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 2hcn_1_A DATA FIRST_RESID 322 DATA SEQUENCE LVNGVVRLLS KPWDTITXXX XXXXXXXXXX XXXXXXXXXX XTKAPEPPEG DATA SEQUENCE VKYVLNETTN WLWAFLAREK RPRMCSREEF IRKVNSNAAX XXXXXXXXQW DATA SEQUENCE RSAREAVEDP KFWEMVDEER EAHLRGECHT CXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXRAIWFMWL GARFLEFEAL GFLNEDHWLG RKNSGGGVEG LGLQKLGYIL DATA SEQUENCE REVGTRPGGR IYADDTAGWD TRITRADLEN EAKVLELLDG EHRRLARAII DATA SEQUENCE ELTYRXXXXX XXXXXXXXXX XXXXXXXXXX XXSGQVVTYA LNTFTNLAVQ DATA SEQUENCE LVRMMEGEGV IGPDDVEKLT KGKGPKVRTW LSENGEERLS RMAVSGDDCV DATA SEQUENCE VKPLDDRFAT SLHFLNAMSK VRKDIQEWKP STGWYDWQQV PFCSNHFTEL DATA SEQUENCE IMKDGRTLVT PCRGQDELVG RARISPXXXX NVRDTACLAK SYAQMWLLLY DATA SEQUENCE FHRRDLRLMA NAICSAVPVN WVPTGRTTWS IHAGGEWMTT EDMLEVWNRV DATA SEQUENCE WIEENEWMED KTPVEKWSDV PYSGKREDIW CGSLIGTRAR ATWAENIQVA DATA SEQUENCE INQVRSIIGD EKYVDYMSSL K 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 322 L HA 0.000 nan 4.340 nan 0.000 0.249 322 L C 0.000 176.872 176.870 0.003 0.000 1.165 322 L CA 0.000 54.844 54.840 0.007 0.000 0.813 322 L CB 0.000 42.068 42.059 0.015 0.000 0.961 323 V N 0.846 120.761 119.914 0.002 0.000 2.607 323 V HA 0.378 4.499 4.120 0.002 0.000 0.289 323 V C 0.687 176.785 176.094 0.008 0.000 1.053 323 V CA -0.807 61.491 62.300 -0.003 0.000 0.996 323 V CB 1.417 33.240 31.823 -0.001 0.000 0.995 323 V HN 0.783 nan 8.190 nan 0.000 0.476 324 N N 3.243 121.942 118.700 -0.001 0.000 2.406 324 N HA 0.052 4.793 4.740 0.002 0.000 0.265 324 N C 1.277 176.798 175.510 0.019 0.000 1.203 324 N CA 0.661 53.720 53.050 0.014 0.000 0.945 324 N CB 1.506 39.990 38.487 -0.006 0.000 1.165 324 N HN 0.949 nan 8.380 nan 0.000 0.485 325 G N 2.515 111.336 108.800 0.036 0.000 2.625 325 G HA2 -0.099 3.862 3.960 0.002 0.000 0.214 325 G HA3 -0.099 3.862 3.960 0.002 0.000 0.214 325 G C 1.313 176.242 174.900 0.048 0.000 1.132 325 G CA 0.361 45.485 45.100 0.040 0.000 0.782 325 G HN 0.476 nan 8.290 nan 0.000 0.538 326 V N 0.185 120.130 119.914 0.052 0.000 2.391 326 V HA -0.071 4.050 4.120 0.002 0.000 0.237 326 V C 2.821 178.946 176.094 0.051 0.000 1.046 326 V CA 0.960 63.295 62.300 0.059 0.000 1.053 326 V CB -0.441 31.427 31.823 0.076 0.000 0.704 326 V HN 0.167 nan 8.190 nan 0.000 0.475 327 V N 0.999 120.928 119.914 0.025 0.000 2.439 327 V HA -0.324 3.797 4.120 0.002 0.000 0.253 327 V C 2.556 178.666 176.094 0.028 0.000 1.074 327 V CA 2.582 64.887 62.300 0.007 0.000 1.076 327 V CB -1.001 30.774 31.823 -0.081 0.000 0.664 327 V HN 0.523 nan 8.190 nan 0.000 0.461 328 R N -0.008 120.507 120.500 0.026 0.000 2.061 328 R HA -0.108 4.233 4.340 0.002 0.000 0.230 328 R C 2.350 178.695 176.300 0.075 0.000 1.140 328 R CA 1.718 57.842 56.100 0.040 0.000 0.940 328 R CB -0.322 29.995 30.300 0.029 0.000 0.839 328 R HN 0.447 nan 8.270 nan 0.000 0.429 329 L N 0.877 122.145 121.223 0.074 0.000 2.141 329 L HA -0.113 4.228 4.340 0.002 0.000 0.209 329 L C 1.953 178.904 176.870 0.135 0.000 1.094 329 L CA 0.814 55.707 54.840 0.089 0.000 0.763 329 L CB -0.048 42.050 42.059 0.064 0.000 0.908 329 L HN 0.300 nan 8.230 nan 0.000 0.437 330 L N -0.803 120.512 121.223 0.153 0.000 2.627 330 L HA 0.041 4.382 4.340 0.002 0.000 0.232 330 L C 0.656 177.786 176.870 0.432 0.000 1.150 330 L CA 0.002 54.987 54.840 0.241 0.000 0.917 330 L CB -0.132 42.032 42.059 0.174 0.000 1.104 330 L HN 0.217 nan 8.230 nan 0.000 0.445 331 S N -2.339 113.532 115.700 0.285 0.000 2.128 331 S HA 0.206 4.677 4.470 0.002 0.000 0.157 331 S C 0.889 175.646 174.600 0.262 0.000 1.650 331 S CA -0.781 57.564 58.200 0.241 0.000 1.269 331 S CB 0.676 63.873 63.200 -0.005 0.000 1.227 331 S HN 0.059 nan 8.310 nan 0.000 0.405 332 K N 1.958 122.514 120.400 0.260 0.000 2.032 332 K HA -0.025 4.296 4.320 0.002 0.000 0.209 332 K C -1.189 175.423 176.600 0.020 0.000 1.048 332 K CA 1.441 57.813 56.287 0.142 0.000 0.927 332 K CB -1.155 31.442 32.500 0.161 0.000 0.712 332 K HN 0.382 nan 8.250 nan 0.000 0.441 333 P HA -0.162 nan 4.420 nan 0.000 0.223 333 P C 0.524 177.513 177.300 -0.518 0.000 1.144 333 P CA 1.007 63.813 63.100 -0.489 0.000 0.783 333 P CB -0.063 31.001 31.700 -1.060 0.000 0.771 334 W N -1.148 120.007 121.300 -0.241 0.000 3.278 334 W HA 0.069 4.730 4.660 0.002 0.000 0.308 334 W C 0.885 177.329 176.519 -0.124 0.000 1.253 334 W CA -0.092 57.139 57.345 -0.190 0.000 1.759 334 W CB -0.179 29.158 29.460 -0.206 0.000 1.093 334 W HN 0.042 nan 8.180 nan 0.000 0.648 335 D N 0.674 121.109 120.400 0.058 0.000 2.137 335 D HA -0.172 4.469 4.640 0.002 0.000 0.189 335 D C 1.942 178.240 176.300 -0.004 0.000 0.998 335 D CA 2.448 56.464 54.000 0.026 0.000 0.839 335 D CB -0.506 40.297 40.800 0.007 0.000 0.962 335 D HN -0.060 nan 8.370 nan 0.000 0.446 336 T N -1.247 113.281 114.554 -0.043 0.000 3.330 336 T HA 0.331 4.682 4.350 0.002 0.000 0.249 336 T C 0.773 175.437 174.700 -0.060 0.000 0.980 336 T CA -0.225 61.845 62.100 -0.050 0.000 0.920 336 T CB -0.491 68.339 68.868 -0.063 0.000 1.065 336 T HN 0.010 nan 8.240 nan 0.000 0.588 337 I N 1.893 122.435 120.570 -0.047 0.000 2.607 337 I HA 0.559 4.730 4.170 0.002 0.000 0.305 337 I C 0.605 176.712 176.117 -0.016 0.000 0.995 337 I CA -0.947 60.328 61.300 -0.042 0.000 1.148 337 I CB 2.250 40.224 38.000 -0.044 0.000 1.323 337 I HN 0.275 nan 8.210 nan 0.000 0.461 364 K N 1.805 122.195 120.400 -0.017 0.000 4.144 364 K HA 0.845 5.166 4.320 0.002 0.000 0.297 364 K C 0.472 177.052 176.600 -0.032 0.000 1.142 364 K CA -0.251 56.022 56.287 -0.023 0.000 1.670 364 K CB 0.295 32.780 32.500 -0.025 0.000 3.147 364 K HN 0.875 nan 8.250 nan 0.000 0.874 365 A N 3.920 126.712 122.820 -0.047 0.000 1.773 365 A HA -0.083 4.238 4.320 0.002 0.000 0.341 365 A C -2.237 175.320 177.584 -0.046 0.000 0.848 365 A CA -0.051 51.950 52.037 -0.060 0.000 1.539 365 A CB -1.435 17.512 19.000 -0.087 0.000 0.635 365 A HN 0.215 nan 8.150 nan 0.000 0.205 366 P HA 0.102 nan 4.420 nan 0.000 0.265 366 P C 0.025 177.309 177.300 -0.028 0.000 1.193 366 P CA 0.015 63.099 63.100 -0.026 0.000 0.765 366 P CB 0.563 32.250 31.700 -0.021 0.000 0.823 367 E N 4.224 124.414 120.200 -0.018 0.000 2.502 367 E HA 0.023 4.374 4.350 0.002 0.000 0.261 367 E C -1.617 174.978 176.600 -0.008 0.000 0.974 367 E CA -0.958 55.437 56.400 -0.009 0.000 0.936 367 E CB -0.640 29.062 29.700 0.004 0.000 0.926 367 E HN 0.435 nan 8.360 nan 0.000 0.459 368 P HA 0.159 nan 4.420 nan 0.000 0.272 368 P C -2.380 174.918 177.300 -0.002 0.000 1.230 368 P CA -1.013 62.083 63.100 -0.007 0.000 0.788 368 P CB -0.334 31.372 31.700 0.011 0.000 0.949 369 P HA 0.100 nan 4.420 nan 0.000 0.274 369 P C 0.991 178.297 177.300 0.010 0.000 1.256 369 P CA -0.210 62.878 63.100 -0.019 0.000 0.795 369 P CB 0.781 32.447 31.700 -0.055 0.000 1.038 370 E N 0.528 120.742 120.200 0.024 0.000 2.070 370 E HA -0.199 4.152 4.350 0.002 0.000 0.197 370 E C 1.970 178.633 176.600 0.104 0.000 1.004 370 E CA 1.916 58.354 56.400 0.065 0.000 0.805 370 E CB -0.890 28.838 29.700 0.047 0.000 0.744 370 E HN 0.651 nan 8.360 nan 0.000 0.451 371 G N 0.407 109.241 108.800 0.057 0.000 2.421 371 G HA2 -0.222 3.739 3.960 0.002 0.000 0.216 371 G HA3 -0.222 3.739 3.960 0.002 0.000 0.216 371 G C 1.666 176.713 174.900 0.245 0.000 1.171 371 G CA 0.954 46.118 45.100 0.107 0.000 0.775 371 G HN 0.249 nan 8.290 nan 0.000 0.543 372 V N 0.732 120.701 119.914 0.092 0.000 2.358 372 V HA -0.120 4.001 4.120 0.002 0.000 0.246 372 V C 2.645 178.875 176.094 0.227 0.000 1.047 372 V CA 2.179 64.581 62.300 0.171 0.000 1.035 372 V CB -0.376 31.386 31.823 -0.101 0.000 0.658 372 V HN 0.414 nan 8.190 nan 0.000 0.452 373 K N -0.923 119.573 120.400 0.159 0.000 2.097 373 K HA -0.233 4.088 4.320 0.002 0.000 0.206 373 K C 2.197 178.911 176.600 0.189 0.000 1.049 373 K CA 1.700 58.077 56.287 0.150 0.000 0.933 373 K CB -0.286 32.282 32.500 0.113 0.000 0.717 373 K HN 0.523 nan 8.250 nan 0.000 0.442 374 Y N 0.628 120.994 120.300 0.111 0.000 2.163 374 Y HA -0.210 4.341 4.550 0.002 0.000 0.288 374 Y C 1.867 177.834 175.900 0.112 0.000 1.136 374 Y CA 1.441 59.605 58.100 0.106 0.000 1.147 374 Y CB -0.217 38.300 38.460 0.095 0.000 0.987 374 Y HN -0.179 nan 8.280 nan 0.000 0.509 375 V N 0.397 120.533 119.914 0.370 0.000 2.407 375 V HA -0.311 3.810 4.120 0.002 0.000 0.248 375 V C 2.475 178.637 176.094 0.112 0.000 1.055 375 V CA 1.877 64.305 62.300 0.212 0.000 1.049 375 V CB -0.735 31.173 31.823 0.141 0.000 0.662 375 V HN 0.475 nan 8.190 nan 0.000 0.455 376 L N 0.163 121.472 121.223 0.142 0.000 2.093 376 L HA -0.185 4.156 4.340 0.002 0.000 0.208 376 L C 2.475 179.409 176.870 0.106 0.000 1.085 376 L CA 1.795 56.704 54.840 0.115 0.000 0.755 376 L CB -0.552 41.585 42.059 0.130 0.000 0.904 376 L HN 0.529 nan 8.230 nan 0.000 0.435 377 N N -0.346 118.397 118.700 0.073 0.000 2.058 377 N HA -0.232 4.509 4.740 0.002 0.000 0.191 377 N C 1.565 177.107 175.510 0.054 0.000 1.037 377 N CA 1.292 54.371 53.050 0.048 0.000 0.848 377 N CB 0.154 38.611 38.487 -0.051 0.000 1.021 377 N HN 0.289 nan 8.380 nan 0.000 0.422 378 E N 0.339 120.529 120.200 -0.016 0.000 2.049 378 E HA -0.145 4.206 4.350 0.002 0.000 0.198 378 E C 2.037 178.736 176.600 0.166 0.000 1.007 378 E CA 1.365 57.793 56.400 0.047 0.000 0.809 378 E CB -0.962 28.754 29.700 0.027 0.000 0.749 378 E HN 0.449 nan 8.360 nan 0.000 0.450 379 T N 0.917 115.557 114.554 0.142 0.000 2.684 379 T HA -0.160 4.191 4.350 0.002 0.000 0.267 379 T C 2.057 176.899 174.700 0.236 0.000 1.036 379 T CA 2.451 64.656 62.100 0.174 0.000 1.148 379 T CB -0.553 68.362 68.868 0.079 0.000 0.863 379 T HN 0.444 nan 8.240 nan 0.000 0.436 380 T N 0.239 114.916 114.554 0.204 0.000 3.023 380 T HA 0.006 4.357 4.350 0.002 0.000 0.266 380 T C 1.855 176.812 174.700 0.428 0.000 1.093 380 T CA 0.702 62.968 62.100 0.277 0.000 1.129 380 T CB -0.267 68.812 68.868 0.353 0.000 0.899 380 T HN 0.140 nan 8.240 nan 0.000 0.491 381 N N 0.570 119.482 118.700 0.353 0.000 2.106 381 N HA 0.005 4.746 4.740 0.002 0.000 0.188 381 N C 1.148 176.865 175.510 0.345 0.000 1.029 381 N CA 1.087 54.341 53.050 0.340 0.000 0.848 381 N CB -0.676 37.950 38.487 0.232 0.000 1.007 381 N HN 0.635 nan 8.380 nan 0.000 0.423 382 W N 1.102 122.512 121.300 0.184 0.000 2.338 382 W HA -0.095 4.566 4.660 0.002 0.000 0.304 382 W C 1.993 178.643 176.519 0.218 0.000 1.212 382 W CA 0.900 58.346 57.345 0.168 0.000 1.264 382 W CB -0.430 29.095 29.460 0.109 0.000 1.142 382 W HN 0.075 nan 8.180 nan 0.000 0.512 383 L N -0.493 120.911 121.223 0.303 0.000 2.044 383 L HA -0.033 4.308 4.340 0.002 0.000 0.205 383 L C 2.071 179.067 176.870 0.209 0.000 1.075 383 L CA 2.026 56.955 54.840 0.148 0.000 0.747 383 L CB -1.408 40.681 42.059 0.050 0.000 0.903 383 L HN 0.144 nan 8.230 nan 0.000 0.435 384 W N -0.353 121.198 121.300 0.419 0.000 2.302 384 W HA -0.319 4.342 4.660 0.002 0.000 0.320 384 W C 2.558 179.154 176.519 0.128 0.000 1.241 384 W CA 1.429 58.956 57.345 0.303 0.000 1.264 384 W CB -0.516 29.071 29.460 0.212 0.000 1.154 384 W HN 0.298 nan 8.180 nan 0.000 0.483 385 A N -0.420 122.550 122.820 0.249 0.000 1.908 385 A HA -0.265 4.056 4.320 0.002 0.000 0.218 385 A C 1.715 179.248 177.584 -0.086 0.000 1.181 385 A CA 1.675 53.743 52.037 0.052 0.000 0.627 385 A CB -1.305 17.681 19.000 -0.023 0.000 0.818 385 A HN 0.396 nan 8.150 nan 0.000 0.445 386 F N 0.519 120.193 119.950 -0.459 0.000 2.171 386 F HA -0.095 4.434 4.527 0.002 0.000 0.300 386 F C 1.824 177.480 175.800 -0.240 0.000 1.090 386 F CA 1.529 59.216 58.000 -0.521 0.000 1.293 386 F CB -0.150 38.245 39.000 -1.009 0.000 1.013 386 F HN 0.132 nan 8.300 nan 0.000 0.486 387 L N -0.363 120.805 121.223 -0.092 0.000 2.156 387 L HA -0.046 4.295 4.340 0.002 0.000 0.208 387 L C 2.434 179.102 176.870 -0.337 0.000 1.095 387 L CA 0.945 55.714 54.840 -0.117 0.000 0.770 387 L CB -0.976 41.278 42.059 0.325 0.000 0.914 387 L HN 0.205 nan 8.230 nan 0.000 0.439 388 A N 0.485 123.258 122.820 -0.078 0.000 2.251 388 A HA -0.044 4.277 4.320 0.002 0.000 0.209 388 A C 2.235 179.696 177.584 -0.205 0.000 1.187 388 A CA 0.027 51.998 52.037 -0.110 0.000 0.823 388 A CB -0.467 18.656 19.000 0.206 0.000 0.846 388 A HN 0.455 nan 8.150 nan 0.000 0.486 389 R N -0.123 120.201 120.500 -0.293 0.000 2.120 389 R HA -0.088 4.253 4.340 0.002 0.000 0.234 389 R C 1.096 177.267 176.300 -0.216 0.000 1.123 389 R CA 1.867 57.825 56.100 -0.238 0.000 0.975 389 R CB -0.212 29.915 30.300 -0.289 0.000 0.866 389 R HN 0.565 nan 8.270 nan 0.000 0.446 390 E N 0.251 120.279 120.200 -0.285 0.000 2.357 390 E HA 0.144 4.495 4.350 0.002 0.000 0.202 390 E C -0.102 176.370 176.600 -0.212 0.000 0.855 390 E CA -0.167 56.097 56.400 -0.227 0.000 1.048 390 E CB 0.617 30.174 29.700 -0.238 0.000 1.037 390 E HN 0.174 nan 8.360 nan 0.000 0.499 391 K N 1.605 121.804 120.400 -0.334 0.000 2.154 391 K HA 0.299 4.620 4.320 0.002 0.000 0.264 391 K C -0.073 176.505 176.600 -0.036 0.000 1.008 391 K CA -0.279 55.861 56.287 -0.245 0.000 0.937 391 K CB 0.869 33.044 32.500 -0.540 0.000 1.002 391 K HN -0.139 nan 8.250 nan 0.000 0.469 392 R N 2.236 122.804 120.500 0.113 0.000 2.445 392 R HA 0.335 4.676 4.340 0.002 0.000 0.308 392 R C -2.547 173.848 176.300 0.158 0.000 0.961 392 R CA -2.218 53.961 