417 0.000 1.410 128 F CA 1.483 59.272 58.000 -0.351 0.000 1.895 128 F CB -1.160 37.728 39.000 -0.186 0.000 0.892 128 F HN 0.201 nan 8.300 nan 0.000 0.204 129 F N -0.071 120.008 119.950 0.214 0.000 2.678 129 F HA 0.282 4.809 4.527 0.000 0.000 0.305 129 F C 1.538 177.421 175.800 0.138 0.000 1.090 129 F CA 0.472 58.547 58.000 0.124 0.000 1.272 129 F CB 0.055 39.102 39.000 0.077 0.000 1.060 129 F HN 0.164 nan 8.300 nan 0.000 0.576 130 V N -2.785 117.305 119.914 0.292 0.000 3.406 130 V HA 0.542 4.662 4.120 -0.000 0.000 0.263 130 V C 0.943 177.214 176.094 0.294 0.000 1.172 130 V CA 0.923 63.392 62.300 0.282 0.000 1.140 130 V CB -0.637 31.331 31.823 0.242 0.000 0.784 130 V HN 0.157 nan 8.190 nan 0.000 0.467 131 G N -0.267 108.637 108.800 0.172 0.000 2.947 131 G HA2 0.493 4.453 3.960 -0.000 0.000 0.293 131 G HA3 0.493 4.453 3.960 -0.000 0.000 0.293 131 G C -1.024 173.798 174.900 -0.129 0.000 1.243 131 G CA -1.372 43.755 45.100 0.045 0.000 0.802 131 G HN 0.208 nan 8.290 nan 0.000 0.560 132 R N -0.487 119.796 120.500 -0.361 0.000 2.537 132 R HA 0.471 4.811 4.340 -0.000 0.000 0.280 132 R C -0.580 175.543 176.300 -0.296 0.000 1.058 132 R CA 0.057 55.853 56.100 -0.506 0.000 1.057 132 R CB 0.950 30.870 30.300 -0.634 0.000 0.973 132 R HN 0.370 nan 8.270 nan 0.000 0.438 133 V N -0.245 119.505 119.914 -0.273 0.000 3.147 133 V HA 0.644 4.764 4.120 -0.000 0.000 0.306 133 V C 0.213 176.176 176.094 -0.219 0.000 1.209 133 V CA -1.317 60.844 62.300 -0.232 0.000 1.023 133 V CB 2.013 33.694 31.823 -0.236 0.000 1.059 133 V HN 0.866 nan 8.190 nan 0.000 0.435 134 G N -0.371 108.311 108.800 -0.197 0.000 2.412 134 G HA2 0.599 4.559 3.960 -0.000 0.000 0.318 134 G HA3 0.599 4.559 3.960 -0.000 0.000 0.318 134 G C 0.780 175.575 174.900 -0.175 0.000 1.146 134 G CA -0.147 44.846 45.100 -0.178 0.000 0.882 134 G HN 2.303 nan 8.290 nan 0.000 0.501 135 G N -1.182 107.482 108.800 -0.226 0.000 2.246 135 G HA2 0.063 4.023 3.960 -0.000 0.000 0.273 135 G HA3 0.063 4.023 3.960 -0.000 0.000 0.273 135 G C 0.180 175.018 174.900 -0.102 0.000 1.055 135 G CA 0.389 45.389 45.100 -0.167 0.000 0.851 135 G HN 1.854 nan 8.290 nan 0.000 0.500 136 V N -2.601 117.166 119.914 -0.245 0.000 2.483 136 V HA 0.927 5.047 4.120 -0.000 0.000 0.295 136 V C 0.449 176.556 176.094 0.022 0.000 1.035 136 V CA -0.721 61.553 62.300 -0.042 0.000 0.896 136 V CB 1.835 33.629 31.823 -0.049 0.000 0.986 136 V HN 1.645 nan 8.190 nan 0.000 0.447 137 A N 3.292 126.297 122.820 0.308 0.000 2.258 137 A HA 0.754 5.074 4.320 -0.000 0.000 0.316 137 A C 0.244 177.991 177.584 0.272 0.000 1.279 137 A CA -0.381 51.887 52.037 0.385 0.000 0.876 137 A CB 0.413 19.801 19.000 0.646 0.000 1.170 137 A HN 0.943 nan 8.150 nan 0.000 0.520 138 T N 2.381 116.950 114.554 0.024 0.000 2.792 138 T HA 0.466 4.816 4.350 -0.000 0.000 0.280 138 T C -1.138 173.680 174.700 0.196 0.000 0.990 138 T CA -0.051 62.109 62.100 0.099 0.000 0.960 138 T CB 0.714 69.560 68.868 -0.037 0.000 0.939 138 T HN 0.508 nan 8.240 nan 0.000 0.439 139 Y N 3.326 123.769 120.300 0.238 0.000 2.335 139 Y HA 0.642 5.191 4.550 -0.000 0.000 0.338 139 Y C -0.304 175.645 175.900 0.082 0.000 0.977 139 Y CA -1.085 57.174 58.100 0.264 0.000 1.114 139 Y CB 0.928 39.604 38.460 0.359 0.000 1.182 139 Y HN 0.523 nan 8.280 nan 0.000 0.463 140 R N 4.775 124.796 120.500 -0.798 0.000 2.628 140 R HA 0.338 4.678 4.340 -0.000 0.000 0.288 140 R C -1.458 174.220 176.300 -1.036 0.000 0.980 140 R CA -1.066 54.604 56.100 -0.717 0.000 0.891 140 R CB 1.897 31.990 30.300 -0.346 0.000 1.188 140 R HN 0.662 nan 8.270 nan 0.000 0.450 141 N N 0.751 118.820 118.700 -1.051 0.000 2.321 141 N HA 0.300 5.040 4.740 -0.000 0.000 0.299 141 N C -1.377 173.787 175.510 -0.577 0.000 1.048 141 N CA -0.208 52.245 53.050 -0.995 0.000 0.836 141 N CB 2.192 39.721 38.487 -1.595 0.000 1.269 141 N HN 0.415 nan 8.380 nan 0.000 0.486 142 S N 1.978 117.446 115.700 -0.386 0.000 2.472 142 S HA 0.350 4.820 4.470 -0.000 0.000 0.303 142 S C 0.014 174.552 174.600 -0.103 0.000 1.099 142 S CA -0.533 57.552 58.200 -0.192 0.000 1.077 142 S CB 0.668 63.783 63.200 -0.141 0.000 1.031 142 S HN 0.694 nan 8.310 nan 0.000 0.487 143 N N 1.373 120.084 118.700 0.018 0.000 2.725 143 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 143 N C -0.206 175.440 175.510 0.228 0.000 1.103 143 N CA 0.639 53.759 53.050 0.118 0.000 0.707 143 N CB -1.652 36.878 38.487 0.071 0.000 1.043 143 N HN 0.791 nan 8.380 nan 0.000 0.553 144 F N 0.010 119.994 119.950 0.057 0.000 2.635 144 F HA -0.324 4.203 4.527 0.000 0.000 0.228 144 F C 0.113 176.075 175.800 0.270 0.000 1.029 144 F CA 1.009 59.115 58.000 0.177 0.000 0.907 144 F CB -1.670 37.499 39.000 0.281 0.000 0.893 144 F HN 0.247 nan 8.300 nan 0.000 0.845 145 F N 0.293 120.192 119.950 -0.085 0.000 3.084 145 F HA -0.211 4.316 4.527 -0.000 0.000 0.286 145 F C 1.557 177.355 175.800 -0.002 0.000 0.855 145 F CA 1.437 59.383 58.000 -0.091 0.000 1.091 145 F CB -1.486 37.405 39.000 -0.183 0.000 1.177 145 F HN 1.070 nan 8.300 nan 0.000 0.542 146 G N -0.883 107.995 108.800 0.130 0.000 2.179 146 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 146 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 146 G C 0.822 175.822 174.900 0.166 0.000 0.977 146 G CA 0.341 45.513 45.100 0.119 0.000 0.641 146 G HN 0.538 nan 8.290 nan 0.000 0.533 147 L N -0.583 120.794 121.223 0.256 0.000 2.298 147 L HA 0.302 4.642 4.340 -0.000 0.000 0.209 147 L C 0.807 177.824 176.870 0.245 0.000 1.084 147 L CA 0.593 55.590 54.840 0.262 0.000 0.816 147 L CB 0.329 42.605 42.059 0.360 0.000 0.967 147 L HN 0.112 nan 8.230 nan 0.000 0.460 148 V N 0.446 120.538 119.914 0.297 0.000 2.305 148 V HA 0.205 4.325 4.120 -0.000 0.000 0.275 148 V C -0.800 175.431 176.094 0.229 0.000 1.020 148 V CA -0.958 61.481 62.300 0.232 0.000 0.811 148 V CB 0.973 32.910 31.823 0.189 0.000 1.031 148 V HN 0.057 nan 8.190 nan 0.000 0.439 149 D N 4.119 124.632 120.400 0.187 0.000 2.520 149 D HA 0.290 4.930 4.640 -0.000 0.000 0.243 149 D C 1.316 177.714 176.300 0.162 0.000 1.160 149 D CA 2.040 56.132 54.000 0.152 0.000 0.877 149 D CB 1.189 42.067 40.800 0.130 0.000 1.150 149 D HN 0.967 nan 8.370 nan 0.000 0.494 150 G N 2.039 110.894 108.800 0.092 0.000 2.194 150 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.236 150 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.236 150 G C 0.174 175.114 174.900 0.067 0.000 0.987 150 G CA -0.009 45.082 45.100 -0.016 0.000 0.635 150 G HN 0.493 nan 8.290 nan 0.000 0.520 151 L N 2.112 123.497 121.223 0.271 0.000 2.257 151 L HA 0.694 5.034 4.340 -0.000 0.000 0.290 151 L C -0.047 176.988 176.870 0.276 0.000 1.044 151 L CA -0.770 54.291 54.840 0.369 0.000 0.810 151 L CB 0.255 42.527 42.059 0.355 0.000 1.193 151 L HN 0.322 nan 8.230 nan 0.000 0.425 152 N N 4.503 123.342 118.700 0.231 0.000 2.381 152 N HA 0.796 5.536 4.740 -0.000 0.000 0.294 152 N C -1.420 174.251 175.510 0.268 0.000 1.216 152 N CA -0.662 52.476 53.050 0.146 0.000 0.803 152 N CB 1.799 40.300 38.487 0.022 0.000 1.372 152 N HN 0.500 nan 8.380 nan 0.000 0.500 153 F N -1.572 118.409 119.950 0.052 0.000 2.711 153 F HA 0.920 5.446 4.527 -0.000 0.000 0.313 153 F C -1.705 174.109 175.800 0.024 0.000 1.141 153 F CA -1.062 56.982 58.000 0.072 0.000 0.941 153 F CB 1.156 40.240 39.000 0.142 0.000 1.349 153 F HN 0.528 nan 8.300 nan 0.000 0.464 154 A N 1.124 124.098 122.820 0.257 0.000 2.594 154 A HA 0.791 5.111 4.320 -0.000 0.000 0.295 154 A C -2.214 175.548 177.584 0.296 0.000 1.071 154 A CA -0.626 51.493 52.037 0.138 0.000 0.685 154 A CB 1.721 20.747 19.000 0.044 0.000 1.285 