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 3hwb_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ARLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGADAQTGNK TRLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVYDALG 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 0.000 177.713 177.584 0.215 0.000 1.274 1 A CA 0.000 52.178 52.037 0.235 0.000 0.836 1 A CB 0.000 19.199 19.000 0.332 0.000 0.831 2 E N 1.863 122.153 120.200 0.150 0.000 2.220 2 E HA 0.350 4.700 4.350 -0.000 0.000 0.272 2 E C 0.746 177.432 176.600 0.143 0.000 1.099 2 E CA 0.158 56.642 56.400 0.140 0.000 0.907 2 E CB 0.155 29.911 29.700 0.093 0.000 1.022 2 E HN 0.630 nan 8.360 nan 0.000 0.428 3 I N 2.293 122.968 120.570 0.176 0.000 4.181 3 I HA 0.298 4.468 4.170 -0.000 0.000 0.331 3 I C -0.438 175.811 176.117 0.221 0.000 1.312 3 I CA -0.433 60.971 61.300 0.172 0.000 1.146 3 I CB 0.436 38.539 38.000 0.172 0.000 1.074 3 I HN 0.316 nan 8.210 nan 0.000 0.402 4 Y N 1.654 121.989 120.300 0.057 0.000 2.441 4 Y HA 0.540 5.090 4.550 -0.000 0.000 0.334 4 Y C -1.540 174.385 175.900 0.041 0.000 1.061 4 Y CA -1.307 56.817 58.100 0.039 0.000 1.032 4 Y CB 1.815 40.292 38.460 0.028 0.000 1.266 4 Y HN 0.143 nan 8.280 nan 0.000 0.441 5 N N 5.250 123.656 118.700 -0.489 0.000 2.699 5 N HA 0.280 5.020 4.740 -0.000 0.000 0.271 5 N C -1.101 174.129 175.510 -0.467 0.000 1.216 5 N CA -0.344 52.492 53.050 -0.357 0.000 0.844 5 N CB 0.867 39.275 38.487 -0.133 0.000 1.462 5 N HN 0.657 nan 8.380 nan 0.000 0.555 6 K N 0.694 120.783 120.400 -0.519 0.000 4.260 6 K HA 0.389 4.709 4.320 -0.000 0.000 0.295 6 K C -1.001 175.523 176.600 -0.127 0.000 1.029 6 K CA -0.202 55.882 56.287 -0.337 0.000 1.752 6 K CB 0.412 32.670 32.500 -0.404 0.000 3.226 6 K HN 0.238 nan 8.250 nan 0.000 0.891 7 D N 1.379 121.751 120.400 -0.046 0.000 2.558 7 D HA 0.208 4.848 4.640 -0.000 0.000 0.221 7 D C -0.162 176.154 176.300 0.027 0.000 1.143 7 D CA 0.686 54.689 54.000 0.004 0.000 1.010 7 D CB 0.039 40.856 40.800 0.029 0.000 1.068 7 D HN 0.761 nan 8.370 nan 0.000 0.511 8 G N 2.467 111.277 108.800 0.016 0.000 2.221 8 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.265 8 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.265 8 G C 0.238 175.174 174.900 0.061 0.000 1.041 8 G CA 0.041 45.163 45.100 0.036 0.000 0.807 8 G HN 0.542 nan 8.290 nan 0.000 0.502 9 N N -0.339 118.399 118.700 0.063 0.000 2.455 9 N HA 0.527 5.266 4.740 -0.000 0.000 0.285 9 N C -0.776 174.808 175.510 0.123 0.000 1.080 9 N CA -0.617 52.504 53.050 0.119 0.000 0.932 9 N CB 1.064 39.658 38.487 0.178 0.000 1.610 9 N HN 0.535 nan 8.380 nan 0.000 0.493 10 K N 1.048 121.533 120.400 0.142 0.000 2.378 10 K HA 0.742 5.062 4.320 -0.000 0.000 0.252 10 K C -1.427 175.296 176.600 0.205 0.000 0.931 10 K CA -0.850 55.526 56.287 0.148 0.000 0.794 10 K CB 1.931 34.479 32.500 0.081 0.000 1.181 10 K HN 0.104 nan 8.250 nan 0.000 0.425 11 V N 1.821 121.886 119.914 0.252 0.000 2.495 11 V HA 0.269 4.389 4.120 -0.000 0.000 0.298 11 V C -0.918 175.312 176.094 0.225 0.000 1.031 11 V CA -0.645 61.792 62.300 0.229 0.000 0.871 11 V CB 1.593 33.522 31.823 0.177 0.000 0.988 11 V HN 0.921 nan 8.190 nan 0.000 0.432 12 D N 4.243 124.794 120.400 0.252 0.000 2.438 12 D HA 0.250 4.890 4.640 -0.000 0.000 0.257 12 D C -0.817 175.695 176.300 0.354 0.000 1.148 12 D CA -0.432 53.722 54.000 0.256 0.000 0.902 12 D CB 1.656 42.573 40.800 0.194 0.000 1.062 12 D HN 0.424 nan 8.370 nan 0.000 0.518 13 L N 6.035 127.452 121.223 0.324 0.000 2.385 13 L HA 0.219 4.559 4.340 -0.000 0.000 0.281 13 L C -0.952 176.094 176.870 0.292 0.000 1.106 13 L CA -0.130 54.908 54.840 0.331 0.000 0.856 13 L CB -0.251 42.000 42.059 0.320 0.000 1.186 13 L HN 0.226 nan 8.230 nan 0.000 0.453 14 Y N 3.124 123.416 120.300 -0.013 0.000 2.587 14 Y HA 1.013 5.563 4.550 -0.000 0.000 0.337 14 Y C 0.129 175.662 175.900 -0.612 0.000 1.065 14 Y CA -0.711 57.132 58.100 -0.429 0.000 1.126 14 Y CB 1.685 39.980 38.460 -0.276 0.000 1.279 14 Y HN 0.695 nan 8.280 nan 0.000 0.489 15 G N 1.092 109.291 108.800 -1.001 0.000 2.368 15 G HA2 0.511 4.471 3.960 -0.000 0.000 0.293 15 G HA3 0.511 4.471 3.960 -0.000 0.000 0.293 15 G C -2.358 172.329 174.900 -0.355 0.000 1.467 15 G CA -1.305 43.464 45.100 -0.552 0.000 0.804 15 G HN 1.010 nan 8.290 nan 0.000 0.535 16 K N -1.228 119.174 120.400 0.003 0.000 2.546 16 K HA 0.802 5.122 4.320 -0.000 0.000 0.264 16 K C -0.969 175.713 176.600 0.137 0.000 0.937 16 K CA -0.900 55.440 56.287 0.088 0.000 0.833 16 K CB 2.430 34.945 32.500 0.026 0.000 1.378 16 K HN 1.329 nan 8.250 nan 0.000 0.432 17 A N 2.195 125.120 122.820 0.176 0.000 2.267 17 A HA 0.521 4.841 4.320 -0.000 0.000 0.315 17 A C -0.824 176.760 177.584 -0.001 0.000 1.297 17 A CA -0.764 51.330 52.037 0.094 0.000 0.865 17 A CB 0.858 19.948 19.000 0.149 0.000 1.165 17 A HN 0.412 nan 8.150 nan 0.000 0.513 18 V N 3.083 122.878 119.914 -0.199 0.000 2.293 18 V HA 0.428 4.548 4.120 -0.000 0.000 0.275 18 V C 1.014 176.995 176.094 -0.188 0.000 1.021 18 V CA -0.163 61.969 62.300 -0.280 0.000 0.815 18 V CB 1.215 32.586 31.823 -0.755 0.000 1.025 18 V HN 1.018 nan 8.190 nan 0.000 0.448 19 G N 5.206 113.970 108.800 -0.060 0.000 2.716 19 G HA2 0.412 4.371 3.960 -0.000 0.000 0.296 19 G HA3 0.412 4.371 3.960 -0.000 0.000 0.296 19 G C -0.668 174.232 174.900 0.000 0.000 0.811 19 G CA -0.017 45.073 45.100 -0.017 0.000 1.758 19 G HN 0.495 nan 8.290 nan 0.000 0.512 20 L N 2.502 123.740 121.223 0.025 0.000 2.329 20 L HA 0.634 4.974 4.340 -0.000 0.000 0.279 20 L C -0.662 176.299 176.870 0.151 0.000 1.014 20 L CA -1.011 53.889 54.840 0.099 0.000 0.814 20 L CB 1.752 43.914 42.059 0.171 0.000 1.257 20 L HN 0.496 nan 8.230 nan 0.000 0.424 21 H N 3.378 122.509 119.070 0.101 0.000 2.806 21 H HA 0.377 4.933 4.556 -0.000 0.000 0.367 21 H C -1.758 173.651 175.328 0.135 0.000 1.136 21 H CA -0.418 55.634 56.048 0.007 0.000 1.178 21 H CB 1.535 31.204 29.762 -0.155 0.000 1.718 21 H HN 0.484 nan 8.280 nan 0.000 0.540 22 Y N 3.292 123.238 120.300 -0.589 0.000 2.377 22 Y HA 0.339 4.889 4.550 -0.000 0.000 0.339 22 Y C -0.619 175.033 175.900 -0.414 0.000 1.011 22 Y CA -0.897 57.052 58.100 -0.252 0.000 1.093 22 Y CB 1.045 39.440 38.460 -0.109 0.000 1.201 22 Y HN 0.388 nan 8.280 nan 0.000 0.455 23 F N 1.348 121.460 119.950 0.269 0.000 2.493 23 F HA 0.679 5.205 4.527 -0.000 0.000 0.329 23 F C 0.070 175.969 175.800 0.165 0.000 1.126 23 F CA -0.360 57.775 58.000 0.225 0.000 0.937 23 F CB 1.953 41.074 39.000 0.201 0.000 1.146 23 F HN 0.282 nan 8.300 nan 0.000 0.442 24 S N 1.230 117.105 115.700 0.292 0.000 2.625 24 S HA 0.429 4.898 4.470 -0.000 0.000 0.271 24 S C -1.189 173.507 174.600 0.160 0.000 1.161 24 S CA -1.296 57.025 58.200 0.201 0.000 0.820 24 S CB 1.980 65.273 63.200 0.156 0.000 1.137 24 S HN 0.398 nan 8.310 nan 0.000 0.470 25 K N 1.257 121.731 120.400 0.124 0.000 2.298 25 K HA 0.529 4.848 4.320 -0.000 0.000 0.280 25 K C 0.885 177.533 176.600 0.079 0.000 1.032 25 K CA 0.595 56.940 56.287 0.097 0.000 0.958 25 K CB 0.438 32.987 32.500 0.082 0.000 0.978 25 K HN 0.932 nan 8.250 nan 0.000 0.472 26 G N 2.613 111.455 108.800 0.070 0.000 2.512 26 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 26 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 26 G C -0.004 174.928 174.900 0.054 0.000 1.199 26 G CA -0.186 44.946 45.100 0.054 0.000 0.941 26 G HN 0.674 nan 8.290 nan 0.000 0.569 27 N N 2.377 121.100 118.700 0.038 0.000 2.376 27 N HA 0.344 5.083 4.740 -0.000 0.000 0.249 27 N C 1.493 177.017 175.510 0.023 0.000 1.140 27 N CA 1.435 54.502 53.050 0.028 0.000 0.870 27 N CB -0.610 37.887 38.487 0.016 0.000 1.124 27 N HN 2.055 nan 8.380 nan 0.000 0.505 28 G N 1.325 110.149 108.800 0.040 0.000 2.203 28 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.263 28 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.263 28 G C 0.696 175.609 174.900 0.022 0.000 1.012 28 G CA 0.746 45.873 45.100 0.044 0.000 0.749 28 G HN 0.574 nan 8.290 nan 0.000 0.512 29 E N -0.434 119.775 120.200 0.014 0.000 2.112 29 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 29 E C 1.413 178.008 176.600 -0.008 0.000 0.979 29 E CA 0.675 57.072 56.400 -0.004 0.000 0.814 29 E CB -0.016 29.680 29.700 -0.007 0.000 0.762 29 E HN 0.509 nan 8.360 nan 0.000 0.460 30 N N 0.521 119.226 118.700 0.009 0.000 2.610 30 N HA 0.059 4.799 4.740 -0.000 0.000 0.307 30 N C -1.245 174.285 175.510 0.033 0.000 1.813 30 N CA -0.122 52.934 53.050 0.010 0.000 0.901 30 N CB 0.703 39.195 38.487 0.008 0.000 1.354 30 N HN 0.034 nan 8.380 nan 0.000 0.491 31 S N -0.810 114.913 115.700 0.038 0.000 2.810 31 S HA 0.229 4.699 4.470 -0.000 0.000 0.315 31 S C 0.692 175.327 174.600 0.058 0.000 1.138 31 S CA -0.637 57.598 58.200 0.060 0.000 0.889 31 S CB 0.905 64.151 63.200 0.076 0.000 1.236 31 S HN 0.225 nan 8.310 nan 0.000 0.548 32 Y N 0.984 121.226 120.300 -0.098 0.000 2.242 32 Y HA 0.247 4.797 4.550 -0.000 0.000 0.291 32 Y C 1.702 177.518 175.900 -0.139 0.000 1.137 32 Y CA 1.939 59.928 58.100 -0.185 0.000 1.181 32 Y CB -0.586 37.639 38.460 -0.392 0.000 0.989 32 Y HN 0.824 nan 8.280 nan 0.000 0.527 33 G N -1.423 107.283 108.800 -0.156 0.000 3.581 33 G HA2 0.438 4.397 3.960 -0.000 0.000 0.248 33 G HA3 0.438 4.397 3.960 -0.000 0.000 0.248 33 G C 0.363 175.425 174.900 0.269 0.000 1.037 33 G CA 0.253 45.377 45.100 0.039 0.000 0.902 33 G HN 0.810 nan 8.290 nan 0.000 0.512 34 G N 0.387 109.293 108.800 0.175 0.000 2.757 34 G HA2 0.119 4.079 3.960 -0.000 0.000 0.638 34 G HA3 0.119 4.079 3.960 -0.000 0.000 0.638 34 G C -0.683 174.352 174.900 0.226 0.000 1.344 34 G CA -0.141 45.047 45.100 0.146 0.000 0.855 34 G HN 1.206 nan 8.290 nan 0.000 0.537 35 N N 0.359 119.116 118.700 0.095 0.000 2.357 35 N HA 0.827 5.567 4.740 -0.000 0.000 0.284 35 N C 0.458 175.885 175.510 -0.139 0.000 1.236 35 N CA 1.069 54.141 53.050 0.036 0.000 0.774 35 N CB 1.758 40.284 38.487 0.065 0.000 1.534 35 N HN 2.667 nan 8.380 nan 0.000 0.478 36 G N 0.901 109.463 108.800 -0.398 0.000 2.342 36 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.220 36 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.220 36 G C -1.713 172.711 174.900 -0.793 0.000 1.243 36 G CA -0.332 44.461 45.100 -0.512 0.000 1.083 36 G HN 0.819 nan 8.290 nan 0.000 0.500 37 D N 0.447 120.620 120.400 -0.379 0.000 2.308 37 D HA 0.615 5.255 4.640 -0.000 0.000 0.251 37 D C 1.024 177.183 176.300 -0.236 0.000 1.127 37 D CA -0.113 53.752 54.000 -0.225 0.000 0.876 37 D CB 0.592 41.359 40.800 -0.054 0.000 1.176 37 D HN 0.304 nan 8.370 nan 0.000 0.446 38 M N 2.563 122.045 119.600 -0.198 0.000 2.875 38 M HA 0.091 4.571 4.480 -0.000 0.000 0.403 38 M C -0.349 175.974 176.300 0.037 0.000 1.304 38 M CA -0.326 54.857 55.300 -0.195 0.000 0.854 38 M CB 0.111 32.388 32.600 -0.539 0.000 1.415 38 M HN 0.219 nan 8.290 nan 0.000 0.505 39 T N 2.481 117.058 114.554 0.040 0.000 2.888 39 T HA 0.265 4.614 4.350 -0.000 0.000 0.301 39 T C -0.499 174.289 174.700 0.147 0.000 1.001 39 T CA 0.576 62.709 62.100 0.056 0.000 1.147 39 T CB -0.050 68.835 68.868 0.028 0.000 0.931 39 T HN 0.389 nan 8.240 nan 0.000 0.541 40 Y N 0.112 120.439 120.300 0.046 0.000 2.562 40 Y HA 0.772 5.322 4.550 -0.000 0.000 0.345 40 Y C -0.853 175.111 175.900 0.107 0.000 1.045 40 Y CA -1.830 56.310 58.100 0.066 0.000 1.028 40 Y CB 0.993 39.471 38.460 0.032 0.000 1.297 40 Y HN 0.696 nan 8.280 nan 0.000 0.463 41 A N 3.327 126.312 122.820 0.275 0.000 2.374 41 A HA 0.922 5.242 4.320 -0.000 0.000 0.317 41 A C -0.976 176.832 177.584 0.374 0.000 1.094 41 A CA -1.168 51.007 52.037 0.230 0.000 0.765 41 A CB 1.496 20.602 19.000 0.176 0.000 1.268 41 A HN 0.707 nan 8.150 nan 0.000 0.438 42 R N 0.102 120.769 120.500 0.279 0.000 2.778 42 R HA 0.778 5.118 4.340 -0.000 0.000 0.277 42 R C -1.841 174.558 176.300 0.165 0.000 0.977 42 R CA -0.758 55.479 56.100 0.229 0.000 0.950 42 R CB 1.747 32.128 30.300 0.135 0.000 1.165 42 R HN 0.647 nan 8.270 nan 0.000 0.474 43 L N -0.315 120.958 121.223 0.084 0.000 2.513 43 L HA 0.733 5.073 4.340 -0.000 0.000 0.261 43 L C -0.836 175.783 176.870 -0.419 0.000 0.945 43 L CA 0.043 54.873 54.840 -0.017 0.000 0.848 43 L CB 2.386 44.631 42.059 0.310 0.000 1.334 43 L HN 0.817 nan 8.230 nan 0.000 0.407 44 G N 2.366 110.834 108.800 -0.554 0.000 2.441 44 G HA2 0.554 4.513 3.960 -0.000 0.000 0.294 44 G HA3 0.554 4.513 3.960 -0.000 0.000 0.294 44 G C -2.053 172.616 174.900 -0.385 0.000 1.393 44 G CA -0.230 44.466 45.100 -0.672 0.000 0.796 44 G HN 0.829 nan 8.290 nan 0.000 0.494 45 F N -1.083 118.864 119.950 -0.005 0.000 2.588 45 F HA 0.860 5.387 4.527 -0.000 0.000 0.310 45 F C -0.622 175.372 175.800 0.323 0.000 1.082 45 F CA -1.436 56.684 58.000 0.199 0.000 0.929 45 F CB 2.144 41.265 39.000 0.201 0.000 1.254 45 F HN 0.312 nan 8.300 nan 0.000 0.455 46 K N 2.202 122.908 120.400 0.510 0.000 2.394 46 K HA 0.628 4.948 4.320 -0.000 0.000 0.260 46 K C -0.365 176.426 176.600 0.319 0.000 0.967 46 K CA -0.813 55.659 56.287 0.308 0.000 0.855 46 K CB 1.977 34.570 32.500 0.154 0.000 1.101 46 K HN 1.038 nan 8.250 nan 0.000 0.433 47 G N 1.938 110.929 108.800 0.318 0.000 2.420 47 G HA2 0.423 4.383 3.960 -0.000 0.000 0.331 47 G HA3 0.423 4.383 3.960 -0.000 0.000 0.331 47 G C -1.260 173.777 174.900 0.228 0.000 1.168 47 G CA -0.258 45.004 45.100 0.271 0.000 0.936 47 G HN 0.567 nan 8.290 nan 0.000 0.479 48 E N -0.011 120.304 120.200 0.192 0.000 2.311 48 E HA 0.443 4.793 4.350 -0.000 0.000 0.281 48 E C -1.591 175.100 176.600 0.152 0.000 0.905 48 E CA -0.584 55.927 56.400 0.185 0.000 0.778 48 E CB 2.263 32.050 29.700 0.146 0.000 1.240 48 E HN 0.430 nan 8.360 nan 0.000 0.410 49 T N 2.981 117.625 114.554 0.149 0.000 2.812 49 T HA 0.215 4.565 4.350 -0.000 0.000 0.282 49 T C -0.782 173.984 174.700 0.110 0.000 0.990 49 T CA -0.573 61.599 62.100 0.119 0.000 0.960 49 T CB 1.370 70.301 68.868 0.105 0.000 0.948 49 T HN 0.429 nan 8.240 nan 0.000 0.438 50 Q N 5.205 125.059 119.800 0.090 0.000 2.381 50 Q HA 0.330 4.670 4.340 -0.000 0.000 0.243 50 Q C 0.809 176.856 176.000 0.078 0.000 1.154 50 Q CA 0.130 55.982 55.803 0.082 0.000 0.899 50 Q CB -0.303 28.473 28.738 0.062 0.000 1.396 50 Q HN 0.810 nan 8.270 nan 0.000 0.485 51 I N 2.224 122.848 120.570 0.090 0.000 2.133 51 I HA -0.182 3.988 4.170 -0.000 0.000 0.238 51 I C 0.814 176.979 176.117 0.078 0.000 1.074 51 I CA 1.182 62.532 61.300 0.083 0.000 1.342 51 I CB -0.232 37.824 38.000 0.093 0.000 1.053 51 I HN 0.690 nan 8.210 nan 0.000 0.404 52 N N -2.200 116.555 118.700 0.091 0.000 3.600 52 N HA 0.097 4.837 4.740 -0.000 0.000 0.351 52 N C 0.655 176.210 175.510 0.074 0.000 1.614 52 N CA -0.095 53.005 53.050 0.083 0.000 0.664 52 N CB 0.296 38.842 38.487 0.098 0.000 2.485 52 N HN -0.207 nan 8.380 nan 0.000 0.629 53 S N -1.476 114.265 115.700 0.069 0.000 2.387 53 S HA -0.053 4.417 4.470 -0.000 0.000 0.226 53 S C -0.176 174.442 174.600 0.032 0.000 1.026 53 S CA 1.543 59.770 58.200 0.045 0.000 0.972 53 S CB -0.736 62.487 63.200 0.038 0.000 0.814 53 S HN 0.714 nan 8.310 nan 0.000 0.477 54 D N 0.044 120.466 120.400 0.037 0.000 2.785 54 D HA 0.204 4.844 4.640 -0.000 0.000 0.324 54 D C -0.605 175.711 176.300 0.026 0.000 1.523 54 D CA -0.343 53.638 54.000 -0.031 0.000 0.789 54 D CB -0.252 40.451 40.800 -0.161 0.000 1.171 54 D HN 0.329 nan 8.370 nan 0.000 0.447 55 L N 1.504 122.824 121.223 0.162 0.000 2.438 55 L HA 0.572 4.911 4.340 -0.000 0.000 0.270 55 L C -1.086 175.895 176.870 0.185 0.000 0.972 55 L CA 0.141 55.141 54.840 0.267 0.000 0.831 55 L CB 2.163 44.437 42.059 0.359 0.000 1.273 55 L HN 0.115 nan 8.230 nan 0.000 0.405 56 T N 1.256 115.929 114.554 0.198 0.000 2.861 56 T HA 0.863 5.213 4.350 -0.000 0.000 0.287 56 T C -0.069 174.760 174.700 0.215 0.000 1.003 56 T CA -0.404 61.810 62.100 0.190 0.000 0.977 56 T CB 1.647 70.630 68.868 0.191 0.000 0.996 56 T HN 0.872 nan 8.240 nan 0.000 0.448 57 G N 1.784 110.685 108.800 0.169 0.000 2.388 57 G HA2 0.671 4.631 3.960 -0.000 0.000 0.330 57 G HA3 0.671 4.631 3.960 -0.000 0.000 0.330 57 G C -1.291 173.715 174.900 0.177 0.000 1.142 57 G CA -1.050 44.108 45.100 0.097 0.000 0.908 57 G HN 0.909 nan 8.290 nan 0.000 0.473 58 Y N -0.813 119.557 120.300 0.117 0.000 2.609 58 Y HA 0.849 5.399 4.550 -0.000 0.000 0.342 58 Y C -0.016 175.932 175.900 0.079 0.000 1.058 58 Y CA -1.742 56.420 58.100 0.103 0.000 1.055 58 Y CB 1.774 40.299 38.460 0.108 0.000 1.292 58 Y HN 0.870 nan 8.280 nan 0.000 0.476 59 G N 1.214 110.160 108.800 0.243 0.000 2.728 59 G HA2 0.469 4.429 3.960 -0.000 0.000 0.294 59 G HA3 0.469 4.429 3.960 -0.000 0.000 0.294 59 G C -2.500 172.398 174.900 -0.003 0.000 1.398 59 G CA -0.834 44.317 45.100 0.085 0.000 1.183 59 G HN 0.795 nan 8.290 nan 0.000 0.578 60 Q N 0.946 120.470 119.800 -0.461 0.000 2.347 60 Q HA 0.624 4.964 4.340 -0.000 0.000 0.271 60 Q C -1.855 173.805 176.000 -0.568 0.000 1.064 60 Q CA -1.052 54.410 55.803 -0.568 0.000 0.800 60 Q CB 2.713 31.046 28.738 -0.675 0.000 1.304 60 Q HN 0.612 nan 8.270 nan 0.000 0.438 61 W N 3.296 124.050 121.300 -0.910 0.000 2.915 61 W HA 0.537 5.197 4.660 -0.001 0.000 0.337 61 W C -1.703 174.564 176.519 -0.419 0.000 1.102 61 W CA -0.403 56.548 57.345 -0.658 0.000 1.224 61 W CB 1.593 30.574 29.460 -0.799 0.000 1.416 61 W HN 0.642 nan 8.180 nan 0.000 0.503 62 E N 4.498 124.101 120.200 -0.995 0.000 2.308 62 E HA 0.336 4.686 4.350 -0.000 0.000 0.275 62 E C -2.291 173.693 176.600 -1.026 0.000 0.890 62 E CA -0.857 54.983 56.400 -0.934 0.000 0.754 62 E CB 2.195 31.698 29.700 -0.328 0.000 1.207 62 E HN 0.519 nan 8.360 nan 0.000 0.426 63 Y N 2.745 122.400 120.300 -1.075 0.000 2.512 63 Y HA 0.413 4.963 4.550 -0.000 0.000 0.348 63 Y C -1.051 174.530 175.900 -0.532 0.000 0.990 63 Y CA -0.916 56.715 58.100 -0.781 0.000 1.033 63 Y CB 1.789 39.761 38.460 -0.814 0.000 1.259 63 Y HN 0.542 nan 8.280 nan 0.000 0.461 64 N N 3.935 122.192 118.700 -0.739 0.000 2.469 64 N HA 0.335 5.075 4.740 -0.000 0.000 0.253 64 N C -1.964 173.341 175.510 -0.341 0.000 0.970 64 N CA -0.206 52.609 53.050 -0.392 0.000 0.940 64 N CB 0.268 38.527 38.487 -0.381 0.000 1.128 64 N HN 0.377 nan 8.380 nan 0.000 0.503 65 F N 1.324 121.375 119.950 0.169 0.000 2.404 65 F HA 0.405 4.932 4.527 -0.000 0.000 0.339 65 F C 0.698 176.586 175.800 0.147 0.000 1.105 65 F CA -0.619 57.502 58.000 0.202 0.000 1.087 65 F CB 1.356 40.478 39.000 0.203 0.000 1.143 65 F HN 0.181 nan 8.300 nan 0.000 0.491 66 Q N 1.577 121.543 119.800 0.276 0.000 2.271 66 Q HA 0.347 4.687 4.340 -0.000 0.000 0.258 66 Q C 0.724 176.822 176.000 0.164 0.000 0.936 66 Q CA -0.190 55.723 55.803 0.184 0.000 0.909 66 Q CB 1.875 30.664 28.738 0.086 0.000 1.253 66 Q HN 0.968 nan 8.270 nan 0.000 0.440 67 G N 1.947 110.829 108.800 0.136 0.000 2.921 67 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.213 67 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.213 67 G C 0.699 175.631 174.900 0.053 0.000 1.143 67 G CA -0.095 45.057 45.100 0.087 0.000 0.764 67 G HN 0.595 nan 8.290 nan 0.000 0.542 68 N N 0.847 119.573 118.700 0.042 0.000 2.449 68 N HA 0.027 4.767 4.740 -0.000 0.000 0.191 68 N C -0.186 175.326 175.510 0.002 0.000 1.161 68 N CA -0.087 52.968 53.050 0.007 0.000 0.863 68 N CB -0.103 38.367 38.487 -0.029 0.000 0.980 68 N HN 0.049 nan 8.380 nan 0.000 0.458 69 N N -0.006 118.707 118.700 0.021 0.000 2.443 69 N HA 0.124 4.864 4.740 -0.000 0.000 0.293 69 N C -0.553 174.970 175.510 0.021 0.000 1.159 69 N CA -0.410 52.650 53.050 0.018 0.000 0.904 69 N CB 1.861 40.365 38.487 0.028 0.000 1.214 69 N HN 0.073 nan 8.380 nan 0.000 0.513 70 S N -0.382 115.327 115.700 0.015 0.000 2.634 70 S HA 0.119 4.589 4.470 -0.000 0.000 0.261 70 S C 0.799 175.412 174.600 0.021 0.000 1.271 70 S CA -0.112 58.097 58.200 0.015 0.000 0.985 70 S CB 0.443 63.649 63.200 0.009 0.000 0.968 70 S HN 0.464 nan 8.310 nan 0.000 0.568 71 E N 0.256 120.467 120.200 0.018 0.000 2.479 71 E HA 0.166 4.515 4.350 -0.000 0.000 0.193 71 E C 1.131 177.740 176.600 0.016 0.000 1.049 71 E CA 0.013 56.424 56.400 0.019 0.000 0.870 71 E CB 0.153 29.861 29.700 0.014 0.000 0.944 71 E HN 0.695 nan 8.360 nan 0.000 0.492 72 G N 1.027 109.836 108.800 0.013 0.000 3.152 72 G HA2 0.135 4.095 3.960 -0.000 0.000 0.157 72 G HA3 0.135 4.095 3.960 -0.000 0.000 0.157 72 G C 1.137 176.045 174.900 0.012 0.000 1.786 72 G CA 0.406 45.513 45.100 0.011 0.000 1.055 72 G HN 0.200 nan 8.290 nan 0.000 0.528 73 A N 0.082 122.907 122.820 0.009 0.000 2.016 73 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 73 A C 1.590 179.179 177.584 0.009 0.000 1.162 73 A CA 1.802 53.844 52.037 0.008 0.000 0.662 73 A CB -0.246 18.756 19.000 0.004 0.000 0.812 73 A HN 0.548 nan 8.150 nan 0.000 0.450 74 D N -0.152 120.253 120.400 0.008 0.000 2.538 74 D HA 0.355 4.994 4.640 -0.000 0.000 0.234 74 D C 0.891 177.202 176.300 0.017 0.000 1.191 74 D CA 0.568 54.573 54.000 0.007 0.000 0.828 74 D CB 0.127 40.927 40.800 -0.000 0.000 0.981 74 D HN 0.254 nan 8.370 nan 0.000 0.490 75 A N -0.024 122.812 122.820 0.026 0.000 2.238 75 A HA -0.038 4.282 4.320 -0.000 0.000 0.208 75 A C 1.775 179.396 177.584 0.062 0.000 1.177 75 A CA 0.416 52.478 52.037 0.043 0.000 0.804 75 A CB 0.065 19.090 19.000 0.042 0.000 0.823 75 A HN 0.173 nan 8.150 nan 0.000 0.482 76 Q N -0.541 119.288 119.800 0.050 0.000 2.112 76 Q HA 0.168 4.508 4.340 -0.000 0.000 0.222 76 Q C -0.591 175.427 176.000 0.029 0.000 0.798 76 Q CA 0.085 55.924 55.803 0.060 0.000 1.060 76 Q CB 0.501 29.275 28.738 0.060 0.000 1.184 76 Q HN 0.341 nan 8.270 nan 0.000 0.475 77 T N -0.287 114.275 114.554 0.013 0.000 2.814 77 T HA 0.432 4.782 4.350 -0.000 0.000 0.297 77 T C 1.012 175.694 174.700 -0.030 0.000 0.956 77 T CA 0.579 62.670 62.100 -0.015 0.000 1.123 77 T CB 0.937 69.793 68.868 -0.020 0.000 0.902 77 T HN 0.492 nan 8.240 nan 0.000 0.528 78 G N 3.442 112.204 108.800 -0.063 0.000 2.148 78 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 78 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 78 G C -0.007 174.811 174.900 -0.137 0.000 0.981 78 G CA -0.615 44.423 45.100 -0.103 0.000 0.670 78 G HN 0.660 nan 8.290 nan 0.000 0.528 79 N N 1.430 120.066 118.700 -0.108 0.000 2.414 79 N HA 0.523 5.263 4.740 -0.000 0.000 0.256 79 N C 0.176 175.484 175.510 -0.337 0.000 1.029 79 N CA 0.060 53.010 53.050 -0.167 0.000 0.948 79 N CB 1.372 39.898 38.487 0.066 0.000 1.102 79 N HN 0.740 nan 8.380 nan 0.000 0.496 80 K N -0.305 119.632 120.400 -0.772 0.000 2.536 80 K HA 0.412 4.732 4.320 -0.000 0.000 0.269 80 K C -1.167 174.722 176.600 -1.184 0.000 0.965 80 K CA -0.609 55.233 56.287 -0.741 0.000 0.860 80 K CB 0.665 32.916 32.500 -0.414 0.000 1.423 80 K HN 0.108 nan 8.250 nan 0.000 0.438 81 T N 2.382 116.580 114.554 -0.593 0.000 2.729 81 T HA 0.277 4.627 4.350 -0.000 0.000 0.296 81 T C 1.055 175.567 174.700 -0.314 0.000 0.928 81 T CA -0.403 61.504 62.100 -0.321 0.000 1.045 81 T CB 0.908 69.850 68.868 0.124 0.000 0.902 81 T HN 0.454 nan 8.240 nan 0.000 0.500 82 R N 2.139 122.411 120.500 -0.379 0.000 2.090 82 R HA 0.277 4.617 4.340 -0.000 0.000 0.219 82 R C 0.189 176.336 176.300 -0.254 0.000 1.100 82 R CA 0.689 56.592 56.100 -0.329 0.000 0.991 82 R CB 0.182 30.284 30.300 -0.329 0.000 0.893 82 R HN 0.458 nan 8.270 nan 0.000 0.443 83 L N -0.657 120.448 121.223 -0.196 0.000 2.401 83 L HA 0.614 4.953 4.340 -0.000 0.000 0.266 83 L C -1.204 175.699 176.870 0.055 0.000 0.991 83 L CA -0.898 53.932 54.840 -0.017 0.000 0.818 83 L CB 2.404 44.522 42.059 0.099 0.000 1.321 83 L HN -0.029 nan 8.230 nan 0.000 0.413 84 A N 3.591 126.531 122.820 0.202 0.000 2.664 84 A HA 0.613 4.933 4.320 -0.000 0.000 0.300 84 A C -1.198 176.520 177.584 0.224 0.000 1.210 84 A CA -0.356 51.801 52.037 0.201 0.000 0.863 84 A CB 0.113 19.262 19.000 0.250 0.000 1.464 84 A HN 0.584 nan 8.150 nan 0.000 0.438 85 F N -0.440 119.546 119.950 0.060 0.000 2.645 85 F HA 0.954 5.481 4.527 -0.000 0.000 0.310 85 F C -0.328 175.531 175.800 0.099 0.000 1.102 85 F CA -0.850 57.178 58.000 0.047 0.000 0.952 85 F CB 1.382 40.388 39.000 0.010 0.000 1.326 85 F HN 0.806 nan 8.300 nan 0.000 0.456 86 A N 1.033 123.979 122.820 0.209 0.000 2.449 86 A HA 0.994 5.314 4.320 -0.000 0.000 0.302 86 A C -0.617 176.941 177.584 -0.043 0.000 1.048 86 A CA -0.305 51.764 52.037 0.053 0.000 0.708 86 A CB 1.410 20.433 