56.100 0.132 0.000 0.862 392 R CB 0.939 31.255 30.300 0.027 0.000 1.144 392 R HN 0.456 nan 8.270 nan 0.000 0.447 393 P HA 0.133 nan 4.420 nan 0.000 0.269 393 P C -0.470 176.569 177.300 -0.436 0.000 1.209 393 P CA -0.170 62.496 63.100 -0.723 0.000 0.776 393 P CB 0.604 31.659 31.700 -1.075 0.000 0.876 394 R N 1.147 121.347 120.500 -0.501 0.000 2.799 394 R HA 0.673 5.014 4.340 0.002 0.000 0.270 394 R C -0.798 175.193 176.300 -0.514 0.000 1.010 394 R CA -1.022 54.876 56.100 -0.338 0.000 0.916 394 R CB 1.098 31.296 30.300 -0.170 0.000 1.228 394 R HN 0.219 nan 8.270 nan 0.000 0.469 395 M N 1.167 120.376 119.600 -0.651 0.000 2.235 395 M HA 0.306 4.787 4.480 0.002 0.000 0.351 395 M C -0.622 175.490 176.300 -0.313 0.000 1.178 395 M CA -0.541 54.415 55.300 -0.573 0.000 1.143 395 M CB 1.434 33.719 32.600 -0.525 0.000 1.530 395 M HN 0.564 nan 8.290 nan 0.000 0.461 396 C N 1.925 121.019 119.300 -0.344 0.000 2.401 396 C HA 0.480 4.941 4.460 0.002 0.000 0.365 396 C C 0.839 175.793 174.990 -0.060 0.000 1.250 396 C CA -0.853 57.987 59.018 -0.297 0.000 2.131 396 C CB 0.675 27.913 27.740 -0.836 0.000 2.445 396 C HN 0.938 nan 8.230 nan 0.000 0.550 397 S N 3.081 118.852 115.700 0.118 0.000 2.632 397 S HA 0.298 4.769 4.470 0.002 0.000 0.267 397 S C 0.973 175.836 174.600 0.438 0.000 1.276 397 S CA -0.585 57.735 58.200 0.200 0.000 0.998 397 S CB 0.608 63.866 63.200 0.097 0.000 0.953 397 S HN 0.755 nan 8.310 nan 0.000 0.547 398 R N 0.668 121.327 120.500 0.265 0.000 2.120 398 R HA -0.090 4.251 4.340 0.002 0.000 0.234 398 R C 1.756 178.120 176.300 0.107 0.000 1.123 398 R CA 1.619 57.740 56.100 0.034 0.000 0.975 398 R CB -0.498 29.349 30.300 -0.754 0.000 0.866 398 R HN 0.702 nan 8.270 nan 0.000 0.446 399 E N 1.213 121.455 120.200 0.070 0.000 2.072 399 E HA -0.159 4.192 4.350 0.002 0.000 0.191 399 E C 1.756 178.462 176.600 0.176 0.000 0.985 399 E CA 1.181 57.629 56.400 0.081 0.000 0.801 399 E CB -0.078 29.641 29.700 0.032 0.000 0.750 399 E HN 0.413 nan 8.360 nan 0.000 0.452 400 E N -0.255 120.110 120.200 0.276 0.000 2.110 400 E HA -0.169 4.182 4.350 0.002 0.000 0.193 400 E C 1.740 178.551 176.600 0.352 0.000 0.988 400 E CA 0.768 57.376 56.400 0.347 0.000 0.804 400 E CB -0.189 29.799 29.700 0.479 0.000 0.745 400 E HN 0.200 nan 8.360 nan 0.000 0.458 401 F N 1.353 121.479 119.950 0.292 0.000 2.113 401 F HA -0.138 4.390 4.527 0.001 0.000 0.297 401 F C 1.984 177.809 175.800 0.041 0.000 1.103 401 F CA 1.197 59.196 58.000 -0.003 0.000 1.248 401 F CB -0.155 39.085 39.000 0.400 0.000 0.999 401 F HN -0.110 nan 8.300 nan 0.000 0.475 402 I N 0.136 120.810 120.570 0.173 0.000 2.194 402 I HA -0.343 3.828 4.170 0.002 0.000 0.246 402 I C 2.716 178.801 176.117 -0.053 0.000 1.093 402 I CA 1.638 62.966 61.300 0.047 0.000 1.355 402 I CB -0.542 37.540 38.000 0.138 0.000 1.046 402 I HN 0.113 nan 8.210 nan 0.000 0.413 403 R N 1.138 121.637 120.500 -0.001 0.000 2.090 403 R HA -0.188 4.153 4.340 0.002 0.000 0.228 403 R C 2.259 178.538 176.300 -0.035 0.000 1.110 403 R CA 1.429 57.528 56.100 -0.002 0.000 0.973 403 R CB -0.031 30.296 30.300 0.045 0.000 0.869 403 R HN 0.207 nan 8.270 nan 0.000 0.440 404 K N -0.225 120.117 120.400 -0.097 0.000 2.296 404 K HA -0.005 4.316 4.320 0.002 0.000 0.200 404 K C 1.668 178.175 176.600 -0.154 0.000 1.048 404 K CA 0.564 56.774 56.287 -0.129 0.000 0.966 404 K CB 0.313 32.683 32.500 -0.217 0.000 0.754 404 K HN -0.005 nan 8.250 nan 0.000 0.466 405 V N 1.569 121.317 119.914 -0.276 0.000 2.488 405 V HA -0.155 3.966 4.120 0.002 0.000 0.246 405 V C 1.582 177.640 176.094 -0.060 0.000 1.046 405 V CA 1.490 63.660 62.300 -0.217 0.000 1.053 405 V CB -0.438 31.120 31.823 -0.441 0.000 0.679 405 V HN 0.383 nan 8.190 nan 0.000 0.458 406 N N 0.571 119.220 118.700 -0.085 0.000 2.216 406 N HA -0.043 4.698 4.740 0.002 0.000 0.183 406 N C 1.306 176.883 175.510 0.112 0.000 1.017 406 N CA 1.044 54.044 53.050 -0.083 0.000 0.861 406 N CB -0.256 38.185 38.487 -0.078 0.000 0.986 406 N HN 0.630 nan 8.380 nan 0.000 0.428 407 S N -0.004 115.789 115.700 0.155 0.000 2.641 407 S HA 0.192 4.663 4.470 0.002 0.000 0.261 407 S C 0.081 174.850 174.600 0.282 0.000 1.257 407 S CA -0.749 57.562 58.200 0.185 0.000 0.983 407 S CB 0.388 63.626 63.200 0.064 0.000 0.990 407 S HN 0.102 nan 8.310 nan 0.000 0.572 408 N N 0.700 119.430 118.700 0.049 0.000 2.406 408 N HA 0.442 5.183 4.740 0.002 0.000 0.269 408 N C 0.139 175.508 175.510 -0.235 0.000 1.210 408 N CA 0.147 53.069 53.050 -0.214 0.000 0.966 408 N CB 0.565 38.871 38.487 -0.301 0.000 1.293 408 N HN 0.720 nan 8.380 nan 0.000 0.491 409 A N 2.285 124.942 122.820 -0.272 0.000 2.503 409 A HA 0.691 5.012 4.320 0.002 0.000 0.263 409 A C 0.672 178.092 177.584 -0.274 0.000 1.258 409 A CA 0.285 52.217 52.037 -0.176 0.000 0.936 409 A CB -0.142 18.847 19.000 -0.019 0.000 1.070 409 A HN 0.759 nan 8.150 nan 0.000 0.522 421 W N 0.857 122.135 121.300 -0.036 0.000 2.905 421 W HA 0.156 4.818 4.660 0.004 0.000 0.251 421 W C 0.722 177.252 176.519 0.017 0.000 1.305 421 W CA 1.037 58.392 57.345 0.017 0.000 1.465 421 W CB 0.456 29.907 29.460 -0.014 0.000 1.122 421 W HN 0.041 nan 8.180 nan 0.000 0.659 422 R N -0.439 119.995 120.500 -0.110 0.000 2.404 422 R HA 0.101 4.442 4.340 0.002 0.000 0.237 422 R C 2.062 178.261 176.300 -0.168 0.000 0.907 422 R CA 0.811 56.742 56.100 -0.282 0.000 1.063 422 R CB 0.076 30.225 30.300 -0.252 0.000 1.134 422 R HN 0.147 nan 8.270 nan 0.000 0.529 423 S N 0.238 115.864 115.700 -0.123 0.000 2.501 423 S HA 0.110 4.581 4.470 0.002 0.000 0.220 423 S C 2.025 176.723 174.600 0.165 0.000 0.997 423 S CA 0.415 58.542 58.200 -0.121 0.000 0.919 423 S CB 0.425 63.386 63.200 -0.398 0.000 0.778 423 S HN 0.268 nan 8.310 nan 0.000 0.523 424 A N 2.954 125.942 122.820 0.280 0.000 1.897 424 A HA 0.036 4.357 4.320 0.002 0.000 0.215 424 A C 2.361 179.946 177.584 0.003 0.000 1.181 424 A CA 0.870 53.102 52.037 0.326 0.000 0.620 424 A CB -0.459 18.742 19.000 0.336 0.000 0.821 424 A HN 0.496 nan 8.150 nan 0.000 0.443 425 R N -0.114 120.314 120.500 -0.121 0.000 2.115 425 R HA -0.099 4.242 4.340 0.002 0.000 0.230 425 R C 1.917 178.155 176.300 -0.102 0.000 1.111 425 R CA 1.435 57.423 56.100 -0.185 0.000 0.976 425 R CB -0.286 29.814 30.300 -0.332 0.000 0.870 425 R HN 0.671 nan 8.270 nan 0.000 0.445 426 E N 0.822 120.985 120.200 -0.062 0.000 2.072 426 E HA -0.084 4.267 4.350 0.002 0.000 0.190 426 E C 2.110 178.731 176.600 0.035 0.000 0.982 426 E CA 0.892 57.284 56.400 -0.014 0.000 0.803 426 E CB -0.058 29.634 29.700 -0.014 0.000 0.755 426 E HN 0.316 nan 8.360 nan 0.000 0.453 427 A N 1.127 123.984 122.820 0.062 0.000 1.902 427 A HA -0.145 4.176 4.320 0.002 0.000 0.217 427 A C 2.468 179.872 177.584 -0.300 0.000 1.181 427 A CA 1.067 53.132 52.037 0.046 0.000 0.623 427 A CB -0.706 18.351 19.000 0.095 0.000 0.818 427 A HN 0.140 nan 8.150 nan 0.000 0.443 428 V N 0.400 120.137 119.914 -0.294 0.000 2.407 428 V HA -0.171 3.950 4.120 0.002 0.000 0.248 428 V C 2.361 178.585 176.094 0.216 0.000 1.055 428 V CA 2.147 64.377 62.300 -0.116 0.000 1.049 428 V CB -0.543 31.291 31.823 0.019 0.000 0.662 428 V HN 0.566 nan 8.190 nan 0.000 0.455 429 E N -0.550 119.719 120.200 0.115 0.000 2.285 429 E HA -0.050 4.301 4.350 0.002 0.000 0.194 429 E C 0.907 177.601 176.600 0.158 0.000 0.997 429 E CA 0.113 56.596 56.400 0.139 0.000 0.845 429 E CB -0.353 29.386 29.700 0.065 0.000 0.782 429 E HN 0.521 nan 8.360 nan 0.000 0.491 430 D N 1.916 122.399 120.400 0.138 0.000 2.401 430 D HA -0.007 4.633 4.640 0.002 0.000 0.254 430 D C -1.500 174.906 176.300 0.175 0.000 1.192 430 D CA -1.730 52.356 54.000 0.145 0.000 0.885 430 D CB 1.407 42.322 40.800 0.192 0.000 1.147 430 D HN -0.074 nan 8.370 nan 0.000 0.478 431 P HA -0.020 nan 4.420 nan 0.000 0.235 431 P C 1.009 178.362 177.300 0.089 0.000 1.177 431 P CA 0.424 63.657 63.100 0.221 0.000 0.785 431 P CB 0.491 32.271 31.700 0.134 0.000 0.885 432 K N -0.860 119.544 120.400 0.007 0.000 2.365 432 K HA -0.049 4.272 4.320 0.002 0.000 0.199 432 K C 1.728 178.130 176.600 -0.330 0.000 1.045 432 K CA 0.507 56.753 56.287 -0.068 0.000 0.962 432 K CB -0.654 31.875 32.500 0.047 0.000 0.759 432 K HN -0.030 nan 8.250 nan 0.000 0.469 433 F N -0.819 118.671 119.950 -0.767 0.000 2.163 433 F HA -0.074 4.453 4.527 0.001 0.000 0.297 433 F C 1.051 176.404 175.800 -0.744 0.000 1.094 433 F CA 1.259 58.518 58.000 -1.234 0.000 1.290 433 F CB -0.278 37.910 39.000 -1.353 0.000 1.017 433 F HN 0.037 nan 8.300 nan 0.000 0.483 434 W N 1.190 122.138 121.300 -0.586 0.000 2.519 434 W HA 0.023 4.683 4.660 -0.000 0.000 0.266 434 W C 2.241 178.507 176.519 -0.422 0.000 1.253 434 W CA 0.851 57.828 57.345 -0.614 0.000 1.274 434 W CB -0.353 28.894 29.460 -0.355 0.000 1.114 434 W HN 0.058 nan 8.180 nan 0.000 0.596 435 E N 0.106 120.230 120.200 -0.127 0.000 2.106 435 E HA -0.240 4.111 4.350 0.002 0.000 0.192 435 E C 2.152 178.668 176.600 -0.140 0.000 0.984 435 E CA 1.254 57.596 56.400 -0.097 0.000 0.806 435 E CB -0.371 29.293 29.700 -0.062 0.000 0.750 435 E HN 0.277 nan 8.360 nan 0.000 0.458 436 M N 0.846 120.308 119.600 -0.230 0.000 2.098 436 M HA -0.135 4.346 4.480 0.002 0.000 0.262 436 M C 2.289 178.447 176.300 -0.236 0.000 1.072 436 M CA 1.231 56.412 55.300 -0.199 0.000 1.133 436 M CB -0.050 32.428 32.600 -0.202 0.000 1.344 436 M HN -0.001 nan 8.290 nan 0.000 0.414 437 V N 1.571 121.237 119.914 -0.414 0.000 2.380 437 V HA -0.329 3.792 4.120 0.002 0.000 0.251 437 V C 1.856 177.852 176.094 -0.162 0.000 1.063 437 V CA 2.233 64.329 62.300 -0.340 0.000 1.055 437 V CB -1.067 30.430 31.823 -0.543 0.000 0.657 437 V HN 0.481 nan 8.190 nan 0.000 0.455 438 D N -0.541 119.781 120.400 -0.129 0.000 2.144 438 D HA -0.181 4.460 4.640 0.002 0.000 0.199 438 D C 2.178 178.427 176.300 -0.085 0.000 0.984 438 D CA 1.579 55.532 54.000 -0.080 0.000 0.834 438 D CB -0.059 40.703 40.800 -0.063 0.000 0.955 438 D HN 0.691 nan 8.370 nan 0.000 0.465 439 E N 0.542 120.689 120.200 -0.088 0.000 2.112 439 E HA -0.168 4.183 4.350 0.002 0.000 0.190 439 E C 1.805 178.360 176.600 -0.076 0.000 0.979 439 E CA 0.902 57.264 56.400 -0.064 0.000 0.814 439 E CB 0.145 29.822 29.700 -0.038 0.000 0.762 439 E HN -0.020 nan 8.360 nan 0.000 0.460 440 E N 0.525 120.660 120.200 -0.108 0.000 2.170 440 E HA -0.056 4.295 4.350 0.002 0.000 0.191 440 E C 2.019 178.390 176.600 -0.380 0.000 0.981 440 E CA 0.720 57.029 56.400 -0.152 0.000 0.830 440 E CB -0.053 29.581 29.700 -0.109 0.000 0.775 440 E HN 0.172 nan 8.360 nan 0.000 0.470 441 R N 0.122 120.431 120.500 -0.318 0.000 2.075 441 R HA -0.126 4.215 4.340 0.002 0.000 0.232 441 R C 1.663 177.828 176.300 -0.225 0.000 1.126 441 R CA 1.475 57.370 56.100 -0.343 0.000 0.963 441 R CB -0.004 30.216 30.300 -0.133 0.000 0.858 441 R HN 0.031 nan 8.270 nan 0.000 0.435 442 E N 0.392 120.510 120.200 -0.136 0.000 2.077 442 E HA -0.093 4.258 4.350 0.002 0.000 0.193 442 E C 1.722 178.286 176.600 -0.060 0.000 0.989 442 E CA 1.391 57.745 56.400 -0.078 0.000 0.800 442 E CB -0.307 29.359 29.700 -0.058 0.000 0.746 442 E HN 0.427 nan 8.360 nan 0.000 0.452 443 A N 0.865 123.641 122.820 -0.073 0.000 1.948 443 A HA -0.213 4.108 4.320 0.002 0.000 0.220 443 A C 1.836 179.455 177.584 0.058 0.000 1.177 443 A CA 2.025 54.052 52.037 -0.017 0.000 0.636 443 A CB -0.862 18.138 19.000 0.001 0.000 0.815 443 A HN 0.622 nan 8.150 nan 0.000 0.449 444 H N -2.548 116.517 119.070 -0.008 0.000 2.672 444 H HA 0.431 4.989 4.556 0.002 0.000 0.277 444 H C 1.256 176.571 175.328 -0.023 0.000 1.074 444 H CA -0.082 55.958 56.048 -0.014 0.000 1.173 444 H CB -0.134 29.622 29.762 -0.010 0.000 1.558 444 H HN 0.364 nan 8.280 nan 0.000 0.539 445 L N 0.489 121.759 121.223 0.078 0.000 2.240 445 L HA 0.039 4.380 4.340 0.002 0.000 0.211 445 L C 2.721 179.604 176.870 0.022 0.000 1.106 445 L CA 0.477 55.340 54.840 0.039 0.000 0.793 445 L CB -0.109 41.953 42.059 0.004 0.000 0.927 445 L HN 0.187 nan 8.230 nan 0.000 0.446 446 R N 0.036 120.549 120.500 0.022 0.000 2.082 446 R HA -0.087 4.254 4.340 0.002 0.000 0.234 446 R C 1.204 177.512 176.300 0.014 0.000 1.136 446 R CA 1.411 57.518 56.100 0.011 0.000 0.935 446 R CB -0.314 29.991 30.300 0.010 0.000 0.842 446 R HN 0.435 nan 8.270 nan 0.000 0.430 447 G N -0.029 108.793 108.800 0.036 0.000 2.215 447 G HA2 -0.113 3.848 3.960 0.002 0.000 0.187 447 G HA3 -0.113 3.848 3.960 0.002 0.000 0.187 447 G C -0.656 174.258 174.900 0.022 0.000 1.039 447 G CA -0.578 44.531 45.100 0.015 0.000 0.771 447 G HN 0.281 nan 8.290 nan 0.000 0.507 448 E N -0.817 119.423 120.200 0.065 0.000 2.320 448 E HA 0.783 5.134 4.350 0.002 0.000 0.264 448 E C -0.678 176.005 176.600 0.139 0.000 0.923 448 E CA -0.774 55.666 56.400 0.065 0.000 0.796 448 E CB 2.799 32.521 29.700 0.035 0.000 1.262 448 E HN 0.565 nan 8.360 nan 0.000 0.428 449 C N 1.965 121.345 119.300 0.133 0.000 2.947 449 C HA 0.361 4.822 4.460 0.002 0.000 0.401 449 C C -0.396 174.727 174.990 0.222 0.000 1.019 449 C CA -0.309 58.834 59.018 0.208 0.000 1.230 449 C CB 0.443 28.257 27.740 0.122 0.000 1.644 449 C HN 1.032 nan 8.230 nan 0.000 0.523 450 H N 3.273 122.392 119.070 0.082 0.000 3.583 450 H HA 0.207 4.764 4.556 0.001 0.000 0.251 450 H C 0.764 176.131 175.328 