154 A HN 1.777 nan 8.150 nan 0.000 0.405 155 V N 0.803 120.900 119.914 0.306 0.000 2.841 155 V HA 0.796 4.916 4.120 -0.000 0.000 0.310 155 V C -0.974 175.195 176.094 0.125 0.000 1.090 155 V CA -0.284 62.136 62.300 0.201 0.000 0.930 155 V CB 1.852 33.830 31.823 0.258 0.000 1.014 155 V HN 1.113 nan 8.190 nan 0.000 0.425 156 Q N 4.018 123.773 119.800 -0.075 0.000 2.331 156 Q HA 0.542 4.882 4.340 -0.000 0.000 0.272 156 Q C -2.286 173.598 176.000 -0.192 0.000 1.062 156 Q CA -0.627 55.188 55.803 0.020 0.000 0.806 156 Q CB 2.369 31.201 28.738 0.157 0.000 1.312 156 Q HN 0.787 nan 8.270 nan 0.000 0.431 157 Y N 2.502 122.979 120.300 0.297 0.000 2.335 157 Y HA 0.448 4.998 4.550 -0.000 0.000 0.338 157 Y C -0.618 175.432 175.900 0.250 0.000 0.977 157 Y CA -0.853 57.415 58.100 0.280 0.000 1.114 157 Y CB 1.556 40.165 38.460 0.249 0.000 1.182 157 Y HN 0.527 nan 8.280 nan 0.000 0.463 158 L N 3.805 125.227 121.223 0.330 0.000 2.280 158 L HA 0.798 5.138 4.340 -0.000 0.000 0.287 158 L C 0.137 177.100 176.870 0.155 0.000 1.023 158 L CA -0.177 54.753 54.840 0.150 0.000 0.819 158 L CB 0.867 42.882 42.059 -0.072 0.000 1.212 158 L HN 0.684 nan 8.230 nan 0.000 0.420 159 G N 3.369 112.251 108.800 0.137 0.000 2.448 159 G HA2 0.244 4.204 3.960 -0.000 0.000 0.285 159 G HA3 0.244 4.204 3.960 -0.000 0.000 0.285 159 G C -0.765 174.163 174.900 0.048 0.000 1.176 159 G CA -0.770 44.403 45.100 0.122 0.000 0.852 159 G HN 0.820 nan 8.290 nan 0.000 0.530 160 K N 0.892 121.320 120.400 0.046 0.000 2.489 160 K HA -0.002 4.318 4.320 -0.000 0.000 0.278 160 K C -0.541 176.051 176.600 -0.013 0.000 1.000 160 K CA 0.234 56.527 56.287 0.011 0.000 1.012 160 K CB 0.162 32.678 32.500 0.028 0.000 0.903 160 K HN 0.429 nan 8.250 nan 0.000 0.485 161 N N 4.364 123.030 118.700 -0.057 0.000 2.664 161 N HA 0.035 4.775 4.740 -0.000 0.000 0.257 161 N C -1.491 173.979 175.510 -0.067 0.000 1.108 161 N CA -0.358 52.652 53.050 -0.066 0.000 0.822 161 N CB 1.556 39.978 38.487 -0.108 0.000 1.199 161 N HN 0.639 nan 8.380 nan 0.000 0.529 162 E N 2.737 122.916 120.200 -0.035 0.000 1.893 162 E HA 0.138 4.487 4.350 -0.000 0.000 0.269 162 E C -0.203 176.381 176.600 -0.026 0.000 1.129 162 E CA -0.201 56.184 56.400 -0.025 0.000 0.904 162 E CB 0.459 30.154 29.700 -0.008 0.000 1.077 162 E HN 0.289 nan 8.360 nan 0.000 0.407 163 R N 2.218 122.696 120.500 -0.036 0.000 2.602 163 R HA 0.210 4.550 4.340 -0.000 0.000 0.237 163 R C 0.661 176.948 176.300 -0.020 0.000 1.219 163 R CA -0.771 55.309 56.100 -0.033 0.000 1.121 163 R CB 0.513 30.784 30.300 -0.050 0.000 1.408 163 R HN 0.456 nan 8.270 nan 0.000 0.559 164 D N 0.180 120.568 120.400 -0.020 0.000 2.264 164 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 164 D C -0.061 176.232 176.300 -0.012 0.000 0.966 164 D CA 1.448 55.439 54.000 -0.014 0.000 0.864 164 D CB 0.365 41.155 40.800 -0.017 0.000 0.933 164 D HN 0.267 nan 8.370 nan 0.000 0.499 165 T N -0.778 113.767 114.554 -0.015 0.000 2.863 165 T HA 0.435 4.785 4.350 -0.000 0.000 0.285 165 T C 0.866 175.572 174.700 0.011 0.000 1.009 165 T CA -0.520 61.574 62.100 -0.012 0.000 0.989 165 T CB 2.237 71.088 68.868 -0.030 0.000 1.004 165 T HN -0.111 nan 8.240 nan 0.000 0.455 166 A N 3.118 125.962 122.820 0.040 0.000 1.902 166 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 166 A C 2.148 179.850 177.584 0.197 0.000 1.181 166 A CA 1.739 53.855 52.037 0.130 0.000 0.623 166 A CB -0.487 18.618 19.000 0.175 0.000 0.818 166 A HN 0.718 nan 8.150 nan 0.000 0.443 167 R N -0.072 120.467 120.500 0.066 0.000 2.117 167 R HA -0.097 4.243 4.340 -0.000 0.000 0.243 167 R C 1.467 177.783 176.300 0.027 0.000 1.143 167 R CA 1.730 57.844 56.100 0.022 0.000 0.968 167 R CB -0.240 29.998 30.300 -0.104 0.000 0.863 167 R HN 0.372 nan 8.270 nan 0.000 0.444 168 R N -0.051 120.433 120.500 -0.026 0.000 2.393 168 R HA 0.310 4.650 4.340 -0.000 0.000 0.244 168 R C -0.099 176.121 176.300 -0.133 0.000 0.920 168 R CA 0.030 56.079 56.100 -0.085 0.000 1.076 168 R CB 0.590 30.841 30.300 -0.081 0.000 1.119 168 R HN 0.074 nan 8.270 nan 0.000 0.524 169 S N 1.846 117.474 115.700 -0.120 0.000 2.730 169 S HA 0.476 4.946 4.470 -0.000 0.000 0.284 169 S C 0.078 174.454 174.600 -0.372 0.000 1.153 169 S CA -0.696 57.402 58.200 -0.170 0.000 0.995 169 S CB 1.553 64.709 63.200 -0.073 0.000 1.058 169 S HN 0.414 nan 8.310 nan 0.000 0.552 170 N N -0.739 117.764 118.700 -0.329 0.000 2.935 170 N HA 0.306 5.046 4.740 -0.000 0.000 0.248 170 N C -0.717 174.729 175.510 -0.107 0.000 1.276 170 N CA -0.901 51.889 53.050 -0.434 0.000 0.906 170 N CB 0.972 38.956 38.487 -0.839 0.000 1.564 170 N HN 0.651 nan 8.380 nan 0.000 0.500 171 G N -0.106 108.737 108.800 0.071 0.000 2.568 171 G HA2 0.353 4.313 3.960 -0.000 0.000 0.293 171 G HA3 0.353 4.313 3.960 -0.000 0.000 0.293 171 G C -0.564 174.398 174.900 0.103 0.000 1.347 171 G CA -0.364 44.784 45.100 0.080 0.000 1.039 171 G HN 0.608 nan 8.290 nan 0.000 0.523 172 D N -0.635 119.831 120.400 0.109 0.000 2.400 172 D HA 0.483 5.123 4.640 -0.000 0.000 0.238 172 D C 0.624 177.043 176.300 0.198 0.000 1.157 172 D CA 1.070 55.156 54.000 0.142 0.000 0.889 172 D CB 1.319 42.200 40.800 0.136 0.000 1.199 172 D HN 0.667 nan 8.370 nan 0.000 0.436 173 G N -1.190 107.767 108.800 0.261 0.000 2.523 173 G HA2 0.511 4.471 3.960 -0.000 0.000 0.291 173 G HA3 0.511 4.471 3.960 -0.000 0.000 0.291 173 G C -1.745 173.413 174.900 0.430 0.000 1.450 173 G CA -0.569 44.753 45.100 0.370 0.000 0.790 173 G HN 0.349 nan 8.290 nan 0.000 0.496 174 V N -0.447 119.662 119.914 0.326 0.000 2.760 174 V HA 0.957 5.076 4.120 -0.000 0.000 0.309 174 V C 0.492 176.436 176.094 -0.250 0.000 1.077 174 V CA 0.139 62.470 62.300 0.052 0.000 0.910 174 V CB 1.739 33.566 31.823 0.006 0.000 1.008 174 V HN 1.544 nan 8.190 nan 0.000 0.424 175 G N 1.176 109.751 108.800 -0.375 0.000 2.690 175 G HA2 0.860 4.820 3.960 -0.000 0.000 0.291 175 G HA3 0.860 4.820 3.960 -0.000 0.000 0.291 175 G C -0.737 174.039 174.900 -0.207 0.000 1.403 175 G CA -0.233 44.522 45.100 -0.576 0.000 0.864 175 G HN 1.188 nan 8.290 nan 0.000 0.480 176 G N -1.046 107.692 108.800 -0.103 0.000 2.677 176 G HA2 0.780 4.740 3.960 -0.000 0.000 0.291 176 G HA3 0.780 4.740 3.960 -0.000 0.000 0.291 176 G C -0.820 174.119 174.900 0.066 0.000 1.435 176 G CA 0.311 45.431 45.100 0.032 0.000 0.826 176 G HN 1.672 nan 8.290 nan 0.000 0.491 177 S N -0.843 114.925 115.700 0.114 0.000 2.546 177 S HA 0.835 5.305 4.470 -0.000 0.000 0.274 177 S C -1.073 173.624 174.600 0.160 0.000 1.121 177 S CA -0.775 57.488 58.200 0.106 0.000 0.887 177 S CB 1.817 65.063 63.200 0.077 0.000 1.094 177 S HN 0.749 nan 8.310 nan 0.000 0.474 178 I N 2.064 122.714 120.570 0.133 0.000 2.619 178 I HA 0.691 4.861 4.170 -0.000 0.000 0.292 178 I C -0.461 175.738 176.117 0.137 0.000 1.100 178 I CA -0.564 60.837 61.300 0.169 0.000 1.043 178 I CB 2.492 40.569 38.000 0.129 0.000 1.239 178 I HN 0.976 nan 8.210 nan 0.000 0.420 179 S N 4.223 120.027 115.700 0.174 0.000 2.579 179 S HA 0.706 5.176 4.470 -0.000 0.000 0.272 179 S C -1.682 173.075 174.600 0.261 0.000 1.141 179 S CA -0.759 57.548 58.200 0.178 0.000 0.843 179 S CB 2.403 65.685 63.200 0.136 0.000 1.122 179 S HN 0.591 nan 8.310 nan 0.000 0.468 180 Y N 0.444 120.816 120.300 0.121 0.000 2.396 180 Y HA 0.573 5.122 4.550 -0.001 0.000 0.332 180 Y C -1.198 174.797 175.900 0.158 0.000 1.034 180 Y CA -0.429 57.745 58.100 0.123 0.000 1.057 180 Y CB 1.753 40.267 38.460 0.090 0.000 1.220 180 Y HN 0.895 nan 8.280 nan 0.000 0.440 181 E N 5.333 125.200 120.200 -0.554 0.000 2.222 181 E HA 0.322 4.672 4.350 -0.000 0.000 0.267 