19.000 0.037 0.000 1.274 86 A HN 1.930 nan 8.150 nan 0.000 0.410 87 G N -0.357 108.147 108.800 -0.494 0.000 2.600 87 G HA2 0.602 4.561 3.960 -0.000 0.000 0.293 87 G HA3 0.602 4.561 3.960 -0.000 0.000 0.293 87 G C -1.887 172.493 174.900 -0.866 0.000 1.408 87 G CA -0.620 44.101 45.100 -0.632 0.000 0.782 87 G HN 0.802 nan 8.290 nan 0.000 0.482 88 L N -0.017 121.056 121.223 -0.250 0.000 2.381 88 L HA 0.708 5.048 4.340 -0.000 0.000 0.268 88 L C -0.216 176.829 176.870 0.292 0.000 0.997 88 L CA -0.828 54.031 54.840 0.032 0.000 0.818 88 L CB 2.620 44.749 42.059 0.116 0.000 1.310 88 L HN 0.491 nan 8.230 nan 0.000 0.416 89 K N 1.505 122.113 120.400 0.347 0.000 2.397 89 K HA 0.368 4.688 4.320 -0.000 0.000 0.253 89 K C -1.857 174.929 176.600 0.310 0.000 0.932 89 K CA -0.634 55.850 56.287 0.328 0.000 0.795 89 K CB 1.717 34.396 32.500 0.299 0.000 1.159 89 K HN 0.502 nan 8.250 nan 0.000 0.424 90 Y N 4.838 125.220 120.300 0.136 0.000 2.863 90 Y HA 0.350 4.900 4.550 -0.000 0.000 0.348 90 Y C 0.220 176.177 175.900 0.095 0.000 1.028 90 Y CA 0.326 58.493 58.100 0.112 0.000 1.213 90 Y CB 0.017 38.547 38.460 0.117 0.000 1.120 90 Y HN 0.966 nan 8.280 nan 0.000 0.598 91 A N 2.267 125.014 122.820 -0.122 0.000 5.318 91 A HA -0.343 3.977 4.320 -0.000 0.000 0.329 91 A C 0.688 178.232 177.584 -0.068 0.000 1.789 91 A CA 1.984 53.930 52.037 -0.152 0.000 0.711 91 A CB -1.479 17.339 19.000 -0.303 0.000 1.398 91 A HN 0.612 nan 8.150 nan 0.000 0.392 92 D N 0.009 120.374 120.400 -0.057 0.000 3.072 92 D HA 0.422 5.062 4.640 -0.000 0.000 0.250 92 D C 0.827 177.203 176.300 0.125 0.000 1.304 92 D CA 0.756 54.768 54.000 0.020 0.000 0.861 92 D CB 0.352 41.182 40.800 0.049 0.000 1.062 92 D HN 0.336 nan 8.370 nan 0.000 0.481 93 V N -1.020 118.976 119.914 0.137 0.000 3.137 93 V HA 0.465 4.585 4.120 -0.000 0.000 0.236 93 V C 1.114 177.310 176.094 0.171 0.000 1.260 93 V CA 0.531 63.026 62.300 0.326 0.000 1.244 93 V CB 0.933 33.016 31.823 0.434 0.000 1.016 93 V HN 0.426 nan 8.190 nan 0.000 0.477 94 G N -0.390 108.462 108.800 0.087 0.000 2.359 94 G HA2 0.363 4.323 3.960 -0.000 0.000 0.293 94 G HA3 0.363 4.323 3.960 -0.000 0.000 0.293 94 G C -1.287 173.650 174.900 0.062 0.000 1.300 94 G CA 0.263 45.317 45.100 -0.076 0.000 0.888 94 G HN 0.267 nan 8.290 nan 0.000 0.541 95 S N -0.909 114.772 115.700 -0.031 0.000 2.614 95 S HA 0.732 5.202 4.470 -0.000 0.000 0.288 95 S C -1.653 173.132 174.600 0.309 0.000 1.137 95 S CA -0.523 57.786 58.200 0.181 0.000 0.992 95 S CB 0.935 64.210 63.200 0.125 0.000 1.026 95 S HN 1.398 nan 8.310 nan 0.000 0.486 96 F N 4.317 124.422 119.950 0.259 0.000 2.495 96 F HA 0.714 5.241 4.527 -0.000 0.000 0.327 96 F C -1.053 174.885 175.800 0.229 0.000 1.103 96 F CA -0.604 57.556 58.000 0.266 0.000 0.949 96 F CB 1.486 40.640 39.000 0.257 0.000 1.142 96 F HN 0.681 nan 8.300 nan 0.000 0.457 97 D N 3.497 123.568 120.400 -0.547 0.000 2.859 97 D HA 0.323 4.963 4.640 -0.000 0.000 0.223 97 D C -2.073 173.980 176.300 -0.411 0.000 1.218 97 D CA -0.527 53.279 54.000 -0.324 0.000 0.850 97 D CB 1.552 42.445 40.800 0.154 0.000 1.656 97 D HN 0.448 nan 8.370 nan 0.000 0.484 98 Y N 0.883 121.021 120.300 -0.269 0.000 2.462 98 Y HA 0.704 5.253 4.550 -0.000 0.000 0.346 98 Y C 0.195 176.129 175.900 0.057 0.000 0.976 98 Y CA 0.495 58.521 58.100 -0.123 0.000 1.044 98 Y CB 2.120 40.542 38.460 -0.063 0.000 1.230 98 Y HN 1.028 nan 8.280 nan 0.000 0.455 99 G N 3.738 112.208 108.800 -0.550 0.000 2.340 99 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.527 99 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.527 99 G C -1.658 173.118 174.900 -0.206 0.000 1.381 99 G CA -1.206 43.757 45.100 -0.228 0.000 1.001 99 G HN 0.845 nan 8.290 nan 0.000 0.626 100 R N 0.882 121.330 120.500 -0.087 0.000 2.473 100 R HA 0.312 4.652 4.340 -0.000 0.000 0.315 100 R C -0.175 176.065 176.300 -0.100 0.000 0.972 100 R CA 0.392 56.423 56.100 -0.115 0.000 1.047 100 R CB -0.050 30.201 30.300 -0.080 0.000 0.932 100 R HN 0.588 nan 8.270 nan 0.000 0.411 101 N N 2.888 121.437 118.700 -0.251 0.000 2.825 101 N HA 0.158 4.898 4.740 -0.000 0.000 0.253 101 N C -1.542 173.792 175.510 -0.293 0.000 1.426 101 N CA -0.692 52.159 53.050 -0.333 0.000 0.851 101 N CB 0.730 38.886 38.487 -0.551 0.000 1.470 101 N HN 0.303 nan 8.380 nan 0.000 0.517 102 Y N 0.303 120.460 120.300 -0.238 0.000 2.597 102 Y HA 0.256 4.805 4.550 -0.000 0.000 0.336 102 Y C 1.723 177.568 175.900 -0.091 0.000 1.216 102 Y CA 0.662 58.643 58.100 -0.198 0.000 1.463 102 Y CB 0.295 38.630 38.460 -0.209 0.000 1.303 102 Y HN 0.452 nan 8.280 nan 0.000 0.576 103 G N 0.641 109.521 108.800 0.133 0.000 2.634 103 G HA2 0.297 4.257 3.960 -0.000 0.000 0.255 103 G HA3 0.297 4.257 3.960 -0.000 0.000 0.255 103 G C 0.811 175.869 174.900 0.264 0.000 1.205 103 G CA -0.203 45.021 45.100 0.207 0.000 0.884 103 G HN 0.735 nan 8.290 nan 0.000 0.549 104 V N -1.111 118.970 119.914 0.278 0.000 3.041 104 V HA -0.048 4.072 4.120 -0.000 0.000 0.260 104 V C 2.409 178.581 176.094 0.129 0.000 1.105 104 V CA 1.036 63.433 62.300 0.161 0.000 1.125 104 V CB -0.541 31.336 31.823 0.090 0.000 0.730 104 V HN 0.355 nan 8.190 nan 0.000 0.479 105 V N -0.484 119.537 119.914 0.179 0.000 2.871 105 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 105 V C 2.282 178.457 176.094 0.136 0.000 1.082 105 V CA 1.790 64.167 62.300 0.129 0.000 1.105 105 V CB -0.936 30.972 31.823 0.143 0.000 0.713 105 V HN 0.661 nan 8.190 nan 0.000 0.473 106 Y N 1.247 121.590 120.300 0.072 0.000 2.497 106 Y HA -0.143 4.407 4.550 -0.001 0.000 0.292 106 Y C 2.109 177.999 175.900 -0.016 0.000 1.137 106 Y CA 1.010 59.136 58.100 0.042 0.000 1.285 106 Y CB -0.160 38.360 38.460 0.100 0.000 0.991 106 Y HN 0.352 nan 8.280 nan 0.000 0.556 107 D N -0.256 120.139 120.400 -0.008 0.000 2.263 107 D HA -0.138 4.501 4.640 -0.000 0.000 0.208 107 D C 1.964 178.120 176.300 -0.240 0.000 0.971 107 D CA 1.279 55.218 54.000 -0.102 0.000 0.867 107 D CB -0.042 40.737 40.800 -0.035 0.000 0.929 107 D HN 0.511 nan 8.370 nan 0.000 0.492 108 A N -0.124 122.559 122.820 -0.229 0.000 1.993 108 A HA 0.148 4.467 4.320 -0.000 0.000 0.207 108 A C 2.146 179.565 177.584 -0.274 0.000 1.224 108 A CA -0.060 51.785 52.037 -0.321 0.000 0.749 108 A CB -0.199 18.700 19.000 -0.169 0.000 0.884 108 A HN 0.115 nan 8.150 nan 0.000 0.467 109 L N -0.345 120.740 121.223 -0.230 0.000 2.418 109 L HA 0.043 4.383 4.340 -0.000 0.000 0.218 109 L C 2.408 179.058 176.870 -0.367 0.000 1.125 109 L CA 0.665 55.385 54.840 -0.199 0.000 0.835 109 L CB -0.225 41.794 42.059 -0.066 0.000 0.953 109 L HN 0.470 nan 8.230 nan 0.000 0.454 110 G N -1.413 106.957 108.800 -0.715 0.000 2.679 110 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.212 110 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.212 110 G C 1.209 176.039 174.900 -0.117 0.000 1.137 110 G CA 0.018 44.657 45.100 -0.769 0.000 0.787 110 G HN 0.200 nan 8.290 nan 0.000 0.534 111 Y N 1.994 122.181 120.300 -0.187 0.000 2.181 111 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 111 Y C 3.130 179.076 175.900 0.077 0.000 1.146 111 Y CA 1.476 59.564 58.100 -0.020 0.000 1.164 111 Y CB -0.528 37.910 38.460 -0.036 0.000 0.982 111 Y HN 0.287 nan 8.280 nan 0.000 0.515 112 T N -3.614 111.041 114.554 0.168 0.000 3.086 112 T HA 0.061 4.411 4.350 -0.000 0.000 0.250 112 T C 0.400 175.156 174.700 0.092 0.000 1.074 112 T CA 0.234 62.413 62.100 0.133 0.000 0.988 112 T CB -0.154 68.765 68.868 0.084 0.000 0.988 112 T HN -0.026 nan 8.240 nan 0.000 0.530 113 D N 1.222 121.652 120.400 0.050 0.000 2.619 113 D HA 0.252 4.892 4.640 -0.000 0.000 0.224 113 D C 0.463 176.770 176.300 0.011 0.000 1.133 113 D CA -0.180 53.850 54.000 0.050 0.000 1.017 113 D CB -0.109 40.739 40.800 0.080 0.000 1.077 113 D HN 0.125 nan 8.370 nan 0.000 0.503 114 M N 1.744 121.342 119.600 -0.002 0.000 2.414 114 M HA 0.163 4.643 4.480 -0.000 0.000 0.393 114 M C -0.469 175.790 176.300 -0.069 0.000 1.055 114 M CA -0.202 55.040 55.300 -0.096 0.000 0.937 114 M CB 0.201 32.645 32.600 -0.259 0.000 1.631 114 M HN 0.168 nan 8.290 nan 0.000 0.567 115 L N 1.045 122.266 121.223 -0.004 0.000 2.395 115 L HA 0.215 4.555 4.340 -0.000 0.000 0.269 115 L C -0.946 175.881 176.870 -0.072 0.000 1.133 115 L CA -1.485 53.362 54.840 0.012 0.000 0.812 115 L CB 0.038 42.162 42.059 0.107 0.000 1.125 115 L HN -0.069 nan 8.230 nan 0.000 0.452 116 P HA -0.217 nan 4.420 nan 0.000 0.216 116 P C 0.792 177.774 177.300 -0.530 0.000 1.154 116 P CA 1.319 64.196 63.100 -0.372 0.000 0.865 116 P CB 0.419 32.010 31.700 -0.181 0.000 0.789 117 E N -3.264 116.793 120.200 -0.238 0.000 3.155 117 E HA 0.172 4.522 4.350 -0.000 0.000 0.208 117 E C 0.666 177.069 176.600 -0.328 0.000 1.060 117 E CA 0.167 56.383 56.400 -0.305 0.000 1.522 117 E CB -0.322 29.153 29.700 -0.374 0.000 1.433 117 E HN -0.053 nan 8.360 nan 0.000 0.709 118 F N 0.639 120.646 119.950 0.095 0.000 2.433 118 F HA 0.674 5.201 4.527 -0.000 0.000 0.288 118 F C 1.194 177.072 175.800 0.129 0.000 0.996 118 F CA 0.206 58.281 58.000 0.125 0.000 1.104 118 F CB -0.125 38.989 39.000 0.189 0.000 1.946 118 F HN 0.167 nan 8.300 nan 0.000 0.583 119 G N -1.091 107.978 108.800 0.448 0.000 2.716 119 G HA2 0.406 4.366 3.960 -0.000 0.000 0.686 119 G HA3 0.406 4.366 3.960 -0.000 0.000 0.686 119 G C 0.237 175.258 174.900 0.201 0.000 1.337 119 G CA -0.296 44.995 45.100 0.319 0.000 0.829 119 G HN 1.898 nan 8.290 nan 0.000 0.599 120 G N 0.165 109.046 108.800 0.135 0.000 2.298 120 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.287 120 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.287 120 G C 0.545 175.447 174.900 0.003 0.000 1.075 120 G CA 1.031 46.173 45.100 0.071 0.000 0.960 120 G HN 1.306 nan 8.290 nan 0.000 0.502 121 D N -0.291 120.101 120.400 -0.013 0.000 2.219 121 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 121 D C 2.688 178.642 176.300 -0.577 0.000 0.970 121 D CA 1.850 55.749 54.000 -0.168 0.000 0.851 121 D CB -0.065 40.750 40.800 0.025 0.000 0.943 121 D HN 0.637 nan 8.370 nan 0.000 0.488 122 T N -1.903 112.453 114.554 -0.331 0.000 3.035 122 T HA 0.083 4.433 4.350 -0.000 0.000 0.268 122 T C 1.298 175.867 174.700 -0.218 0.000 1.109 122 T CA 0.442 62.376 62.100 -0.276 0.000 1.119 122 T CB -0.133 68.695 68.868 -0.067 0.000 0.900 122 T HN 0.076 nan 8.240 nan 0.000 0.503 123 A N 1.287 124.005 122.820 -0.170 0.000 3.056 123 A HA 0.514 4.834 4.320 -0.000 0.000 0.274 123 A C -0.610 176.937 177.584 -0.062 0.000 1.661 123 A CA -0.829 51.228 52.037 0.034 0.000 1.363 123 A CB -1.165 17.992 19.000 0.263 0.000 1.139 123 A HN 0.537 nan 8.150 nan 0.000 0.598 124 Y N 0.616 120.957 120.300 0.069 0.000 2.411 124 Y HA 0.217 4.767 4.550 -0.000 0.000 0.333 124 Y C 1.214 177.096 175.900 -0.031 0.000 1.186 124 Y CA 0.382 58.494 58.100 0.021 0.000 1.381 124 Y CB 0.792 39.274 38.460 0.038 0.000 1.273 124 Y HN 0.454 nan 8.280 nan 0.000 0.546 125 S N 2.741 118.486 115.700 0.074 0.000 2.565 125 S HA 0.045 4.515 4.470 -0.000 0.000 0.276 125 S C -0.240 174.322 174.600 -0.063 0.000 1.326 125 S CA -0.604 57.560 58.200 -0.059 0.000 1.045 125 S CB 0.157 63.287 63.200 -0.117 0.000 0.918 125 S HN 0.769 nan 8.310 nan 0.000 0.505 126 D N 1.231 121.550 120.400 -0.135 0.000 2.723 126 D HA -0.157 4.483 4.640 -0.000 0.000 0.236 126 D C -0.697 175.488 176.300 -0.191 0.000 1.138 126 D CA 0.891 54.787 54.000 -0.173 0.000 0.676 126 D CB -0.823 39.882 40.800 -0.159 0.000 1.069 126 D HN 0.598 nan 8.370 nan 0.000 0.430 127 D N -1.035 119.279 120.400 -0.143 0.000 2.443 127 D HA 0.325 4.965 4.640 -0.000 0.000 0.281 127 D C 0.867 177.157 176.300 -0.017 0.000 1.210 127 D CA -0.622 53.318 54.000 -0.100 0.000 0.875 127 D CB -0.022 40.860 40.800 0.136 0.000 1.125 127 D HN -0.018 nan 8.370 nan 0.000 0.503 128 F N 0.459 120.285 119.950 -0.206 0.000 2.549 128 F HA -0.429 4.097 4.527 -0.000 0.000 0.713 128 F C 1.090 176.471 175.800 -0.698 0.000 0.490 128 F CA 1.861 59.590 58.000 -0.451 0.000 0.727 128 F CB -1.237 37.630 39.000 -0.222 0.000 1.592 128 F HN 0.332 nan 8.300 nan 0.000 0.269 129 F N -1.638 118.435 119.950 0.204 0.000 2.871 129 F HA 0.296 4.822 4.527 -0.001 0.000 0.344 129 F C 1.436 177.308 175.800 0.120 0.000 1.078 129 F CA 0.451 58.518 58.000 0.111 0.000 1.149 129 F CB 0.074 39.113 39.000 0.066 0.000 1.087 129 F HN 0.037 nan 8.300 nan 0.000 0.557 130 V N -2.072 118.011 119.914 0.281 0.000 2.871 130 V HA 0.481 4.601 4.120 -0.000 0.000 0.256 130 V C 0.982 177.217 176.094 0.235 0.000 1.082 130 V CA 1.365 63.821 62.300 0.260 0.000 1.105 130 V CB -0.854 31.118 31.823 0.248 0.000 0.713 130 V HN 0.178 nan 8.190 nan 0.000 0.473 131 G N -0.438 108.425 108.800 0.105 0.000 3.058 131 G HA2 0.504 4.464 3.960 -0.000 0.000 0.282 131 G HA3 0.504 4.464 3.960 -0.000 0.000 0.282 131 G C -1.073 173.703 174.900 -0.205 0.000 1.248 131 G CA -1.389 43.676 45.100 -0.058 0.000 0.822 131 G HN 0.208 nan 8.290 nan 0.000 0.579 132 R N 0.024 120.267 120.500 -0.427 0.000 2.370 132 R HA 0.441 4.781 4.340 -0.000 0.000 0.309 132 R C -0.182 175.925 176.300 -0.322 0.000 1.059 132 R CA -0.044 55.743 56.100 -0.523 0.000 0.981 132 R CB 0.762 30.653 30.300 -0.682 0.000 0.972 132 R HN 0.475 nan 8.270 nan 0.000 0.437 133 V N -0.594 119.151 119.914 -0.282 0.000 3.130 133 V HA 0.846 4.966 4.120 -0.000 0.000 0.310 133 V C 0.218 176.175 176.094 -0.228 0.000 1.158 133 V CA -1.137 61.015 62.300 -0.247 0.000 1.029 133 V CB 1.980 33.644 31.823 -0.264 0.000 1.057 133 V HN 0.741 nan 8.190 nan 0.000 0.436 134 G N -0.705 107.973 108.800 -0.203 0.000 2.461 134 G HA2 0.625 4.585 3.960 -0.000 0.000 0.329 134 G HA3 0.625 4.585 3.960 -0.000 0.000 0.329 134 G C 0.720 175.526 174.900 -0.157 0.000 1.170 134 G CA -0.365 44.628 45.100 -0.178 0.000 0.935 134 G HN 2.398 nan 8.290 nan 0.000 0.492 135 G N -1.576 107.131 108.800 -0.154 0.000 2.225 135 G HA2 0.099 4.059 3.960 -0.000 0.000 0.264 135 G HA3 0.099 4.059 3.960 -0.000 0.000 0.264 135 G C 0.066 174.972 174.900 0.011 0.000 1.060 135 G CA 0.388 45.483 45.100 -0.008 0.000 0.833 135 G HN 1.885 nan 8.290 nan 0.000 0.498 136 V N -2.864 116.927 119.914 -0.205 0.000 2.448 136 V HA 0.929 5.049 4.120 -0.000 0.000 0.295 136 V C 0.270 176.352 176.094 -0.020 0.000 1.025 136 V CA -0.736 61.531 62.300 -0.055 0.000 0.859 136 V CB 1.727 33.490 31.823 -0.100 0.000 0.988 136 V HN 1.664 nan 8.190 nan 0.000 0.431 137 A N 3.440 126.432 122.820 0.287 0.000 2.267 137 A HA 0.778 5.097 4.320 -0.000 0.000 0.315 137 A C 0.243 177.992 177.584 0.274 0.000 1.297 137 A CA -0.416 51.807 52.037 0.310 0.000 0.865 137 A CB 0.559 19.904 19.000 0.576 0.000 1.165 137 A HN 0.915 nan 8.150 nan 0.000 0.513 138 T N 2.350 116.938 114.554 0.057 0.000 2.771 138 T HA 0.419 4.768 4.350 -0.000 0.000 0.281 138 T C -0.890 173.950 174.700 0.233 0.000 0.982 138 T CA -0.044 62.136 62.100 0.133 0.000 0.978 138 T CB 0.586 69.459 68.868 0.008 0.000 0.930 138 T HN 0.496 nan 8.240 nan 0.000 0.447 139 Y N 3.674 124.115 120.300 0.236 0.000 2.328 139 Y HA 0.580 5.130 4.550 0.000 0.000 0.337 139 Y C -0.071 175.864 175.900 0.057 0.000 1.008 139 Y CA -1.073 57.169 58.100 0.237 0.000 1.129 139 Y CB 0.719 39.370 38.460 0.318 0.000 1.185 139 Y HN 0.512 nan 8.280 nan 0.000 0.476 140 R N 4.889 125.028 120.500 -0.602 0.000 2.621 140 R HA 0.361 4.701 4.340 -0.000 0.000 0.292 140 R C -1.285 174.461 176.300 -0.923 0.000 0.969 140 R CA -1.072 54.650 56.100 -0.631 0.000 0.887 140 R CB 1.732 31.853 30.300 -0.299 0.000 1.180 140 R HN 0.658 nan 8.270 nan 0.000 0.450 141 N N 0.484 118.608 118.700 -0.959 0.000 2.269 141 N HA 0.323 5.062 4.740 -0.000 0.000 0.304 141 N C -1.480 173.713 175.510 -0.528 0.000 1.072 141 N CA -0.258 52.231 53.050 -0.936 0.000 0.802 141 N CB 2.271 39.829 38.487 -1.550 0.000 1.348 141 N HN 0.430 nan 8.380 nan 0.000 0.484 142 S N 1.948 117.437 115.700 -0.352 0.000 2.473 142 S HA 0.362 4.832 4.470 -0.000 0.000 0.307 142 S C 0.027 174.591 174.600 -0.061 0.000 1.094 142 S CA -0.577 57.527 58.200 -0.159 0.000 1.070 142 S CB 0.848 63.975 63.200 -0.121 0.000 1.019 142 S HN 0.673 nan 8.310 nan 0.000 0.480 143 N N 1.188 119.919 118.700 0.050 0.000 2.714 143 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 143 N C -0.193 175.488 175.510 0.285 0.000 1.117 143 N CA 0.742 53.884 53.050 0.153 0.000 0.719 143 N CB -1.665 36.887 38.487 0.108 0.000 1.081 143 N HN 0.831 nan 8.380 nan 0.000 0.557 144 F N -0.105 119.918 119.950 0.122 0.000 2.526 144 F HA -0.325 4.202 4.527 -0.001 0.000 0.225 144 F C 0.141 176.159 175.800 0.365 0.000 1.031 144 F CA 0.954 59.117 58.000 0.272 0.000 0.915 144 F CB -1.661 37.544 39.000 0.340 0.000 0.952 144 F HN 0.228 nan 8.300 nan 0.000 0.834 145 F N 0.553 120.487 119.950 -0.026 0.000 3.069 145 F HA -0.214 4.312 4.527 -0.000 0.000 0.285 145 F C 1.462 177.287 175.800 0.042 0.000 0.827 145 F CA 1.548 59.528 58.000 -0.033 0.000 1.108 145 F CB -1.520 37.408 39.000 -0.121 0.000 1.252 145 F HN 1.259 nan 8.300 nan 0.000 0.483 146 G N -0.265 108.648 108.800 0.187 0.000 2.248 146 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.263 146 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.263 146 G C 0.436 175.453 174.900 0.194 0.000 1.082 146 G CA 0.257 45.451 45.100 0.157 0.000 0.863 146 G HN 0.581 nan 8.290 nan 0.000 0.495 147 L N -1.967 119.419 121.223 0.272 0.000 2.664 147 L HA 0.320 4.660 4.340 -0.000 0.000 0.198 147 L C 0.807 177.822 176.870 0.241 0.000 1.057 147 L CA 0.153 55.154 54.840 0.269 0.000 0.871 147 L CB 0.467 42.746 42.059 0.367 0.000 1.364 147 L HN 0.081 nan 8.230 nan 0.000 0.483 148 V N 1.377 121.471 119.914 0.301 0.000 2.293 148 V HA 0.231 4.350 4.120 -0.000 0.000 0.275 148 V C -1.163 175.088 176.094 0.262 0.000 1.021 148 V CA -0.769 61.668 62.300 0.228 0.000 0.815 148 V CB 0.863 32.768 31.823 0.137 0.000 1.025 148 V HN 0.120 nan 8.190 nan 0.000 0.448 149 D N 3.789 124.322 120.400 0.222 0.000 2.450 149 D HA 0.457 5.096 4.640 -0.000 0.000 0.247 149 D C 1.226 177.650 176.300 0.207 0.000 1.162 149 D CA 1.785 55.896 54.000 0.186 0.000 0.879 149 D CB 1.096 41.980 40.800 0.140 0.000 1.163 149 D HN 0.806 nan 8.370 nan 0.000 0.472 150 G N 1.665 110.538 108.800 0.121 0.000 2.308 150 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.221 150 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.221 150 G C 0.210 175.202 174.900 0.153 0.000 1.032 150 G CA -0.294 44.802 45.100 -0.007 0.000 0.623 150 G HN 0.518 nan 8.290 nan 0.000 0.506 151 L N 2.812 124.262 121.223 0.378 0.000 2.456 151 L HA 0.575 4.915 4.340 -0.000 0.000 0.277 151 L C -0.713 176.342 176.870 0.309 0.000 1.124 151 L CA -0.511 54.572 54.840 0.405 0.000 0.880 151 L CB 0.205 42.470 42.059 0.343 0.000 1.192 151 L HN 0.274 nan 8.230 nan 0.000 0.463 152 N N 6.040 124.888 118.700 0.246 0.000 2.399 152 N HA 0.439 5.179 4.740 -0.000 0.000 0.280 152 N C -1.071 174.560 175.510 0.201 0.000 1.008 152 N CA -0.248 52.885 53.050 0.138 0.000 0.894 152 N CB 1.619 40.124 38.487 0.031 0.000 1.273 152 N HN 0.444 nan 8.380 nan 0.000 0.486 153 F N 0.078 120.072 119.950 0.073 0.000 2.546 153 F HA 0.955 5.482 4.527 -0.000 0.000 0.320 153 F C -0.775 175.039 175.800 0.023 0.000 1.076 153 F CA -1.251 56.798 58.000 0.081 0.000 0.928 153 F CB 1.466 40.567 39.000 0.168 0.000 1.189 153 F HN 0.438 nan 8.300 nan 0.000 0.465 154 A N 2.639 125.539 122.820 0.134 0.000 2.515 154 A HA 0.778 5.097 4.320 -0.000 0.000 0.298 154 A C -1.989 175.713 177.584 0.197 0.000 1.059 154 A CA -0.860 51.200 52.037 0.037 0.000 0.698 154 A CB 1.781 20.762 19.000 -0.033 0.000 1.289 154 A HN 1.292 nan 8.150 nan 0.000 0.404 155 V N 1.429 121.490 119.914 0.244 0.000 2.735 155 V HA 0.725 4.845 4.120 -0.000 0.000 0.310 155 V C -0.691 175.472 176.094 0.116 0.000 1.061 155 V CA -0.310 62.094 62.300 0.173 0.000 0.913 155 V CB 1.780 33.745 31.823 0.237 0.000 1.005 155 V HN 1.055 nan 8.190 nan 0.000 0.428 156 Q N 3.757 123.527 119.800 -0.050 0.000 2.397 156 Q HA 0.549 4.889 4.340 -0.000 0.000 0.275 156 Q C -2.206 173.717 176.000 -0.128 0.000 1.090 156 Q CA -0.707 55.126 55.803 0.050 0.000 0.809 156 Q CB 2.647 31.494 28.738 0.182 0.000 1.362 156 Q HN 0.794 nan 8.270 nan 0.000 0.431 157 Y N 2.282 122.755 120.300 0.288 0.000 2.555 157 Y HA 0.304 4.854 4.550 -0.000 0.000 0.326 157 Y C -0.587 175.462 175.900 0.249 0.000 0.984 157 Y CA -0.731 57.534 58.100 0.275 0.000 1.298 157 Y CB 1.228 39.835 38.460 0.245 0.000 1.094 157 Y HN 0.504 nan 8.280 nan 0.000 0.500 158 L N 3.346 124.780 121.223 0.352 0.000 2.367 158 L HA 0.651 4.991 4.340 -0.000 0.000 0.275 158 L C 0.554 177.525 176.870 0.168 0.000 1.129 158 L CA 0.405 55.336 54.840 0.153 0.000 0.839 158 L CB 0.410 42.410 42.059 -0.099 0.000 1.133 158 L HN 0.662 nan 8.230 nan 0.000 0.453 159 G N 4.016 112.890 108.800 0.123 0.000 2.462 159 G HA2 0.400 4.360 3.960 -0.000 0.000 0.319 159 G HA3 0.400 4.360 3.960 -0.000 0.000 0.319 159 G C -1.114 173.818 174.900 0.053 0.000 1.171 159 G CA -0.909 44.262 45.100 0.119 0.000 0.920 159 G HN 0.801 nan 8.290 nan 0.000 0.499 160 K N 0.669 121.102 120.400 0.055 0.000 2.379 160 K HA 0.201 4.521 4.320 -0.000 0.000 0.284 160 K C -0.919 175.683 176.600 0.003 0.000 1.044 160 K CA -0.387 55.916 56.287 0.026 0.000 0.974 160 K CB 0.696 33.219 32.500 0.037 0.000 0.962 160 K HN 0.247 nan 8.250 nan 0.000 0.474 161 N N 3.797 122.476 118.700 -0.034 0.000 2.851 161 N HA 0.075 4.815 4.740 -0.000 0.000 0.248 161 N C -1.210 174.273 175.510 -0.046 0.000 1.221 161 N CA -0.391 52.632 53.050 -0.045 0.000 0.847 161 N CB 1.223 39.661 38.487 -0.083 0.000 1.150 161 N HN 0.625 nan 8.380 nan 0.000 0.507 162 E N 1.779 121.967 120.200 -0.021 0.000 2.104 162 E HA 0.151 4.501 4.350 -0.000 0.000 0.278 162 E C 0.198 176.788 176.600 -0.018 0.000 1.127 162 E CA 0.212 56.603 56.400 -0.015 0.000 0.897 162 E CB 1.142 30.842 29.700 -0.001 0.000 1.043 162 E HN 0.234 nan 8.360 nan 0.000 0.410 163 R N 1.905 122.390 120.500 -0.025 0.000 2.944 163 R HA 0.233 4.573 4.340 -0.000 0.000 0.233 163 R C 0.474 176.762 176.300 -0.019 0.000 1.346 163 R CA -0.925 55.158 56.100 -0.027 0.000 1.082 163 R CB 0.679 30.953 30.300 -0.043 0.000 1.434 163 R HN 0.362 nan 8.270 nan 0.000 0.510 164 D N 0.793 121.180 120.400 -0.022 0.000 2.144 164 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 164 D C 0.524 176.813 176.300 -0.019 0.000 0.978 164 D CA 1.558 55.547 54.000 -0.018 0.000 0.833 164 D CB 0.112 40.900 40.800 -0.021 0.000 0.961 164 D HN 0.522 nan 8.370 nan 0.000 0.470 165 T N -2.497 112.041 114.554 -0.026 0.000 2.888 165 T HA 0.640 4.989 4.350 -0.000 0.000 0.284 165 T C 0.957 175.649 174.700 -0.012 0.000 1.017 165 T CA -0.584 61.500 62.100 -0.028 0.000 1.022 165 T CB 2.310 71.150 68.868 -0.047 0.000 1.013 165 T HN -0.082 nan 8.240 nan 0.000 0.465 166 A N 1.737 124.561 122.820 0.007 0.000 2.066 166 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 166 A C 2.311 179.976 177.584 0.134 0.000 1.157 166 A CA 1.217 53.303 52.037 0.081 0.000 0.670 166 A CB -0.719 18.352 19.000 0.118 0.000 0.804 166 A HN 0.866 nan 8.150 nan 0.000 0.453 167 R N 0.182 120.674 120.500 -0.013 0.000 2.105 167 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 167 R C 1.411 177.711 176.300 -0.000 0.000 1.135 167 R CA 1.712 57.777 56.100 -0.058 0.000 0.967 167 R CB -0.208 30.005 30.300 -0.145 0.000 0.861 167 R HN 0.320 nan 8.270 nan 0.000 0.442 168 R N 0.046 120.519 120.500 -0.044 0.000 2.362 168 R HA 0.311 4.651 4.340 -0.000 0.000 0.227 168 R C -0.115 176.108 176.300 -0.129 0.000 0.905 168 R CA 0.037 56.080 56.100 -0.096 0.000 1.067 168 R CB 0.361 30.606 30.300 -0.092 0.000 1.078 168 R HN 0.049 nan 8.270 nan 0.000 0.516 169 S N 2.442 118.087 115.700 -0.093 0.000 2.616 169 S HA 0.409 4.878 4.470 -0.000 0.000 0.277 169 S C 0.214 174.667 174.600 -0.246 0.000 1.234 169 S CA -0.659 57.472 58.200 -0.114 0.000 1.028 169 S CB 1.287 64.469 63.200 -0.030 0.000 0.988 169 S HN 0.378 nan 8.310 nan 0.000 0.522 170 N N 0.086 118.651 118.700 -0.226 0.000 2.823 170 N HA 0.448 5.188 4.740 -0.000 0.000 0.251 170 N C -0.513 174.969 175.510 -0.047 0.000 1.392 170 N CA -0.930 51.964 53.050 -0.260 0.000 0.864 170 N CB 1.152 39.301 38.487 -0.564 0.000 1.481 170 N HN 0.610 nan 8.380 nan 0.000 0.508 171 G N -0.542 108.307 108.800 0.082 0.000 2.828 171 G HA2 0.353 4.312 3.960 -0.000 0.000 