0.065 0.000 1.060 450 H CA 1.038 57.123 56.048 0.062 0.000 1.159 450 H CB -0.217 29.573 29.762 0.047 0.000 1.496 450 H HN 0.720 nan 8.280 nan 0.000 0.540 451 T N -0.053 114.485 114.554 -0.026 0.000 2.801 451 T HA 0.437 4.788 4.350 0.002 0.000 0.324 451 T C 0.601 175.320 174.700 0.032 0.000 1.088 451 T CA 0.924 62.992 62.100 -0.053 0.000 0.975 451 T CB 0.529 69.386 68.868 -0.019 0.000 1.316 451 T HN 0.703 nan 8.240 nan 0.000 0.533 475 A N 1.245 124.039 122.820 -0.043 0.000 2.359 475 A HA 0.240 4.561 4.320 0.002 0.000 0.240 475 A C 1.601 179.238 177.584 0.088 0.000 1.306 475 A CA 0.105 52.137 52.037 -0.008 0.000 0.898 475 A CB -0.764 18.311 19.000 0.125 0.000 0.956 475 A HN 0.181 nan 8.150 nan 0.000 0.497 476 I N -2.185 118.439 120.570 0.089 0.000 2.761 476 I HA -0.150 4.021 4.170 0.002 0.000 0.261 476 I C 2.166 178.439 176.117 0.260 0.000 1.198 476 I CA 0.525 61.914 61.300 0.150 0.000 1.482 476 I CB -0.142 37.929 38.000 0.119 0.000 1.100 476 I HN 0.759 nan 8.210 nan 0.000 0.445 477 W N 1.797 123.108 121.300 0.018 0.000 2.453 477 W HA -0.085 4.575 4.660 0.001 0.000 0.289 477 W C 2.019 178.700 176.519 0.269 0.000 1.215 477 W CA 0.912 58.305 57.345 0.079 0.000 1.297 477 W CB -0.169 29.242 29.460 -0.082 0.000 1.113 477 W HN 0.063 nan 8.180 nan 0.000 0.551 478 F N 0.624 120.627 119.950 0.088 0.000 2.134 478 F HA -0.305 4.223 4.527 0.000 0.000 0.299 478 F C 2.656 178.498 175.800 0.069 0.000 1.097 478 F CA 1.062 59.113 58.000 0.085 0.000 1.264 478 F CB -0.439 38.667 39.000 0.177 0.000 1.001 478 F HN -0.233 nan 8.300 nan 0.000 0.479 479 M N -1.419 118.341 119.600 0.266 0.000 2.175 479 M HA -0.239 4.242 4.480 0.002 0.000 0.264 479 M C 2.081 178.457 176.300 0.127 0.000 1.063 479 M CA 1.742 57.135 55.300 0.155 0.000 1.119 479 M CB -0.550 32.128 32.600 0.130 0.000 1.377 479 M HN 0.378 nan 8.290 nan 0.000 0.415 480 W N 0.892 122.169 121.300 -0.039 0.000 2.407 480 W HA -0.178 4.483 4.660 0.001 0.000 0.305 480 W C 1.922 178.343 176.519 -0.163 0.000 1.196 480 W CA 0.998 58.290 57.345 -0.088 0.000 1.311 480 W CB -0.243 29.171 29.460 -0.077 0.000 1.135 480 W HN 0.053 nan 8.180 nan 0.000 0.514 481 L N 1.165 122.244 121.223 -0.241 0.000 2.056 481 L HA 0.115 4.456 4.340 0.002 0.000 0.207 481 L C 2.513 179.340 176.870 -0.073 0.000 1.078 481 L CA 2.515 57.145 54.840 -0.350 0.000 0.749 481 L CB -1.495 40.265 42.059 -0.498 0.000 0.901 481 L HN 0.122 nan 8.230 nan 0.000 0.433 482 G N -0.869 107.991 108.800 0.100 0.000 2.476 482 G HA2 -0.347 3.614 3.960 0.002 0.000 0.218 482 G HA3 -0.347 3.614 3.960 0.002 0.000 0.218 482 G C 1.626 176.486 174.900 -0.067 0.000 1.164 482 G CA 0.995 46.084 45.100 -0.017 0.000 0.768 482 G HN 0.609 nan 8.290 nan 0.000 0.560 483 A N 0.174 122.926 122.820 -0.113 0.000 1.940 483 A HA -0.039 4.282 4.320 0.002 0.000 0.219 483 A C 2.440 179.910 177.584 -0.190 0.000 1.176 483 A CA 2.098 54.061 52.037 -0.124 0.000 0.631 483 A CB -0.355 18.560 19.000 -0.141 0.000 0.814 483 A HN 0.254 nan 8.150 nan 0.000 0.446 484 R N -1.320 118.994 120.500 -0.309 0.000 2.092 484 R HA -0.007 4.334 4.340 0.002 0.000 0.231 484 R C 1.714 177.928 176.300 -0.144 0.000 1.119 484 R CA 1.290 57.231 56.100 -0.265 0.000 0.970 484 R CB -1.053 28.973 30.300 -0.457 0.000 0.864 484 R HN 0.620 nan 8.270 nan 0.000 0.440 485 F N 0.417 120.100 119.950 -0.446 0.000 2.098 485 F HA -0.056 4.473 4.527 0.003 0.000 0.294 485 F C 1.669 177.323 175.800 -0.242 0.000 1.107 485 F CA 1.292 58.837 58.000 -0.758 0.000 1.234 485 F CB -0.415 38.003 39.000 -0.969 0.000 1.002 485 F HN -0.072 nan 8.300 nan 0.000 0.472 486 L N 0.473 121.489 121.223 -0.345 0.000 2.081 486 L HA -0.262 4.079 4.340 0.002 0.000 0.212 486 L C 2.594 179.303 176.870 -0.268 0.000 1.080 486 L CA 2.123 56.778 54.840 -0.308 0.000 0.754 486 L CB -0.901 41.157 42.059 -0.001 0.000 0.893 486 L HN 0.382 nan 8.230 nan 0.000 0.433 487 E N 0.054 120.147 120.200 -0.179 0.000 2.076 487 E HA -0.236 4.115 4.350 0.002 0.000 0.190 487 E C 2.218 178.762 176.600 -0.092 0.000 0.979 487 E CA 0.856 57.192 56.400 -0.107 0.000 0.807 487 E CB -0.117 29.544 29.700 -0.065 0.000 0.761 487 E HN 0.384 nan 8.360 nan 0.000 0.454 488 F N 2.337 122.141 119.950 -0.244 0.000 2.102 488 F HA -0.159 4.369 4.527 0.002 0.000 0.298 488 F C 2.254 177.904 175.800 -0.250 0.000 1.105 488 F CA 2.134 60.030 58.000 -0.173 0.000 1.239 488 F CB -0.349 38.629 39.000 -0.036 0.000 0.991 488 F HN 0.069 nan 8.300 nan 0.000 0.474 489 E N 0.202 120.061 120.200 -0.568 0.000 2.049 489 E HA -0.285 4.066 4.350 0.002 0.000 0.198 489 E C 2.187 178.571 176.600 -0.361 0.000 1.007 489 E CA 1.490 57.524 56.400 -0.609 0.000 0.809 489 E CB -0.415 28.786 29.700 -0.831 0.000 0.749 489 E HN 0.491 nan 8.360 nan 0.000 0.450 490 A N 0.110 122.799 122.820 -0.218 0.000 1.930 490 A HA 0.030 4.351 4.320 0.002 0.000 0.215 490 A C 1.926 179.579 177.584 0.116 0.000 1.176 490 A CA 0.830 52.868 52.037 0.002 0.000 0.632 490 A CB 0.046 19.042 19.000 -0.007 0.000 0.819 490 A HN 0.322 nan 8.150 nan 0.000 0.445 491 L N -1.637 119.551 121.223 -0.059 0.000 2.966 491 L HA 0.221 4.562 4.340 0.002 0.000 0.262 491 L C 2.116 178.775 176.870 -0.351 0.000 1.165 491 L CA 0.327 55.073 54.840 -0.158 0.000 0.978 491 L CB 0.431 42.383 42.059 -0.177 0.000 1.337 491 L HN 0.404 nan 8.230 nan 0.000 0.563 492 G N 0.930 109.546 108.800 -0.306 0.000 2.470 492 G HA2 -0.294 3.667 3.960 0.002 0.000 0.220 492 G HA3 -0.294 3.667 3.960 0.002 0.000 0.220 492 G C 1.371 176.076 174.900 -0.324 0.000 1.121 492 G CA 0.724 45.601 45.100 -0.372 0.000 0.766 492 G HN 0.492 nan 8.290 nan 0.000 0.553 493 F N 0.653 120.418 119.950 -0.307 0.000 2.202 493 F HA 0.046 4.574 4.527 0.001 0.000 0.301 493 F C 2.136 177.792 175.800 -0.240 0.000 1.082 493 F CA 0.575 58.431 58.000 -0.240 0.000 1.313 493 F CB -0.562 38.299 39.000 -0.232 0.000 1.024 493 F HN 0.057 nan 8.300 nan 0.000 0.495 494 L N 0.782 121.290 121.223 -1.191 0.000 2.013 494 L HA -0.267 4.074 4.340 0.002 0.000 0.212 494 L C 2.414 179.199 176.870 -0.141 0.000 1.073 494 L CA 1.834 56.212 54.840 -0.771 0.000 0.753 494 L CB -0.799 40.830 42.059 -0.716 0.000 0.890 494 L HN 0.315 nan 8.230 nan 0.000 0.432 495 N N -1.023 117.592 118.700 -0.140 0.000 2.278 495 N HA -0.093 4.648 4.740 0.002 0.000 0.181 495 N C 1.728 177.144 175.510 -0.156 0.000 1.023 495 N CA 0.728 53.752 53.050 -0.043 0.000 0.862 495 N CB -0.055 38.436 38.487 0.007 0.000 1.003 495 N HN 0.275 nan 8.380 nan 0.000 0.431 496 E N 1.213 121.348 120.200 -0.108 0.000 2.153 496 E HA -0.108 4.243 4.350 0.002 0.000 0.194 496 E C 0.221 176.688 176.600 -0.221 0.000 0.988 496 E CA 0.977 57.300 56.400 -0.128 0.000 0.811 496 E CB -0.124 29.586 29.700 0.017 0.000 0.746 496 E HN 0.351 nan 8.360 nan 0.000 0.466 497 D N -0.502 119.886 120.400 -0.020 0.000 2.395 497 D HA 0.021 4.662 4.640 0.002 0.000 0.213 497 D C -0.350 176.121 176.300 0.285 0.000 1.110 497 D CA -0.122 53.984 54.000 0.178 0.000 0.835 497 D CB 0.071 41.118 40.800 0.412 0.000 0.965 497 D HN 0.170 nan 8.370 nan 0.000 0.505 498 H N -1.303 117.945 119.070 0.296 0.000 2.819 498 H HA -0.162 4.395 4.556 0.002 0.000 0.315 498 H C 0.447 175.926 175.328 0.251 0.000 1.242 498 H CA 0.316 56.501 56.048 0.227 0.000 1.157 498 H CB -1.867 27.973 29.762 0.131 0.000 1.451 498 H HN 0.351 nan 8.280 nan 0.000 0.430 499 W N 0.374 121.759 121.300 0.142 0.000 2.392 499 W HA -0.006 4.655 4.660 0.002 0.000 0.279 499 W C 2.174 178.774 176.519 0.135 0.000 1.225 499 W CA 1.270 58.697 57.345 0.137 0.000 1.233 499 W CB -0.120 29.423 29.460 0.138 0.000 1.122 499 W HN 0.317 nan 8.180 nan 0.000 0.561 500 L N -0.700 120.731 121.223 0.346 0.000 2.728 500 L HA 0.348 4.689 4.340 0.002 0.000 0.238 500 L C 1.617 178.628 176.870 0.236 0.000 1.143 500 L CA -0.255 54.740 54.840 0.257 0.000 0.937 500 L CB -0.750 41.439 42.059 0.218 0.000 1.225 500 L HN -0.212 nan 8.230 nan 0.000 0.507 501 G N -0.266 108.680 108.800 0.244 0.000 2.630 501 G HA2 -0.037 3.924 3.960 0.002 0.000 0.236 501 G HA3 -0.037 3.924 3.960 0.002 0.000 0.236 501 G C 0.849 175.828 174.900 0.131 0.000 1.248 501 G CA -0.194 45.013 45.100 0.178 0.000 0.844 501 G HN 0.255 nan 8.290 nan 0.000 0.588 502 R N 0.573 121.137 120.500 0.107 0.000 2.096 502 R HA -0.089 4.252 4.340 0.002 0.000 0.235 502 R C 2.358 178.708 176.300 0.084 0.000 1.127 502 R CA 1.776 57.938 56.100 0.103 0.000 0.968 502 R CB -0.217 30.145 30.300 0.103 0.000 0.861 502 R HN 0.622 nan 8.270 nan 0.000 0.440 503 K N -0.099 120.326 120.400 0.042 0.000 2.057 503 K HA -0.197 4.124 4.320 0.002 0.000 0.207 503 K C 1.707 178.301 176.600 -0.010 0.000 1.049 503 K CA 2.022 58.315 56.287 0.010 0.000 0.931 503 K CB -0.139 32.342 32.500 -0.032 0.000 0.714 503 K HN 0.152 nan 8.250 nan 0.000 0.440 504 N N -0.342 118.342 118.700 -0.026 0.000 2.290 504 N HA -0.076 4.665 4.740 0.002 0.000 0.179 504 N C 1.437 176.916 175.510 -0.053 0.000 1.016 504 N CA 1.328 54.299 53.050 -0.132 0.000 0.871 504 N CB 0.196 38.584 38.487 -0.166 0.000 0.987 504 N HN 0.282 nan 8.380 nan 0.000 0.431 505 S N -1.857 113.917 115.700 0.123 0.000 2.535 505 S HA 0.324 4.795 4.470 0.002 0.000 0.214 505 S C 1.628 176.437 174.600 0.348 0.000 0.980 505 S CA 0.547 58.902 58.200 0.259 0.000 0.907 505 S CB 0.141 63.459 63.200 0.195 0.000 0.790 505 S HN 0.460 nan 8.310 nan 0.000 0.510 506 G N 1.432 110.405 108.800 0.288 0.000 2.855 506 G HA2 -0.329 3.632 3.960 0.002 0.000 0.231 506 G HA3 -0.329 3.632 3.960 0.002 0.000 0.231 506 G C 1.055 176.021 174.900 0.110 0.000 1.242 506 G CA 0.274 45.498 45.100 0.206 0.000 0.789 506 G HN 1.273 nan 8.290 nan 0.000 0.517 507 G N 0.931 109.791 108.800 0.100 0.000 2.850 507 G HA2 0.547 4.508 3.960 0.002 0.000 0.211 507 G HA3 0.547 4.508 3.960 0.002 0.000 0.211 507 G C 0.955 175.899 174.900 0.072 0.000 1.124 507 G CA 1.034 46.167 45.100 0.054 0.000 0.769 507 G HN 1.345 nan 8.290 nan 0.000 0.535 508 G N -0.258 108.606 108.800 0.107 0.000 2.616 508 G HA2 0.418 4.379 3.960 0.002 0.000 0.268 508 G HA3 0.418 4.379 3.960 0.002 0.000 0.268 508 G C 0.461 175.458 174.900 0.162 0.000 1.213 508 G CA 0.514 45.694 45.100 0.134 0.000 0.926 508 G HN 0.833 nan 8.290 nan 0.000 0.523 509 V N -2.806 117.236 119.914 0.213 0.000 3.157 509 V HA 0.340 4.461 4.120 0.002 0.000 0.361 509 V C 0.198 176.436 176.094 0.239 0.000 1.421 509 V CA -0.506 61.926 62.300 0.221 0.000 1.213 509 V CB 0.181 32.170 31.823 0.276 0.000 1.164 509 V HN 0.615 nan 8.190 nan 0.000 0.559 510 E N 1.900 122.264 120.200 0.274 0.000 2.376 510 E HA 0.383 4.734 4.350 0.002 0.000 0.266 510 E C 1.325 178.054 176.600 0.214 0.000 1.009 510 E CA 1.498 58.083 56.400 0.309 0.000 0.902 510 E CB 1.060 31.000 29.700 0.400 0.000 0.972 510 E HN 1.092 nan 8.360 nan 0.000 0.439 511 G N 3.862 112.758 108.800 0.160 0.000 2.176 511 G HA2 -0.254 3.707 3.960 0.002 0.000 0.253 511 G HA3 -0.254 3.707 3.960 0.002 0.000 0.253 511 G C 0.233 175.164 174.900 0.052 0.000 0.979 511 G CA 0.288 45.452 45.100 0.108 0.000 0.641 511 G HN 0.462 nan 8.290 nan 0.000 0.530 512 L N 1.631 122.901 121.223 0.078 0.000 2.265 512 L HA 0.617 4.958 4.340 0.002 0.000 0.288 512 L C 1.421 178.330 176.870 0.066 0.000 1.058 512 L CA -0.247 54.636 54.840 0.072 0.000 0.809 512 L CB 1.173 43.296 42.059 0.107 0.000 1.179 512 L HN 0.213 nan 8.230 nan 0.000 0.429 513 G N 1.793 110.619 108.800 0.043 0.000 2.588 513 G HA2 0.256 4.217 3.960 0.002 0.000 0.278 513 G HA3 0.256 4.217 3.960 0.002 0.000 0.278 513 G C 0.679 175.635 174.900 0.092 0.000 1.307 513 G CA -0.640 44.497 45.100 0.062 0.000 1.016 513 G HN 0.451 nan 8.290 nan 0.000 0.503 514 L N -0.521 120.790 121.223 0.146 0.000 2.275 514 L HA -0.016 4.325 4.340 0.002 0.000 0.215 514 L C 2.918 179.931 176.870 0.238 0.000 1.119 514 L CA 1.376 56.360 54.840 0.240 0.000 0.790 514 L CB -0.867 41.332 42.059 0.233 0.000 0.919 514 L HN 0.600 nan 8.230 nan 0.000 0.443 515 Q N -0.933 118.886 119.800 0.031 0.000 2.364 515 Q HA -0.130 4.211 4.340 0.002 0.000 0.209 515 Q C 1.703 177.714 176.000 0.018 0.000 0.977 515 Q CA 1.097 56.757 55.803 -0.239 0.000 0.885 515 Q CB -0.146 28.120 28.738 -0.787 0.000 0.941 515 Q HN 0.335 nan 8.270 nan 0.000 0.464 516 K N -0.424 120.010 120.400 0.056 0.000 2.387 516 K HA 0.207 4.528 4.320 0.002 0.000 0.197 516 K C 1.816 178.368 176.600 -0.080 0.000 1.127 516 K CA 0.147 56.481 56.287 0.078 0.000 0.950 516 K CB 0.336 32.914 32.500 0.130 0.000 1.017 516 K HN 0.191 nan 8.250 nan 0.000 0.519 517 L N 0.654 121.810 121.223 -0.112 0.000 2.093 517 L HA -0.065 4.276 4.340 0.002 0.000 0.208 517 L C 2.403 178.881 176.870 -0.653 0.000 1.085 517 L CA 1.523 56.194 54.840 -0.282 0.000 0.755 517 L CB -0.714 41.221 42.059 -0.206 0.000 0.904 517 L HN 0.265 nan 8.230 nan 0.000 0.435 518 G N -1.188 107.076 108.800 -0.894 0.000 2.422 518 G HA2 -0.263 3.698 3.960 0.002 0.000 0.218 518 G HA3 -0.263 3.698 3.960 0.002 0.000 0.218 518 G C 1.308 175.838 174.900 -0.617 0.000 1.140 518 G CA 0.370 44.999 45.100 -0.785 0.000 0.775 518 G HN 0.298 nan 8.290 nan 0.000 0.545 519 Y N 0.230 120.127 120.300 -0.670 0.000 2.274 519 Y HA -0.009 4.542 4.550 0.002 0.000 0.290 519 Y C 2.610 177.967 175.900 -0.904 0.000 1.145 519 Y CA 0.612 58.090 58.100 -1.038 0.000 1.203 519 Y CB -0.098 