181 E C -2.152 174.197 176.600 -0.418 0.000 0.884 181 E CA -1.073 55.134 56.400 -0.322 0.000 0.764 181 E CB 3.007 32.611 29.700 -0.160 0.000 1.169 181 E HN 0.602 nan 8.360 nan 0.000 0.413 182 Y N 1.730 121.886 120.300 -0.240 0.000 2.287 182 Y HA 0.066 4.615 4.550 -0.001 0.000 0.321 182 Y C -0.575 175.388 175.900 0.106 0.000 1.173 182 Y CA -0.452 57.594 58.100 -0.090 0.000 1.124 182 Y CB 0.953 39.415 38.460 0.003 0.000 1.201 182 Y HN 0.762 nan 8.280 nan 0.000 0.421 183 E N 4.738 124.689 120.200 -0.415 0.000 2.240 183 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 183 E C 1.014 177.580 176.600 -0.057 0.000 1.385 183 E CA 1.357 57.602 56.400 -0.258 0.000 0.686 183 E CB -1.127 28.416 29.700 -0.262 0.000 1.125 183 E HN 1.532 nan 8.360 nan 0.000 0.359 184 G N -0.046 108.636 108.800 -0.195 0.000 2.267 184 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 184 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 184 G C 0.095 174.739 174.900 -0.428 0.000 0.998 184 G CA 0.402 45.250 45.100 -0.420 0.000 0.620 184 G HN 0.361 nan 8.290 nan 0.000 0.529 185 F N 1.024 120.980 119.950 0.010 0.000 2.399 185 F HA 0.646 5.173 4.527 -0.000 0.000 0.328 185 F C 0.964 176.768 175.800 0.007 0.000 1.084 185 F CA 0.266 58.312 58.000 0.076 0.000 1.053 185 F CB 2.056 41.162 39.000 0.177 0.000 1.209 185 F HN 0.328 nan 8.300 nan 0.000 0.502 186 G N 1.959 110.897 108.800 0.230 0.000 2.753 186 G HA2 0.602 4.562 3.960 -0.000 0.000 0.297 186 G HA3 0.602 4.562 3.960 -0.000 0.000 0.297 186 G C -2.223 172.890 174.900 0.355 0.000 1.430 186 G CA -0.516 44.704 45.100 0.200 0.000 1.040 186 G HN 0.705 nan 8.290 nan 0.000 0.530 187 I N 1.863 122.639 120.570 0.344 0.000 2.533 187 I HA 0.723 4.893 4.170 -0.000 0.000 0.290 187 I C -0.896 175.340 176.117 0.200 0.000 1.056 187 I CA -0.947 60.524 61.300 0.285 0.000 1.057 187 I CB 2.112 40.249 38.000 0.229 0.000 1.240 187 I HN 0.395 nan 8.210 nan 0.000 0.423 188 V N 4.370 124.312 119.914 0.048 0.000 3.040 188 V HA 0.958 5.078 4.120 -0.000 0.000 0.312 188 V C 0.025 176.110 176.094 -0.015 0.000 1.115 188 V CA -0.605 61.674 62.300 -0.034 0.000 0.998 188 V CB 1.520 33.188 31.823 -0.258 0.000 1.042 188 V HN 0.870 nan 8.190 nan 0.000 0.433 189 G N 0.353 109.165 108.800 0.019 0.000 2.701 189 G HA2 0.875 4.835 3.960 -0.000 0.000 0.300 189 G HA3 0.875 4.835 3.960 -0.000 0.000 0.300 189 G C -1.120 173.820 174.900 0.066 0.000 1.410 189 G CA -0.240 44.891 45.100 0.052 0.000 1.014 189 G HN 1.398 nan 8.290 nan 0.000 0.509 190 A N 0.962 123.851 122.820 0.115 0.000 2.520 190 A HA 0.821 5.141 4.320 -0.000 0.000 0.298 190 A C -1.991 175.721 177.584 0.213 0.000 1.051 190 A CA -0.670 51.437 52.037 0.116 0.000 0.690 190 A CB 1.781 20.818 19.000 0.062 0.000 1.281 190 A HN 1.643 nan 8.150 nan 0.000 0.402 191 Y N 0.724 121.017 120.300 -0.012 0.000 2.513 191 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 191 Y C -0.099 175.665 175.900 -0.228 0.000 1.055 191 Y CA 0.014 58.102 58.100 -0.020 0.000 1.020 191 Y CB 1.950 40.387 38.460 -0.038 0.000 1.301 191 Y HN 1.179 nan 8.280 nan 0.000 0.453 192 G N 2.321 110.515 108.800 -1.010 0.000 2.667 192 G HA2 0.781 4.741 3.960 -0.000 0.000 0.298 192 G HA3 0.781 4.741 3.960 -0.000 0.000 0.298 192 G C -2.103 172.193 174.900 -1.008 0.000 1.377 192 G CA -0.542 43.771 45.100 -1.312 0.000 0.964 192 G HN 1.070 nan 8.290 nan 0.000 0.493 193 A N -0.223 122.265 122.820 -0.554 0.000 2.455 193 A HA 1.011 5.331 4.320 -0.000 0.000 0.300 193 A C -0.297 177.369 177.584 0.137 0.000 1.040 193 A CA 0.013 51.950 52.037 -0.166 0.000 0.697 193 A CB 1.679 20.642 19.000 -0.061 0.000 1.265 193 A HN 2.275 nan 8.150 nan 0.000 0.407 194 A N 1.611 124.495 122.820 0.105 0.000 2.556 194 A HA 0.762 5.081 4.320 -0.000 0.000 0.294 194 A C -1.122 176.493 177.584 0.051 0.000 1.091 194 A CA -0.696 51.447 52.037 0.177 0.000 0.704 194 A CB 0.888 20.106 19.000 0.363 0.000 1.300 194 A HN 0.709 nan 8.150 nan 0.000 0.406 195 D N 0.884 121.349 120.400 0.108 0.000 2.357 195 D HA 0.330 4.970 4.640 -0.000 0.000 0.242 195 D C 0.008 176.376 176.300 0.114 0.000 1.153 195 D CA 0.357 54.401 54.000 0.073 0.000 0.918 195 D CB 0.549 41.397 40.800 0.080 0.000 1.181 195 D HN 0.422 nan 8.370 nan 0.000 0.435 196 R N -0.058 120.474 120.500 0.053 0.000 2.664 196 R HA 0.408 4.748 4.340 -0.000 0.000 0.286 196 R C 0.315 176.645 176.300 0.049 0.000 0.967 196 R CA -0.709 55.431 56.100 0.067 0.000 0.933 196 R CB 1.394 31.666 30.300 -0.047 0.000 1.146 196 R HN 0.486 nan 8.270 nan 0.000 0.468 197 T N -1.359 113.222 114.554 0.045 0.000 2.816 197 T HA 0.078 4.428 4.350 -0.000 0.000 0.282 197 T C 1.052 175.769 174.700 0.029 0.000 0.993 197 T CA -0.513 61.606 62.100 0.031 0.000 0.994 197 T CB 0.737 69.616 68.868 0.019 0.000 1.025 197 T HN 0.486 nan 8.240 nan 0.000 0.529 198 N N -0.328 118.388 118.700 0.027 0.000 2.069 198 N HA -0.086 4.654 4.740 -0.000 0.000 0.191 198 N C 1.679 177.211 175.510 0.037 0.000 1.031 198 N CA 1.127 54.194 53.050 0.028 0.000 0.852 198 N CB -0.481 38.020 38.487 0.023 0.000 1.018 198 N HN 0.552 nan 8.380 nan 0.000 0.423 199 L N 1.345 122.591 121.223 0.038 0.000 2.079 199 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 199 L C 1.872 178.793 176.870 0.084 0.000 1.081 199 L CA 1.695 56.565 54.840 0.050 0.000 0.752 199 L CB -0.543 41.539 42.059 0.039 0.000 0.896 199 L HN 0.293 nan 8.230 nan 0.000 0.433 200 Q N -0.835 119.021 119.800 0.093 0.000 2.119 200 Q HA -0.206 4.134 4.340 -0.000 0.000 0.201 200 Q C 1.988 178.062 176.000 0.123 0.000 0.972 200 Q CA 1.794 57.686 55.803 0.148 0.000 0.847 200 Q CB -0.151 28.602 28.738 0.025 0.000 0.903 200 Q HN 0.649 nan 8.270 nan 0.000 0.433 201 E N 0.377 120.616 120.200 0.065 0.000 2.274 201 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 201 E C 1.645 178.281 176.600 0.060 0.000 0.996 201 E CA 0.570 57.003 56.400 0.054 0.000 0.840 201 E CB 0.043 29.761 29.700 0.031 0.000 0.772 201 E HN 0.281 nan 8.360 nan 0.000 0.491 202 A N 1.135 123.991 122.820 0.060 0.000 2.209 202 A HA -0.069 4.251 4.320 -0.000 0.000 0.212 202 A C 0.924 178.541 177.584 0.055 0.000 1.158 202 A CA 0.400 52.466 52.037 0.049 0.000 0.742 202 A CB 0.063 19.087 19.000 0.040 0.000 0.790 202 A HN 0.043 nan 8.150 nan 0.000 0.472 203 Q N 0.097 119.947 119.800 0.083 0.000 2.314 203 Q HA 0.188 4.528 4.340 -0.000 0.000 0.258 203 Q C -1.629 174.407 176.000 0.060 0.000 0.954 203 Q CA -2.164 53.684 55.803 0.074 0.000 0.890 203 Q CB 0.376 29.179 28.738 0.109 0.000 1.210 203 Q HN 0.248 nan 8.270 nan 0.000 0.410 204 P HA -0.109 nan 4.420 nan 0.000 0.218 204 P C 0.107 177.426 177.300 0.032 0.000 1.149 204 P CA 1.085 64.202 63.100 0.027 0.000 0.817 204 P CB 0.406 32.115 31.700 0.015 0.000 0.785 205 L N -0.155 121.085 121.223 0.028 0.000 2.276 205 L HA 0.591 4.931 4.340 -0.000 0.000 0.286 205 L C 0.686 177.609 176.870 0.087 0.000 1.061 205 L CA -0.040 54.820 54.840 0.034 0.000 0.807 205 L CB 0.652 42.705 42.059 -0.009 0.000 1.177 205 L HN 0.131 nan 8.230 nan 0.000 0.429 206 G N 2.613 111.463 108.800 0.083 0.000 2.895 206 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 206 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 206 G C -1.257 173.689 174.900 0.077 0.000 1.108 206 G CA -0.776 44.384 45.100 0.100 0.000 0.761 206 G HN 0.804 nan 8.290 nan 0.000 0.611 207 N N 0.576 119.305 118.700 0.049 0.000 2.352 207 N HA 0.867 5.607 4.740 -0.000 0.000 0.291 207 N C 0.035 175.554 175.510 0.014 0.000 1.040 207 N CA 0.980 54.050 53.050 0.032 0.000 0.864 207 N CB 1.936 40.440 38.487 0.029 0.000 1.440 207 N HN 2.084 nan 8.380 nan 0.000 0.483 208 