0.244 171 G HA3 0.353 4.312 3.960 -0.000 0.000 0.244 171 G C -0.896 174.067 174.900 0.105 0.000 1.365 171 G CA -0.450 44.703 45.100 0.087 0.000 1.041 171 G HN 0.579 nan 8.290 nan 0.000 0.560 172 D N -0.095 120.372 120.400 0.113 0.000 2.345 172 D HA 0.516 5.156 4.640 -0.000 0.000 0.247 172 D C 0.407 176.821 176.300 0.189 0.000 1.108 172 D CA 0.693 54.779 54.000 0.143 0.000 0.894 172 D CB 1.493 42.371 40.800 0.129 0.000 1.203 172 D HN 0.628 nan 8.370 nan 0.000 0.430 173 G N -0.421 108.533 108.800 0.258 0.000 2.576 173 G HA2 0.492 4.452 3.960 -0.000 0.000 0.290 173 G HA3 0.492 4.452 3.960 -0.000 0.000 0.290 173 G C -1.615 173.514 174.900 0.381 0.000 1.442 173 G CA -0.527 44.774 45.100 0.336 0.000 0.792 173 G HN 0.311 nan 8.290 nan 0.000 0.491 174 V N -0.150 119.897 119.914 0.221 0.000 2.588 174 V HA 0.902 5.022 4.120 -0.000 0.000 0.304 174 V C 0.622 176.551 176.094 -0.275 0.000 1.042 174 V CA 0.025 62.313 62.300 -0.018 0.000 0.877 174 V CB 1.532 33.329 31.823 -0.043 0.000 0.996 174 V HN 1.289 nan 8.190 nan 0.000 0.425 175 G N 1.582 110.149 108.800 -0.388 0.000 2.569 175 G HA2 0.861 4.821 3.960 -0.000 0.000 0.300 175 G HA3 0.861 4.821 3.960 -0.000 0.000 0.300 175 G C -0.574 174.199 174.900 -0.210 0.000 1.269 175 G CA -0.461 44.302 45.100 -0.561 0.000 0.959 175 G HN 1.162 nan 8.290 nan 0.000 0.478 176 G N -1.025 107.708 108.800 -0.111 0.000 2.720 176 G HA2 0.696 4.656 3.960 -0.000 0.000 0.295 176 G HA3 0.696 4.656 3.960 -0.000 0.000 0.295 176 G C -0.901 174.036 174.900 0.063 0.000 1.437 176 G CA 0.106 45.223 45.100 0.029 0.000 0.886 176 G HN 1.559 nan 8.290 nan 0.000 0.509 177 S N -0.185 115.575 115.700 0.101 0.000 2.649 177 S HA 0.673 5.143 4.470 -0.000 0.000 0.274 177 S C -0.984 173.696 174.600 0.132 0.000 1.176 177 S CA -0.710 57.544 58.200 0.091 0.000 0.988 177 S CB 1.085 64.316 63.200 0.051 0.000 1.071 177 S HN 0.684 nan 8.310 nan 0.000 0.478 178 I N 3.006 123.647 120.570 0.120 0.000 2.404 178 I HA 0.691 4.860 4.170 -0.000 0.000 0.293 178 I C -0.025 176.162 176.117 0.117 0.000 0.992 178 I CA -0.509 60.883 61.300 0.152 0.000 1.149 178 I CB 2.143 40.217 38.000 0.122 0.000 1.315 178 I HN 0.875 nan 8.210 nan 0.000 0.446 179 S N 4.864 120.655 115.700 0.152 0.000 2.546 179 S HA 0.680 5.150 4.470 -0.000 0.000 0.274 179 S C -1.379 173.366 174.600 0.242 0.000 1.121 179 S CA -0.814 57.475 58.200 0.148 0.000 0.887 179 S CB 2.057 65.310 63.200 0.088 0.000 1.094 179 S HN 0.562 nan 8.310 nan 0.000 0.474 180 Y N 0.593 120.952 120.300 0.099 0.000 2.421 180 Y HA 0.582 5.132 4.550 -0.000 0.000 0.339 180 Y C -1.180 174.807 175.900 0.146 0.000 0.996 180 Y CA -0.539 57.627 58.100 0.109 0.000 1.046 180 Y CB 1.789 40.295 38.460 0.077 0.000 1.226 180 Y HN 0.895 nan 8.280 nan 0.000 0.445 181 E N 5.197 125.115 120.200 -0.470 0.000 2.210 181 E HA 0.323 4.672 4.350 -0.000 0.000 0.266 181 E C -2.168 174.178 176.600 -0.422 0.000 0.883 181 E CA -1.019 55.204 56.400 -0.295 0.000 0.761 181 E CB 2.692 32.318 29.700 -0.124 0.000 1.156 181 E HN 0.547 nan 8.360 nan 0.000 0.412 182 Y N 1.936 122.068 120.300 -0.281 0.000 2.301 182 Y HA 0.114 4.664 4.550 -0.000 0.000 0.325 182 Y C -1.064 174.866 175.900 0.050 0.000 1.103 182 Y CA -0.630 57.384 58.100 -0.142 0.000 1.182 182 Y CB 0.725 39.148 38.460 -0.061 0.000 1.139 182 Y HN 0.648 nan 8.280 nan 0.000 0.443 183 E N 4.609 124.587 120.200 -0.371 0.000 2.369 183 E HA -0.255 4.094 4.350 -0.000 0.000 0.165 183 E C 1.101 177.626 176.600 -0.125 0.000 1.622 183 E CA 1.185 57.409 56.400 -0.294 0.000 0.660 183 E CB -1.073 28.376 29.700 -0.419 0.000 1.085 183 E HN 1.276 nan 8.360 nan 0.000 0.346 184 G N 0.428 109.073 108.800 -0.257 0.000 2.498 184 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.229 184 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.229 184 G C 0.197 174.819 174.900 -0.463 0.000 1.156 184 G CA 0.237 45.008 45.100 -0.547 0.000 0.680 184 G HN 0.343 nan 8.290 nan 0.000 0.512 185 F N 1.841 121.746 119.950 -0.075 0.000 2.450 185 F HA 0.532 5.059 4.527 -0.000 0.000 0.339 185 F C 1.141 176.947 175.800 0.010 0.000 1.146 185 F CA 0.919 58.945 58.000 0.044 0.000 1.267 185 F CB 1.594 40.689 39.000 0.158 0.000 1.178 185 F HN 0.480 nan 8.300 nan 0.000 0.585 186 G N 3.455 112.411 108.800 0.258 0.000 2.734 186 G HA2 0.487 4.446 3.960 -0.000 0.000 0.293 186 G HA3 0.487 4.446 3.960 -0.000 0.000 0.293 186 G C -2.119 173.002 174.900 0.368 0.000 1.422 186 G CA -0.408 44.843 45.100 0.252 0.000 1.177 186 G HN 0.509 nan 8.290 nan 0.000 0.565 187 I N 3.035 123.784 120.570 0.298 0.000 2.406 187 I HA 0.678 4.847 4.170 -0.000 0.000 0.290 187 I C -0.882 175.312 176.117 0.128 0.000 0.999 187 I CA -0.788 60.649 61.300 0.229 0.000 1.124 187 I CB 1.745 39.863 38.000 0.197 0.000 1.289 187 I HN 0.188 nan 8.210 nan 0.000 0.441 188 V N 6.017 125.928 119.914 -0.005 0.000 2.735 188 V HA 0.753 4.873 4.120 -0.000 0.000 0.310 188 V C 0.234 176.311 176.094 -0.028 0.000 1.061 188 V CA -0.601 61.644 62.300 -0.092 0.000 0.913 188 V CB 1.918 33.519 31.823 -0.371 0.000 1.005 188 V HN 0.884 nan 8.190 nan 0.000 0.428 189 G N 2.283 111.094 108.800 0.020 0.000 2.782 189 G HA2 0.715 4.674 3.960 -0.000 0.000 0.289 189 G HA3 0.715 4.674 3.960 -0.000 0.000 0.289 189 G C -0.618 174.333 174.900 0.085 0.000 1.463 189 G CA -0.047 45.095 45.100 0.070 0.000 1.019 189 G HN 1.081 nan 8.290 nan 0.000 0.536 190 A N 2.145 125.033 122.820 0.114 0.000 2.340 190 A HA 0.894 5.214 4.320 -0.000 0.000 0.331 190 A C -1.612 176.111 177.584 0.231 0.000 1.140 190 A CA -0.817 51.291 52.037 0.119 0.000 0.801 190 A CB 1.755 20.788 19.000 0.055 0.000 1.234 190 A HN 1.092 nan 8.150 nan 0.000 0.469 191 Y N 0.014 120.319 120.300 0.008 0.000 2.544 191 Y HA 0.591 5.141 4.550 -0.001 0.000 0.342 191 Y C -0.129 175.652 175.900 -0.199 0.000 1.062 191 Y CA -0.101 57.993 58.100 -0.010 0.000 1.023 191 Y CB 2.176 40.618 38.460 -0.029 0.000 1.308 191 Y HN 1.078 nan 8.280 nan 0.000 0.457 192 G N 2.525 110.741 108.800 -0.973 0.000 2.734 192 G HA2 0.675 4.635 3.960 -0.000 0.000 0.293 192 G HA3 0.675 4.635 3.960 -0.000 0.000 0.293 192 G C -2.149 172.174 174.900 -0.961 0.000 1.422 192 G CA -0.284 44.107 45.100 -1.181 0.000 1.177 192 G HN 0.945 nan 8.290 nan 0.000 0.565 193 A N 0.768 123.201 122.820 -0.645 0.000 2.356 193 A HA 1.040 5.360 4.320 -0.000 0.000 0.310 193 A C -0.049 177.575 177.584 0.066 0.000 1.075 193 A CA -0.057 51.834 52.037 -0.243 0.000 0.746 193 A CB 1.726 20.654 19.000 -0.120 0.000 1.221 193 A HN 2.275 nan 8.150 nan 0.000 0.443 194 A N 1.916 124.776 122.820 0.067 0.000 2.587 194 A HA 0.721 5.040 4.320 -0.000 0.000 0.293 194 A C -1.140 176.463 177.584 0.031 0.000 1.087 194 A CA -0.720 51.410 52.037 0.154 0.000 0.692 194 A CB 0.943 20.147 19.000 0.340 0.000 1.291 194 A HN 0.709 nan 8.150 nan 0.000 0.407 195 D N 0.861 121.319 120.400 0.097 0.000 2.357 195 D HA 0.323 4.963 4.640 -0.000 0.000 0.242 195 D C -0.127 176.237 176.300 0.107 0.000 1.153 195 D CA 0.262 54.303 54.000 0.069 0.000 0.918 195 D CB 0.670 41.515 40.800 0.076 0.000 1.181 195 D HN 0.393 nan 8.370 nan 0.000 0.435 196 R N 0.152 120.688 120.500 0.060 0.000 2.514 196 R HA 0.328 4.668 4.340 -0.000 0.000 0.301 196 R C 0.164 176.499 176.300 0.058 0.000 0.962 196 R CA -0.609 55.535 56.100 0.074 0.000 0.882 196 R CB 1.540 31.844 30.300 0.007 0.000 1.143 196 R HN 0.490 nan 8.270 nan 0.000 0.452 197 T N -0.502 114.087 114.554 0.058 0.000 2.813 197 T HA 0.046 4.396 4.350 -0.000 0.000 0.297 197 T C 1.025 175.753 174.700 0.046 0.000 1.036 197 T CA -0.583 61.543 62.100 0.044 0.000 1.044 197 T CB 0.567 69.454 68.868 0.031 0.000 0.993 197 T HN 0.406 nan 8.240 nan 0.000 0.535 198 N N -0.152 118.571 118.700 0.039 0.000 2.289 198 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 198 N C 1.460 176.998 175.510 0.045 0.000 1.016 198 N CA 0.430 53.503 53.050 0.038 0.000 0.872 198 N CB -0.509 37.996 38.487 0.029 0.000 0.973 198 N HN 0.511 nan 8.380 nan 0.000 0.433 199 L N 0.804 122.055 121.223 0.048 0.000 2.156 199 L HA -0.016 4.323 4.340 -0.000 0.000 0.208 199 L C 1.852 178.777 176.870 0.092 0.000 1.095 199 L CA 1.457 56.330 54.840 0.054 0.000 0.770 199 L CB -0.282 41.802 42.059 0.041 0.000 0.914 199 L HN 0.172 nan 8.230 nan 0.000 0.439 200 Q N -0.975 118.898 119.800 0.122 0.000 2.172 200 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 200 Q C 1.818 177.925 176.000 0.179 0.000 0.964 200 Q CA 1.156 57.090 55.803 0.218 0.000 0.855 200 Q CB 0.035 28.874 28.738 0.169 0.000 0.918 200 Q HN 0.471 nan 8.270 nan 0.000 0.444 201 E N 0.112 120.374 120.200 0.104 0.000 2.285 201 E HA -0.039 4.310 4.350 -0.000 0.000 0.194 201 E C 1.605 178.247 176.600 0.071 0.000 0.997 201 E CA 0.638 57.086 56.400 0.080 0.000 0.845 201 E CB 0.153 29.885 29.700 0.052 0.000 0.782 201 E HN 0.279 nan 8.360 nan 0.000 0.491 202 A N 0.981 123.840 122.820 0.066 0.000 2.167 202 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 202 A C 1.118 178.729 177.584 0.046 0.000 1.151 202 A CA 0.307 52.373 52.037 0.048 0.000 0.735 202 A CB 0.037 19.060 19.000 0.038 0.000 0.802 202 A HN 0.032 nan 8.150 nan 0.000 0.467 203 Q N -0.254 119.584 119.800 0.064 0.000 2.352 203 Q HA 0.165 4.505 4.340 -0.000 0.000 0.260 203 Q C -1.686 174.338 176.000 0.040 0.000 0.976 203 Q CA -1.775 54.055 55.803 0.045 0.000 0.881 203 Q CB 0.123 28.892 28.738 0.052 0.000 1.235 203 Q HN 0.157 nan 8.270 nan 0.000 0.419 204 P HA -0.087 nan 4.420 nan 0.000 0.218 204 P C -0.094 177.222 177.300 0.026 0.000 1.148 204 P CA 1.162 64.274 63.100 0.020 0.000 0.822 204 P CB 0.286 31.991 31.700 0.009 0.000 0.784 205 L N -0.781 120.455 121.223 0.022 0.000 2.295 205 L HA 0.625 4.965 4.340 -0.000 0.000 0.285 205 L C 0.527 177.448 176.870 0.085 0.000 1.035 205 L CA -0.397 54.463 54.840 0.033 0.000 0.806 205 L CB 0.943 43.000 42.059 -0.003 0.000 1.214 205 L HN 0.063 nan 8.230 nan 0.000 0.426 206 G N 2.341 111.198 108.800 0.095 0.000 3.055 206 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.686 206 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.686 206 G C -1.329 173.630 174.900 0.098 0.000 1.087 206 G CA -0.889 44.289 45.100 0.130 0.000 0.779 206 G HN 0.636 nan 8.290 nan 0.000 0.599 207 N N 0.890 119.631 118.700 0.068 0.000 2.480 207 N HA 0.769 5.508 4.740 -0.000 0.000 0.289 207 N C -0.038 175.490 175.510 0.030 0.000 1.073 207 N CA 0.731 53.809 53.050 0.048 0.000 0.885 207 N CB 1.909 40.419 38.487 0.039 0.000 1.421 207 N HN 2.128 nan 8.380 nan 0.000 0.503 208 G N 2.091 110.903 108.800 0.021 0.000 2.322 208 G HA2 0.021 3.980 3.960 -0.000 0.000 0.289 208 G HA3 0.021 3.980 3.960 -0.000 0.000 0.289 208 G C -0.098 174.797 174.900 -0.008 0.000 1.687 208 G CA -0.522 44.580 45.100 0.003 0.000 0.944 208 G HN 0.394 nan 8.290 nan 0.000 0.718 209 K N -0.446 119.951 120.400 -0.005 0.000 2.305 209 K HA 0.175 4.495 4.320 -0.000 0.000 0.199 209 K C 0.978 177.564 176.600 -0.023 0.000 1.047 209 K CA 0.791 57.075 56.287 -0.004 0.000 0.976 209 K CB 0.166 32.671 32.500 0.008 0.000 0.765 209 K HN 0.337 nan 8.250 nan 0.000 0.474 210 K N 0.007 120.383 120.400 -0.041 0.000 2.207 210 K HA 0.595 4.915 4.320 -0.000 0.000 0.255 210 K C -1.560 174.950 176.600 -0.150 0.000 0.941 210 K CA -0.615 55.631 56.287 -0.069 0.000 0.825 210 K CB 1.907 34.387 32.500 -0.032 0.000 1.119 210 K HN -0.008 nan 8.250 nan 0.000 0.430 211 A N 3.490 126.152 122.820 -0.265 0.000 2.318 211 A HA 0.529 4.849 4.320 -0.000 0.000 0.317 211 A C -1.170 176.181 177.584 -0.389 0.000 1.159 211 A CA -0.610 51.144 52.037 -0.471 0.000 0.799 211 A CB 0.603 18.956 19.000 -1.078 0.000 1.194 211 A HN 0.776 nan 8.150 nan 0.000 0.479 212 E N 1.301 121.336 120.200 -0.275 0.000 2.222 212 E HA 0.522 4.872 4.350 -0.000 0.000 0.267 212 E C -1.232 175.266 176.600 -0.171 0.000 0.884 212 E CA -0.541 55.731 56.400 -0.212 0.000 0.764 212 E CB 2.228 31.903 29.700 -0.041 0.000 1.169 212 E HN 0.691 nan 8.360 nan 0.000 0.413 213 Q N 3.123 122.793 119.800 -0.217 0.000 2.263 213 Q HA 0.349 4.689 4.340 -0.000 0.000 0.266 213 Q C -1.467 174.495 176.000 -0.064 0.000 1.002 213 Q CA -0.801 54.933 55.803 -0.115 0.000 0.790 213 Q CB 1.987 30.716 