37.207 38.460 -1.924 0.000 0.984 519 Y HN 0.145 nan 8.280 nan 0.000 0.533 520 I N -1.230 119.033 120.570 -0.511 0.000 2.233 520 I HA -0.270 3.901 4.170 0.002 0.000 0.243 520 I C 2.014 177.930 176.117 -0.335 0.000 1.093 520 I CA 0.784 61.907 61.300 -0.294 0.000 1.380 520 I CB -0.437 37.484 38.000 -0.131 0.000 1.067 520 I HN 0.110 nan 8.210 nan 0.000 0.413 521 L N 0.619 121.608 121.223 -0.390 0.000 2.089 521 L HA -0.263 4.078 4.340 0.002 0.000 0.213 521 L C 2.579 179.140 176.870 -0.515 0.000 1.079 521 L CA 1.797 56.431 54.840 -0.343 0.000 0.758 521 L CB -0.923 41.015 42.059 -0.202 0.000 0.891 521 L HN 0.231 nan 8.230 nan 0.000 0.433 522 R N -0.337 119.575 120.500 -0.980 0.000 2.115 522 R HA -0.125 4.216 4.340 0.002 0.000 0.226 522 R C 1.952 177.820 176.300 -0.720 0.000 1.100 522 R CA 1.212 56.394 56.100 -1.530 0.000 0.980 522 R CB 0.015 29.139 30.300 -1.960 0.000 0.875 522 R HN 0.520 nan 8.270 nan 0.000 0.445 523 E N 0.022 119.961 120.200 -0.434 0.000 2.015 523 E HA -0.131 4.220 4.350 0.002 0.000 0.191 523 E C 2.081 178.577 176.600 -0.174 0.000 0.991 523 E CA 1.414 57.688 56.400 -0.209 0.000 0.802 523 E CB -0.123 29.524 29.700 -0.088 0.000 0.759 523 E HN 0.064 nan 8.360 nan 0.000 0.447 524 V N 1.341 121.147 119.914 -0.180 0.000 2.282 524 V HA -0.256 3.865 4.120 0.002 0.000 0.249 524 V C 2.380 178.410 176.094 -0.107 0.000 1.057 524 V CA 2.130 64.349 62.300 -0.134 0.000 1.032 524 V CB -1.069 30.660 31.823 -0.156 0.000 0.645 524 V HN 0.481 nan 8.190 nan 0.000 0.447 525 G N -1.999 106.721 108.800 -0.133 0.000 2.535 525 G HA2 -0.218 3.743 3.960 0.002 0.000 0.218 525 G HA3 -0.218 3.743 3.960 0.002 0.000 0.218 525 G C 1.592 176.486 174.900 -0.009 0.000 1.122 525 G CA 1.289 46.373 45.100 -0.027 0.000 0.769 525 G HN 0.464 nan 8.290 nan 0.000 0.549 526 T N -0.301 114.207 114.554 -0.077 0.000 3.067 526 T HA 0.158 4.509 4.350 0.002 0.000 0.257 526 T C 1.233 175.929 174.700 -0.007 0.000 1.105 526 T CA -0.300 61.778 62.100 -0.037 0.000 1.104 526 T CB -0.042 68.782 68.868 -0.073 0.000 0.925 526 T HN 0.135 nan 8.240 nan 0.000 0.498 527 R N 2.894 123.383 120.500 -0.017 0.000 2.316 527 R HA 0.238 4.579 4.340 0.002 0.000 0.314 527 R C -2.447 173.860 176.300 0.012 0.000 1.069 527 R CA -1.669 54.425 56.100 -0.009 0.000 0.959 527 R CB 0.622 30.907 30.300 -0.026 0.000 0.987 527 R HN 0.250 nan 8.270 nan 0.000 0.446 528 P HA 0.168 nan 4.420 nan 0.000 0.269 528 P C 0.024 177.343 177.300 0.033 0.000 1.209 528 P CA 0.190 63.310 63.100 0.032 0.000 0.776 528 P CB 1.433 33.150 31.700 0.028 0.000 0.876 529 G N 1.099 109.929 108.800 0.050 0.000 2.470 529 G HA2 0.334 4.295 3.960 0.002 0.000 0.145 529 G HA3 0.334 4.295 3.960 0.002 0.000 0.145 529 G C -0.101 174.849 174.900 0.083 0.000 1.223 529 G CA -0.092 45.042 45.100 0.056 0.000 1.058 529 G HN 0.684 nan 8.290 nan 0.000 0.469 530 G N -0.436 108.422 108.800 0.096 0.000 2.504 530 G HA2 0.553 4.514 3.960 0.002 0.000 0.257 530 G HA3 0.553 4.514 3.960 0.002 0.000 0.257 530 G C 0.341 175.299 174.900 0.097 0.000 1.451 530 G CA -0.309 44.875 45.100 0.140 0.000 1.059 530 G HN 0.642 nan 8.290 nan 0.000 0.550 531 R N -1.444 119.072 120.500 0.027 0.000 2.652 531 R HA 0.311 4.652 4.340 0.002 0.000 0.272 531 R C -0.370 175.800 176.300 -0.217 0.000 1.162 531 R CA -0.285 55.677 56.100 -0.230 0.000 1.199 531 R CB 0.426 30.367 30.300 -0.597 0.000 1.166 531 R HN 0.280 nan 8.270 nan 0.000 0.597 532 I N 1.496 121.941 120.570 -0.208 0.000 2.331 532 I HA 0.182 4.353 4.170 0.002 0.000 0.292 532 I C -0.736 175.320 176.117 -0.102 0.000 0.998 532 I CA -0.256 61.015 61.300 -0.048 0.000 1.267 532 I CB 0.570 38.612 38.000 0.070 0.000 1.386 532 I HN 0.286 nan 8.210 nan 0.000 0.476 533 Y N 4.403 124.765 120.300 0.103 0.000 2.387 533 Y HA 0.670 5.221 4.550 0.002 0.000 0.336 533 Y C 0.378 176.436 175.900 0.264 0.000 1.067 533 Y CA -0.916 57.321 58.100 0.228 0.000 1.114 533 Y CB 1.880 40.486 38.460 0.243 0.000 1.208 533 Y HN 0.560 nan 8.280 nan 0.000 0.458 534 A N 2.445 125.586 122.820 0.536 0.000 3.300 534 A HA 0.359 4.680 4.320 0.002 0.000 0.300 534 A C -1.413 176.404 177.584 0.388 0.000 1.099 534 A CA -0.731 51.536 52.037 0.383 0.000 0.846 534 A CB -0.209 18.939 19.000 0.247 0.000 1.255 534 A HN 0.626 nan 8.150 nan 0.000 0.519 535 D N 1.134 121.737 120.400 0.338 0.000 2.210 535 D HA 0.412 5.053 4.640 0.002 0.000 0.249 535 D C -0.648 175.778 176.300 0.210 0.000 1.062 535 D CA 0.281 54.438 54.000 0.262 0.000 0.891 535 D CB 1.411 42.341 40.800 0.217 0.000 1.186 535 D HN 0.368 nan 8.370 nan 0.000 0.432 536 D N 0.286 120.796 120.400 0.183 0.000 2.193 536 D HA 0.253 4.894 4.640 0.002 0.000 0.249 536 D C -0.049 176.351 176.300 0.167 0.000 1.034 536 D CA -0.167 53.934 54.000 0.167 0.000 0.902 536 D CB 1.217 42.109 40.800 0.153 0.000 1.182 536 D HN 0.052 nan 8.370 nan 0.000 0.436 537 T N 0.758 115.446 114.554 0.225 0.000 2.897 537 T HA 0.445 4.796 4.350 0.002 0.000 0.294 537 T C 0.170 174.985 174.700 0.192 0.000 1.004 537 T CA -0.537 61.708 62.100 0.241 0.000 1.106 537 T CB 0.985 70.127 68.868 0.456 0.000 0.949 537 T HN 0.349 nan 8.240 nan 0.000 0.520 538 A N 2.543 125.433 122.820 0.116 0.000 2.457 538 A HA 0.547 4.868 4.320 0.002 0.000 0.298 538 A C 1.286 178.927 177.584 0.095 0.000 1.288 538 A CA -0.016 52.074 52.037 0.088 0.000 0.956 538 A CB -1.074 17.951 19.000 0.040 0.000 1.135 538 A HN 1.471 nan 8.150 nan 0.000 0.535 539 G N 2.567 111.444 108.800 0.129 0.000 2.370 539 G HA2 -0.253 3.708 3.960 0.002 0.000 0.295 539 G HA3 -0.253 3.708 3.960 0.002 0.000 0.295 539 G C 0.734 175.724 174.900 0.150 0.000 1.045 539 G CA 0.339 45.516 45.100 0.129 0.000 1.199 539 G HN 1.304 nan 8.290 nan 0.000 0.513 540 W N 0.677 122.005 121.300 0.047 0.000 2.290 540 W HA -0.223 4.437 4.660 0.001 0.000 0.323 540 W C 1.353 177.899 176.519 0.046 0.000 1.260 540 W CA 2.235 59.610 57.345 0.049 0.000 1.266 540 W CB -0.138 29.361 29.460 0.065 0.000 1.149 540 W HN 0.501 nan 8.180 nan 0.000 0.482 541 D N -0.458 120.034 120.400 0.153 0.000 2.264 541 D HA -0.132 4.509 4.640 0.002 0.000 0.208 541 D C 2.080 178.347 176.300 -0.055 0.000 0.966 541 D CA 2.249 56.290 54.000 0.067 0.000 0.864 541 D CB -0.323 40.580 40.800 0.172 0.000 0.933 541 D HN 0.321 nan 8.370 nan 0.000 0.499 542 T N -2.618 111.904 114.554 -0.052 0.000 3.086 542 T HA 0.127 4.478 4.350 0.002 0.000 0.250 542 T C 1.483 176.113 174.700 -0.116 0.000 1.074 542 T CA -0.142 61.922 62.100 -0.060 0.000 0.988 542 T CB 0.378 69.236 68.868 -0.017 0.000 0.988 542 T HN -0.145 nan 8.240 nan 0.000 0.530 543 R N 0.579 120.953 120.500 -0.210 0.000 2.397 543 R HA 0.404 4.745 4.340 0.002 0.000 0.241 543 R C 0.100 176.188 176.300 -0.354 0.000 0.914 543 R CA -0.345 55.599 56.100 -0.259 0.000 1.071 543 R CB 0.110 30.242 30.300 -0.279 0.000 1.116 543 R HN 0.395 nan 8.270 nan 0.000 0.524 544 I N 2.983 123.334 120.570 -0.365 0.000 2.416 544 I HA 0.022 4.193 4.170 0.002 0.000 0.288 544 I C 1.035 177.045 176.117 -0.178 0.000 1.051 544 I CA 0.335 61.446 61.300 -0.316 0.000 1.375 544 I CB 0.931 38.779 38.000 -0.254 0.000 1.407 544 I HN 0.027 nan 8.210 nan 0.000 0.516 545 T N 3.617 118.090 114.554 -0.135 0.000 2.936 545 T HA 0.437 4.788 4.350 0.002 0.000 0.282 545 T C 1.280 175.946 174.700 -0.057 0.000 1.003 545 T CA -0.774 61.276 62.100 -0.083 0.000 1.005 545 T CB 1.517 70.350 68.868 -0.059 0.000 1.097 545 T HN 0.517 nan 8.240 nan 0.000 0.532 546 R N 0.290 120.766 120.500 -0.040 0.000 2.105 546 R HA -0.060 4.281 4.340 0.002 0.000 0.239 546 R C 2.693 179.018 176.300 0.042 0.000 1.135 546 R CA 1.372 57.464 56.100 -0.013 0.000 0.967 546 R CB -0.925 29.385 30.300 0.016 0.000 0.861 546 R HN 0.799 nan 8.270 nan 0.000 0.442 547 A N 1.517 124.363 122.820 0.043 0.000 1.902 547 A HA -0.202 4.119 4.320 0.002 0.000 0.217 547 A C 1.553 179.195 177.584 0.097 0.000 1.181 547 A CA 1.774 53.855 52.037 0.073 0.000 0.623 547 A CB -0.361 18.677 19.000 0.063 0.000 0.818 547 A HN 0.169 nan 8.150 nan 0.000 0.443 548 D N 0.157 120.597 120.400 0.067 0.000 2.117 548 D HA -0.129 4.512 4.640 0.002 0.000 0.197 548 D C 1.967 178.347 176.300 0.133 0.000 0.987 548 D CA 1.112 55.170 54.000 0.098 0.000 0.829 548 D CB -0.367 40.447 40.800 0.024 0.000 0.961 548 D HN 0.461 nan 8.370 nan 0.000 0.460 549 L N 0.802 122.068 121.223 0.072 0.000 2.083 549 L HA -0.157 4.184 4.340 0.002 0.000 0.209 549 L C 2.342 179.328 176.870 0.193 0.000 1.083 549 L CA 1.132 56.019 54.840 0.079 0.000 0.752 549 L CB -0.378 41.624 42.059 -0.096 0.000 0.899 549 L HN 0.022 nan 8.230 nan 0.000 0.433 550 E N 0.244 120.561 120.200 0.195 0.000 2.110 550 E HA -0.204 4.147 4.350 0.002 0.000 0.193 550 E C 1.834 178.554 176.600 0.200 0.000 0.988 550 E CA 1.490 58.007 56.400 0.196 0.000 0.804 550 E CB -0.181 29.612 29.700 0.154 0.000 0.745 550 E HN 0.602 nan 8.360 nan 0.000 0.458 551 N N 0.600 119.447 118.700 0.246 0.000 2.216 551 N HA -0.123 4.618 4.740 0.002 0.000 0.183 551 N C 1.623 177.420 175.510 0.479 0.000 1.017 551 N CA 0.676 53.944 53.050 0.363 0.000 0.861 551 N CB 0.062 38.783 38.487 0.391 0.000 0.986 551 N HN 0.137 nan 8.380 nan 0.000 0.428 552 E N 0.773 121.191 120.200 0.363 0.000 2.110 552 E HA -0.128 4.223 4.350 0.002 0.000 0.193 552 E C 1.764 178.470 176.600 0.176 0.000 0.988 552 E CA 1.019 57.586 56.400 0.278 0.000 0.804 552 E CB -0.050 29.775 29.700 0.208 0.000 0.745 552 E HN 0.396 nan 8.360 nan 0.000 0.458 553 A N 1.005 123.897 122.820 0.120 0.000 2.209 553 A HA -0.105 4.216 4.320 0.002 0.000 0.212 553 A C 1.591 179.093 177.584 -0.138 0.000 1.158 553 A CA 0.593 52.627 52.037 -0.005 0.000 0.742 553 A CB -0.173 18.865 19.000 0.063 0.000 0.790 553 A HN 0.048 nan 8.150 nan 0.000 0.472 554 K N 0.127 120.453 120.400 -0.124 0.000 2.442 554 K HA -0.088 4.233 4.320 0.002 0.000 0.198 554 K C 1.589 177.730 176.600 -0.766 0.000 1.044 554 K CA 1.169 57.267 56.287 -0.313 0.000 0.948 554 K CB -0.425 32.014 32.500 -0.102 0.000 0.762 554 K HN 0.513 nan 8.250 nan 0.000 0.472 555 V N -0.126 119.144 119.914 -1.075 0.000 2.469 555 V HA -0.265 3.856 4.120 0.002 0.000 0.251 555 V C 1.975 177.696 176.094 -0.621 0.000 1.064 555 V CA 1.515 63.109 62.300 -1.178 0.000 1.066 555 V CB -0.918 30.387 31.823 -0.863 0.000 0.667 555 V HN 0.251 nan 8.190 nan 0.000 0.461 556 L N -0.118 120.842 121.223 -0.437 0.000 2.127 556 L HA -0.127 4.214 4.340 0.002 0.000 0.211 556 L C 2.833 179.532 176.870 -0.286 0.000 1.089 556 L CA 1.434 56.082 54.840 -0.320 0.000 0.757 556 L CB -0.725 41.192 42.059 -0.237 0.000 0.899 556 L HN 0.321 nan 8.230 nan 0.000 0.434 557 E N -0.075 119.960 120.200 -0.276 0.000 2.268 557 E HA -0.139 4.212 4.350 0.002 0.000 0.195 557 E C 2.069 178.552 176.600 -0.194 0.000 0.995 557 E CA 0.756 57.035 56.400 -0.201 0.000 0.836 557 E CB -0.102 29.502 29.700 -0.161 0.000 0.763 557 E HN 0.299 nan 8.360 nan 0.000 0.491 558 L N -0.073 120.995 121.223 -0.259 0.000 2.395 558 L HA 0.067 4.408 4.340 0.002 0.000 0.218 558 L C 0.934 177.664 176.870 -0.233 0.000 1.130 558 L CA 0.753 55.468 54.840 -0.210 0.000 0.826 558 L CB -0.529 41.390 42.059 -0.234 0.000 0.941 558 L HN -0.005 nan 8.230 nan 0.000 0.451 559 L N -0.622 120.426 121.223 -0.291 0.000 2.334 559 L HA 0.438 4.779 4.340 0.002 0.000 0.270 559 L C -0.559 176.183 176.870 -0.213 0.000 1.018 559 L CA -0.975 53.660 54.840 -0.341 0.000 0.811 559 L CB 1.629 43.367 42.059 -0.536 0.000 1.271 559 L HN 0.044 nan 8.230 nan 0.000 0.443 560 D N -0.183 120.124 120.400 -0.155 0.000 2.477 560 D HA 0.662 5.303 4.640 0.002 0.000 0.234 560 D C 0.445 176.708 176.300 -0.062 0.000 1.048 560 D CA 0.077 54.018 54.000 -0.097 0.000 0.959 560 D CB 1.536 42.292 40.800 -0.073 0.000 1.408 560 D HN 0.714 nan 8.370 nan 0.000 0.496 561 G N 0.961 109.729 108.800 -0.053 0.000 2.629 561 G HA2 -0.457 3.504 3.960 0.002 0.000 0.313 561 G HA3 -0.457 3.504 3.960 0.002 0.000 0.313 561 G C 0.894 175.780 174.900 -0.022 0.000 1.217 561 G CA 0.942 46.022 45.100 -0.035 0.000 0.994 561 G HN 0.908 nan 8.290 nan 0.000 0.549 562 E N -0.637 119.560 120.200 -0.006 0.000 2.072 562 E HA -0.126 4.225 4.350 0.002 0.000 0.190 562 E C 2.077 178.701 176.600 0.040 0.000 0.982 562 E CA 1.263 57.665 56.400 0.002 0.000 0.803 562 E CB -0.323 29.370 29.700 -0.012 0.000 0.755 562 E HN 0.789 nan 8.360 nan 0.000 0.453 563 H N 0.530 119.545 119.070 -0.091 0.000 2.319 563 H HA -0.152 4.405 4.556 0.002 0.000 0.297 563 H C 2.508 177.769 175.328 -0.110 0.000 1.097 563 H CA 1.597 57.577 56.048 -0.113 0.000 1.285 563 H CB 0.102 29.772 29.762 -0.153 0.000 1.368 563 H HN 0.055 nan 8.280 nan 0.000 0.495 564 R N 0.563 121.010 120.500 -0.089 0.000 2.083 564 R HA -0.144 4.197 4.340 0.002 0.000 0.237 564 R C 2.574 178.807 176.300 -0.110 0.000 1.137 564 R CA 1.621 57.618 56.100 -0.172 0.000 0.951 564 R CB -0.085 30.125 30.300 -0.149 0.000 0.851 564 R HN 0.321 nan 8.270 nan 0.000 0.434 565 R N 0.052 120.517 120.500 -0.058 0.000 2.092 565 R HA -0.062 4.279 4.340 0.002 0.000 0.231 565 R C 2.396 178.688 176.300 -0.013 0.000 1.119 565 R CA 1.347 57.424 56.100 -0.038 0.000 0.970 565 R CB -0.209 30.080 30.300 -0.018 0.000 0.864 565 R HN 0.268 nan 8.270 nan 0.000 0.440 566 L N -0.327 120.909 121.223 0.021 0.000 2.056 566 L HA -0.129 4.212 4.340 