G N 1.725 110.527 108.800 0.003 0.000 2.352 208 G HA2 0.064 4.023 3.960 -0.000 0.000 0.303 208 G HA3 0.064 4.023 3.960 -0.000 0.000 0.303 208 G C -0.494 174.391 174.900 -0.026 0.000 1.593 208 G CA -0.709 44.383 45.100 -0.012 0.000 0.963 208 G HN 0.499 nan 8.290 nan 0.000 0.685 209 K N -0.349 120.038 120.400 -0.021 0.000 2.361 209 K HA 0.210 4.530 4.320 -0.000 0.000 0.196 209 K C 0.821 177.398 176.600 -0.038 0.000 1.039 209 K CA 0.767 57.042 56.287 -0.019 0.000 1.001 209 K CB 0.337 32.837 32.500 -0.001 0.000 0.795 209 K HN 0.303 nan 8.250 nan 0.000 0.495 210 K N 0.301 120.664 120.400 -0.061 0.000 2.422 210 K HA 0.535 4.855 4.320 -0.000 0.000 0.251 210 K C -1.457 175.032 176.600 -0.185 0.000 0.933 210 K CA -0.728 55.503 56.287 -0.093 0.000 0.798 210 K CB 2.279 34.757 32.500 -0.038 0.000 1.238 210 K HN -0.050 nan 8.250 nan 0.000 0.428 211 A N 2.865 125.485 122.820 -0.333 0.000 2.304 211 A HA 0.453 4.773 4.320 -0.000 0.000 0.323 211 A C -0.876 176.488 177.584 -0.366 0.000 1.195 211 A CA -0.531 51.193 52.037 -0.522 0.000 0.826 211 A CB 0.555 18.812 19.000 -1.239 0.000 1.184 211 A HN 0.745 nan 8.150 nan 0.000 0.496 212 E N 1.250 121.306 120.200 -0.240 0.000 2.288 212 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 212 E C -1.297 175.220 176.600 -0.138 0.000 0.885 212 E CA -0.621 55.669 56.400 -0.183 0.000 0.767 212 E CB 2.233 31.922 29.700 -0.019 0.000 1.220 212 E HN 0.703 nan 8.360 nan 0.000 0.427 213 Q N 2.290 121.986 119.800 -0.172 0.000 2.289 213 Q HA 0.453 4.793 4.340 -0.000 0.000 0.270 213 Q C -1.535 174.458 176.000 -0.013 0.000 1.038 213 Q CA -0.897 54.850 55.803 -0.093 0.000 0.812 213 Q CB 2.240 30.980 28.738 0.002 0.000 1.300 213 Q HN 0.578 nan 8.270 nan 0.000 0.427 214 W N 0.764 122.033 121.300 -0.052 0.000 3.167 214 W HA 0.902 5.561 4.660 -0.000 0.000 0.324 214 W C -1.972 174.535 176.519 -0.020 0.000 1.230 214 W CA -1.053 56.300 57.345 0.015 0.000 1.184 214 W CB 0.763 30.340 29.460 0.194 0.000 1.414 214 W HN 0.756 nan 8.180 nan 0.000 0.551 215 A N 1.336 124.325 122.820 0.282 0.000 2.594 215 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 215 A C -1.350 176.371 177.584 0.228 0.000 1.071 215 A CA -0.498 51.589 52.037 0.083 0.000 0.685 215 A CB 1.960 20.917 19.000 -0.071 0.000 1.285 215 A HN 0.488 nan 8.150 nan 0.000 0.405 216 T N 0.051 114.722 114.554 0.195 0.000 2.912 216 T HA 0.803 5.153 4.350 -0.000 0.000 0.288 216 T C 0.029 174.742 174.700 0.021 0.000 1.030 216 T CA 0.077 62.274 62.100 0.161 0.000 1.020 216 T CB 1.871 70.919 68.868 0.300 0.000 1.056 216 T HN 1.530 nan 8.240 nan 0.000 0.480 217 G N 1.583 110.346 108.800 -0.061 0.000 2.719 217 G HA2 0.641 4.601 3.960 -0.000 0.000 0.298 217 G HA3 0.641 4.601 3.960 -0.000 0.000 0.298 217 G C -2.146 172.817 174.900 0.104 0.000 1.411 217 G CA -0.341 44.678 45.100 -0.136 0.000 0.991 217 G HN 0.590 nan 8.290 nan 0.000 0.509 218 L N 1.456 122.861 121.223 0.303 0.000 2.436 218 L HA 0.794 5.134 4.340 -0.000 0.000 0.268 218 L C -0.843 176.200 176.870 0.289 0.000 0.974 218 L CA -0.743 54.296 54.840 0.331 0.000 0.826 218 L CB 1.887 44.069 42.059 0.205 0.000 1.291 218 L HN 0.935 nan 8.230 nan 0.000 0.406 219 K N 3.246 123.730 120.400 0.140 0.000 2.533 219 K HA 0.548 4.868 4.320 -0.000 0.000 0.272 219 K C -2.153 174.357 176.600 -0.149 0.000 0.985 219 K CA -0.879 55.290 56.287 -0.196 0.000 0.876 219 K CB 2.547 34.629 32.500 -0.697 0.000 1.452 219 K HN 0.329 nan 8.250 nan 0.000 0.439 220 Y N 1.300 121.320 120.300 -0.466 0.000 2.329 220 Y HA 0.378 4.928 4.550 0.000 0.000 0.328 220 Y C -1.797 173.769 175.900 -0.557 0.000 0.992 220 Y CA -0.867 56.889 58.100 -0.574 0.000 1.151 220 Y CB 1.959 40.101 38.460 -0.530 0.000 1.150 220 Y HN 0.852 nan 8.280 nan 0.000 0.450 221 D N 5.225 124.962 120.400 -1.104 0.000 2.405 221 D HA 0.670 5.310 4.640 -0.000 0.000 0.264 221 D C -1.491 174.371 176.300 -0.729 0.000 1.240 221 D CA 0.186 53.750 54.000 -0.727 0.000 0.893 221 D CB 0.434 40.988 40.800 -0.411 0.000 1.198 221 D HN 0.818 nan 8.370 nan 0.000 0.514 222 A N 2.307 124.634 122.820 -0.822 0.000 2.567 222 A HA 0.537 4.857 4.320 -0.000 0.000 0.291 222 A C -0.391 177.000 177.584 -0.323 0.000 1.048 222 A CA -0.724 50.993 52.037 -0.533 0.000 0.661 222 A CB 0.635 19.317 19.000 -0.530 0.000 1.288 222 A HN 0.201 nan 8.150 nan 0.000 0.424 223 N N 0.409 119.004 118.700 -0.175 0.000 2.735 223 N HA -0.221 4.519 4.740 -0.000 0.000 0.248 223 N C 0.254 175.694 175.510 -0.117 0.000 1.083 223 N CA 1.528 54.532 53.050 -0.077 0.000 0.703 223 N CB -1.721 36.789 38.487 0.039 0.000 1.005 223 N HN 1.022 nan 8.380 nan 0.000 0.550 224 N N -1.879 116.681 118.700 -0.235 0.000 2.863 224 N HA -0.221 4.519 4.740 -0.000 0.000 0.245 224 N C -0.614 174.623 175.510 -0.454 0.000 1.001 224 N CA 1.441 54.237 53.050 -0.422 0.000 0.901 224 N CB -0.648 37.447 38.487 -0.652 0.000 1.124 224 N HN 0.574 nan 8.380 nan 0.000 0.582 225 I N -0.243 120.226 120.570 -0.168 0.000 2.460 225 I HA 0.406 4.576 4.170 -0.000 0.000 0.298 225 I C -0.561 175.548 176.117 -0.013 0.000 0.989 225 I CA -0.856 60.455 61.300 0.019 0.000 1.173 225 I CB 1.258 39.375 38.000 0.194 0.000 1.338 225 I HN -0.042 nan 8.210 nan 0.000 0.456 226 Y N 6.480 126.736 120.300 -0.073 0.000 2.331 226 Y HA 0.645 5.195 4.550 0.000 0.000 0.326 226 Y C -1.613 174.273 175.900 -0.022 0.000 1.020 226 Y CA -0.606 57.428 58.100 -0.110 0.000 1.136 226 Y CB 1.202 39.580 38.460 -0.137 0.000 1.157 226 Y HN 0.366 nan 8.280 nan 0.000 0.444 227 L N 5.710 126.704 121.223 -0.383 0.000 2.386 227 L HA 1.018 5.358 4.340 -0.000 0.000 0.271 227 L C -0.814 175.846 176.870 -0.351 0.000 0.993 227 L CA -1.089 53.642 54.840 -0.182 0.000 0.819 227 L CB 2.039 44.079 42.059 -0.031 0.000 1.294 227 L HN 0.721 nan 8.230 nan 0.000 0.414 228 A N 2.222 124.965 122.820 -0.129 0.000 2.589 228 A HA 0.943 5.263 4.320 -0.000 0.000 0.296 228 A C -1.566 176.066 177.584 0.080 0.000 1.062 228 A CA -0.308 51.692 52.037 -0.062 0.000 0.686 228 A CB 1.973 20.928 19.000 -0.076 0.000 1.282 228 A HN 0.824 nan 8.150 nan 0.000 0.404 229 A N 1.372 124.269 122.820 0.130 0.000 2.449 229 A HA 0.827 5.146 4.320 -0.000 0.000 0.302 229 A C -0.824 176.840 177.584 0.133 0.000 1.048 229 A CA -0.604 51.507 52.037 0.124 0.000 0.708 229 A CB 1.238 20.306 19.000 0.114 0.000 1.274 229 A HN 0.850 nan 8.150 nan 0.000 0.410 230 N N -0.172 118.584 118.700 0.094 0.000 2.238 230 N HA 0.609 5.349 4.740 -0.000 0.000 0.302 230 N C -1.830 173.736 175.510 0.093 0.000 1.072 230 N CA -0.323 52.760 53.050 0.055 0.000 0.792 230 N CB 2.131 40.605 38.487 -0.021 0.000 1.425 230 N HN 0.657 nan 8.380 nan 0.000 0.478 231 Y N 0.727 121.013 120.300 -0.023 0.000 2.373 231 Y HA 0.704 5.254 4.550 0.000 0.000 0.336 231 Y C -0.575 175.232 175.900 -0.155 0.000 0.979 231 Y CA -0.477 57.593 58.100 -0.052 0.000 1.080 231 Y CB 1.423 39.895 38.460 0.020 0.000 1.190 231 Y HN 0.567 nan 8.280 nan 0.000 0.446 232 G N 4.093 112.203 108.800 -1.151 0.000 2.692 232 G HA2 0.643 4.603 3.960 -0.000 0.000 0.291 232 G HA3 0.643 4.603 3.960 -0.000 0.000 0.291 232 G C -1.927 172.190 174.900 -1.305 0.000 1.423 232 G CA -0.976 43.449 45.100 -1.124 0.000 0.843 232 G HN 0.547 nan 8.290 nan 0.000 0.486 233 E N -0.645 118.759 120.200 -1.328 0.000 2.366 233 E HA 0.608 4.957 4.350 -0.000 0.000 0.278 233 E C -1.042 175.198 176.600 -0.600 0.000 0.923 233 E CA -0.901 54.974 56.400 -0.876 0.000 0.761 233 E CB 2.722 31.987 29.700 -0.725 0.000 1.231 233 E HN 0.688 nan 8.360 nan 0.000 0.443 234 T N -0.375 114.007 114.554 -0.286 0.000 2.903 234 T HA 0.636 4.986 4.350 -0.000 0.000 0.299 234 T C -0.613 