28.738 -0.015 0.000 1.272 213 Q HN 0.563 nan 8.270 nan 0.000 0.435 214 W N 1.447 122.690 121.300 -0.095 0.000 3.032 214 W HA 0.895 5.555 4.660 -0.000 0.000 0.335 214 W C -1.924 174.582 176.519 -0.023 0.000 1.154 214 W CA -1.078 56.266 57.345 -0.003 0.000 1.204 214 W CB 1.020 30.597 29.460 0.195 0.000 1.416 214 W HN 0.676 nan 8.180 nan 0.000 0.521 215 A N 2.311 125.232 122.820 0.169 0.000 2.520 215 A HA 0.762 5.082 4.320 -0.000 0.000 0.298 215 A C -0.544 177.129 177.584 0.148 0.000 1.051 215 A CA -0.533 51.495 52.037 -0.015 0.000 0.690 215 A CB 1.528 20.466 19.000 -0.102 0.000 1.281 215 A HN 0.735 nan 8.150 nan 0.000 0.402 216 T N -0.926 113.719 114.554 0.151 0.000 2.940 216 T HA 0.866 5.216 4.350 -0.000 0.000 0.288 216 T C 0.074 174.808 174.700 0.056 0.000 1.033 216 T CA -0.334 61.858 62.100 0.153 0.000 1.033 216 T CB 1.973 71.002 68.868 0.269 0.000 1.079 216 T HN 1.944 nan 8.240 nan 0.000 0.496 217 G N 0.959 109.764 108.800 0.008 0.000 2.684 217 G HA2 0.556 4.516 3.960 -0.000 0.000 0.289 217 G HA3 0.556 4.516 3.960 -0.000 0.000 0.289 217 G C -1.792 173.216 174.900 0.180 0.000 1.416 217 G CA -0.741 44.364 45.100 0.008 0.000 1.235 217 G HN 0.696 nan 8.290 nan 0.000 0.576 218 L N 1.987 123.381 121.223 0.286 0.000 2.346 218 L HA 0.783 5.123 4.340 -0.000 0.000 0.276 218 L C 0.133 177.137 176.870 0.222 0.000 1.006 218 L CA -0.612 54.404 54.840 0.294 0.000 0.817 218 L CB 2.278 44.456 42.059 0.198 0.000 1.272 218 L HN 0.791 nan 8.230 nan 0.000 0.421 219 K N 1.652 122.119 120.400 0.112 0.000 2.533 219 K HA 0.602 4.922 4.320 -0.000 0.000 0.272 219 K C -1.896 174.581 176.600 -0.204 0.000 0.985 219 K CA -0.934 55.213 56.287 -0.233 0.000 0.876 219 K CB 2.059 34.093 32.500 -0.777 0.000 1.452 219 K HN 0.342 nan 8.250 nan 0.000 0.439 220 Y N 1.260 121.249 120.300 -0.519 0.000 2.327 220 Y HA 0.333 4.883 4.550 -0.000 0.000 0.325 220 Y C -1.733 173.857 175.900 -0.517 0.000 0.999 220 Y CA -0.660 57.077 58.100 -0.606 0.000 1.195 220 Y CB 1.887 39.952 38.460 -0.658 0.000 1.132 220 Y HN 0.872 nan 8.280 nan 0.000 0.455 221 D N 5.136 125.048 120.400 -0.814 0.000 2.441 221 D HA 0.655 5.295 4.640 -0.000 0.000 0.287 221 D C -1.512 174.419 176.300 -0.615 0.000 1.198 221 D CA 0.017 53.708 54.000 -0.514 0.000 0.894 221 D CB 0.321 40.986 40.800 -0.225 0.000 1.070 221 D HN 0.668 nan 8.370 nan 0.000 0.499 222 A N 2.446 124.810 122.820 -0.760 0.000 2.547 222 A HA 0.595 4.915 4.320 -0.000 0.000 0.297 222 A C -0.321 177.108 177.584 -0.259 0.000 1.056 222 A CA -0.917 50.794 52.037 -0.544 0.000 0.688 222 A CB 0.737 19.313 19.000 -0.707 0.000 1.282 222 A HN 0.285 nan 8.150 nan 0.000 0.400 223 N N 2.315 120.912 118.700 -0.171 0.000 2.696 223 N HA -0.180 4.560 4.740 -0.000 0.000 0.256 223 N C 0.183 175.600 175.510 -0.156 0.000 1.031 223 N CA 1.326 54.314 53.050 -0.104 0.000 0.730 223 N CB -1.064 37.414 38.487 -0.014 0.000 0.894 223 N HN 0.771 nan 8.380 nan 0.000 0.544 224 N N -2.649 115.896 118.700 -0.258 0.000 2.863 224 N HA -0.222 4.518 4.740 -0.000 0.000 0.245 224 N C -0.672 174.530 175.510 -0.512 0.000 1.001 224 N CA 1.489 54.253 53.050 -0.477 0.000 0.901 224 N CB -1.076 36.962 38.487 -0.748 0.000 1.124 224 N HN 0.684 nan 8.380 nan 0.000 0.582 225 I N 0.335 120.791 120.570 -0.190 0.000 2.406 225 I HA 0.284 4.453 4.170 -0.000 0.000 0.290 225 I C -0.506 175.637 176.117 0.043 0.000 0.999 225 I CA -0.829 60.472 61.300 0.002 0.000 1.124 225 I CB 1.466 39.571 38.000 0.175 0.000 1.289 225 I HN -0.063 nan 8.210 nan 0.000 0.441 226 Y N 7.358 127.615 120.300 -0.072 0.000 2.363 226 Y HA 0.631 5.180 4.550 -0.000 0.000 0.325 226 Y C -1.383 174.494 175.900 -0.037 0.000 0.984 226 Y CA -0.622 57.422 58.100 -0.093 0.000 1.248 226 Y CB 1.069 39.451 38.460 -0.130 0.000 1.116 226 Y HN 0.384 nan 8.280 nan 0.000 0.470 227 L N 5.937 126.966 121.223 -0.324 0.000 2.325 227 L HA 0.908 5.247 4.340 -0.000 0.000 0.281 227 L C -0.553 176.097 176.870 -0.367 0.000 1.004 227 L CA -0.846 53.866 54.840 -0.213 0.000 0.823 227 L CB 1.665 43.671 42.059 -0.089 0.000 1.236 227 L HN 0.693 nan 8.230 nan 0.000 0.415 228 A N 2.963 125.645 122.820 -0.230 0.000 2.435 228 A HA 0.974 5.294 4.320 -0.000 0.000 0.304 228 A C -1.003 176.583 177.584 0.004 0.000 1.064 228 A CA -0.493 51.442 52.037 -0.170 0.000 0.727 228 A CB 1.947 20.858 19.000 -0.149 0.000 1.284 228 A HN 0.738 nan 8.150 nan 0.000 0.415 229 A N 2.062 124.924 122.820 0.070 0.000 2.402 229 A HA 0.717 5.037 4.320 -0.000 0.000 0.291 229 A C -0.881 176.782 177.584 0.132 0.000 1.051 229 A CA -0.546 51.548 52.037 0.096 0.000 0.716 229 A CB 0.883 19.934 19.000 0.086 0.000 1.223 229 A HN 0.847 nan 8.150 nan 0.000 0.425 230 N N 0.552 119.317 118.700 0.107 0.000 2.284 230 N HA 0.598 5.338 4.740 -0.000 0.000 0.300 230 N C -1.886 173.700 175.510 0.127 0.000 1.047 230 N CA -0.360 52.745 53.050 0.091 0.000 0.821 230 N CB 2.100 40.608 38.487 0.035 0.000 1.337 230 N HN 0.658 nan 8.380 nan 0.000 0.482 231 Y N 0.998 121.280 120.300 -0.030 0.000 2.386 231 Y HA 0.636 5.185 4.550 -0.000 0.000 0.334 231 Y C -0.688 175.087 175.900 -0.208 0.000 1.002 231 Y CA -0.493 57.561 58.100 -0.077 0.000 1.068 231 Y CB 1.456 39.913 38.460 -0.006 0.000 1.203 231 Y HN 0.562 nan 8.280 nan 0.000 0.443 232 G N 4.121 112.350 108.800 -0.952 0.000 2.690 232 G HA2 0.613 4.573 3.960 -0.000 0.000 0.293 232 G HA3 0.613 4.573 3.960 -0.000 0.000 0.293 232 G C -1.920 172.217 174.900 -1.272 0.000 1.399 232 G CA -0.969 43.450 45.100 -1.135 0.000 0.890 232 G HN 0.535 nan 8.290 nan 0.000 0.485 233 E N -0.173 119.123 120.200 -1.506 0.000 2.292 233 E HA 0.546 4.896 4.350 -0.000 0.000 0.272 233 E C -0.724 175.544 176.600 -0.554 0.000 0.881 233 E CA -0.816 55.054 56.400 -0.882 0.000 0.754 233 E CB 2.548 31.890 29.700 -0.597 0.000 1.201 233 E HN 0.633 nan 8.360 nan 0.000 0.425 234 T N 0.155 114.560 114.554 -0.248 0.000 2.885 234 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 234 T C -0.409 174.261 174.700 -0.049 0.000 1.019 234 T CA -1.006 61.022 62.100 -0.120 0.000 1.010 234 T CB 1.793 70.622 68.868 -0.065 0.000 1.022 234 T HN 0.258 nan 8.240 nan 0.000 0.466 235 R N 2.141 122.610 120.500 -0.051 0.000 2.388 235 R HA 0.433 4.773 4.340 -0.000 0.000 0.314 235 R C -0.219 176.019 176.300 -0.103 0.000 0.959 235 R CA -0.294 55.784 56.100 -0.037 0.000 0.851 235 R CB -0.278 30.022 30.300 0.000 0.000 1.168 235 R HN 0.801 nan 8.270 nan 0.000 0.472 236 N N 2.477 121.141 118.700 -0.060 0.000 2.721 236 N HA -0.262 4.478 4.740 -0.000 0.000 0.249 236 N C -0.312 175.065 175.510 -0.221 0.000 1.072 236 N CA 1.331 54.332 53.050 -0.082 0.000 0.710 236 N CB -1.140 37.285 38.487 -0.104 0.000 0.993 236 N HN 0.641 nan 8.380 nan 0.000 0.547 237 A N -1.481 121.270 122.820 -0.115 0.000 1.933 237 A HA 0.175 4.495 4.320 -0.000 0.000 0.198 237 A C 0.799 178.513 177.584 0.218 0.000 1.617 237 A CA 0.524 52.502 52.037 -0.098 0.000 1.039 237 A CB 0.195 19.081 19.000 -0.190 0.000 1.066 237 A HN 0.183 nan 8.150 nan 0.000 0.484 238 T N 4.523 119.175 114.554 0.164 0.000 2.784 238 T HA 0.350 4.699 4.350 -0.000 0.000 0.291 238 T C -2.659 172.087 174.700 0.077 0.000 0.942 238 T CA -0.521 61.615 62.100 0.061 0.000 1.161 238 T CB 0.622 69.513 68.868 0.038 0.000 0.885 238 T HN 0.240 nan 8.240 nan 0.000 0.534 239 P HA 0.290 nan 4.420 nan 0.000 0.276 239 P C -0.508 176.591 177.300 -0.336 0.000 1.253 239 P CA -0.300 62.589 63.100 -0.352 0.000 0.766 239 P CB 0.166 31.626 31.700 -0.400 0.000 0.845 240 I N 0.396 120.792 120.570 -0.289 0.000 2.828 240 I HA 0.769 4.938 4.170 -0.000 0.000 0.302 240 I C -0.604 175.415 176.117 -0.164 0.000 1.101 240 I CA -0.906 60.295 61.300 -0.164 0.000 1.031 240 I CB 2.733 40.688 38.000 -0.075 0.000 1.231 240 I HN 0.212 nan 8.210 nan 0.000 0.427 241 T N 0.201 114.695 114.554 -0.100 0.000 2.886 241 T HA 0.401 4.751 4.350 -0.000 0.000 0.292 241 T C -0.774 173.906 174.700 -0.034 0.000 1.012 241 T CA -0.747 61.304 62.100 -0.083 0.000 0.982 241 T CB 1.554 70.368 68.868 -0.091 0.000 1.018 241 T HN 0.690 nan 8.240 nan 0.000 0.451 242 N N 2.066 120.758 118.700 -0.013 0.000 2.414 242 N HA 0.188 4.928 4.740 -0.000 0.000 0.256 242 N C 0.737 176.252 175.510 0.009 0.000 1.029 242 N CA -0.504 52.571 53.050 0.042 0.000 0.948 242 N CB 1.191 39.723 38.487 0.075 0.000 1.102 242 N HN 0.500 nan 8.380 nan 0.000 0.496 243 K N 2.971 123.339 120.400 -0.053 0.000 2.366 243 K HA 0.006 4.325 4.320 -0.000 0.000 0.198 243 K C 1.010 177.452 176.600 -0.263 0.000 1.044 243 K CA 0.676 56.841 56.287 -0.204 0.000 0.973 243 K CB 0.085 32.385 32.500 -0.332 0.000 0.767 243 K HN 0.493 nan 8.250 nan 0.000 0.475 244 F N 0.908 120.854 119.950 -0.006 0.000 2.179 244 F HA -0.089 4.438 4.527 -0.000 0.000 0.292 244 F C 2.480 178.277 175.800 -0.005 0.000 1.089 244 F CA 1.314 59.312 58.000 -0.003 0.000 1.295 244 F CB -0.689 38.311 39.000 0.001 0.000 1.041 244 F HN -0.013 nan 8.300 nan 0.000 0.487 245 T N -3.288 111.376 114.554 0.184 0.000 3.107 245 T HA 0.107 4.457 4.350 -0.000 0.000 0.249 245 T C 0.632 175.358 174.700 0.044 0.000 1.096 245 T CA 0.322 62.479 62.100 0.095 0.000 1.012 245 T CB -0.593 68.321 68.868 0.077 0.000 0.977 245 T HN 0.200 nan 8.240 nan 0.000 0.527 246 N N 1.931 120.646 118.700 0.024 0.000 2.725 246 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 246 N C -0.527 174.975 175.510 -0.013 0.000 1.031 246 N CA 1.122 54.166 53.050 -0.009 0.000 0.720 246 N CB -1.528 36.951 38.487 -0.012 0.000 0.930 246 N HN 0.885 nan 8.380 nan 0.000 0.543 247 T N -3.070 111.478 114.554 -0.011 0.000 2.863 247 T HA 0.720 5.070 4.350 -0.000 0.000 0.285 247 T C -0.056 174.614 174.700 -0.049 0.000 1.009 247 T CA -0.579 61.508 62.100 -0.022 0.000 0.989 247 T CB 2.115 70.980 68.868 -0.005 0.000 1.004 247 T HN 0.171 nan 8.240 nan 0.000 0.455 248 S N 0.491 116.146 115.700 -0.075 0.000 2.648 248 S HA 0.979 5.449 4.470 -0.000 0.000 0.305 248 S C 0.190 174.691 174.600 -0.166 0.000 1.094 248 S CA 0.350 58.469 58.200 -0.135 0.000 0.983 248 S CB 1.142 64.249 63.200 -0.154 0.000 1.101 248 S HN 1.565 nan 8.310 nan 0.000 0.514 249 G N 1.365 109.983 108.800 -0.302 0.000 2.512 249 G HA2 0.367 4.326 3.960 -0.000 0.000 0.181 249 G HA3 0.367 4.326 3.960 -0.000 0.000 0.181 249 G C -2.040 172.454 174.900 -0.677 0.000 1.173 249 G CA -0.583 44.300 45.100 -0.361 0.000 0.988 249 G HN 0.612 nan 8.290 nan 0.000 0.485 250 F N 0.720 120.662 119.950 -0.013 0.000 2.599 250 F HA 0.757 5.284 4.527 -0.000 0.000 0.311 250 F C 0.536 176.328 175.800 -0.014 0.000 1.076 250 F CA -0.369 57.620 58.000 -0.018 0.000 0.937 250 F CB 2.484 41.491 39.000 0.011 0.000 1.282 250 F HN 0.700 nan 8.300 nan 0.000 0.460 251 A N 1.781 124.705 122.820 0.172 0.000 2.328 251 A HA 0.339 4.659 4.320 -0.000 0.000 0.284 251 A C 0.715 178.352 177.584 0.088 0.000 1.160 251 A CA -0.560 51.533 52.037 0.095 0.000 0.818 251 A CB 0.231 19.266 19.000 0.058 0.000 1.087 251 A HN 0.856 nan 8.150 nan 0.000 0.504 252 N N 0.999 119.738 118.700 0.065 0.000 2.142 252 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 252 N C -0.008 175.522 175.510 0.034 0.000 1.023 252 N CA 1.298 54.376 53.050 0.047 0.000 0.852 252 N CB 0.003 38.516 38.487 0.043 0.000 0.998 252 N HN 0.644 nan 8.380 nan 0.000 0.424 253 K N 0.160 120.580 120.400 0.034 0.000 2.513 253 K HA 0.284 4.604 4.320 -0.000 0.000 0.251 253 K C -1.125 175.484 176.600 0.014 0.000 0.939 253 K CA -0.428 55.875 56.287 0.026 0.000 0.793 253 K CB 2.436 34.959 32.500 0.039 0.000 1.241 253 K HN -0.002 nan 8.250 nan 0.000 0.431 254 T N -0.126 114.418 114.554 -0.016 0.000 2.886 254 T HA 0.401 4.750 4.350 -0.000 0.000 0.292 254 T C -0.765 173.877 174.700 -0.097 0.000 1.012 254 T CA -1.001 61.080 62.100 -0.033 0.000 0.982 254 T CB 1.730 70.586 68.868 -0.020 0.000 1.018 254 T HN 0.273 nan 8.240 nan 0.000 0.451 255 Q N 2.089 121.847 119.800 -0.070 0.000 2.340 255 Q HA 0.482 4.822 4.340 -0.000 0.000 0.259 255 Q C -1.070 174.852 176.000 -0.130 0.000 0.964 255 Q CA -0.343 55.393 55.803 -0.112 0.000 0.900 255 Q CB 1.125 29.890 28.738 0.046 0.000 1.228 255 Q HN 0.582 nan 8.270 nan 0.000 0.449 256 D N 2.295 122.526 120.400 -0.282 0.000 2.425 256 D HA 0.337 4.977 