0.002 0.000 0.207 566 L C 2.593 179.464 176.870 0.001 0.000 1.078 566 L CA 1.229 56.106 54.840 0.061 0.000 0.749 566 L CB -0.494 41.604 42.059 0.065 0.000 0.901 566 L HN 0.248 nan 8.230 nan 0.000 0.433 567 A N 0.106 122.908 122.820 -0.029 0.000 1.930 567 A HA -0.225 4.096 4.320 0.002 0.000 0.217 567 A C 2.409 179.925 177.584 -0.115 0.000 1.175 567 A CA 1.617 53.605 52.037 -0.082 0.000 0.627 567 A CB -0.534 18.380 19.000 -0.143 0.000 0.815 567 A HN 0.375 nan 8.150 nan 0.000 0.443 568 R N -0.244 120.184 120.500 -0.121 0.000 2.092 568 R HA -0.029 4.312 4.340 0.002 0.000 0.231 568 R C 2.139 178.350 176.300 -0.148 0.000 1.119 568 R CA 1.381 57.401 56.100 -0.134 0.000 0.970 568 R CB -0.395 29.829 30.300 -0.126 0.000 0.864 568 R HN 0.385 nan 8.270 nan 0.000 0.440 569 A N 1.164 123.879 122.820 -0.174 0.000 1.969 569 A HA -0.089 4.232 4.320 0.002 0.000 0.218 569 A C 1.944 179.344 177.584 -0.308 0.000 1.169 569 A CA 0.966 52.821 52.037 -0.303 0.000 0.635 569 A CB -0.283 18.380 19.000 -0.561 0.000 0.810 569 A HN 0.269 nan 8.150 nan 0.000 0.445 570 I N 0.102 120.540 120.570 -0.220 0.000 2.141 570 I HA -0.169 4.002 4.170 0.002 0.000 0.236 570 I C 2.485 178.560 176.117 -0.070 0.000 1.071 570 I CA 0.965 62.177 61.300 -0.146 0.000 1.345 570 I CB -1.392 36.549 38.000 -0.099 0.000 1.066 570 I HN 0.276 nan 8.210 nan 0.000 0.406 571 I N 0.869 121.411 120.570 -0.046 0.000 2.181 571 I HA -0.322 3.849 4.170 0.002 0.000 0.247 571 I C 1.564 177.751 176.117 0.118 0.000 1.081 571 I CA 1.593 62.913 61.300 0.034 0.000 1.340 571 I CB -0.499 37.498 38.000 -0.005 0.000 1.036 571 I HN 0.351 nan 8.210 nan 0.000 0.417 572 E N 0.285 120.475 120.200 -0.018 0.000 2.382 572 E HA -0.069 4.282 4.350 0.002 0.000 0.190 572 E C 1.275 177.922 176.600 0.078 0.000 1.125 572 E CA -0.068 56.308 56.400 -0.040 0.000 0.929 572 E CB 0.270 29.862 29.700 -0.181 0.000 1.053 572 E HN 0.313 nan 8.360 nan 0.000 0.475 573 L N -0.552 120.734 121.223 0.105 0.000 2.388 573 L HA 0.017 4.358 4.340 0.002 0.000 0.209 573 L C 2.080 179.011 176.870 0.103 0.000 1.061 573 L CA 1.367 56.250 54.840 0.072 0.000 0.834 573 L CB -0.296 41.771 42.059 0.013 0.000 1.029 573 L HN 0.021 nan 8.230 nan 0.000 0.473 574 T N -0.798 113.827 114.554 0.119 0.000 2.760 574 T HA -0.255 4.096 4.350 0.002 0.000 0.269 574 T C 1.503 176.172 174.700 -0.053 0.000 1.047 574 T CA 1.776 63.884 62.100 0.013 0.000 1.139 574 T CB -0.460 68.363 68.868 -0.075 0.000 0.855 574 T HN 0.218 nan 8.240 nan 0.000 0.471 575 Y N 1.134 121.434 120.300 0.000 0.000 2.578 575 Y HA 0.129 4.680 4.550 0.002 0.000 0.297 575 Y C 1.645 177.549 175.900 0.006 0.000 1.176 575 Y CA -0.113 57.988 58.100 0.002 0.000 1.315 575 Y CB -0.202 38.255 38.460 -0.006 0.000 1.031 575 Y HN -0.034 nan 8.280 nan 0.000 0.524 605 G N 2.455 111.315 108.800 0.101 0.000 2.956 605 G HA2 -0.168 3.793 3.960 0.002 0.000 0.263 605 G HA3 -0.168 3.793 3.960 0.002 0.000 0.263 605 G C 0.318 175.282 174.900 0.106 0.000 1.090 605 G CA 0.071 45.214 45.100 0.071 0.000 1.185 605 G HN 0.862 nan 8.290 nan 0.000 0.566 606 Q N -0.622 119.268 119.800 0.149 0.000 2.268 606 Q HA -0.134 4.207 4.340 0.002 0.000 0.210 606 Q C 2.595 178.665 176.000 0.117 0.000 0.988 606 Q CA 1.830 57.741 55.803 0.180 0.000 0.883 606 Q CB -0.061 28.825 28.738 0.246 0.000 0.911 606 Q HN 0.621 nan 8.270 nan 0.000 0.430 607 V N -0.279 119.678 119.914 0.071 0.000 2.379 607 V HA -0.175 3.946 4.120 0.002 0.000 0.243 607 V C 2.137 178.259 176.094 0.047 0.000 1.035 607 V CA 1.163 63.461 62.300 -0.002 0.000 1.035 607 V CB -0.141 31.699 31.823 0.029 0.000 0.673 607 V HN 0.191 nan 8.190 nan 0.000 0.457 608 V N -0.054 119.889 119.914 0.049 0.000 2.287 608 V HA -0.305 3.816 4.120 0.002 0.000 0.248 608 V C 2.558 178.691 176.094 0.065 0.000 1.053 608 V CA 2.670 64.984 62.300 0.024 0.000 1.027 608 V CB -1.355 30.465 31.823 -0.004 0.000 0.646 608 V HN 0.598 nan 8.190 nan 0.000 0.447 609 T N -0.711 113.902 114.554 0.099 0.000 2.665 609 T HA -0.304 4.047 4.350 0.002 0.000 0.268 609 T C 1.740 176.529 174.700 0.148 0.000 1.035 609 T CA 2.454 64.635 62.100 0.136 0.000 1.151 609 T CB -0.466 68.500 68.868 0.163 0.000 0.862 609 T HN 0.619 nan 8.240 nan 0.000 0.438 610 Y N 1.977 122.286 120.300 0.015 0.000 2.165 610 Y HA -0.098 4.453 4.550 0.002 0.000 0.286 610 Y C 2.509 178.421 175.900 0.019 0.000 1.155 610 Y CA 1.106 59.195 58.100 -0.020 0.000 1.164 610 Y CB -0.716 37.603 38.460 -0.235 0.000 0.978 610 Y HN 0.187 nan 8.280 nan 0.000 0.513 611 A N 0.399 123.246 122.820 0.044 0.000 1.877 611 A HA -0.162 4.159 4.320 0.002 0.000 0.216 611 A C 2.301 179.903 177.584 0.029 0.000 1.186 611 A CA 1.935 53.978 52.037 0.010 0.000 0.620 611 A CB -1.145 17.882 19.000 0.045 0.000 0.822 611 A HN 0.557 nan 8.150 nan 0.000 0.443 612 L N -0.503 120.765 121.223 0.076 0.000 2.056 612 L HA -0.183 4.158 4.340 0.002 0.000 0.207 612 L C 2.369 179.375 176.870 0.225 0.000 1.078 612 L CA 1.164 56.100 54.840 0.159 0.000 0.749 612 L CB -0.764 41.382 42.059 0.144 0.000 0.901 612 L HN 0.351 nan 8.230 nan 0.000 0.433 613 N N -0.187 118.612 118.700 0.165 0.000 2.061 613 N HA -0.163 4.578 4.740 0.002 0.000 0.193 613 N C 1.843 177.351 175.510 -0.002 0.000 1.030 613 N CA 2.015 55.175 53.050 0.182 0.000 0.856 613 N CB -0.601 37.924 38.487 0.063 0.000 1.023 613 N HN 0.268 nan 8.380 nan 0.000 0.424 614 T N 0.959 115.414 114.554 -0.164 0.000 2.708 614 T HA -0.122 4.229 4.350 0.002 0.000 0.266 614 T C 1.681 176.357 174.700 -0.040 0.000 1.037 614 T CA 0.895 62.881 62.100 -0.191 0.000 1.146 614 T CB -0.581 68.095 68.868 -0.320 0.000 0.865 614 T HN 0.227 nan 8.240 nan 0.000 0.435 615 F N 2.125 122.016 119.950 -0.099 0.000 2.063 615 F HA -0.246 4.283 4.527 0.002 0.000 0.298 615 F C 2.460 178.240 175.800 -0.034 0.000 1.109 615 F CA 1.880 59.807 58.000 -0.121 0.000 1.212 615 F CB -0.874 37.990 39.000 -0.227 0.000 0.973 615 F HN 0.075 nan 8.300 nan 0.000 0.480 616 T N -0.098 114.548 114.554 0.154 0.000 2.777 616 T HA -0.198 4.153 4.350 0.002 0.000 0.266 616 T C 1.881 176.688 174.700 0.179 0.000 1.040 616 T CA 1.527 63.737 62.100 0.183 0.000 1.141 616 T CB -0.602 68.522 68.868 0.426 0.000 0.868 616 T HN 0.451 nan 8.240 nan 0.000 0.444 617 N N 0.533 119.350 118.700 0.194 0.000 2.188 617 N HA -0.019 4.722 4.740 0.002 0.000 0.184 617 N C 1.894 177.416 175.510 0.021 0.000 1.018 617 N CA 0.604 53.718 53.050 0.107 0.000 0.858 617 N CB -0.122 38.211 38.487 -0.257 0.000 0.989 617 N HN 0.295 nan 8.380 nan 0.000 0.426 618 L N 0.784 121.968 121.223 -0.064 0.000 2.043 618 L HA -0.213 4.128 4.340 0.002 0.000 0.212 618 L C 2.617 179.435 176.870 -0.087 0.000 1.075 618 L CA 1.440 56.233 54.840 -0.080 0.000 0.752 618 L CB -0.540 41.442 42.059 -0.128 0.000 0.891 618 L HN 0.253 nan 8.230 nan 0.000 0.432 619 A N -0.396 122.312 122.820 -0.187 0.000 1.855 619 A HA -0.146 4.175 4.320 0.002 0.000 0.215 619 A C 2.320 179.895 177.584 -0.015 0.000 1.191 619 A CA 1.713 53.662 52.037 -0.146 0.000 0.613 619 A CB -0.894 17.951 19.000 -0.257 0.000 0.829 619 A HN 0.173 nan 8.150 nan 0.000 0.442 620 V N 0.334 120.275 119.914 0.045 0.000 2.278 620 V HA -0.327 3.794 4.120 0.002 0.000 0.251 620 V C 2.759 178.902 176.094 0.082 0.000 1.062 620 V CA 2.263 64.621 62.300 0.097 0.000 1.038 620 V CB -0.841 31.104 31.823 0.203 0.000 0.646 620 V HN 0.563 nan 8.190 nan 0.000 0.447 621 Q N -1.074 118.784 119.800 0.096 0.000 2.119 621 Q HA -0.086 4.255 4.340 0.002 0.000 0.201 621 Q C 2.178 178.259 176.000 0.135 0.000 0.972 621 Q CA 1.135 57.023 55.803 0.142 0.000 0.847 621 Q CB -0.584 28.240 28.738 0.143 0.000 0.903 621 Q HN 0.422 nan 8.270 nan 0.000 0.433 622 L N -0.058 121.215 121.223 0.084 0.000 2.046 622 L HA -0.123 4.218 4.340 0.002 0.000 0.208 622 L C 2.386 179.223 176.870 -0.055 0.000 1.077 622 L CA 1.138 56.038 54.840 0.099 0.000 0.747 622 L CB -1.220 40.901 42.059 0.103 0.000 0.896 622 L HN -0.005 nan 8.230 nan 0.000 0.432 623 V N -0.331 119.532 119.914 -0.086 0.000 2.255 623 V HA -0.336 3.785 4.120 0.002 0.000 0.247 623 V C 2.720 178.676 176.094 -0.231 0.000 1.051 623 V CA 2.069 64.249 62.300 -0.201 0.000 1.018 623 V CB -0.694 31.072 31.823 -0.095 0.000 0.641 623 V HN 0.461 nan 8.190 nan 0.000 0.445 624 R N -0.522 119.914 120.500 -0.107 0.000 2.117 624 R HA -0.204 4.137 4.340 0.002 0.000 0.243 624 R C 2.293 178.529 176.300 -0.106 0.000 1.143 624 R CA 2.047 58.053 56.100 -0.157 0.000 0.968 624 R CB -0.266 29.900 30.300 -0.222 0.000 0.863 624 R HN 0.461 nan 8.270 nan 0.000 0.444 625 M N -0.317 119.325 119.600 0.070 0.000 2.099 625 M HA -0.191 4.290 4.480 0.002 0.000 0.262 625 M C 2.479 178.682 176.300 -0.161 0.000 1.067 625 M CA 1.765 57.150 55.300 0.143 0.000 1.124 625 M CB -0.244 32.509 32.600 0.256 0.000 1.353 625 M HN 0.248 nan 8.290 nan 0.000 0.410 626 M N -0.094 119.147 119.600 -0.599 0.000 2.089 626 M HA -0.306 4.175 4.480 0.002 0.000 0.257 626 M C 2.139 178.096 176.300 -0.572 0.000 1.071 626 M CA 1.926 56.620 55.300 -1.010 0.000 1.096 626 M CB -0.373 31.558 32.600 -1.114 0.000 1.330 626 M HN 0.303 nan 8.290 nan 0.000 0.403 627 E N -0.636 119.307 120.200 -0.428 0.000 2.015 627 E HA -0.160 4.191 4.350 0.002 0.000 0.191 627 E C 1.931 178.437 176.600 -0.157 0.000 0.991 627 E CA 1.320 57.549 56.400 -0.284 0.000 0.802 627 E CB -0.364 29.220 29.700 -0.195 0.000 0.759 627 E HN 0.572 nan 8.360 nan 0.000 0.447 628 G N 0.966 109.702 108.800 -0.107 0.000 2.597 628 G HA2 -0.336 3.625 3.960 0.002 0.000 0.222 628 G HA3 -0.336 3.625 3.960 0.002 0.000 0.222 628 G C 1.187 176.085 174.900 -0.002 0.000 1.135 628 G CA 1.364 46.457 45.100 -0.011 0.000 0.759 628 G HN 0.406 nan 8.290 nan 0.000 0.595 629 E N 0.022 120.199 120.200 -0.038 0.000 2.502 629 E HA 0.301 4.652 4.350 0.002 0.000 0.194 629 E C 1.683 178.252 176.600 -0.052 0.000 1.062 629 E CA 0.150 56.545 56.400 -0.009 0.000 0.867 629 E CB -0.031 29.708 29.700 0.066 0.000 0.888 629 E HN 0.467 nan 8.360 nan 0.000 0.510 630 G N 0.933 109.675 108.800 -0.097 0.000 2.147 630 G HA2 -0.296 3.665 3.960 0.002 0.000 0.244 630 G HA3 -0.296 3.665 3.960 0.002 0.000 0.244 630 G C 0.950 175.777 174.900 -0.122 0.000 1.005 630 G CA 0.401 45.447 45.100 -0.089 0.000 0.713 630 G HN 0.251 nan 8.290 nan 0.000 0.515 631 V N 0.200 119.986 119.914 -0.213 0.000 2.548 631 V HA 0.192 4.313 4.120 0.002 0.000 0.249 631 V C 1.575 177.536 176.094 -0.221 0.000 1.055 631 V CA 2.063 64.222 62.300 -0.234 0.000 1.065 631 V CB -0.541 31.030 31.823 -0.419 0.000 0.681 631 V HN 0.831 nan 8.190 nan 0.000 0.462 632 I N -3.106 117.303 120.570 -0.269 0.000 3.074 632 I HA 0.925 5.096 4.170 0.002 0.000 0.310 632 I C -0.196 175.847 176.117 -0.124 0.000 1.153 632 I CA -0.595 60.567 61.300 -0.230 0.000 0.993 632 I CB 2.134 39.831 38.000 -0.505 0.000 1.237 632 I HN 0.021 nan 8.210 nan 0.000 0.443 633 G N 1.542 110.361 108.800 0.031 0.000 2.706 633 G HA2 0.531 4.492 3.960 0.002 0.000 0.307 633 G HA3 0.531 4.492 3.960 0.002 0.000 0.307 633 G C -2.695 172.247 174.900 0.071 0.000 1.307 633 G CA -0.727 44.401 45.100 0.047 0.000 0.790 633 G HN 0.379 nan 8.290 nan 0.000 0.503 634 P HA -0.093 nan 4.420 nan 0.000 0.217 634 P C 0.632 177.844 177.300 -0.147 0.000 1.148 634 P CA 1.315 64.195 63.100 -0.367 0.000 0.834 634 P CB 0.206 31.530 31.700 -0.627 0.000 0.783 635 D N -0.806 119.541 120.400 -0.089 0.000 2.317 635 D HA -0.065 4.576 4.640 0.002 0.000 0.211 635 D C 1.261 177.549 176.300 -0.020 0.000 0.966 635 D CA 0.823 54.789 54.000 -0.056 0.000 0.876 635 D CB -0.335 40.435 40.800 -0.049 0.000 0.927 635 D HN 0.259 nan 8.370 nan 0.000 0.519 636 D N -0.221 120.205 120.400 0.043 0.000 2.360 636 D HA 0.016 4.657 4.640 0.002 0.000 0.210 636 D C 2.051 178.386 176.300 0.059 0.000 1.047 636 D CA 0.033 54.102 54.000 0.116 0.000 0.854 636 D CB 1.088 42.040 40.800 0.253 0.000 0.936 636 D HN 0.039 nan 8.370 nan 0.000 0.514 637 V N 1.370 121.200 119.914 -0.140 0.000 2.237 637 V HA -0.238 3.883 4.120 0.002 0.000 0.245 637 V C 2.517 178.483 176.094 -0.213 0.000 1.046 637 V CA 1.839 63.886 62.300 -0.422 0.000 1.007 637 V CB -0.276 31.338 31.823 -0.348 0.000 0.638 637 V HN 0.140 nan 8.190 nan 0.000 0.445 638 E N -0.263 119.868 120.200 -0.114 0.000 2.046 638 E HA -0.081 4.270 4.350 0.002 0.000 0.190 638 E C 0.614 177.189 176.600 -0.042 0.000 0.982 638 E CA 0.920 57.279 56.400 -0.068 0.000 0.800 638 E CB 0.283 29.953 29.700 -0.050 0.000 0.756 638 E HN 0.463 nan 8.360 nan 0.000 0.449 639 K N 0.443 120.821 120.400 -0.037 0.000 2.513 639 K HA 0.234 4.555 4.320 0.002 0.000 0.251 639 K C -1.521 175.059 176.600 -0.033 0.000 0.939 639 K CA -0.860 55.408 56.287 -0.032 0.000 0.793 639 K CB 2.133 34.613 32.500 -0.034 0.000 1.241 639 K HN -0.027 nan 8.250 nan 0.000 0.431 640 L N 2.986 124.176 121.223 -0.055 0.000 2.499 640 L HA 0.067 4.408 4.340 0.002 0.000 0.273 640 L C 0.348 177.169 176.870 -0.082 0.000 1.195 640 L CA 0.674 55.475 54.840 -0.064 0.000 0.882 640 L CB 0.660 42.609 42.059 -0.184 0.000 1.133 640 L HN 0.768 nan 8.230 nan 0.000 0.483 641 T N 2.142 116.665 114.554 -0.050 0.000 2.900 641 T HA 0.174 4.525 4.350 0.002 0.000 0.307 641 T C 0.392 175.053 174.700 -0.064 0.000 1.065 641 T CA -0.894 61.176 62.100 -0.050 0.000 1.105 641 T CB 0.332 69.180 68.868 -0.035 0.000 0.979 641 T HN 0.405 nan 8.240 nan 0.000 0.544 642 K N 1.484 121.852 120.400 -0.053 0.000 2.489 642 K HA 0.296 4.617 4.320 0.002 0.000 0.278 642 K C 1.605 178.182 176.600 -0.039 0.000 1.000 642 K CA 1.104 57.361 56.287 -0.049 0.000 1.012 642 K CB 0.134 32.614 32.500 -0.034 0.000 0.903 642 K HN 1.156 nan 8.250 nan 0.000 0.485 643 G N 2.799 111.578 108.800 -0.036 0.000 2.225 643 G HA2 -0.336 3.625 3.960 0.002 0.000 0.254 643 G HA3 -0.336 3.625 3.960 0.002 0.000 0.254 643 G C 0.994 175.886 174.900 -0.015 0.000 0.988 643 G CA 0.494 45.584 45.100 -0.017 0.000 0.625 643 G HN 0.589 nan 8.290 nan 0.000 0.527 644 K N 0.603 120.982 120.400 -0.035 0.000 2.296 644 K HA 0.128 4.449 4.320 0.002 0.000 0.200 644 K C 2.746 179.344 176.600 -0.002 0.000 1.048 644 K CA 0.782 57.051 56.287 -0.029 0.000 0.966 644 K CB -0.335 32.138 32.500 -0.046 0.000 0.754 644 K HN 0.365 nan 8.250 nan 0.000 0.466 645 G N 2.871 111.664 108.800 -0.011 0.000 2.586 645 G HA2 -0.243 3.718 3.960 0.002 0.000 0.218 645 G HA3 -0.243 3.718 3.960 0.002 0.000 0.218 645 G C -1.031 173.962 174.900 0.156 0.000 1.216 645 G CA 0.832 46.002 45.100 0.118 0.000 0.786 645 G HN 0.231 nan 8.290 nan 0.000 0.583 646 P HA -0.054 nan 4.420 nan 0.000 0.216 646 P C 1.777 179.125 177.300 0.080 0.000 1.150 646 P CA 1.417 64.572 63.100 0.091 0.000 0.837 646 P CB -0.028 31.711 31.700 0.066 0.000 0.786 647 K N -0.641 119.795 120.400 0.060 0.000 2.057 647 K HA -0.071 4.250 4.320 0.002 0.000 0.207 647 K C 1.967 178.613 176.600 0.077 0.000 1.049 647 K CA 1.288 57.608 56.287 0.055 0.000 0.931 647 K CB -0.991 31.522 32.500 0.021 0.000 0.714 647 K HN 0.064 nan 8.250 nan 0.000 0.440 648 V N 1.607 121.556 119.914 0.059 0.000 2.295 648 V HA -0.227 3.894 4.120 0.002 0.000 0.246 648 V C 2.331 178.493 176.094 0.113 0.000 1.049 648 V CA 1.620 63.952 62.300 0.052 0.000 1.024 648 V CB -0.518 31.332 31.823 0.045 0.000 0.648 648 V HN 0.285 nan 8.190 nan 0.000 0.447 649 R N -0.359 120.212 120.500 0.118 0.000 2.081 649 R HA -0.141 4.200 4.340 0.002 0.000 0.235 649 R C 2.442 178.792 176.300 0.084 0.000 1.131 649 R CA 1.924 58.091 56.100 0.112 0.000 0.960 649 R CB -0.646 29.729 30.300 0.126 0.000 0.856 649 R HN 0.494 nan 8.270 nan 0.000 0.436 650 T N -0.164 114.443 114.554 0.088 0.000 2.777 650 T HA -0.194 4.157 4.350 0.002 0.000 0.266 650 T C 1.192 175.913 174.700 0.035 0.000 1.040 650 T CA 1.305 63.441 62.100 0.059 0.000 1.141 650 T CB -0.274 68.631 68.868 0.062 0.000 0.868 650 T HN 0.480 nan 8.240 nan 0.000 0.444 651 W N 1.542 122.773 121.300 -0.115 0.000 2.355 651 W HA -0.045 4.616 4.660 0.002 0.000 0.309 651 W C 1.765 178.106 176.519 -0.297 0.000 1.206 651 W CA 0.839 58.083 57.345 -0.168 0.000 1.284 651 W CB -0.447 28.923 29.460 -0.150 0.000 1.145 651 W HN 0.144 nan 8.180 nan 0.000 0.502 652 L N -0.104 121.139 121.223 0.034 0.000 2.043 652 L HA -0.305 4.036 4.340 0.002 0.000 0.212 652 L C 2.769 179.079 176.870 -0.935 0.000 1.075 652 L CA 1.796 56.299 54.840 -0.560 0.000 0.752 652 L CB -1.252 40.549 42.059 -0.430 0.000 0.891 652 L HN -0.014 nan 8.230 nan 0.000 0.432 653 S N -0.420 115.054 115.700 -0.377 0.000 2.345 653 S HA -0.178 4.293 4.470 0.002 0.000 0.219 653 S C 1.830 176.352 174.600 -0.130 0.000 1.031 653 S CA 1.557 59.705 58.200 -0.086 0.000 0.984 653 S CB -0.075 63.154 63.200 0.049 0.000 0.874 653 S HN 0.635 nan 8.310 nan 0.000 0.451 654 E N 0.091 120.165 120.200 -0.210 0.000 2.230 654 E HA 0.066 4.417 4.350 0.002 0.000 0.192 654 E C 1.157 177.539 176.600 -0.364 0.000 0.987 654 E CA 0.713 56.985 56.400 -0.213 0.000 0.841 654 E CB -0.129 29.480 29.700 -0.152 0.000 0.783 654 E HN 0.393 nan 8.360 nan 0.000 0.481 655 N N 0.594 118.895 118.700 -0.664 0.000 2.273 655 N HA 0.048 4.788 4.740 0.002 0.000 0.192 655 N C 1.780 176.739 175.510 -0.920 0.000 1.132 655 N CA 0.735 53.268 53.050 -0.863 0.000 0.887 655 N CB 0.542 38.228 38.487 -1.336 0.000 1.048 655 N HN 0.270 nan 8.380 nan 0.000 0.490 656 G N 1.771 109.938 108.800 -1.055 0.000 2.469 656 G HA2 -0.315 3.646 3.960 0.002 0.000 0.219 656 G HA3 -0.315 3.646 3.960 0.002 0.000 0.219 656 G C 1.386 175.942 174.900 -0.574 0.000 1.150 656 G CA 1.062 45.480 45.100 -1.137 0.000 0.763 656 G HN 0.424 nan 8.290 nan 0.000 0.561 657 E N -0.152 119.834 120.200 -0.357 0.000 2.072 657 E HA -0.106 4.245 4.350 0.002 0.000 0.190 657 E C 2.314 178.811 176.600 -0.171 0.000 0.982 657 E CA 0.853 57.104 56.400 -0.249 0.000 0.803 657 E CB -0.215 29.405 29.700 -0.134 0.000 0.755 657 E HN 0.374 nan 8.360 nan 0.000 0.453 658 E N 0.915 121.004 120.200 -0.185 0.000 2.085 658 E HA -0.234 4.117 4.350 0.002 0.000 0.194 658 E C 2.138 178.649 176.600 -0.149 0.000 0.994 658 E CA 1.121 57.433 56.400 -0.146 0.000 0.801 658 E CB -0.019 29.582 29.700 -0.164 0.000 0.743 658 E HN 0.108 nan 8.360 nan 0.000 0.453 659 R N -0.350 120.018 120.500 -0.220 0.000 2.073 659 R HA -0.054 4.287 4.340 0.002 0.000 0.229 659 R C 2.412 178.657 176.300 -0.091 0.000 1.120 659 R CA 0.553 56.561 56.100 -0.154 0.000 0.967 659 R CB -0.345 29.831 30.300 -0.207 0.000 0.862 659 R HN 0.134 nan 8.270 nan 0.000 0.436 660 L N 0.634 121.794 121.223 -0.106 0.000 2.081 660 L HA -0.169 4.172 4.340 0.002 0.000 0.212 660 L C 2.010 178.863 176.870 -0.029 0.000 1.080 660 L CA 2.150 56.961 54.840 -0.050 0.000 0.754 660 L CB -1.058 40.968 42.059 -0.055 0.000 0.893 660 L HN 0.294 nan 8.230 nan 0.000 0.433 661 S N -1.317 114.360 115.700 -0.038 0.000 2.607 661 S HA -0.054 4.417 4.470 0.002 0.000 0.224 661 S C 1.554 176.127 174.600 -0.045 0.000 0.969 661 S CA 0.120 58.306 58.200 -0.024 0.000 0.927 661 S CB -0.317 62.874 63.200 -0.015 0.000 0.772 661 S HN 0.483 nan 8.310 nan 0.000 0.533 662 R N 0.103 120.569 120.500 -0.057 0.000 2.466 662 R HA 0.449 4.790 4.340 0.002 0.000 0.279 662 R C -0.282 175.966 176.300 -0.086 0.000 0.976 662 R CA 0.072 56.129 56.100 -0.072 0.000 1.081 662 R CB 0.052 30.309 30.300 -0.071 0.000 1.215 662 R HN 0.440 nan 8.270 nan 0.000 0.546 663 M N 0.046 119.601 119.600 -0.075 0.000 2.530 663 M HA 0.535 5.016 4.480 0.002 0.000 0.307 663 M C -1.078 175.154 176.300 -0.112 0.000 1.161 663 M CA -0.874 54.373 55.300 -0.089 0.000 0.903 663 M CB 2.590 35.165 32.600 -0.041 0.000 1.711 663 M HN -0.075 nan 8.290 nan 0.000 0.451 664 A N 2.174 124.869 122.820 -0.208 0.000 2.319 664 A HA 0.801 5.122 4.320 0.002 0.000 0.310 664 A C -1.184 176.315 177.584 -0.141 0.000 1.152 664 A CA -0.637 51.261 52.037 -0.231 0.000 0.783 664 A CB 0.989 19.650 19.000 -0.565 0.000 1.184 664 A HN 0.595 nan 8.150 nan 0.000 0.474 665 V N 1.792 121.774 119.914 0.114 0.000 2.525 665 V HA 0.640 4.761 4.120 0.002 0.000 0.299 665 V C -0.005 176.230 176.094 0.234 0.000 1.034 665 V CA -0.378 62.019 62.300 0.162 0.000 0.863 665 V CB 1.914 33.757 31.823 0.033 0.000 0.999 665 V HN 0.869 nan 8.190 nan 0.000 0.423 666 S N 3.710 119.572 115.700 0.270 0.000 2.664 666 S HA 0.660 5.131 4.470 0.002 0.000 0.262 666 S C 0.517 175.113 174.600 -0.007 0.000 1.229 666 S CA 0.603 58.906 58.200 0.172 0.000 1.151 666 S CB 0.336 63.643 63.200 0.178 0.000 1.054 666 S HN 1.835 nan 8.310 nan 0.000 0.483 667 G N 5.015 113.621 108.800 -0.323 0.000 2.556 667 G HA2 -0.349 3.612 3.960 0.002 0.000 0.283 667 G HA3 -0.349 3.612 3.960 0.002 0.000 0.283 667 G C 0.362 174.973 174.900 -0.481 0.000 1.177 667 G CA 0.683 45.565 45.100 -0.364 0.000 0.978 667 G HN 0.845 nan 8.290 nan 0.000 0.554 668 D N 1.149 121.186 120.400 -0.604 0.000 2.363 668 D HA 0.190 4.831 4.640 0.002 0.000 0.226 668 D C 0.477 176.561 176.300 -0.361 0.000 1.020 668 D CA 1.019 54.465 54.000 -0.925 0.000 0.892 668 D CB 0.030 40.291 40.800 -0.898 0.000 0.900 668 D HN 0.350 nan 8.370 nan 0.000 0.531 669 D N -0.079 120.245 120.400 -0.127 0.000 2.177 669 D HA 0.378 5.019 4.640 0.002 0.000 0.247 669 D C -0.508 175.942 176.300 0.250 0.000 1.063 669 D CA -0.557 53.503 54.000 0.099 0.000 0.867 669 D CB 1.452 42.320 40.800 0.113 0.000 1.168 669 D HN 0.342 nan 8.370 nan 0.000 0.445 670 C N 0.905 120.365 119.300 0.266 0.000 3.239 670 C HA 0.858 5.319 4.460 0.002 0.000 0.317 670 C C -1.370 173.642 174.990 0.038 0.000 1.310 670 C CA -0.720 58.388 59.018 0.149 0.000 1.371 670 C CB 0.877 28.662 27.740 0.074 0.000 1.714 670 C HN 0.321 nan 8.230 nan 0.000 0.473 671 V N 1.871 121.679 119.914 -0.178 0.000 2.623 671 V HA 0.759 4.880 4.120 0.002 0.000 0.304 671 V C -0.649 175.372 176.094 -0.123 0.000 1.054 671 V CA -0.300 61.892 62.300 -0.180 0.000 0.882 671 V CB 1.654 33.216 31.823 -0.434 0.000 1.002 671 V HN 0.934 nan 8.190 nan 0.000 0.424 672 V N 4.020 123.907 119.914 -0.046 0.000 2.638 672 V HA 0.507 4.628 4.120 0.002 0.000 0.306 672 V C -0.288 175.720 176.094 -0.143 0.000 1.052 672 V CA -0.929 61.296 62.300 -0.124 0.000 0.885 672 V CB 2.103 33.807 31.823 -0.198 0.000 0.999 672 V HN 0.825 nan 8.190 nan 0.000 0.424 673 K N 6.536 126.851 120.400 -0.142 0.000 2.354 673 K HA 0.451 4.772 4.320 0.002 0.000 0.257 673 K C -2.539 173.969 176.600 -0.153 0.000 1.062 673 K CA -1.791 54.435 56.287 -0.102 0.000 0.971 673 K CB 1.670 34.142 32.500 -0.046 0.000 1.305 673 K HN 0.432 nan 8.250 nan 0.000 0.449 674 P HA 0.004 nan 4.420 nan 0.000 0.275 674 P C 0.700 177.975 177.300 -0.041 0.000 1.266 674 P CA -0.532 62.440 63.100 -0.213 0.000 0.793 674 P CB 0.846 32.316 31.700 -0.383 0.000 1.074 675 L N -0.074 121.155 121.223 0.010 0.000 2.187 675 L HA -0.076 4.265 4.340 0.002 0.000 0.213 675 L C 0.908 177.812 176.870 0.057 0.000 1.100 675 L CA 2.314 57.177 54.840 0.039 0.000 0.765 675 L CB -1.205 40.891 42.059 0.061 0.000 0.904 675 L HN 0.642 nan 8.230 nan 0.000 0.437 676 D N -5.602 114.842 120.400 0.075 0.000 2.738 676 D HA 0.083 4.724 4.640 0.002 0.000 0.308 676 D C -0.365 176.017 176.300 0.137 0.000 1.311 676 D CA -0.569 53.491 54.000 0.099 0.000 0.799 676 D CB -0.040 40.811 40.800 0.084 0.000 1.332 676 D HN -0.243 nan 8.370 nan 0.000 0.441 677 D N -0.759 119.735 120.400 0.157 0.000 2.319 677 D HA 0.067 4.708 4.640 0.002 0.000 0.230 677 D C 1.117 177.496 176.300 0.132 0.000 1.094 677 D CA 0.133 54.255 54.000 0.203 0.000 0.856 677 D CB 0.166 41.103 40.800 0.228 0.000 0.915 677 D HN 0.283 nan 8.370 nan 0.000 0.517 678 R N -0.232 120.330 120.500 0.103 0.000 2.193 678 R HA -0.092 4.249 4.340 0.002 0.000 0.229 678 R C 1.885 178.210 176.300 0.043 0.000 1.110 678 R CA 0.351 56.491 56.100 0.067 0.000 0.988 678 R CB -0.271 30.061 30.300 0.054 0.000 0.871 678 R HN 0.137 nan 8.270 nan 0.000 0.458 679 F N 1.644 121.510 119.950 -0.140 0.000 2.154 679 F HA -0.291 4.237 4.527 0.002 0.000 0.301 679 F C 2.267 177.863 175.800 -0.340 0.000 1.087 679 F CA 1.543 59.383 58.000 -0.266 0.000 1.274 679 F CB -0.245 38.509 39.000 -0.410 0.000 1.009 679 F HN 0.021 nan 8.300 nan 0.000 0.485 680 A N -0.821 121.885 122.820 -0.191 0.000 1.978 680 A HA -0.214 4.107 4.320 0.002 0.000 0.220 680 A C 2.023 179.551 177.584 -0.095 0.000 1.170 680 A CA 2.272 54.227 52.037 -0.136 0.000 0.636 680 A CB -1.323 17.738 19.000 0.101 0.000 0.810 680 A HN 0.513 nan 8.150 nan 0.000 0.448 681 T N -3.874 110.644 114.554 -0.059 0.000 3.044 681 T HA 0.240 4.591 4.350 0.002 0.000 0.260 681 T C 0.797 175.503 174.700 0.010 0.000 1.019 681 T CA 0.604 62.706 62.100 0.004 0.000 0.921 681 T CB -0.166 68.736 68.868 0.056 0.000 1.053 681 T HN 0.282 nan 8.240 nan 0.000 0.533 682 S N 1.630 117.268 115.700 -0.104 0.000 3.517 682 S HA 0.353 4.824 4.470 0.002 0.000 0.284 682 S C 0.590 175.111 174.600 -0.131 0.000 1.260 682 S CA -0.651 57.489 58.200 -0.100 0.000 0.975 682 S CB -1.039 62.022 63.200 -0.231 0.000 1.540 682 S HN 0.553 nan 8.310 nan 0.000 0.506 683 L N 3.235 124.461 121.223 0.004 0.000 3.086 683 L HA 0.306 4.647 4.340 0.002 0.000 0.274 683 L C 1.915 178.745 176.870 -0.068 0.000 1.184 683 L CA -0.361 54.412 54.840 -0.112 0.000 1.002 683 L CB -0.137 41.808 42.059 -0.191 0.000 1.383 683 L HN 0.561 nan 8.230 nan 0.000 0.582 684 H N -0.140 119.062 119.070 0.220 0.000 2.333 684 H HA -0.016 4.541 4.556 0.002 0.000 0.302 684 H C 1.951 177.330 175.328 0.084 0.000 1.075 684 H CA 1.888 58.092 56.048 0.260 0.000 1.348 684 H CB 0.094 29.991 29.762 0.225 0.000 1.393 684 H HN 0.224 nan 8.280 nan 0.000 0.509 685 F N 0.505 120.520 119.950 0.108 0.000 2.206 685 F HA -0.112 4.416 4.527 0.002 0.000 0.298 685 F C 2.531 178.317 175.800 -0.023 0.000 1.090 685 F CA 0.377 58.395 58.000 0.030 0.000 1.323 685 F CB -0.552 38.444 39.000 -0.005 0.000 1.028 685 F HN 0.001 nan 8.300 nan 0.000 0.492 686 L N 0.561 121.841 121.223 0.096 0.000 1.989 686 L HA -0.265 4.076 4.340 0.002 0.000 0.211 686 L C 1.868 178.687 176.870 -0.085 0.000 1.071 686 L CA 2.107 56.936 54.840 -0.018 0.000 0.749 686 L CB -0.963 41.039 42.059 -0.094 0.000 0.890 686 L HN 0.111 nan 8.230 nan 0.000 0.431 687 N N -0.976 117.619 118.700 -0.175 0.000 2.166 687 N HA -0.142 4.599 4.740 0.002 0.000 0.186 687 N C 1.708 177.139 175.510 -0.133 0.000 1.019 687 N CA 0.921 53.821 53.050 -0.250 0.000 0.856 687 N CB -0.240 37.916 38.487 -0.552 0.000 0.993 687 N HN 0.503 nan 8.380 nan 0.000 0.426 688 A N 0.797 123.569 122.820 -0.081 0.000 2.066 688 A HA 0.017 4.338 4.320 0.002 0.000 0.218 688 A C 1.873 179.419 177.584 -0.063 0.000 1.157 688 A CA 0.755 52.748 52.037 -0.074 0.000 0.670 688 A CB -0.248 18.671 19.000 -0.135 0.000 0.804 688 A HN 0.218 nan 8.150 nan 0.000 0.453 689 M N -0.519 119.055 119.600 -0.042 0.000 2.659 689 M HA 0.011 4.492 4.480 0.002 0.000 0.243 689 M C 0.687 176.945 176.300 -0.070 0.000 1.111 689 M CA 0.629 55.911 55.300 -0.030 0.000 1.070 689 M CB -0.178 32.427 32.600 0.009 0.000 1.525 689 M HN 0.343 nan 8.290 nan 0.000 0.517 690 S N -0.200 115.451 115.700 -0.082 0.000 3.261 690 S HA -0.093 4.378 4.470 0.002 0.000 0.287 690 S C 0.276 174.808 174.600 -0.112 0.000 1.281 690 S CA 0.881 59.021 58.200 -0.100 0.000 1.053 690 S CB -0.903 62.235 63.200 -0.104 0.000 1.251 690 S HN 0.459 nan 8.310 nan 0.000 0.659 691 K N 1.778 122.122 120.400 -0.095 0.000 3.001 691 K HA 0.336 4.657 4.320 0.002 0.000 0.257 691 K C -0.073 176.499 176.600 -0.046 0.000 1.290 691 K CA -0.084 56.171 56.287 -0.054 0.000 1.252 691 K CB -0.134 32.372 32.500 0.011 0.000 1.656 691 K HN 0.315 nan 8.250 nan 0.000 0.351 692 V N 2.162 122.028 119.914 -0.080 0.000 2.529 692 V HA -0.021 4.100 4.120 0.002 0.000 0.292 692 V C 0.985 177.050 176.094 -0.047 0.000 1.028 692 V CA -0.012 62.221 62.300 -0.111 0.000 1.074 692 V CB -0.038 31.707 31.823 -0.129 0.000 0.958 692 V HN 0.420 nan 8.190 nan 0.000 0.481 693 R N 3.871 124.334 120.500 -0.061 0.000 2.679 693 R HA 0.155 4.496 4.340 0.002 0.000 0.268 693 R C 0.322 176.626 176.300 0.007 0.000 1.044 693 R CA -0.210 55.888 56.100 -0.004 0.000 1.105 693 R CB 0.464 30.753 30.300 -0.018 0.000 0.989 693 R HN 0.567 nan 8.270 nan 0.000 0.447 694 K N 1.912 122.341 120.400 0.049 0.000 2.326 694 K HA -0.078 4.243 4.320 0.002 0.000 0.275 694 K C -0.520 176.102 176.600 0.036 0.000 1.018 694 K CA 0.127 56.444 56.287 0.050 0.000 0.962 694 K CB 0.509 33.057 32.500 0.080 0.000 0.953 694 K HN 0.575 nan 8.250 nan 0.000 0.475 695 D N 1.321 121.736 120.400 0.024 0.000 2.800 695 D HA -0.226 4.415 4.640 0.002 0.000 0.232 695 D C -0.629 175.676 176.300 0.009 0.000 1.137 695 D CA 1.073 55.086 54.000 0.021 0.000 0.718 695 D CB -1.064 39.758 40.800 0.037 0.000 1.084 695 D HN 0.547 nan 8.370 nan 0.000 0.432 696 I N -0.337 120.228 120.570 -0.008 0.000 2.785 696 I HA 0.076 4.247 4.170 0.002 0.000 0.293 696 I C -0.653 175.438 176.117 -0.043 0.000 1.446 696 I CA -0.608 60.680 61.300 -0.019 0.000 1.028 696 I CB 1.353 39.342 38.000 -0.018 0.000 1.349 696 I HN -0.227 nan 8.210 nan 0.000 0.438 697 Q N 4.482 124.261 119.800 -0.034 0.000 2.361 697 Q HA 0.022 4.363 4.340 0.002 0.000 0.276 697 Q C 0.875 176.808 176.000 -0.112 0.000 1.022 697 Q CA 0.452 56.230 55.803 -0.042 0.000 0.898 697 Q CB 0.880 29.621 28.738 0.005 0.000 1.246 697 Q HN 0.613 nan 8.270 nan 0.000 0.410 698 E N 1.915 121.998 120.200 -0.194 0.000 2.136 698 E HA -0.241 4.110 4.350 0.002 0.000 0.202 698 E C 0.204 176.374 176.600 -0.716 0.000 1.019 698 E CA 1.681 57.782 56.400 -0.499 0.000 0.819 698 E CB 0.122 29.454 29.700 -0.613 0.000 0.739 698 E HN 0.660 nan 8.360 nan 0.000 0.458 699 W N 0.417 121.675 121.300 -0.069 0.000 3.005 699 W HA 0.249 4.910 4.660 0.002 0.000 0.374 699 W C 0.229 176.710 176.519 -0.063 0.000 1.076 699 W CA -0.797 56.495 57.345 -0.089 0.000 1.794 699 W CB 0.588 29.995 29.460 -0.088 0.000 1.113 699 W HN -0.218 nan 8.180 nan 0.000 0.584 700 K N 2.236 122.676 120.400 0.067 0.000 2.276 700 K HA 0.219 4.540 4.320 0.002 0.000 0.283 700 K C -2.274 174.339 176.600 0.021 0.000 1.044 700 K CA -1.902 54.415 56.287 0.049 0.000 0.944 700 K CB 0.812 33.326 32.500 0.023 0.000 1.012 700 K HN -0.307 nan 8.250 nan 0.000 0.472 701 P HA -0.040 nan 4.420 nan 0.000 0.265 701 P C -0.888 176.430 177.300 0.028 0.000 1.187 701 P CA 0.077 63.195 63.100 0.029 0.000 0.766 701 P CB 0.763 32.491 31.700 0.046 0.000 0.820 702 S N 1.054 116.779 115.700 0.041 0.000 2.576 702 S HA 0.267 4.738 4.470 0.002 0.000 0.272 702 S C 0.202 174.898 174.600 0.160 0.000 1.352 702 S CA 0.058 58.324 58.200 0.111 0.000 1.021 702 S CB -0.107 63.203 63.200 0.184 0.000 0.887 702 S HN 0.427 nan 8.310 nan 0.000 0.542 703 T N 1.516 116.103 114.554 0.055 0.000 2.841 703 T HA 0.677 5.028 4.350 0.002 0.000 0.283 703 T C 0.475 174.944 174.700 -0.386 0.000 1.000 703 T CA -0.713 61.310 62.100 -0.129 0.000 0.977 703 T CB 1.828 70.552 68.868 -0.239 0.000 0.979 703 T HN 0.678 nan 8.240 nan 0.000 0.446 704 G N 0.668 109.046 108.800 -0.702 0.000 3.107 704 G HA2 0.696 4.657 3.960 0.002 0.000 0.232 704 G HA3 0.696 4.657 3.960 0.002 0.000 0.232 704 G C -1.356 172.981 174.900 -0.937 0.000 1.339 704 G CA -0.840 43.686 45.100 -0.957 0.000 1.033 704 G HN 0.581 nan 8.290 nan 0.000 0.567 705 W N -1.035 119.978 121.300 -0.478 0.000 2.706 705 W HA 0.447 5.108 4.660 0.002 0.000 0.346 705 W C -0.144 176.148 176.519 -0.378 0.000 1.071 705 W CA -0.374 56.759 57.345 -0.353 0.000 1.206 705 W CB 1.691 31.047 29.460 -0.173 0.000 1.413 705 W HN 0.544 nan 8.180 nan 0.000 0.542 706 Y N -0.136 120.236 120.300 0.120 0.000 2.503 706 Y HA -0.008 4.543 4.550 0.002 0.000 0.277 706 Y C 0.979 176.930 175.900 0.084 0.000 1.102 706 Y CA 0.598 58.738 58.100 0.068 0.000 1.261 706 Y CB 0.163 38.638 38.460 0.025 0.000 1.096 706 Y HN 0.069 nan 8.280 nan 0.000 0.546 707 D N 0.394 120.927 120.400 0.222 0.000 2.349 707 D HA 0.007 4.648 4.640 0.002 0.000 0.232 707 D C 0.908 177.202 176.300 -0.009 0.000 1.071 707 D CA -0.839 53.186 54.000 0.042 0.000 0.832 707 D CB 0.483 41.250 40.800 -0.054 0.000 1.086 707 D HN 0.361 nan 8.370 nan 0.000 0.504 708 W N 3.553 124.862 121.300 0.015 0.000 2.424 708 W HA -0.150 4.511 4.660 0.002 0.000 0.264 708 W C 0.466 176.966 176.519 -0.033 0.000 1.229 708 W CA 0.281 57.605 57.345 -0.034 0.000 1.208 708 W CB -0.536 28.899 29.460 -0.041 0.000 1.127 708 W HN 0.455 nan 8.180 nan 0.000 0.588 709 Q N 0.921 120.328 119.800 -0.656 0.000 2.432 709 Q HA -0.132 4.209 4.340 0.002 0.000 0.205 709 Q C 2.310 178.128 176.000 -0.304 0.000 0.945 709 Q CA 1.362 56.770 55.803 -0.658 0.000 0.924 709 Q CB -0.008 28.181 28.738 -0.914 0.000 1.016 709 Q HN 0.621 nan 8.270 nan 0.000 0.503 710 Q N -0.470 119.160 119.800 -0.283 0.000 2.247 710 Q HA 0.151 4.492 4.340 0.002 0.000 0.211 710 Q C -0.209 175.462 176.000 -0.549 0.000 0.861 710 Q CA -0.080 55.529 55.803 -0.324 0.000 0.949 710 Q CB 0.687 29.291 28.738 -0.224 0.000 1.115 710 Q HN -0.032 nan 8.270 nan 0.000 0.507 711 V N 4.495 124.087 119.914 -0.536 0.000 2.521 711 V HA 0.223 4.344 4.120 0.002 0.000 0.286 711 V C -2.112 173.781 176.094 -0.334 0.000 1.034 711 V CA -1.312 60.514 62.300 -0.792 0.000 1.045 711 V CB 0.556 32.121 31.823 -0.431 0.000 0.974 711 V HN 0.302 nan 8.190 nan 0.000 0.480 712 P HA 0.475 nan 4.420 nan 0.000 0.284 712 P C -1.064 176.351 177.300 0.191 0.000 1.253 712 P CA -0.342 62.743 63.100 -0.025 0.000 0.800 712 P CB 0.698 32.376 31.700 -0.037 0.000 0.961 713 F N 3.205 123.235 119.950 0.132 0.000 2.623 713 F HA 0.218 4.747 4.527 0.002 0.000 0.323 713 F C -0.708 175.242 175.800 0.250 0.000 1.158 713 F CA -1.012 57.098 58.000 0.183 0.000 1.030 713 F CB 0.661 39.781 39.000 0.200 0.000 1.280 713 F HN 0.529 nan 8.300 nan 0.000 0.474 714 C N 4.158 123.311 119.300 -0.246 0.000 4.167 714 C HA -0.114 4.347 4.460 0.002 0.000 0.302 714 C C 1.262 176.245 174.990 -0.012 0.000 1.384 714 C CA 1.116 60.011 59.018 -0.206 0.000 2.041 714 C CB -3.163 24.375 27.740 -0.337 0.000 1.303 714 C HN 1.228 nan 8.230 nan 0.000 0.718 715 S N -1.429 114.284 115.700 0.022 0.000 3.228 715 S HA -0.183 4.288 4.470 0.002 0.000 0.282 715 S C -0.084 174.496 174.600 -0.032 0.000 1.286 715 S CA 1.521 59.734 58.200 0.021 0.000 1.066 715 S CB -0.831 62.392 63.200 0.039 0.000 1.277 715 S HN 0.899 nan 8.310 nan 0.000 0.661 716 N N 0.610 119.264 118.700 -0.077 0.000 2.525 716 N HA 0.405 5.146 4.740 0.002 0.000 0.270 716 N C -0.877 174.424 175.510 -0.348 0.000 1.321 716 N CA -0.659 52.184 53.050 -0.346 0.000 0.797 716 N CB 1.512 39.649 38.487 -0.583 0.000 1.529 716 N HN 0.480 nan 8.380 nan 0.000 0.491 717 H N -0.689 118.157 119.070 -0.374 0.000 2.693 717 H HA 0.601 5.158 4.556 0.002 0.000 0.348 717 H C -1.111 173.891 175.328 -0.544 0.000 1.222 717 H CA -0.409 55.477 56.048 -0.271 0.000 1.270 717 H CB 1.063 30.725 29.762 -0.166 0.000 1.798 717 H HN 0.307 nan 8.280 nan 0.000 0.592 718 F N -0.180 119.855 119.950 0.142 0.000 2.551 718 F HA 0.434 4.962 4.527 0.002 0.000 0.316 718 F C -0.189 175.607 175.800 -0.007 0.000 1.089 718 F CA -0.552 57.511 58.000 0.105 0.000 0.915 718 F CB 2.622 41.749 39.000 0.211 0.000 1.186 718 F HN 0.499 nan 8.300 nan 0.000 0.456 719 T N 0.341 114.947 114.554 0.087 0.000 2.876 719 T HA 0.359 4.710 4.350 0.002 0.000 0.289 719 T C -0.800 173.886 174.700 -0.023 0.000 1.014 719 T CA -1.047 61.007 62.100 -0.077 0.000 0.986 719 T CB 1.862 70.665 68.868 -0.107 0.000 1.021 719 T HN 0.438 nan 8.240 nan 0.000 0.458 720 E N 1.585 121.767 120.200 -0.031 0.000 2.259 720 E HA 0.369 4.720 4.350 0.002 0.000 0.281 720 E C -0.881 175.726 176.600 0.012 0.000 1.037 720 E CA -0.292 56.139 56.400 0.052 0.000 0.854 720 E CB 0.814 30.586 29.700 0.119 0.000 1.051 720 E HN 0.360 nan 8.360 nan 0.000 0.409 721 L N 5.055 126.296 121.223 0.029 0.000 2.356 721 L HA 0.458 4.799 4.340 0.002 0.000 0.277 721 L C -0.746 176.177 176.870 0.088 0.000 0.996 721 L CA -0.776 54.086 54.840 0.037 0.000 0.822 721 L CB 1.325 43.386 42.059 0.004 0.000 1.256 721 L HN 0.474 nan 8.230 nan 0.000 0.413 722 I N 4.214 124.837 120.570 0.088 0.000 2.304 722 I HA 0.275 4.446 4.170 0.002 0.000 0.291 722 I C 0.348 176.525 176.117 0.100 0.000 1.018 722 I CA -0.217 61.141 61.300 0.097 0.000 1.260 722 I CB 1.398 39.448 38.000 0.084 0.000 1.390 722 I HN 0.533 nan 8.210 nan 0.000 0.475 723 M N 4.960 124.625 119.600 0.107 0.000 2.157 723 M HA 0.202 4.683 4.480 0.002 0.000 0.304 723 M C 1.366 177.708 176.300 0.069 0.000 1.171 723 M CA -0.104 55.250 55.300 0.091 0.000 1.157 723 M CB 0.462 33.123 32.600 0.101 0.000 1.403 723 M HN 0.453 nan 8.290 nan 0.000 0.473 724 K N 0.804 121.234 120.400 0.049 0.000 2.103 724 K HA -0.194 4.127 4.320 0.002 0.000 0.207 724 K C 0.987 177.613 176.600 0.042 0.000 1.048 724 K CA 1.921 58.233 56.287 0.043 0.000 0.930 724 K CB -0.332 32.185 32.500 0.028 0.000 0.716 724 K HN 0.750 nan 8.250 nan 0.000 0.444 725 D N -1.158 119.268 120.400 0.043 0.000 2.338 725 D HA 0.026 4.667 4.640 0.002 0.000 0.239 725 D C 1.024 177.358 176.300 0.057 0.000 1.095 725 D CA 0.746 54.773 54.000 0.046 0.000 0.888 725 D CB 0.211 41.037 40.800 0.043 0.000 0.899 725 D HN 0.310 nan 8.370 nan 0.000 0.525 726 G N 0.033 108.872 108.800 0.064 0.000 2.241 726 G HA2 -0.335 3.626 3.960 0.002 0.000 0.244 726 G HA3 -0.335 3.626 3.960 0.002 0.000 0.244 726 G C 0.428 175.379 174.900 0.085 0.000 0.998 726 G CA -0.105 45.036 45.100 0.069 0.000 0.621 726 G HN 0.463 nan 8.290 nan 0.000 0.519 727 R N 0.952 121.510 120.500 0.097 0.000 2.643 727 R HA 0.437 4.778 4.340 0.002 0.000 0.270 727 R C -0.269 176.116 176.300 0.142 0.000 1.061 727 R CA 0.770 56.943 56.100 0.122 0.000 1.107 727 R CB 0.320 30.699 30.300 0.133 0.000 0.999 727 R HN 0.185 nan 8.270 nan 0.000 0.460 728 T N 4.079 118.732 114.554 0.165 0.000 2.758 728 T HA 0.338 4.689 4.350 0.002 0.000 0.285 728 T C 0.289 175.134 174.700 0.242 0.000 0.981 728 T CA -0.623 61.584 62.100 0.179 0.000 0.965 728 T CB 0.655 69.623 68.868 0.168 0.000 0.927 728 T HN 0.244 nan 8.240 nan 0.000 0.448 729 L N 2.590 123.944 121.223 0.218 0.000 2.421 729 L HA 0.627 4.968 4.340 0.002 0.000 0.263 729 L C -0.191 176.753 176.870 0.123 0.000 1.122 729 L CA -1.064 53.935 54.840 0.264 0.000 0.804 729 L CB 0.901 43.054 42.059 0.156 0.000 1.150 729 L HN 0.289 nan 8.230 nan 0.000 0.457 730 V N 0.422 120.309 119.914 -0.045 0.000 2.350 730 V HA 0.401 4.522 4.120 0.002 0.000 0.285 730 V C 0.013 176.124 176.094 0.028 0.000 1.014 730 V CA -0.475 61.663 62.300 -0.270 0.000 0.831 730 V CB 1.463 32.747 31.823 -0.898 0.000 1.000 730 V HN 0.913 nan 8.190 nan 0.000 0.433 731 T N 3.900 118.491 114.554 0.062 0.000 2.885 731 T HA 0.684 5.035 4.350 0.002 0.000 0.285 731 T C -2.921 171.848 174.700 0.115 0.000 1.019 731 T CA -2.440 59.729 62.100 0.116 0.000 1.010 731 T CB 2.482 71.157 68.868 -0.322 0.000 1.022 731 T HN 0.416 nan 8.240 nan 0.000 0.466 732 P HA 0.436 nan 4.420 nan 0.000 0.278 732 P C -0.854 176.426 177.300 -0.034 0.000 1.238 732 P CA -0.399 62.594 63.100 -0.178 0.000 0.794 732 P CB 0.874 32.507 31.700 -0.111 0.000 0.955 733 C N 3.658 122.784 119.300 -0.290 0.000 2.985 733 C HA 0.786 5.247 4.460 0.002 0.000 0.314 733 C C -0.683 173.932 174.990 -0.626 0.000 1.215 733 C CA -0.318 58.610 59.018 -0.150 0.000 1.414 733 C CB 1.421 29.142 27.740 -0.031 0.000 1.842 733 C HN 0.903 nan 8.230 nan 0.000 0.477 734 R N 2.934 123.219 120.500 -0.358 0.000 2.752 734 R HA 0.670 5.011 4.340 0.002 0.000 0.271 734 R C -0.036 176.168 176.300 -0.161 0.000 1.026 734 R CA -0.433 55.486 56.100 -0.301 0.000 0.901 734 R CB 0.609 30.765 30.300 -0.240 0.000 1.243 734 R HN 1.026 nan 8.270 nan 0.000 0.463 735 G N 0.638 109.402 108.800 -0.060 0.000 2.265 735 G HA2 -0.089 3.872 3.960 0.002 0.000 0.240 735 G HA3 -0.089 3.872 3.960 0.002 0.000 0.240 735 G C 0.183 174.998 174.900 -0.141 0.000 1.270 735 G CA -0.163 44.905 45.100 -0.053 0.000 