174.045 174.700 -0.069 0.000 1.093 234 T CA -1.162 60.848 62.100 -0.150 0.000 1.002 234 T CB 1.649 70.465 68.868 -0.087 0.000 1.127 234 T HN 0.223 nan 8.240 nan 0.000 0.488 235 R N 2.137 122.608 120.500 -0.049 0.000 2.513 235 R HA 0.441 4.781 4.340 -0.000 0.000 0.301 235 R C -0.332 175.923 176.300 -0.074 0.000 0.968 235 R CA -0.747 55.336 56.100 -0.030 0.000 0.872 235 R CB 1.142 31.442 30.300 0.000 0.000 1.177 235 R HN 0.891 nan 8.270 nan 0.000 0.444 236 N N 0.794 119.472 118.700 -0.038 0.000 2.693 236 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 236 N C 0.181 175.590 175.510 -0.169 0.000 1.119 236 N CA 1.421 54.429 53.050 -0.070 0.000 0.717 236 N CB -0.718 37.684 38.487 -0.142 0.000 1.071 236 N HN 0.809 nan 8.380 nan 0.000 0.555 237 A N -1.859 120.937 122.820 -0.040 0.000 2.048 237 A HA 0.199 4.519 4.320 -0.000 0.000 0.197 237 A C 0.752 178.504 177.584 0.281 0.000 1.486 237 A CA 0.531 52.567 52.037 -0.003 0.000 1.029 237 A CB 0.339 19.284 19.000 -0.091 0.000 1.101 237 A HN 0.165 nan 8.150 nan 0.000 0.470 238 T N 4.378 119.043 114.554 0.185 0.000 2.761 238 T HA 0.404 4.754 4.350 -0.000 0.000 0.296 238 T C -2.703 171.977 174.700 -0.033 0.000 0.934 238 T CA -0.848 61.275 62.100 0.038 0.000 1.091 238 T CB 0.999 69.886 68.868 0.031 0.000 0.896 238 T HN 0.235 nan 8.240 nan 0.000 0.515 239 P HA 0.340 nan 4.420 nan 0.000 0.276 239 P C -0.538 176.520 177.300 -0.403 0.000 1.235 239 P CA -0.333 62.457 63.100 -0.517 0.000 0.772 239 P CB 0.447 31.835 31.700 -0.521 0.000 0.871 240 I N -0.983 119.376 120.570 -0.353 0.000 2.969 240 I HA 0.700 4.870 4.170 -0.000 0.000 0.307 240 I C -1.018 174.975 176.117 -0.208 0.000 1.149 240 I CA -0.890 60.280 61.300 -0.218 0.000 1.008 240 I CB 2.604 40.527 38.000 -0.129 0.000 1.232 240 I HN 0.062 nan 8.210 nan 0.000 0.435 241 T N 2.281 116.743 114.554 -0.152 0.000 2.916 241 T HA 0.299 4.649 4.350 -0.000 0.000 0.298 241 T C -0.771 173.861 174.700 -0.114 0.000 1.031 241 T CA -0.463 61.556 62.100 -0.135 0.000 0.993 241 T CB 1.308 70.094 68.868 -0.138 0.000 1.045 241 T HN 0.642 nan 8.240 nan 0.000 0.454 242 N N 2.280 120.926 118.700 -0.089 0.000 2.469 242 N HA 0.205 4.945 4.740 -0.000 0.000 0.239 242 N C 0.902 176.329 175.510 -0.139 0.000 1.053 242 N CA -0.298 52.706 53.050 -0.076 0.000 0.937 242 N CB 0.915 39.408 38.487 0.010 0.000 1.163 242 N HN 0.478 nan 8.380 nan 0.000 0.509 243 K N 2.279 122.499 120.400 -0.299 0.000 2.103 243 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 243 K C 0.997 177.414 176.600 -0.306 0.000 1.048 243 K CA 1.516 57.593 56.287 -0.350 0.000 0.930 243 K CB -0.037 32.184 32.500 -0.465 0.000 0.716 243 K HN 0.400 nan 8.250 nan 0.000 0.444 244 F N 0.563 120.507 119.950 -0.010 0.000 2.051 244 F HA -0.237 4.290 4.527 -0.000 0.000 0.296 244 F C 2.849 178.644 175.800 -0.008 0.000 1.122 244 F CA 1.704 59.700 58.000 -0.007 0.000 1.201 244 F CB -1.533 37.465 39.000 -0.004 0.000 0.978 244 F HN 0.128 nan 8.300 nan 0.000 0.472 245 T N -3.113 111.552 114.554 0.185 0.000 2.951 245 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 245 T C 0.928 175.650 174.700 0.037 0.000 1.073 245 T CA 0.903 63.059 62.100 0.094 0.000 1.134 245 T CB -0.486 68.428 68.868 0.077 0.000 0.884 245 T HN 0.374 nan 8.240 nan 0.000 0.479 246 N N 2.091 120.793 118.700 0.003 0.000 2.776 246 N HA -0.125 4.615 4.740 -0.000 0.000 0.249 246 N C -0.376 175.118 175.510 -0.027 0.000 1.111 246 N CA 1.231 54.265 53.050 -0.027 0.000 0.711 246 N CB -1.782 36.694 38.487 -0.017 0.000 1.065 246 N HN 0.896 nan 8.380 nan 0.000 0.556 247 T N -2.574 111.966 114.554 -0.024 0.000 2.867 247 T HA 0.727 5.077 4.350 -0.000 0.000 0.282 247 T C 0.210 174.876 174.700 -0.056 0.000 1.000 247 T CA -0.437 61.647 62.100 -0.027 0.000 1.042 247 T CB 2.691 71.555 68.868 -0.006 0.000 0.973 247 T HN 0.029 nan 8.240 nan 0.000 0.465 248 S N 0.368 116.025 115.700 -0.072 0.000 2.595 248 S HA 0.980 5.449 4.470 -0.000 0.000 0.281 248 S C 0.084 174.599 174.600 -0.142 0.000 1.117 248 S CA -0.150 57.974 58.200 -0.126 0.000 0.873 248 S CB 1.840 64.950 63.200 -0.150 0.000 1.108 248 S HN 1.416 nan 8.310 nan 0.000 0.477 249 G N 0.666 109.311 108.800 -0.258 0.000 2.441 249 G HA2 0.450 4.410 3.960 -0.000 0.000 0.225 249 G HA3 0.450 4.410 3.960 -0.000 0.000 0.225 249 G C -2.239 172.313 174.900 -0.580 0.000 1.200 249 G CA -0.642 44.275 45.100 -0.305 0.000 0.947 249 G HN 0.460 nan 8.290 nan 0.000 0.484 250 F N 1.196 121.129 119.950 -0.028 0.000 2.522 250 F HA 0.746 5.273 4.527 -0.000 0.000 0.324 250 F C 0.814 176.593 175.800 -0.034 0.000 1.077 250 F CA -0.284 57.694 58.000 -0.037 0.000 0.944 250 F CB 2.295 41.285 39.000 -0.017 0.000 1.175 250 F HN 0.655 nan 8.300 nan 0.000 0.468 251 A N 2.333 125.219 122.820 0.110 0.000 2.409 251 A HA 0.220 4.540 4.320 -0.000 0.000 0.262 251 A C 0.856 178.480 177.584 0.067 0.000 1.113 251 A CA -0.337 51.735 52.037 0.058 0.000 0.790 251 A CB -0.121 18.895 19.000 0.026 0.000 1.046 251 A HN 1.004 nan 8.150 nan 0.000 0.496 252 N N 0.853 119.583 118.700 0.050 0.000 2.061 252 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 252 N C 0.323 175.847 175.510 0.024 0.000 1.030 252 N CA 2.068 55.141 53.050 0.038 0.000 0.856 252 N CB -0.036 38.471 38.487 0.033 0.000 1.023 252 N HN 0.767 nan 8.380 nan 0.000 0.424 253 K N -0.606 119.805 120.400 0.019 0.000 2.532 253 K HA 0.402 4.722 4.320 -0.000 0.000 0.265 253 K C -1.123 175.471 176.600 -0.010 0.000 0.948 253 K CA -0.730 55.560 56.287 0.004 0.000 0.842 253 K CB 1.761 34.270 32.500 0.015 0.000 1.392 253 K HN 0.022 nan 8.250 nan 0.000 0.436 254 T N -1.535 112.992 114.554 -0.046 0.000 2.906 254 T HA 0.480 4.830 4.350 -0.000 0.000 0.295 254 T C -0.857 173.765 174.700 -0.130 0.000 1.075 254 T CA -0.755 61.306 62.100 -0.064 0.000 1.005 254 T CB 1.985 70.819 68.868 -0.055 0.000 1.136 254 T HN 0.511 nan 8.240 nan 0.000 0.498 255 Q N 1.405 121.130 119.800 -0.125 0.000 2.290 255 Q HA 0.420 4.760 4.340 -0.000 0.000 0.269 255 Q C -1.594 174.284 176.000 -0.204 0.000 1.016 255 Q CA -0.836 54.860 55.803 -0.178 0.000 0.754 255 Q CB 1.829 30.571 28.738 0.007 0.000 1.247 255 Q HN 0.664 nan 8.270 nan 0.000 0.451 256 D N 2.084 122.249 120.400 -0.392 0.000 2.505 256 D HA 0.493 5.133 4.640 -0.000 0.000 0.249 256 D C -0.847 175.296 176.300 -0.262 0.000 1.082 256 D CA -0.402 53.421 54.000 -0.294 0.000 0.839 256 D CB 2.588 43.213 40.800 -0.292 0.000 1.317 256 D HN 0.121 nan 8.370 nan 0.000 0.497 257 V N 2.107 121.941 119.914 -0.134 0.000 2.709 257 V HA 0.562 4.682 4.120 -0.000 0.000 0.308 257 V C -0.762 175.254 176.094 -0.130 0.000 1.062 257 V CA -0.749 61.537 62.300 -0.024 0.000 0.901 257 V CB 1.956 33.834 31.823 0.092 0.000 1.003 257 V HN 0.337 nan 8.190 nan 0.000 0.425 258 L N 5.498 126.681 121.223 -0.066 0.000 2.464 258 L HA 0.696 5.036 4.340 -0.000 0.000 0.266 258 L C -0.881 175.997 176.870 0.013 0.000 0.965 258 L CA -0.092 54.690 54.840 -0.096 0.000 0.833 258 L CB 1.979 43.984 42.059 -0.091 0.000 1.296 258 L HN 0.432 nan 8.230 nan 0.000 0.405 259 L N 3.346 124.590 121.223 0.035 0.000 2.401 259 L HA 0.933 5.273 4.340 -0.000 0.000 0.266 259 L C -1.032 175.906 176.870 0.113 0.000 0.991 259 L CA -0.951 53.950 54.840 0.101 0.000 0.818 259 L CB 2.457 44.605 42.059 0.148 0.000 1.321 259 L HN 0.273 nan 8.230 nan 0.000 0.413 260 V N 0.998 120.990 119.914 0.129 0.000 2.888 260 V HA 0.874 4.994 4.120 -0.000 0.000 0.309 260 V C -0.742 175.446 176.094 0.157 0.000 1.114 260 V CA -0.610 61.784 62.300 0.156 0.000 0.940 260 V CB 1.964 33.904 31.823 0.195 0.000 1.021 260 V HN 0.844 nan 8.190 nan 0.000 0.426 261 A N 3.653 