4.640 -0.000 0.000 0.240 256 D C -0.925 175.292 176.300 -0.138 0.000 1.080 256 D CA -0.303 53.574 54.000 -0.206 0.000 0.836 256 D CB 1.716 42.379 40.800 -0.230 0.000 1.125 256 D HN 0.140 nan 8.370 nan 0.000 0.525 257 V N 3.365 123.247 119.914 -0.053 0.000 2.448 257 V HA 0.413 4.532 4.120 -0.000 0.000 0.295 257 V C -0.525 175.511 176.094 -0.097 0.000 1.025 257 V CA -0.751 61.567 62.300 0.030 0.000 0.859 257 V CB 1.951 33.839 31.823 0.109 0.000 0.988 257 V HN 0.348 nan 8.190 nan 0.000 0.431 258 L N 6.293 127.495 121.223 -0.034 0.000 2.385 258 L HA 0.676 5.016 4.340 -0.000 0.000 0.273 258 L C -0.628 176.251 176.870 0.015 0.000 0.990 258 L CA -0.370 54.430 54.840 -0.066 0.000 0.821 258 L CB 1.764 43.797 42.059 -0.042 0.000 1.279 258 L HN 0.515 nan 8.230 nan 0.000 0.412 259 L N 3.595 124.829 121.223 0.017 0.000 2.409 259 L HA 0.763 5.103 4.340 -0.000 0.000 0.272 259 L C -0.783 176.129 176.870 0.070 0.000 0.980 259 L CA -0.650 54.233 54.840 0.071 0.000 0.826 259 L CB 2.676 44.810 42.059 0.126 0.000 1.268 259 L HN 0.208 nan 8.230 nan 0.000 0.407 260 V N 1.958 121.917 119.914 0.076 0.000 2.638 260 V HA 0.839 4.959 4.120 -0.000 0.000 0.306 260 V C -0.550 175.601 176.094 0.095 0.000 1.052 260 V CA -0.510 61.852 62.300 0.103 0.000 0.885 260 V CB 1.981 33.890 31.823 0.144 0.000 0.999 260 V HN 0.803 nan 8.190 nan 0.000 0.424 261 A N 4.509 127.397 122.820 0.113 0.000 2.385 261 A HA 0.862 5.181 4.320 -0.000 0.000 0.290 261 A C -0.863 176.797 177.584 0.126 0.000 1.094 261 A CA -0.510 51.588 52.037 0.103 0.000 0.729 261 A CB 1.437 20.487 19.000 0.082 0.000 1.194 261 A HN 0.770 nan 8.150 nan 0.000 0.442 262 Q N 0.475 120.361 119.800 0.144 0.000 2.389 262 Q HA 0.519 4.859 4.340 -0.000 0.000 0.277 262 Q C -2.018 174.058 176.000 0.126 0.000 1.082 262 Q CA -0.630 55.249 55.803 0.127 0.000 0.810 262 Q CB 3.099 31.895 28.738 0.097 0.000 1.374 262 Q HN 0.752 nan 8.270 nan 0.000 0.422 263 Y N 1.018 121.277 120.300 -0.068 0.000 2.425 263 Y HA 0.355 4.905 4.550 -0.000 0.000 0.344 263 Y C -1.120 174.624 175.900 -0.259 0.000 0.969 263 Y CA -0.698 57.282 58.100 -0.199 0.000 1.052 263 Y CB 2.022 40.287 38.460 -0.325 0.000 1.215 263 Y HN 0.517 nan 8.280 nan 0.000 0.451 264 Q N 5.208 124.520 119.800 -0.814 0.000 2.400 264 Q HA 0.380 4.719 4.340 -0.000 0.000 0.255 264 Q C -1.872 173.709 176.000 -0.698 0.000 1.008 264 Q CA -0.241 55.220 55.803 -0.571 0.000 0.841 264 Q CB 0.173 28.668 28.738 -0.406 0.000 1.220 264 Q HN 0.579 nan 8.270 nan 0.000 0.474 265 F N 1.739 121.491 119.950 -0.331 0.000 2.410 265 F HA 0.096 4.623 4.527 -0.000 0.000 0.334 265 F C 1.409 177.010 175.800 -0.331 0.000 1.134 265 F CA -0.021 57.815 58.000 -0.272 0.000 1.227 265 F CB 0.836 39.511 39.000 -0.542 0.000 1.194 265 F HN 0.645 nan 8.300 nan 0.000 0.571 266 D N 1.056 121.511 120.400 0.093 0.000 2.269 266 D HA -0.183 4.457 4.640 -0.000 0.000 0.208 266 D C 1.695 178.046 176.300 0.085 0.000 0.963 266 D CA 1.162 55.205 54.000 0.073 0.000 0.864 266 D CB -0.156 40.737 40.800 0.155 0.000 0.936 266 D HN 0.409 nan 8.370 nan 0.000 0.505 267 F N -1.922 118.081 119.950 0.090 0.000 2.797 267 F HA 0.407 4.934 4.527 -0.000 0.000 0.302 267 F C 1.191 176.928 175.800 -0.104 0.000 1.130 267 F CA 0.243 58.255 58.000 0.019 0.000 1.387 267 F CB -0.130 38.893 39.000 0.038 0.000 1.107 267 F HN -0.064 nan 8.300 nan 0.000 0.577 268 G N 1.484 109.977 108.800 -0.512 0.000 2.526 268 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.225 268 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.225 268 G C -1.257 173.155 174.900 -0.814 0.000 1.120 268 G CA -0.172 44.581 45.100 -0.579 0.000 0.904 268 G HN 0.532 nan 8.290 nan 0.000 0.498 269 L N 0.047 120.875 121.223 -0.658 0.000 2.409 269 L HA 0.838 5.178 4.340 -0.000 0.000 0.272 269 L C -0.055 176.758 176.870 -0.095 0.000 0.980 269 L CA -1.041 53.593 54.840 -0.343 0.000 0.826 269 L CB 1.711 43.594 42.059 -0.293 0.000 1.268 269 L HN 0.262 nan 8.230 nan 0.000 0.407 270 R N 6.807 127.235 120.500 -0.120 0.000 2.363 270 R HA 0.498 4.838 4.340 -0.000 0.000 0.297 270 R C -2.660 173.657 176.300 0.027 0.000 1.208 270 R CA -1.709 54.350 56.100 -0.068 0.000 1.121 270 R CB 1.159 31.327 30.300 -0.221 0.000 1.124 270 R HN 0.400 nan 8.270 nan 0.000 0.561 271 P HA 0.033 nan 4.420 nan 0.000 0.271 271 P C -0.911 176.459 177.300 0.116 0.000 1.218 271 P CA -0.119 63.069 63.100 0.146 0.000 0.780 271 P CB 1.646 33.472 31.700 0.211 0.000 0.901 272 S N 2.226 117.995 115.700 0.115 0.000 2.647 272 S HA 0.609 5.079 4.470 -0.000 0.000 0.300 272 S C -0.869 173.813 174.600 0.136 0.000 1.129 272 S CA -0.627 57.640 58.200 0.112 0.000 1.029 272 S CB -0.197 63.058 63.200 0.091 0.000 1.007 272 S HN 0.173 nan 8.310 nan 0.000 0.484 273 I N 4.124 124.776 120.570 0.137 0.000 2.410 273 I HA 0.739 4.908 4.170 -0.000 0.000 0.286 273 I C 0.074 176.286 176.117 0.158 0.000 1.009 273 I CA -0.092 61.300 61.300 0.154 0.000 1.111 273 I CB 1.587 39.671 38.000 0.139 0.000 1.262 273 I HN 0.703 nan 8.210 nan 0.000 0.443 274 A N 5.063 127.991 122.820 0.180 0.000 2.527 274 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 274 A C -1.984 175.667 177.584 0.111 0.000 1.117 274 A CA -0.596 51.525 52.037 0.140 0.000 0.723 274 A CB 1.579 20.652 19.000 0.121 0.000 1.313 274 A HN 0.561 nan 8.150 nan 0.000 0.411 275 Y N 0.103 120.289 120.300 -0.189 0.000 2.457 275 Y HA 0.682 5.232 4.550 -0.000 0.000 0.343 275 Y C -0.736 174.862 175.900 -0.502 0.000 0.994 275 Y CA -0.315 57.489 58.100 -0.494 0.000 1.031 275 Y CB 2.384 40.541 38.460 -0.505 0.000 1.246 275 Y HN 0.630 nan 8.280 nan 0.000 0.449 276 T N 6.750 120.414 114.554 -1.483 0.000 2.937 276 T HA 0.371 4.720 4.350 -0.000 0.000 0.297 276 T C -1.545 172.411 174.700 -1.241 0.000 0.991 276 T CA -0.901 60.473 62.100 -1.210 0.000 0.990 276 T CB 1.007 69.171 68.868 -1.174 0.000 0.991 276 T HN 0.543 nan 8.240 nan 0.000 0.440 277 K N 2.062 121.970 120.400 -0.819 0.000 2.545 277 K HA 0.575 4.895 4.320 -0.000 0.000 0.252 277 K C -1.254 175.212 176.600 -0.224 0.000 0.948 277 K CA -0.499 55.502 56.287 -0.477 0.000 0.827 277 K CB 1.389 33.686 32.500 -0.338 0.000 1.128 277 K HN 0.539 nan 8.250 nan 0.000 0.429 278 S N 4.752 120.368 115.700 -0.140 0.000 2.745 278 S HA 0.318 4.788 4.470 -0.000 0.000 0.283 278 S C -1.425 173.168 174.600 -0.012 0.000 1.170 278 S CA -0.866 57.298 58.200 -0.059 0.000 1.119 278 S CB 0.284 63.470 63.200 -0.023 0.000 1.035 278 S HN 0.616 nan 8.310 nan 0.000 0.483 279 K N 2.831 123.229 120.400 -0.003 0.000 2.221 279 K HA 0.859 5.178 4.320 -0.000 0.000 0.258 279 K C -0.269 176.345 176.600 0.022 0.000 0.944 279 K CA -0.908 55.390 56.287 0.018 0.000 0.823 279 K CB 1.734 34.249 32.500 0.026 0.000 1.113 279 K HN 0.395 nan 8.250 nan 0.000 0.431 280 A N 3.099 125.938 122.820 0.032 0.000 2.279 280 A HA 0.515 4.835 4.320 -0.000 0.000 0.303 280 A C -0.776 176.828 177.584 0.034 0.000 1.108 280 A CA -0.717 51.339 52.037 0.032 0.000 0.830 280 A CB 0.644 19.666 19.000 0.037 0.000 1.106 280 A HN 0.799 nan 8.150 nan 0.000 0.493 281 K N 0.211 120.632 120.400 0.034 0.000 2.477 281 K HA 0.407 4.727 4.320 -0.000 0.000 0.255 281 K C -1.327 175.294 176.600 0.036 0.000 0.952 281 K CA -0.814 55.494 56.287 0.035 0.000 0.826 281 K CB 1.677 34.200 32.500 0.039 0.000 1.331 281 K HN 0.689 nan 8.250 nan 0.000 0.437 282 D N 0.265 120.685 120.400 0.033 0.000 2.837 282 D HA -0.139 4.500 4.640 -0.000 0.000 0.230 282 D C -0.324 175.996 176.300 0.033 0.000 1.152 282 D CA 0.680 54.699 54.000 0.032 0.000 0.736 282 D CB -1.400 39.419 40.800 0.033 0.000 1.084 282 D HN 0.121 nan 8.370 nan 0.000 0.429 283 V N 1.228 121.161 119.914 0.032 0.000 2.585 283 V HA -0.054 4.066 4.120 -0.000 0.000 0.296 283 V C 1.190 177.301 176.094 0.028 0.000 1.035 283 V CA -0.064 62.255 62.300 0.033 0.000 1.084 283 V CB 0.989 32.831 31.823 0.032 0.000 0.953 283 V HN 0.021 nan 8.190 nan 0.000 0.483 284 E N 4.189 124.407 120.200 0.029 0.000 2.463 284 E HA 0.134 4.484 4.350 -0.000 0.000 0.248 284 E C 1.318 177.930 176.600 0.020 0.000 1.106 284 E CA 0.967 57.382 56.400 0.025 0.000 0.946 284 E CB -0.055 29.661 29.700 0.028 0.000 0.971 284 E HN 1.089 nan 8.360 nan 0.000 0.478 285 G N 3.231 112.040 108.800 0.015 0.000 2.179 285 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 285 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 285 G C 0.709 175.612 174.900 0.004 0.000 0.977 285 G CA 0.261 45.366 45.100 0.009 0.000 0.641 285 G HN 0.492 nan 8.290 nan 0.000 0.533 286 I N -0.960 119.616 120.570 0.010 0.000 3.623 286 I HA 0.444 4.614 4.170 -0.000 0.000 0.253 286 I C 2.180 178.304 176.117 0.012 0.000 1.144 286 I CA 2.125 63.429 61.300 0.008 0.000 1.461 286 I CB -0.829 37.181 38.000 0.017 0.000 1.575 286 I HN 1.229 nan 8.210 nan 0.000 0.445 287 G N 1.431 110.242 108.800 0.019 0.000 3.110 287 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.238 287 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.238 287 G C -0.943 173.972 174.900 0.026 0.000 1.647 287 G CA -0.137 44.976 45.100 0.022 0.000 1.146 287 G HN 0.295 nan 8.290 nan 0.000 0.545 288 D N 1.401 121.817 120.400 0.026 0.000 2.349 288 D HA 0.577 5.217 4.640 -0.000 0.000 0.232 288 D C 0.136 176.456 176.300 0.032 0.000 1.071 288 D CA 0.446 54.464 54.000 0.030 0.000 0.832 288 D CB 1.817 42.635 40.800 0.031 0.000 1.086 288 D HN 1.095 nan 8.370 nan 0.000 0.504 289 V N -0.597 119.339 119.914 0.037 0.000 2.888 289 V HA 0.474 4.594 4.120 -0.000 0.000 0.309 289 V C -0.693 175.428 176.094 0.045 0.000 1.114 289 V CA -1.150 61.175 62.300 0.043 0.000 0.940 289 V CB 2.416 34.268 31.823 0.049 0.000 1.021 289 V HN 0.245 nan 8.190 nan 0.000 0.426 290 D N 3.269 123.698 120.400 0.048 0.000 2.348 290 D HA 0.385 5.025 4.640 -0.000 0.000 0.253 290 D C 0.829 177.164 176.300 0.058 0.000 1.161 290 D CA 0.037 54.064 54.000 0.046 0.000 0.876 290 D CB 2.515 43.341 40.800 0.043 0.000 1.160 290 D HN 0.544 nan 8.370 nan 0.000 0.459 291 L N 1.385 122.644 121.223 0.060 0.000 2.130 291 L HA 0.070 4.410 4.340 -0.000 0.000 0.200 291 L C 0.657 177.592 176.870 0.108 0.000 1.075 291 L CA 0.598 55.488 54.840 0.084 0.000 0.768 291 L CB 0.058 42.175 42.059 0.097 0.000 0.933 291 L HN 0.125 nan 8.230 nan 0.000 0.451 292 V N 0.527 120.494 119.914 0.088 0.000 2.483 292 V HA 0.462 4.582 4.120 -0.000 0.000 0.297 292 V C -1.078 175.008 176.094 -0.013 0.000 1.027 292 V CA -0.608 61.762 62.300 0.117 0.000 0.855 292 V CB 1.508 33.422 31.823 0.150 0.000 0.995 292 V HN 0.243 nan 8.190 nan 0.000 0.424 293 N N 4.089 122.798 118.700 0.015 0.000 2.572 293 N HA 0.549 5.288 4.740 -0.000 0.000 0.287 293 N C -1.420 174.059 175.510 -0.051 0.000 1.136 293 N CA -0.427 52.545 53.050 -0.129 0.000 0.900 293 N CB 1.842 40.305 38.487 -0.041 0.000 1.484 293 N HN 0.765 nan 8.380 nan 0.000 0.526 294 Y N 0.575 120.685 120.300 -0.317 0.000 2.741 294 Y HA 0.665 5.215 4.550 -0.000 0.000 0.339 294 Y C -1.982 173.734 175.900 -0.306 0.000 1.226 294 Y CA -1.332 56.608 58.100 -0.266 0.000 1.072 294 Y CB 0.714 38.912 38.460 -0.438 0.000 1.331 294 Y HN 0.102 nan 8.280 nan 0.000 0.453 295 F N 1.669 121.686 119.950 0.111 0.000 2.469 295 F HA 0.468 4.995 4.527 -0.000 0.000 0.332 295 F C 0.048 175.928 175.800 0.134 0.000 1.103 295 F CA -0.654 57.416 58.000 0.117 0.000 0.979 295 F CB 1.885 40.938 39.000 0.089 0.000 1.137 295 F HN 0.541 nan 8.300 nan 0.000 0.463 296 E N 3.162 123.547 120.200 0.309 0.000 2.151 296 E HA 0.494 4.844 4.350 -0.000 0.000 0.275 296 E C -1.752 174.960 176.600 0.187 0.000 0.936 296 E CA -0.401 56.126 56.400 0.212 0.000 0.777 296 E CB 1.820 31.680 29.700 0.268 0.000 1.108 296 E HN 0.428 nan 8.360 nan 0.000 0.401 297 V N 3.823 123.826 119.914 0.149 0.000 2.409 297 V HA 0.704 4.824 4.120 -0.000 0.000 0.290 297 V C 0.316 176.545 176.094 0.226 0.000 1.017 297 V CA -0.386 62.031 62.300 0.195 0.000 0.841 297 V CB 1.445 33.405 31.823 0.227 0.000 1.003 297 V HN 0.733 nan 8.190 nan 0.000 0.426 298 G N 2.955 111.871 108.800 0.192 0.000 2.727 298 G HA2 0.922 4.882 3.960 -0.000 0.000 0.289 298 G HA3 0.922 4.882 3.960 -0.000 0.000 0.289 298 G C -1.444 173.547 174.900 0.153 0.000 1.418 298 G CA -0.253 44.962 45.100 0.192 0.000 0.818 298 G HN 1.161 nan 8.290 nan 0.000 0.486 299 A N -0.309 122.601 122.820 0.150 0.000 2.488 299 A HA 0.800 5.120 4.320 -0.000 0.000 0.295 299 A C -0.578 177.075 177.584 0.115 0.000 1.045 299 A CA -0.469 51.638 52.037 0.117 0.000 0.703 299 A CB 1.549 20.620 19.000 0.118 0.000 1.271 299 A HN 0.947 nan 8.150 nan 0.000 0.400 300 T N 1.422 115.986 114.554 0.018 0.000 2.829 300 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 300 T C -1.303 173.301 174.700 -0.161 0.000 0.999 300 T CA -0.092 61.974 62.100 -0.057 0.000 0.983 300 T CB 0.980 69.692 68.868 -0.260 0.000 0.968 300 T HN 0.524 nan 8.240 nan 0.000 0.446 301 Y N 3.087 123.249 120.300 -0.230 0.000 2.376 301 Y HA 0.468 5.018 4.550 -0.000 0.000 0.326 301 Y C -1.496 174.246 175.900 -0.262 0.000 0.970 301 Y CA -1.295 56.625 58.100 -0.300 0.000 1.248 301 Y CB 0.602 38.895 38.460 -0.279 0.000 1.117 301 Y HN 0.558 nan 8.280 nan 0.000 0.476 302 Y N 6.649 126.705 120.300 -0.407 0.000 2.404 302 Y HA 0.177 4.727 4.550 -0.000 0.000 0.344 302 Y C 0.383 176.060 175.900 -0.371 0.000 0.995 302 Y CA -1.018 56.934 58.100 -0.247 0.000 1.201 302 Y CB 0.140 38.498 38.460 -0.170 0.000 1.151 302 Y HN 0.669 nan 8.280 nan 0.000 0.517 303 F N 1.178 121.247 119.950 0.198 0.000 2.163 303 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 303 F C 0.858 176.719 175.800 0.101 0.000 1.094 303 F CA 1.189 59.298 58.000 0.181 0.000 1.290 303 F CB -0.084 39.058 39.000 0.236 0.000 1.017 303 F HN 0.544 nan 8.300 nan 0.000 0.483 304 N N -0.958 117.903 118.700 0.270 0.000 3.633 304 N HA 0.118 4.858 4.740 -0.000 0.000 0.344 304 N C -0.038 175.467 175.510 -0.007 0.000 1.627 304 N CA -0.544 52.574 53.050 0.113 0.000 0.754 304 N CB -0.042 38.514 38.487 0.115 0.000 2.450 304 N HN -0.045 nan 8.380 nan 0.000 0.592 305 K N -1.029 119.337 120.400 -0.057 0.000 2.459 305 K HA 0.269 4.589 4.320 -0.000 0.000 0.193 305 K C -0.059 176.449 176.600 -0.152 0.000 1.030 305 K CA 0.875 57.068 56.287 -0.158 0.000 1.026 305 K CB -0.275 32.153 32.500 -0.122 0.000 0.809 305 K HN 0.412 nan 8.250 nan 0.000 0.504 306 N N -0.538 118.120 118.700 -0.070 0.000 2.516 306 N HA 0.112 4.851 4.740 -0.000 0.000 0.197 306 N C -0.429 175.049 175.510 -0.052 0.000 1.064 306 N CA -0.191 52.787 53.050 -0.121 0.000 0.866 306 N CB 0.408 38.855 38.487 -0.067 0.000 1.255 306 N HN 0.009 nan 8.380 nan 0.000 0.447 307 M N 1.021 120.707 119.600 0.144 0.000 2.364 307 M HA 0.456 4.936 4.480 -0.000 0.000 0.334 307 M C -1.356 175.233 176.300 0.481 0.000 1.107 307 M CA -0.691 54.789 55.300 0.301 0.000 0.988 307 M CB 1.547 34.313 32.600 0.277 0.000 1.673 307 M HN 0.113 nan 8.290 nan 0.000 0.441 308 S N 1.340 117.352 115.700 0.521 0.000 2.550 308 S HA 0.936 5.406 4.470 -0.000 0.000 0.270 308 S C -1.060 173.858 174.600 0.529 0.000 1.145 308 S CA -0.698 57.857 58.200 0.592 0.000 0.852 308 S CB 1.544 65.098 63.200 0.590 0.000 1.119 308 S HN 0.849 nan 8.310 nan 0.000 0.465 309 T N -0.222 114.613 114.554 0.467 0.000 2.886 309 T HA 0.791 5.141 4.350 -0.000 0.000 0.292 309 T C -1.102 173.766 174.700 0.281 0.000 1.012 309 T CA -0.735 61.552 62.100 0.312 0.000 0.982 309 T CB 1.054 70.107 68.868 0.308 0.000 1.018 309 T HN 1.405 nan 8.240 nan 0.000 0.451 310 Y N -0.476 119.909 120.300 0.140 0.000 2.534 310 Y HA 0.798 5.347 4.550 -0.000 0.000 0.345 310 Y C -1.838 174.130 175.900 0.114 0.000 1.031 310 Y CA -1.665 56.495 58.100 0.101 0.000 1.022 310 Y CB 1.203 39.711 38.460 0.080 0.000 1.292 310 Y HN 0.519 nan 8.280 nan 0.000 0.459 311 V N 2.721 122.792 119.914 0.262 0.000 2.407 311 V HA 0.342 4.462 4.120 -0.000 0.000 0.291 311 V C -1.347 174.925 176.094 0.298 0.000 1.018 311 V CA -0.426 62.005 62.300 0.218 0.000 0.842 311 V CB 1.367 33.266 31.823 0.127 0.000 0.996 311 V HN 0.821 nan 8.190 nan 0.000 0.426 312 D N 3.332 123.944 120.400 0.353 0.000 2.440 312 D HA 0.382 5.022 4.640 -0.000 0.000 0.239 312 D C -1.337 175.203 176.300 0.400 0.000 1.084 312 D CA -0.200 54.016 54.000 0.360 0.000 0.843 312 D CB 1.097 42.112 40.800 0.359 0.000 1.097 312 D HN 0.456 nan 8.370 nan 0.000 0.531 313 Y N 4.385 124.794 120.300 0.181 0.000 2.335 313 Y HA 0.571 5.121 4.550 -0.000 0.000 0.338 313 Y C -1.495 174.434 175.900 0.048 0.000 0.977 313 Y CA -1.175 56.991 58.100 0.111 0.000 1.114 313 Y CB 0.626 39.136 38.460 0.083 0.000 1.182 313 Y HN 0.260 nan 8.280 nan 0.000 0.463 314 I N 7.328 127.583 120.570 -0.524 0.000 2.354 314 I HA 0.334 4.503 4.170 -0.000 0.000 0.292 314 I C -0.596 175.016 176.117 -0.842 0.000 0.989 314 I CA -0.499 60.378 61.300 -0.704 0.000 1.188 314 I CB 1.338 38.721 38.000 -1.029 0.000 1.342 314 I HN 0.506 nan 8.210 nan 0.000 0.457 315 I N 6.115 126.341 120.570 -0.572 0.000 2.276 315 I HA 0.214 4.383 4.170 -0.000 0.000 0.290 315 I C 0.321 176.385 176.117 -0.088 0.000 1.109 315 I CA -0.473 60.638 61.300 -0.315 0.000 1.229 315 I CB -0.240 37.688 38.000 -0.120 0.000 1.452 315 I HN 0.446 nan 8.210 nan 0.000 0.497 316 N N 5.075 123.696 118.700 -0.132 0.000 2.438 316 N HA -0.009 4.731 4.740 -0.000 0.000 0.267 316 N C 0.806 176.345 175.510 0.049 0.000 1.222 316 N CA 0.391 53.406 53.050 -0.058 0.000 0.930 316 N CB 0.873 39.321 38.487 -0.065 0.000 1.083 316 N HN 0.441 nan 8.380 nan 0.000 0.476 317 Q N 2.570 122.427 119.800 0.096 0.000 2.360 317 Q HA 0.195 4.535 4.340 -0.000 0.000 0.202 317 Q C 0.121 176.176 176.000 0.091 0.000 0.915 317 Q CA -0.050 55.826 55.803 0.122 0.000 0.943 317 Q CB 0.470 29.315 28.738 0.179 0.000 1.064 317 Q HN 0.654 nan 8.270 nan 0.000 0.511 318 I N 2.490 123.107 120.570 0.078 0.000 2.598 318 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 318 I C 0.474 176.635 176.117 0.074 0.000 1.140 318 I CA 0.125 61.471 61.300 0.076 0.000 1.420 318 I CB 0.402 38.453 38.000 0.085 0.000 1.387 318 I HN -0.144 nan 8.210 nan 0.000 0.553 319 D N 3.792 124.235 120.400 0.072 0.000 2.377 319 D HA 0.040 4.680 4.640 -0.000 0.000 0.245 319 D C 1.143 177.489 176.300 0.075 0.000 1.196 319 D CA -0.012 54.029 54.000 0.068 0.000 0.962 319 D CB 1.048 41.885 40.800 0.062 0.000 1.127 319 D HN 0.599 nan 8.370 nan 0.000 0.471 320 S N -0.451 115.293 115.700 0.073 0.000 2.522 320 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 320 S C 0.856 175.517 174.600 0.101 0.000 0.986 320 S CA 0.362 58.613 58.200 0.085 0.000 0.929 320 S CB 0.098 63.343 63.200 0.074 0.000 0.769 320 S HN 0.325 nan 8.310 nan 0.000 0.529 321 D N 1.995 122.444 120.400 0.080 0.000 2.269 321 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 321 D C 0.555 176.903 176.300 0.080 0.000 0.963 321 D CA 0.224 54.263 54.000 0.066 0.000 0.864 321 D CB -0.637 40.188 40.800 0.042 0.000 0.936 321 D HN 0.409 nan 8.370 nan 0.000 0.505 322 N N 2.007 120.771 118.700 0.108 0.000 2.047 322 N HA -0.168 4.572 4.740 -0.000 0.000 0.292 322 N C 0.831 176.448 175.510 0.179 0.000 1.356 322 N CA 0.467 53.594 53.050 0.128 0.000 0.836 322 N CB 0.505 39.073 38.487 0.135 0.000 1.113 322 N HN 0.170 nan 8.380 nan 0.000 0.495 323 K N 3.573 124.031 120.400 0.098 0.000 2.217 323 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 323 K C 1.728 178.432 176.600 0.174 0.000 1.051 323 K CA 0.839 57.144 56.287 0.029 0.000 0.952 323 K CB 0.267 32.756 32.500 -0.018 0.000 0.736 323 K HN 0.523 nan 8.250 nan 0.000 0.453 324 L N -0.720 120.635 121.223 0.221 0.000 2.102 324 L HA 0.022 4.362 4.340 -0.000 0.000 0.202 324 L C 1.120 178.168 176.870 0.297 0.000 1.076 324 L CA 1.001 55.983 54.840 0.237 0.000 0.761 324 L CB 0.032 42.161 42.059 0.116 0.000 0.921 324 L HN 0.463 nan 8.230 nan 0.000 0.444 325 G N -0.047 108.899 108.800 0.242 0.000 2.247 325 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.111 325 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.111 325 G C -0.287 174.606 174.900 -0.011 0.000 1.045 325 G CA -0.408 44.709 45.100 0.028 0.000 0.715 325 G HN -0.005 nan 8.290 nan 0.000 0.485 326 V N 0.586 120.532 119.914 0.053 0.000 2.686 326 V HA 0.643 4.763 4.120 -0.000 0.000 0.295 326 V C 1.653 177.775 176.094 0.047 0.000 1.055 326 V CA 0.126 62.453 62.300 0.046 0.000 1.050 326 V CB 1.368 33.235 31.823 0.074 0.000 0.984 326 V HN 0.899 nan 8.190 nan 0.000 0.482 327 G N 2.503 111.327 108.800 0.040 0.000 2.305 327 G HA2 0.253 4.213 3.960 -0.000 0.000 0.243 327 G HA3 0.253 4.213 3.960 -0.000 0.000 0.243 327 G C 0.890 175.833 174.900 0.072 0.000 1.288 327 G CA 0.349 45.476 45.100 0.046 0.000 0.901 327 G HN 1.053 nan 8.290 nan 0.000 0.516 328 S N 0.909 116.647 115.700 0.063 0.000 2.506 328 S HA 0.103 4.572 4.470 -0.000 0.000 0.219 328 S C 0.327 174.963 174.600 0.059 0.000 1.031 328 S CA -0.158 58.081 58.200 0.066 0.000 0.911 328 S CB 0.347 63.587 63.200 0.066 0.000 0.812 328 S HN 0.474 nan 8.310 nan 0.000 0.497 329 D N 2.728 123.164 120.400 0.059 0.000 2.344 329 D HA 0.465 5.105 4.640 -0.000 0.000 0.244 329 D C -0.638 175.695 176.300 0.055 0.000 1.134 329 D CA -0.139 53.898 54.000 0.062 0.000 0.930 329 D CB 0.371 41.212 40.800 0.068 0.000 1.175 329 D HN 0.132 nan 8.370 nan 0.000 0.437 330 D N -0.278 120.160 120.400 0.064 0.000 2.344 330 D HA 0.340 4.979 4.640 -0.000 0.000 0.244 330 D C -0.352 175.999 176.300 0.084 0.000 1.134 330 D CA 0.190 54.216 54.000 0.043 0.000 0.930 330 D CB 0.686 41.565 40.800 0.132 0.000 1.175 330 D HN 0.062 nan 8.370 nan 0.000 0.437 331 T N 0.377 114.946 114.554 0.025 0.000 2.881 331 T HA 0.447 4.797 4.350 -0.000 0.000 0.291 331 T C -0.662 174.130 174.700 0.153 0.000 0.990 331 T CA -0.697 61.443 62.100 0.067 0.000 0.976 331 T CB 1.132 69.972 68.868 -0.046 0.000 0.970 331 T HN 0.022 nan 8.240 nan 0.000 0.438 332 V N 2.349 122.446 119.914 0.304 0.000 2.398 332 V HA 0.835 4.955 4.120 -0.000 0.000 0.286 332 V C 0.089 176.420 176.094 0.395 0.000 1.026 332 V CA -0.933 61.605 62.300 0.396 0.000 0.868 332 V CB 1.203 33.225 31.823 0.331 0.000 0.982 332 V HN 1.065 nan 8.190 nan 0.000 0.443 333 A N 4.756 127.776 122.820 0.333 0.000 2.319 333 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 333 A C -0.814 176.933 177.584 0.271 0.000 1.152 333 A CA -0.525 51.642 52.037 0.217 0.000 0.783 333 A CB 1.432 20.371 19.000 -0.102 0.000 1.184 333 A HN 0.683 nan 8.150 nan 0.000 0.474 334 V N 2.031 122.126 119.914 0.301 0.000 2.448 334 V HA 0.797 4.917 4.120 -0.000 0.000 0.295 334 V C 0.570 176.637 176.094 -0.045 0.000 1.025 334 V CA -0.025 62.354 62.300 0.131 0.000 0.859 334 V CB 1.660 33.628 31.823 0.241 0.000 0.988 334 V HN 1.189 nan 8.190 nan 0.000 0.431 335 G N 3.760 112.271 108.800 -0.481 0.000 2.662 335 G HA2 0.721 4.681 3.960 -0.000 0.000 0.302 335 G HA3 0.721 4.681 3.960 -0.000 0.000 0.302 335 G C -1.573 173.048 174.900 -0.465 0.000 1.389 335 G CA -0.570 44.201 45.100 -0.547 0.000 0.998 335 G HN 0.728 nan 8.290 nan 0.000 0.502 336 I N 2.239 122.727 120.570 -0.137 0.000 2.362 336 I HA 0.651 4.821 4.170 -0.000 0.000 0.289 336 I C -0.980 175.187 176.117 0.084 0.000 0.994 336 I CA -0.846 60.465 61.300 0.019 0.000 1.158 336 I CB 1.558 39.590 38.000 0.054 0.000 1.315 336 I HN 0.197 nan 8.210 nan 0.000 0.451 337 V N 7.963 127.990 119.914 0.188 0.000 2.487 337 V HA 0.329 4.448 4.120 -0.000 0.000 0.298 337 V C -1.007 175.233 176.094 0.245 0.000 1.028 337 V CA -0.679 61.742 62.300 0.201 0.000 0.860 337 V CB 1.522 33.497 31.823 0.252 0.000 0.991 337 V HN 0.614 nan 8.190 nan 0.000 0.427 338 Y N 5.058 125.418 120.300 0.101 0.000 2.360 338 Y HA 0.695 5.245 4.550 -0.000 0.000 0.337 338 Y C -0.011 175.970 175.900 0.134 0.000 1.039 338 Y CA -0.384 57.785 58.100 0.115 0.000 1.109 338 Y CB 1.579 40.096 38.460 0.095 0.000 1.201 338 Y HN 0.761 nan 8.280 nan 0.000 0.458 339 Q N 5.781 125.220 119.800 -0.602 0.000 2.421 339 Q HA 0.639 4.979 4.340 -0.000 0.000 0.280 339 Q C -1.848 173.852 176.000 -0.500 0.000 1.085 339 Q CA -0.920 54.636 55.803 -0.412 0.000 0.807 339 Q CB 2.835 31.447 28.738 -0.209 0.000 1.405 339 Q HN 0.649 nan 8.270 nan 0.000 0.419 340 F N 0.000 119.774 119.950 -0.294 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 340 F CA 0.000 57.912 58.000 -0.146 0.000 1.383 340 F CB 0.000 38.989 39.000 -0.018 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574