126.569 122.820 0.161 0.000 2.402 261 A HA 0.875 5.194 4.320 -0.000 0.000 0.291 261 A C -0.957 176.724 177.584 0.162 0.000 1.051 261 A CA -0.510 51.616 52.037 0.149 0.000 0.716 261 A CB 1.701 20.772 19.000 0.117 0.000 1.223 261 A HN 0.792 nan 8.150 nan 0.000 0.425 262 Q N 0.178 120.086 119.800 0.179 0.000 2.495 262 Q HA 0.615 4.955 4.340 -0.000 0.000 0.287 262 Q C -2.010 174.084 176.000 0.157 0.000 1.078 262 Q CA -0.744 55.150 55.803 0.151 0.000 0.793 262 Q CB 3.003 31.804 28.738 0.105 0.000 1.459 262 Q HN 0.741 nan 8.270 nan 0.000 0.422 263 Y N 0.754 121.025 120.300 -0.047 0.000 2.433 263 Y HA 0.310 4.860 4.550 -0.000 0.000 0.337 263 Y C -1.476 174.275 175.900 -0.248 0.000 1.026 263 Y CA -0.650 57.342 58.100 -0.180 0.000 1.037 263 Y CB 2.146 40.434 38.460 -0.288 0.000 1.245 263 Y HN 0.558 nan 8.280 nan 0.000 0.443 264 Q N 5.427 124.660 119.800 -0.945 0.000 2.400 264 Q HA 0.418 4.758 4.340 -0.000 0.000 0.255 264 Q C -1.814 173.722 176.000 -0.773 0.000 1.008 264 Q CA -0.239 55.186 55.803 -0.630 0.000 0.841 264 Q CB 0.239 28.708 28.738 -0.449 0.000 1.220 264 Q HN 0.559 nan 8.270 nan 0.000 0.474 265 F N 1.718 121.438 119.950 -0.384 0.000 2.444 265 F HA 0.101 4.628 4.527 -0.000 0.000 0.331 265 F C 1.312 176.861 175.800 -0.419 0.000 1.167 265 F CA 0.039 57.796 58.000 -0.404 0.000 1.262 265 F CB 0.763 39.216 39.000 -0.912 0.000 1.196 265 F HN 0.602 nan 8.300 nan 0.000 0.583 266 D N 1.101 121.483 120.400 -0.030 0.000 2.219 266 D HA -0.168 4.472 4.640 -0.000 0.000 0.205 266 D C 1.857 178.185 176.300 0.046 0.000 0.970 266 D CA 1.351 55.353 54.000 0.004 0.000 0.851 266 D CB -0.279 40.576 40.800 0.093 0.000 0.943 266 D HN 0.504 nan 8.370 nan 0.000 0.488 267 F N -1.676 118.364 119.950 0.151 0.000 2.748 267 F HA 0.360 4.887 4.527 -0.000 0.000 0.299 267 F C 1.571 177.421 175.800 0.082 0.000 1.154 267 F CA 0.526 58.600 58.000 0.124 0.000 1.446 267 F CB 0.020 39.101 39.000 0.134 0.000 1.112 267 F HN -0.017 nan 8.300 nan 0.000 0.584 268 G N 0.541 109.223 108.800 -0.197 0.000 2.480 268 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.193 268 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.193 268 G C -0.379 174.326 174.900 -0.325 0.000 1.004 268 G CA -0.199 44.682 45.100 -0.365 0.000 0.696 268 G HN 0.394 nan 8.290 nan 0.000 0.478 269 L N 1.729 122.846 121.223 -0.176 0.000 2.326 269 L HA 0.823 5.163 4.340 -0.000 0.000 0.278 269 L C 0.488 177.452 176.870 0.157 0.000 1.092 269 L CA -0.517 54.388 54.840 0.109 0.000 0.810 269 L CB 1.033 43.251 42.059 0.266 0.000 1.153 269 L HN 0.229 nan 8.230 nan 0.000 0.439 270 R N 6.611 127.208 120.500 0.162 0.000 2.576 270 R HA 0.448 4.787 4.340 -0.000 0.000 0.283 270 R C -2.736 173.656 176.300 0.154 0.000 1.493 270 R CA -1.681 54.503 56.100 0.140 0.000 1.170 270 R CB 1.062 31.445 30.300 0.138 0.000 1.189 270 R HN 0.462 nan 8.270 nan 0.000 0.542 271 P HA 0.057 nan 4.420 nan 0.000 0.272 271 P C -0.895 176.498 177.300 0.155 0.000 1.230 271 P CA -0.115 63.106 63.100 0.201 0.000 0.788 271 P CB 1.569 33.426 31.700 0.262 0.000 0.949 272 S N 1.615 117.401 115.700 0.143 0.000 2.540 272 S HA 0.681 5.151 4.470 -0.000 0.000 0.275 272 S C -1.415 173.272 174.600 0.145 0.000 1.123 272 S CA -0.673 57.605 58.200 0.130 0.000 0.907 272 S CB 0.512 63.772 63.200 0.099 0.000 1.081 272 S HN 0.178 nan 8.310 nan 0.000 0.476 273 I N 2.871 123.531 120.570 0.151 0.000 2.619 273 I HA 0.812 4.982 4.170 -0.000 0.000 0.292 273 I C 0.011 176.239 176.117 0.184 0.000 1.100 273 I CA -0.457 60.944 61.300 0.170 0.000 1.043 273 I CB 1.262 39.357 38.000 0.158 0.000 1.239 273 I HN 0.931 nan 8.210 nan 0.000 0.420 274 A N 5.373 128.324 122.820 0.219 0.000 2.594 274 A HA 0.826 5.146 4.320 -0.000 0.000 0.291 274 A C -2.286 175.435 177.584 0.227 0.000 1.105 274 A CA -0.517 51.641 52.037 0.202 0.000 0.694 274 A CB 2.337 21.445 19.000 0.180 0.000 1.291 274 A HN 0.596 nan 8.150 nan 0.000 0.410 275 Y N 0.188 120.447 120.300 -0.068 0.000 2.433 275 Y HA 0.675 5.225 4.550 -0.000 0.000 0.337 275 Y C -0.829 174.833 175.900 -0.397 0.000 1.026 275 Y CA -0.252 57.654 58.100 -0.323 0.000 1.037 275 Y CB 2.232 40.485 38.460 -0.346 0.000 1.245 275 Y HN 0.710 nan 8.280 nan 0.000 0.443 276 T N 6.560 120.255 114.554 -1.433 0.000 2.916 276 T HA 0.504 4.854 4.350 -0.000 0.000 0.298 276 T C -1.649 172.282 174.700 -1.282 0.000 1.031 276 T CA -0.988 60.372 62.100 -1.234 0.000 0.993 276 T CB 1.639 69.828 68.868 -1.131 0.000 1.045 276 T HN 0.593 nan 8.240 nan 0.000 0.454 277 K N 1.434 121.348 120.400 -0.811 0.000 2.565 277 K HA 0.592 4.912 4.320 -0.000 0.000 0.251 277 K C -1.608 174.829 176.600 -0.272 0.000 0.956 277 K CA -0.515 55.468 56.287 -0.506 0.000 0.809 277 K CB 1.748 34.011 32.500 -0.394 0.000 1.267 277 K HN 0.583 nan 8.250 nan 0.000 0.438 278 S N 3.973 119.565 115.700 -0.180 0.000 2.647 278 S HA 0.471 4.941 4.470 -0.000 0.000 0.300 278 S C -1.732 172.834 174.600 -0.057 0.000 1.129 278 S CA -0.844 57.292 58.200 -0.107 0.000 1.029 278 S CB 0.562 63.719 63.200 -0.072 0.000 1.007 278 S HN 0.608 nan 8.310 nan 0.000 0.484 279 K N 2.875 123.250 120.400 -0.043 0.000 2.345 279 K HA 0.837 5.156 4.320 -0.000 0.000 0.255 279 K C -0.495 176.100 176.600 -0.009 0.000 0.934 279 K CA -0.949 55.329 56.287 -0.014 0.000 0.801 279 K CB 1.840 34.339 32.500 -0.001 0.000 1.137 279 K HN 0.469 nan 8.250 nan 0.000 0.424 280 A N 3.206 126.028 122.820 0.003 0.000 2.316 280 A HA 0.460 4.780 4.320 -0.000 0.000 0.284 280 A C -0.835 176.757 177.584 0.013 0.000 1.115 280 A CA -0.629 51.411 52.037 0.006 0.000 0.812 280 A CB 0.449 19.454 19.000 0.009 0.000 1.064 280 A HN 0.791 nan 8.150 nan 0.000 0.489 281 K N 0.817 121.226 120.400 0.016 0.000 2.422 281 K HA 0.479 4.799 4.320 -0.000 0.000 0.251 281 K C -1.257 175.357 176.600 0.024 0.000 0.933 281 K CA -0.747 55.553 56.287 0.022 0.000 0.798 281 K CB 1.638 34.153 32.500 0.025 0.000 1.238 281 K HN 0.628 nan 8.250 nan 0.000 0.428 282 D N 0.090 120.505 120.400 0.025 0.000 2.907 282 D HA -0.133 4.507 4.640 -0.000 0.000 0.226 282 D C -0.558 175.757 176.300 0.027 0.000 1.141 282 D CA 0.624 54.639 54.000 0.026 0.000 0.779 282 D CB -1.473 39.343 40.800 0.027 0.000 1.095 282 D HN 0.141 nan 8.370 nan 0.000 0.430 283 V N 1.833 121.762 119.914 0.026 0.000 2.521 283 V HA -0.010 4.110 4.120 -0.000 0.000 0.286 283 V C 1.138 177.248 176.094 0.026 0.000 1.034 283 V CA -0.389 61.926 62.300 0.026 0.000 1.045 283 V CB 0.961 32.798 31.823 0.023 0.000 0.974 283 V HN 0.075 nan 8.190 nan 0.000 0.480 284 E N 4.585 124.801 120.200 0.027 0.000 2.752 284 E HA 0.054 4.404 4.350 -0.000 0.000 0.241 284 E C 1.240 177.855 176.600 0.026 0.000 1.016 284 E CA 0.768 57.183 56.400 0.026 0.000 0.952 284 E CB -0.460 29.256 29.700 0.026 0.000 0.921 284 E HN 1.104 nan 8.360 nan 0.000 0.515 285 G N 2.792 111.606 108.800 0.024 0.000 2.225 285 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 285 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 285 G C 0.715 175.630 174.900 0.026 0.000 0.988 285 G CA 0.302 45.416 45.100 0.023 0.000 0.625 285 G HN 0.516 nan 8.290 nan 0.000 0.527 286 I N 0.344 120.932 120.570 0.030 0.000 3.883 286 I HA 0.522 4.692 4.170 -0.000 0.000 0.305 286 I C 1.958 178.093 176.117 0.029 0.000 1.247 286 I CA 1.800 63.120 61.300 0.034 0.000 1.350 286 I CB 0.517 38.544 38.000 0.045 0.000 1.194 286 I HN 1.158 nan 8.210 nan 0.000 0.441 287 G N 0.714 109.530 108.800 0.027 0.000 2.496 287 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.243 287 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.243 287 G C -0.830 174.086 174.900 0.027 0.000 1.176 287 G CA -0.217 44.898 45.100 0.025 0.000 0.940 287 G HN 0.181 nan 8.290 nan 0.000 0.573 288 D N 0.406 120.822 120.400 0.027 0.000 2.225 288 D HA 0.610 5.249 4.640 -0.000 0.000 0.248 288 D C -0.062 176.256 176.300 0.029 0.000 1.096 288 D CA 0.497 54.513 54.000 0.027 0.000 0.863 288 D CB 1.877 42.692 40.800 0.026 0.000 1.156 288 D HN 0.969 nan 8.370 nan 0.000 0.450 289 V N 1.896 121.826 119.914 0.028 0.000 2.969 289 V HA 0.235 4.355 4.120 -0.000 0.000 0.304 289 V C -1.541 174.567 176.094 0.024 0.000 1.192 289 V CA -0.860 61.459 62.300 0.031 0.000 0.962 289 V CB 2.457 34.304 31.823 0.039 0.000 1.045 289 V HN 0.332 nan 8.190 nan 0.000 0.428 290 D N 4.287 124.703 120.400 0.026 0.000 2.350 290 D HA 0.385 5.025 4.640 -0.000 0.000 0.249 290 D C 0.795 177.107 176.300 0.020 0.000 1.119 290 D CA 0.127 54.137 54.000 0.016 0.000 0.886 290 D CB 1.929 42.739 40.800 0.017 0.000 1.195 290 D HN 0.499 nan 8.370 nan 0.000 0.437 291 L N 0.928 122.159 121.223 0.013 0.000 2.362 291 L HA 0.194 4.533 4.340 -0.000 0.000 0.204 291 L C 0.261 177.158 176.870 0.046 0.000 1.060 291 L CA 0.363 55.221 54.840 0.029 0.000 0.827 291 L CB 0.358 42.441 42.059 0.039 0.000 1.027 291 L HN 0.120 nan 8.230 nan 0.000 0.474 292 V N 0.214 120.139 119.914 0.018 0.000 2.760 292 V HA 0.489 4.609 4.120 -0.000 0.000 0.309 292 V C -1.206 174.829 176.094 -0.098 0.000 1.077 292 V CA -0.647 61.668 62.300 0.024 0.000 0.910 292 V CB 1.970 33.798 31.823 0.008 0.000 1.008 292 V HN 0.251 nan 8.190 nan 0.000 0.424 293 N N 3.551 122.198 118.700 -0.088 0.000 3.261 293 N HA 0.334 5.074 4.740 -0.000 0.000 0.227 293 N C -1.543 173.893 175.510 -0.124 0.000 1.338 293 N CA -0.369 52.553 53.050 -0.214 0.000 0.833 293 N CB 1.234 39.673 38.487 -0.080 0.000 1.606 293 N HN 0.714 nan 8.380 nan 0.000 0.649 294 Y N 0.609 120.723 120.300 -0.310 0.000 2.705 294 Y HA 0.760 5.310 4.550 -0.000 0.000 0.332 294 Y C -1.740 173.976 175.900 -0.306 0.000 1.221 294 Y CA -1.360 56.588 58.100 -0.254 0.000 1.059 294 Y CB 0.903 39.145 38.460 -0.365 0.000 1.298 294 Y HN 0.055 nan 8.280 nan 0.000 0.459 295 F N 1.283 121.381 119.950 0.246 0.000 2.508 295 F HA 0.521 5.048 4.527 -0.000 0.000 0.325 295 F C -0.059 175.827 175.800 0.143 0.000 1.090 295 F CA -0.654 57.471 58.000 0.209 0.000 0.945 295 F CB 2.023 41.082 39.000 0.099 0.000 1.156 295 F HN 0.593 nan 8.300 nan 0.000 0.463 296 E N 2.580 122.987 120.200 0.344 0.000 2.256 296 E HA 0.668 5.018 4.350 -0.000 0.000 0.267 296 E C -1.956 174.741 176.600 0.162 0.000 0.892 296 E CA -0.552 55.939 56.400 0.151 0.000 0.775 296 E CB 2.431 32.232 29.700 0.168 0.000 1.207 296 E HN 0.440 nan 8.360 nan 0.000 0.420 297 V N 2.162 122.153 119.914 0.128 0.000 2.686 297 V HA 0.811 4.931 4.120 -0.000 0.000 0.306 297 V C 0.122 176.337 176.094 0.202 0.000 1.065 297 V CA -0.178 62.226 62.300 0.174 0.000 0.894 297 V CB 1.738 33.678 31.823 0.195 0.000 1.004 297 V HN 0.817 nan 8.190 nan 0.000 0.424 298 G N 2.412 111.318 108.800 0.176 0.000 2.550 298 G HA2 0.928 4.888 3.960 -0.000 0.000 0.293 298 G HA3 0.928 4.888 3.960 -0.000 0.000 0.293 298 G C -1.576 173.414 174.900 0.150 0.000 1.402 298 G CA 0.002 45.205 45.100 0.173 0.000 0.784 298 G HN 1.335 nan 8.290 nan 0.000 0.482 299 A N -0.695 122.213 122.820 0.147 0.000 2.589 299 A HA 0.872 5.191 4.320 -0.000 0.000 0.296 299 A C -0.630 177.024 177.584 0.117 0.000 1.062 299 A CA -0.421 51.697 52.037 0.134 0.000 0.686 299 A CB 1.687 20.777 19.000 0.151 0.000 1.282 299 A HN 1.068 nan 8.150 nan 0.000 0.404 300 T N 1.159 115.741 114.554 0.047 0.000 2.829 300 T HA 0.561 4.911 4.350 -0.000 0.000 0.280 300 T C -1.423 173.197 174.700 -0.134 0.000 0.999 300 T CA -0.045 62.005 62.100 -0.082 0.000 0.983 300 T CB 0.989 69.669 68.868 -0.312 0.000 0.968 300 T HN 0.531 nan 8.240 nan 0.000 0.446 301 Y N 2.504 122.632 120.300 -0.286 0.000 2.328 301 Y HA 0.489 5.039 4.550 -0.000 0.000 0.333 301 Y C -1.446 174.186 175.900 -0.447 0.000 0.958 301 Y CA -1.143 56.769 58.100 -0.314 0.000 1.167 301 Y CB 0.729 39.006 38.460 -0.305 0.000 1.151 301 Y HN 0.613 nan 8.280 nan 0.000 0.470 302 Y N 7.267 127.116 120.300 -0.752 0.000 2.518 302 Y HA 0.192 4.742 4.550 -0.000 0.000 0.344 302 Y C 0.279 175.823 175.900 -0.593 0.000 0.982 302 Y CA -0.459 57.363 58.100 -0.464 0.000 1.234 302 Y CB 0.125 38.399 38.460 -0.311 0.000 1.114 302 Y HN 0.714 nan 8.280 nan 0.000 0.515 303 F N 1.194 121.126 119.950 -0.031 0.000 2.186 303 F HA -0.173 4.354 4.527 0.000 0.000 0.299 303 F C 0.919 176.758 175.800 0.065 0.000 1.090 303 F CA 1.104 59.159 58.000 0.092 0.000 1.307 303 F CB -0.061 39.054 39.000 0.191 0.000 1.019 303 F HN 0.561 nan 8.300 nan 0.000 0.489 304 N N -1.884 116.966 118.700 0.249 0.000 3.547 304 N HA 0.086 4.826 4.740 -0.000 0.000 0.347 304 N C -0.229 175.348 175.510 0.111 0.000 1.533 304 N CA -0.736 52.397 53.050 0.139 0.000 0.848 304 N CB 0.229 38.799 38.487 0.138 0.000 2.112 304 N HN -0.195 nan 8.380 nan 0.000 0.527 305 K N -0.513 119.917 120.400 0.050 0.000 2.366 305 K HA 0.174 4.494 4.320 -0.000 0.000 0.198 305 K C 0.371 176.985 176.600 0.022 0.000 1.044 305 K CA 1.134 57.427 56.287 0.010 0.000 0.973 305 K CB -0.298 32.191 32.500 -0.019 0.000 0.767 305 K HN 0.423 nan 8.250 nan 0.000 0.475 306 N N -0.384 118.337 118.700 0.035 0.000 2.368 306 N HA 0.077 4.817 4.740 -0.000 0.000 0.178 306 N C -0.292 175.195 175.510 -0.038 0.000 1.076 306 N CA 0.111 53.120 53.050 -0.069 0.000 0.889 306 N CB 0.457 38.919 38.487 -0.042 0.000 1.040 306 N HN -0.028 nan 8.380 nan 0.000 0.463 307 M N 0.528 120.213 119.600 0.142 0.000 2.393 307 M HA 0.437 4.917 4.480 -0.000 0.000 0.299 307 M C -1.476 175.050 176.300 0.378 0.000 1.103 307 M CA -0.519 54.920 55.300 0.232 0.000 0.910 307 M CB 1.873 34.599 32.600 0.209 0.000 1.659 307 M HN 0.059 nan 8.290 nan 0.000 0.445 308 S N 1.489 117.389 115.700 0.332 0.000 2.656 308 S HA 0.950 5.420 4.470 -0.000 0.000 0.273 308 S C -1.130 173.627 174.600 0.260 0.000 1.168 308 S CA -0.750 57.614 58.200 0.274 0.000 0.817 308 S CB 2.090 65.286 63.200 -0.007 0.000 1.146 308 S HN 0.665 nan 8.310 nan 0.000 0.475 309 T N 1.459 116.117 114.554 0.174 0.000 2.900 309 T HA 0.777 5.127 4.350 -0.000 0.000 0.303 309 T C -1.813 172.933 174.700 0.077 0.000 1.142 309 T CA -0.613 61.541 62.100 0.090 0.000 1.007 309 T CB 1.224 70.209 68.868 0.195 0.000 1.156 309 T HN 0.992 nan 8.240 nan 0.000 0.490 310 Y N -1.486 118.839 120.300 0.042 0.000 2.638 310 Y HA 0.848 5.397 4.550 -0.000 0.000 0.335 310 Y C -1.784 174.158 175.900 0.071 0.000 1.155 310 Y CA -1.449 56.666 58.100 0.024 0.000 1.046 310 Y CB 0.735 39.185 38.460 -0.016 0.000 1.303 310 Y HN 0.418 nan 8.280 nan 0.000 0.460 311 V N 1.935 122.050 119.914 0.335 0.000 2.577 311 V HA 0.458 4.578 4.120 -0.000 0.000 0.303 311 V C -1.488 174.791 176.094 0.309 0.000 1.042 311 V CA -0.447 62.022 62.300 0.281 0.000 0.872 311 V CB 1.679 33.605 31.823 0.171 0.000 0.998 311 V HN 0.825 nan 8.190 nan 0.000 0.423 312 D N 2.792 123.394 120.400 0.337 0.000 2.629 312 D HA 0.414 5.054 4.640 -0.000 0.000 0.250 312 D C -1.761 174.783 176.300 0.407 0.000 1.126 312 D CA -0.242 53.939 54.000 0.302 0.000 0.852 312 D CB 1.772 42.680 40.800 0.181 0.000 1.335 312 D HN 0.420 nan 8.370 nan 0.000 0.518 313 Y N 4.961 125.356 120.300 0.158 0.000 2.350 313 Y HA 0.468 5.018 4.550 -0.000 0.000 0.338 313 Y C -1.323 174.556 175.900 -0.036 0.000 0.961 313 Y CA -1.298 56.852 58.100 0.083 0.000 1.100 313 Y CB 0.839 39.345 38.460 0.078 0.000 1.179 313 Y HN 0.240 nan 8.280 nan 0.000 0.454 314 I N 8.498 128.826 120.570 -0.404 0.000 2.307 314 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 314 I C -0.210 175.484 176.117 -0.706 0.000 1.021 314 I CA -0.553 60.310 61.300 -0.729 0.000 1.224 314 I CB 0.915 38.208 38.000 -1.179 0.000 1.376 314 I HN 0.623 nan 8.210 nan 0.000 0.470 315 I N 5.838 126.047 120.570 -0.601 0.000 2.241 315 I HA 0.101 4.271 4.170 -0.000 0.000 0.294 315 I C 0.689 176.761 176.117 -0.076 0.000 1.145 315 I CA -0.276 60.820 61.300 -0.340 0.000 1.261 315 I CB -0.242 37.628 38.000 -0.217 0.000 1.475 315 I HN 0.460 nan 8.210 nan 0.000 0.533 316 N N 4.813 123.457 118.700 -0.093 0.000 2.483 316 N HA 0.030 4.770 4.740 -0.000 0.000 0.264 316 N C 0.593 176.148 175.510 0.076 0.000 1.197 316 N CA 0.332 53.381 53.050 -0.003 0.000 0.927 316 N CB 0.990 39.468 38.487 -0.015 0.000 1.065 316 N HN 0.405 nan 8.380 nan 0.000 0.461 317 Q N 2.448 122.310 119.800 0.104 0.000 2.247 317 Q HA 0.210 4.550 4.340 -0.000 0.000 0.211 317 Q C 0.008 176.058 176.000 0.084 0.000 0.861 317 Q CA -0.354 55.517 55.803 0.113 0.000 0.949 317 Q CB 0.657 29.485 28.738 0.149 0.000 1.115 317 Q HN 0.565 nan 8.270 nan 0.000 0.507 318 I N 3.639 124.255 120.570 0.077 0.000 2.775 318 I HA -0.120 4.050 4.170 -0.000 0.000 0.290 318 I C 0.616 176.775 176.117 0.069 0.000 1.203 318 I CA 0.170 61.512 61.300 0.070 0.000 1.433 318 I CB -0.008 38.038 38.000 0.077 0.000 1.354 318 I HN 0.196 nan 8.210 nan 0.000 0.579 319 D N 3.067 123.507 120.400 0.066 0.000 2.329 319 D HA 0.144 4.784 4.640 -0.000 0.000 0.246 319 D C 0.956 177.298 176.300 0.070 0.000 1.111 319 D CA -0.543 53.496 54.000 0.064 0.000 0.941 319 D CB 0.621 41.456 40.800 0.059 0.000 1.169 319 D HN 0.485 nan 8.370 nan 0.000 0.441 320 S N -0.121 115.620 115.700 0.068 0.000 2.474 320 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 320 S C 0.671 175.325 174.600 0.091 0.000 0.997 320 S CA 0.458 58.703 58.200 0.075 0.000 0.949 320 S CB -0.205 63.033 63.200 0.064 0.000 0.766 320 S HN 0.546 nan 8.310 nan 0.000 0.517 321 D N 1.688 122.136 120.400 0.081 0.000 2.340 321 D HA 0.090 4.730 4.640 -0.000 0.000 0.217 321 D C 0.181 176.546 176.300 0.109 0.000 1.081 321 D CA -0.110 53.939 54.000 0.083 0.000 0.842 321 D CB -0.381 40.447 40.800 0.046 0.000 0.934 321 D HN 0.390 nan 8.370 nan 0.000 0.511 322 N N 2.261 121.031 118.700 0.116 0.000 2.217 322 N HA -0.147 4.592 4.740 -0.000 0.000 0.268 322 N C 1.041 176.667 175.510 0.193 0.000 1.290 322 N CA 0.182 53.303 53.050 0.118 0.000 0.831 322 N CB 0.847 39.389 38.487 0.091 0.000 1.057 322 N HN -0.228 nan 8.380 nan 0.000 0.481 323 K N 3.917 124.417 120.400 0.167 0.000 2.360 323 K HA -0.032 4.288 4.320 -0.000 0.000 0.201 323 K C 1.349 178.154 176.600 0.341 0.000 1.046 323 K CA 0.884 57.309 56.287 0.230 0.000 0.945 323 K CB -0.036 32.536 32.500 0.120 0.000 0.750 323 K HN 0.613 nan 8.250 nan 0.000 0.464 324 L N -1.193 120.134 121.223 0.174 0.000 2.585 324 L HA 0.183 4.523 4.340 -0.000 0.000 0.226 324 L C 0.972 177.710 176.870 -0.220 0.000 1.113 324 L CA 0.367 55.231 54.840 0.040 0.000 0.876 324 L CB 0.108 42.163 42.059 -0.006 0.000 1.072 324 L HN 0.325 nan 8.230 nan 0.000 0.468 325 G N 0.234 108.919 108.800 -0.192 0.000 2.141 325 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 325 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 325 G C 0.206 175.000 174.900 -0.177 0.000 0.984 325 G CA -0.140 44.705 45.100 -0.426 0.000 0.660 325 G HN 0.045 nan 8.290 nan 0.000 0.525 326 V N 1.535 121.405 119.914 -0.073 0.000 2.493 326 V HA 0.441 4.561 4.120 -0.000 0.000 0.292 326 V C 1.745 177.838 176.094 -0.001 0.000 1.016 326 V CA 0.491 62.771 62.300 -0.033 0.000 1.097 326 V CB 0.688 32.513 31.823 0.004 0.000 0.947 326 V HN 0.907 nan 8.190 nan 0.000 0.479 327 G N 3.999 112.796 108.800 -0.005 0.000 2.368 327 G HA2 0.197 4.157 3.960 -0.000 0.000 0.233 327 G HA3 0.197 4.157 3.960 -0.000 0.000 0.233 327 G C 0.905 175.839 174.900 0.056 0.000 1.267 327 G CA 0.285 45.398 45.100 0.021 0.000 0.873 327 G HN 1.063 nan 8.290 nan 0.000 0.539 328 S N 0.268 116.005 115.700 0.060 0.000 2.540 328 S HA 0.145 4.615 4.470 -0.000 0.000 0.222 328 S C 0.212 174.852 174.600 0.067 0.000 1.008 328 S CA -0.344 57.897 58.200 0.068 0.000 0.939 328 S CB 0.474 63.714 63.200 0.067 0.000 0.865 328 S HN 0.485 nan 8.310 nan 0.000 0.499 329 D N 2.948 123.388 120.400 0.067 0.000 2.313 329 D HA 0.360 5.000 4.640 -0.000 0.000 0.247 329 D C -0.426 175.914 176.300 0.065 0.000 1.094 329 D CA -0.090 53.952 54.000 0.070 0.000 0.925 329 D CB 0.635 41.480 40.800 0.075 0.000 1.188 329 D HN 0.152 nan 8.370 nan 0.000 0.430 330 D N -0.033 120.410 120.400 0.070 0.000 2.361 330 D HA 0.284 4.924 4.640 -0.000 0.000 0.239 330 D C -0.114 176.238 176.300 0.087 0.000 1.200 330 D CA 0.413 54.446 54.000 0.055 0.000 0.915 330 D CB 0.644 41.545 40.800 0.170 0.000 1.170 330 D HN 0.075 nan 8.370 nan 0.000 0.444 331 T N -0.085 114.495 114.554 0.043 0.000 2.952 331 T HA 0.481 4.831 4.350 -0.000 0.000 0.305 331 T C -0.789 174.040 174.700 0.215 0.000 1.064 331 T CA -0.662 61.487 62.100 0.081 0.000 1.008 331 T CB 1.542 70.361 68.868 -0.081 0.000 1.078 331 T HN 0.014 nan 8.240 nan 0.000 0.459 332 V N 1.965 122.075 119.914 0.327 0.000 2.487 332 V HA 0.866 4.986 4.120 -0.000 0.000 0.298 332 V C -0.088 176.281 176.094 0.458 0.000 1.028 332 V CA -0.896 61.644 62.300 0.400 0.000 0.860 332 V CB 1.478 33.463 31.823 0.270 0.000 0.991 332 V HN 1.110 nan 8.190 nan 0.000 0.427 333 A N 4.306 127.393 122.820 0.444 0.000 2.342 333 A HA 0.922 5.242 4.320 -0.000 0.000 0.323 333 A C -0.930 176.893 177.584 0.398 0.000 1.125 333 A CA -0.600 51.685 52.037 0.414 0.000 0.785 333 A CB 1.748 20.854 19.000 0.177 0.000 1.221 333 A HN 0.686 nan 8.150 nan 0.000 0.463 334 V N 1.216 121.350 119.914 0.368 0.000 2.588 334 V HA 0.817 4.937 4.120 -0.000 0.000 0.304 334 V C 0.458 176.529 176.094 -0.038 0.000 1.042 334 V CA 0.051 62.466 62.300 0.192 0.000 0.877 334 V CB 2.025 34.011 31.823 0.273 0.000 0.996 334 V HN 1.330 nan 8.190 nan 0.000 0.425 335 G N 3.417 111.940 108.800 -0.461 0.000 2.682 335 G HA2 0.742 4.702 3.960 -0.000 0.000 0.300 335 G HA3 0.742 4.702 3.960 -0.000 0.000 0.300 335 G C -1.766 172.831 174.900 -0.504 0.000 1.391 335 G CA -0.538 44.152 45.100 -0.684 0.000 0.990 335 G HN 0.765 nan 8.290 nan 0.000 0.501 336 I N 1.842 122.271 120.570 -0.236 0.000 2.418 336 I HA 0.663 4.833 4.170 -0.000 0.000 0.287 336 I C -1.185 174.908 176.117 -0.040 0.000 1.008 336 I CA -0.919 60.329 61.300 -0.088 0.000 1.104 336 I CB 1.790 39.781 38.000 -0.014 0.000 1.264 336 I HN 0.228 nan 8.210 nan 0.000 0.438 337 V N 8.036 127.969 119.914 0.032 0.000 2.409 337 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 337 V C -0.980 175.195 176.094 0.136 0.000 1.020 337 V CA -0.622 61.723 62.300 0.074 0.000 0.848 337 V CB 1.396 33.288 31.823 0.114 0.000 0.990 337 V HN 0.633 nan 8.190 nan 0.000 0.430 338 Y N 5.468 125.798 120.300 0.051 0.000 2.341 338 Y HA 0.701 5.251 4.550 0.000 0.000 0.337 338 Y C -0.034 175.938 175.900 0.120 0.000 1.014 338 Y CA -0.344 57.807 58.100 0.085 0.000 1.111 338 Y CB 1.472 39.972 38.460 0.068 0.000 1.194 338 Y HN 0.752 nan 8.280 nan 0.000 0.462 339 Q N 5.955 125.299 119.800 -0.760 0.000 2.462 339 Q HA 0.616 4.956 4.340 -0.000 0.000 0.285 339 Q C -1.907 173.843 176.000 -0.417 0.000 1.035 339 Q CA -0.926 54.635 55.803 -0.404 0.000 0.799 339 Q CB 2.931 31.571 28.738 -0.164 0.000 1.452 339 Q HN 0.696 nan 8.270 nan 0.000 0.404 340 F N 0.000 119.837 119.950 -0.189 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 340 F CA 0.000 57.968 58.000 -0.054 0.000 1.383 340 F CB 0.000 39.040 39.000 0.067 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574