0.901 735 G HN 0.726 nan 8.290 nan 0.000 0.507 736 Q N 1.153 120.874 119.800 -0.131 0.000 2.311 736 Q HA -0.086 4.255 4.340 0.002 0.000 0.203 736 Q C 1.321 177.219 176.000 -0.170 0.000 0.954 736 Q CA 0.851 56.524 55.803 -0.217 0.000 0.885 736 Q CB 0.142 28.780 28.738 -0.168 0.000 0.963 736 Q HN 0.686 nan 8.270 nan 0.000 0.471 737 D N 0.846 121.212 120.400 -0.056 0.000 2.144 737 D HA -0.201 4.440 4.640 0.002 0.000 0.200 737 D C 1.714 177.970 176.300 -0.073 0.000 0.978 737 D CA 1.455 55.452 54.000 -0.004 0.000 0.833 737 D CB -0.066 40.749 40.800 0.025 0.000 0.961 737 D HN 0.561 nan 8.370 nan 0.000 0.470 738 E N 0.764 120.907 120.200 -0.096 0.000 2.107 738 E HA -0.113 4.238 4.350 0.002 0.000 0.191 738 E C 2.326 178.850 176.600 -0.127 0.000 0.982 738 E CA 0.428 56.766 56.400 -0.103 0.000 0.809 738 E CB -0.574 29.075 29.700 -0.085 0.000 0.756 738 E HN 0.256 nan 8.360 nan 0.000 0.459 739 L N 1.408 122.516 121.223 -0.193 0.000 1.970 739 L HA -0.177 4.164 4.340 0.002 0.000 0.212 739 L C 2.904 179.729 176.870 -0.075 0.000 1.071 739 L CA 1.614 56.341 54.840 -0.188 0.000 0.751 739 L CB -0.644 41.114 42.059 -0.501 0.000 0.889 739 L HN 0.163 nan 8.230 nan 0.000 0.432 740 V N -0.016 119.741 119.914 -0.262 0.000 2.343 740 V HA -0.154 3.967 4.120 0.002 0.000 0.247 740 V C 2.289 178.286 176.094 -0.162 0.000 1.051 740 V CA 2.151 64.310 62.300 -0.234 0.000 1.036 740 V CB -0.868 30.554 31.823 -0.668 0.000 0.654 740 V HN 0.481 nan 8.190 nan 0.000 0.451 741 G N 0.018 108.732 108.800 -0.144 0.000 2.469 741 G HA2 -0.382 3.579 3.960 0.002 0.000 0.219 741 G HA3 -0.382 3.579 3.960 0.002 0.000 0.219 741 G C 1.674 176.475 174.900 -0.165 0.000 1.150 741 G CA 1.135 46.163 45.100 -0.121 0.000 0.763 741 G HN 0.556 nan 8.290 nan 0.000 0.561 742 R N 1.014 121.402 120.500 -0.186 0.000 2.075 742 R HA 0.145 4.486 4.340 0.002 0.000 0.232 742 R C 2.768 178.786 176.300 -0.470 0.000 1.126 742 R CA 1.738 57.687 56.100 -0.251 0.000 0.963 742 R CB -0.808 29.402 30.300 -0.150 0.000 0.858 742 R HN 0.246 nan 8.270 nan 0.000 0.435 743 A N 0.386 122.794 122.820 -0.687 0.000 1.972 743 A HA -0.101 4.220 4.320 0.002 0.000 0.219 743 A C 2.043 179.311 177.584 -0.525 0.000 1.169 743 A CA 1.350 52.691 52.037 -1.159 0.000 0.635 743 A CB -0.405 18.132 19.000 -0.773 0.000 0.810 743 A HN 0.339 nan 8.150 nan 0.000 0.446 744 R N -0.768 119.559 120.500 -0.287 0.000 2.280 744 R HA 0.132 4.473 4.340 0.002 0.000 0.207 744 R C -0.292 175.937 176.300 -0.118 0.000 1.043 744 R CA 0.238 56.246 56.100 -0.153 0.000 1.006 744 R CB -0.238 30.003 30.300 -0.100 0.000 0.885 744 R HN 0.472 nan 8.270 nan 0.000 0.467 745 I N 0.655 121.135 120.570 -0.149 0.000 2.371 745 I HA 0.032 4.203 4.170 0.002 0.000 0.290 745 I C 0.212 176.324 176.117 -0.009 0.000 1.028 745 I CA -0.036 61.216 61.300 -0.079 0.000 1.345 745 I CB 1.629 39.566 38.000 -0.105 0.000 1.407 745 I HN -0.118 nan 8.210 nan 0.000 0.501 746 S N 7.224 122.934 115.700 0.018 0.000 2.475 746 S HA 0.619 5.090 4.470 0.002 0.000 0.298 746 S C -2.234 172.406 174.600 0.065 0.000 1.119 746 S CA -1.299 56.938 58.200 0.061 0.000 1.085 746 S CB 1.177 64.407 63.200 0.049 0.000 1.028 746 S HN 0.339 nan 8.310 nan 0.000 0.489 753 V N 3.417 123.363 119.914 0.054 0.000 2.667 753 V HA -0.068 4.053 4.120 0.002 0.000 0.252 753 V C 2.617 178.802 176.094 0.152 0.000 1.065 753 V CA 1.061 63.430 62.300 0.114 0.000 1.083 753 V CB -0.427 31.485 31.823 0.149 0.000 0.692 753 V HN 0.619 nan 8.190 nan 0.000 0.468 754 R N 1.333 121.839 120.500 0.009 0.000 2.082 754 R HA -0.129 4.212 4.340 0.002 0.000 0.234 754 R C 0.095 176.368 176.300 -0.044 0.000 1.136 754 R CA 1.900 57.862 56.100 -0.229 0.000 0.935 754 R CB -0.339 29.676 30.300 -0.475 0.000 0.842 754 R HN 0.706 nan 8.270 nan 0.000 0.430 755 D N -1.223 119.165 120.400 -0.020 0.000 2.446 755 D HA 0.056 4.697 4.640 0.002 0.000 0.251 755 D C 0.458 176.792 176.300 0.057 0.000 1.137 755 D CA -0.227 53.804 54.000 0.051 0.000 0.890 755 D CB 1.773 42.592 40.800 0.031 0.000 1.071 755 D HN -0.025 nan 8.370 nan 0.000 0.528 756 T N -0.057 114.549 114.554 0.087 0.000 2.904 756 T HA -0.127 4.224 4.350 0.002 0.000 0.267 756 T C 1.955 176.745 174.700 0.149 0.000 1.059 756 T CA 1.058 63.225 62.100 0.111 0.000 1.137 756 T CB -0.150 68.774 68.868 0.093 0.000 0.879 756 T HN 0.343 nan 8.240 nan 0.000 0.467 757 A N 0.349 123.296 122.820 0.210 0.000 1.933 757 A HA -0.024 4.297 4.320 0.002 0.000 0.218 757 A C 2.790 180.534 177.584 0.268 0.000 1.175 757 A CA 1.630 53.831 52.037 0.274 0.000 0.628 757 A CB -1.378 17.892 19.000 0.449 0.000 0.814 757 A HN 0.719 nan 8.150 nan 0.000 0.444 758 C N -1.522 117.929 119.300 0.251 0.000 2.450 758 C HA 0.049 4.510 4.460 0.002 0.000 0.279 758 C C 2.472 177.545 174.990 0.140 0.000 1.335 758 C CA 0.915 60.055 59.018 0.202 0.000 1.749 758 C CB -1.173 26.644 27.740 0.128 0.000 1.963 758 C HN 0.658 nan 8.230 nan 0.000 0.501 759 L N 1.969 123.272 121.223 0.133 0.000 2.044 759 L HA 0.083 4.424 4.340 0.002 0.000 0.205 759 L C 2.621 179.608 176.870 0.195 0.000 1.075 759 L CA 2.270 57.197 54.840 0.144 0.000 0.747 759 L CB -1.185 40.977 42.059 0.172 0.000 0.903 759 L HN 0.239 nan 8.230 nan 0.000 0.435 760 A N -0.447 122.472 122.820 0.164 0.000 1.917 760 A HA -0.332 3.989 4.320 0.002 0.000 0.219 760 A C 2.475 180.088 177.584 0.049 0.000 1.182 760 A CA 2.304 54.404 52.037 0.105 0.000 0.633 760 A CB -0.707 18.338 19.000 0.075 0.000 0.819 760 A HN 0.519 nan 8.150 nan 0.000 0.448 761 K N -0.003 120.444 120.400 0.079 0.000 2.148 761 K HA -0.115 4.206 4.320 0.002 0.000 0.204 761 K C 2.158 178.775 176.600 0.029 0.000 1.050 761 K CA 1.502 57.825 56.287 0.059 0.000 0.942 761 K CB -0.124 32.450 32.500 0.123 0.000 0.724 761 K HN 0.609 nan 8.250 nan 0.000 0.446 762 S N -0.136 115.585 115.700 0.036 0.000 2.368 762 S HA -0.145 4.326 4.470 0.002 0.000 0.224 762 S C 1.810 176.268 174.600 -0.236 0.000 1.029 762 S CA 0.921 59.141 58.200 0.034 0.000 0.988 762 S CB -0.710 62.529 63.200 0.066 0.000 0.838 762 S HN 0.311 nan 8.310 nan 0.000 0.462 763 Y N 2.472 122.584 120.300 -0.314 0.000 2.097 763 Y HA -0.182 4.369 4.550 0.002 0.000 0.282 763 Y C 3.030 178.305 175.900 -1.041 0.000 1.152 763 Y CA 1.080 58.746 58.100 -0.723 0.000 1.136 763 Y CB -0.949 37.057 38.460 -0.756 0.000 0.975 763 Y HN 0.306 nan 8.280 nan 0.000 0.498 764 A N 0.052 122.532 122.820 -0.567 0.000 1.884 764 A HA -0.349 3.972 4.320 0.002 0.000 0.219 764 A C 2.069 179.575 177.584 -0.130 0.000 1.197 764 A CA 2.426 54.266 52.037 -0.329 0.000 0.637 764 A CB -0.910 18.015 19.000 -0.125 0.000 0.827 764 A HN 0.605 nan 8.150 nan 0.000 0.450 765 Q N -1.761 117.987 119.800 -0.088 0.000 2.172 765 Q HA -0.066 4.275 4.340 0.002 0.000 0.200 765 Q C 2.210 178.250 176.000 0.067 0.000 0.964 765 Q CA 1.023 56.867 55.803 0.067 0.000 0.855 765 Q CB -0.204 28.633 28.738 0.164 0.000 0.918 765 Q HN 0.724 nan 8.270 nan 0.000 0.444 766 M N -0.135 119.246 119.600 -0.365 0.000 2.065 766 M HA -0.204 4.277 4.480 0.002 0.000 0.259 766 M C 1.338 177.567 176.300 -0.118 0.000 1.069 766 M CA 1.732 56.522 55.300 -0.850 0.000 1.110 766 M CB -0.392 31.268 32.600 -1.566 0.000 1.328 766 M HN 0.359 nan 8.290 nan 0.000 0.405 767 W N 0.761 122.034 121.300 -0.045 0.000 2.358 767 W HA -0.143 4.519 4.660 0.002 0.000 0.303 767 W C 2.348 178.985 176.519 0.196 0.000 1.208 767 W CA 0.756 58.182 57.345 0.135 0.000 1.274 767 W CB -1.529 27.982 29.460 0.085 0.000 1.138 767 W HN 0.284 nan 8.180 nan 0.000 0.515 768 L N -0.525 120.943 121.223 0.409 0.000 2.131 768 L HA -0.207 4.134 4.340 0.002 0.000 0.210 768 L C 2.512 179.835 176.870 0.754 0.000 1.092 768 L CA 0.803 55.882 54.840 0.399 0.000 0.759 768 L CB -0.827 41.321 42.059 0.148 0.000 0.903 768 L HN -0.031 nan 8.230 nan 0.000 0.435 769 L N -0.533 121.084 121.223 0.657 0.000 2.044 769 L HA -0.151 4.190 4.340 0.002 0.000 0.205 769 L C 2.179 179.610 176.870 0.935 0.000 1.075 769 L CA 1.638 56.950 54.840 0.786 0.000 0.747 769 L CB 0.058 42.472 42.059 0.592 0.000 0.903 769 L HN 0.301 nan 8.230 nan 0.000 0.435 770 L N -2.600 118.923 121.223 0.500 0.000 2.425 770 L HA -0.047 4.294 4.340 0.002 0.000 0.215 770 L C 0.869 177.573 176.870 -0.276 0.000 1.065 770 L CA 0.287 55.200 54.840 0.121 0.000 0.842 770 L CB 0.135 41.935 42.059 -0.430 0.000 1.033 770 L HN 0.155 nan 8.230 nan 0.000 0.474 771 Y N -1.223 119.144 120.300 0.111 0.000 2.706 771 Y HA 0.090 4.641 4.550 0.002 0.000 0.255 771 Y C 1.650 177.297 175.900 -0.422 0.000 1.163 771 Y CA -0.832 57.050 58.100 -0.363 0.000 1.174 771 Y CB -0.076 38.206 38.460 -0.296 0.000 1.200 771 Y HN 0.068 nan 8.280 nan 0.000 0.544 772 F N -0.317 119.715 119.950 0.137 0.000 2.236 772 F HA -0.296 4.232 4.527 0.002 0.000 0.302 772 F C 2.245 178.060 175.800 0.024 0.000 1.073 772 F CA 1.611 59.681 58.000 0.116 0.000 1.336 772 F CB -1.052 38.121 39.000 0.289 0.000 1.040 772 F HN 0.293 nan 8.300 nan 0.000 0.507 773 H N -0.234 118.578 119.070 -0.429 0.000 2.556 773 H HA 0.239 4.796 4.556 0.002 0.000 0.268 773 H C -0.230 175.193 175.328 0.157 0.000 0.996 773 H CA 0.049 56.026 56.048 -0.118 0.000 1.157 773 H CB -0.423 29.152 29.762 -0.312 0.000 1.355 773 H HN 0.194 nan 8.280 nan 0.000 0.597 774 R N 1.751 122.167 120.500 -0.141 0.000 2.265 774 R HA 0.271 4.612 4.340 0.002 0.000 0.328 774 R C 0.861 177.213 176.300 0.088 0.000 0.969 774 R CA -0.506 55.558 56.100 -0.061 0.000 0.832 774 R CB 1.361 31.500 30.300 -0.267 0.000 1.139 774 R HN 0.234 nan 8.270 nan 0.000 0.457 775 R N 0.909 121.456 120.500 0.079 0.000 2.083 775 R HA -0.161 4.180 4.340 0.002 0.000 0.237 775 R C 0.686 177.043 176.300 0.096 0.000 1.137 775 R CA 1.952 58.052 56.100 0.000 0.000 0.951 775 R CB 0.165 30.346 30.300 -0.199 0.000 0.851 775 R HN 0.526 nan 8.270 nan 0.000 0.434 776 D N 0.089 120.545 120.400 0.094 0.000 2.178 776 D HA -0.103 4.538 4.640 0.002 0.000 0.202 776 D C 1.854 178.185 176.300 0.050 0.000 0.974 776 D CA 0.972 55.094 54.000 0.203 0.000 0.841 776 D CB -0.037 40.888 40.800 0.208 0.000 0.953 776 D HN 0.227 nan 8.370 nan 0.000 0.478 777 L N -0.050 121.077 121.223 -0.159 0.000 2.131 777 L HA 0.013 4.354 4.340 0.002 0.000 0.206 777 L C 2.526 179.405 176.870 0.015 0.000 1.087 777 L CA 0.506 55.147 54.840 -0.332 0.000 0.767 777 L CB -0.210 41.424 42.059 -0.709 0.000 0.917 777 L HN -0.075 nan 8.230 nan 0.000 0.441 778 R N 0.763 121.311 120.500 0.079 0.000 2.073 778 R HA -0.177 4.164 4.340 0.002 0.000 0.234 778 R C 2.354 178.689 176.300 0.058 0.000 1.134 778 R CA 1.415 57.571 56.100 0.094 0.000 0.952 778 R CB -0.346 30.060 30.300 0.178 0.000 0.850 778 R HN 0.236 nan 8.270 nan 0.000 0.433 779 L N 0.007 121.284 121.223 0.091 0.000 2.017 779 L HA -0.189 4.152 4.340 0.002 0.000 0.208 779 L C 2.464 179.338 176.870 0.007 0.000 1.073 779 L CA 1.771 56.621 54.840 0.016 0.000 0.745 779 L CB -0.193 41.872 42.059 0.010 0.000 0.894 779 L HN 0.403 nan 8.230 nan 0.000 0.432 780 M N -1.027 118.676 119.600 0.172 0.000 2.229 780 M HA -0.178 4.303 4.480 0.002 0.000 0.264 780 M C 2.131 178.590 176.300 0.266 0.000 1.063 780 M CA 1.729 57.203 55.300 0.290 0.000 1.114 780 M CB -0.085 32.767 32.600 0.420 0.000 1.387 780 M HN 0.414 nan 8.290 nan 0.000 0.420 781 A N 0.686 123.680 122.820 0.290 0.000 1.898 781 A HA -0.158 4.163 4.320 0.002 0.000 0.216 781 A C 1.748 179.359 177.584 0.044 0.000 1.181 781 A CA 1.758 53.927 52.037 0.219 0.000 0.620 781 A CB -0.832 18.322 19.000 0.257 0.000 0.819 781 A HN 0.588 nan 8.150 nan 0.000 0.442 782 N N 0.446 119.139 118.700 -0.012 0.000 2.244 782 N HA -0.092 4.649 4.740 0.002 0.000 0.183 782 N C 1.883 177.420 175.510 0.045 0.000 1.016 782 N CA 1.334 54.369 53.050 -0.025 0.000 0.866 782 N CB -0.418 38.034 38.487 -0.058 0.000 0.980 782 N HN 0.483 nan 8.380 nan 0.000 0.430 783 A N 1.380 124.205 122.820 0.009 0.000 1.877 783 A HA -0.061 4.260 4.320 0.002 0.000 0.216 783 A C 2.316 179.924 177.584 0.039 0.000 1.186 783 A CA 0.866 52.900 52.037 -0.005 0.000 0.620 783 A CB -0.597 18.368 19.000 -0.058 0.000 0.822 783 A HN 0.173 nan 8.150 nan 0.000 0.443 784 I N -0.546 120.061 120.570 0.062 0.000 2.179 784 I HA -0.312 3.859 4.170 0.002 0.000 0.242 784 I C 2.372 178.538 176.117 0.082 0.000 1.088 784 I CA 1.181 62.519 61.300 0.062 0.000 1.357 784 I CB -0.482 37.543 38.000 0.042 0.000 1.051 784 I HN 0.351 nan 8.210 nan 0.000 0.409 785 C N 0.074 119.425 119.300 0.085 0.000 2.432 785 C HA -0.084 4.377 4.460 0.002 0.000 0.282 785 C C 3.023 178.225 174.990 0.352 0.000 1.388 785 C CA 0.947 60.048 59.018 0.137 0.000 1.777 785 C CB -1.074 26.609 27.740 -0.095 0.000 1.882 785 C HN 0.474 nan 8.230 nan 0.000 0.520 786 S N 0.578 116.443 115.700 0.274 0.000 2.446 786 S HA 0.078 4.549 4.470 0.002 0.000 0.225 786 S C 1.976 176.602 174.600 0.042 0.000 1.016 786 S CA 0.983 59.275 58.200 0.154 0.000 0.943 786 S CB -0.107 63.126 63.200 0.054 0.000 0.786 786 S HN 0.727 nan 8.310 nan 0.000 0.508 787 A N 0.739 123.574 122.820 0.025 0.000 2.169 787 A HA 0.388 4.709 4.320 0.002 0.000 0.210 787 A C 0.708 178.325 177.584 0.055 0.000 1.168 787 A CA 0.102 52.093 52.037 -0.078 0.000 0.813 787 A CB 0.224 19.195 19.000 -0.049 0.000 0.861 787 A HN 0.254 nan 8.150 nan 0.000 0.481 788 V N 1.701 121.703 119.914 0.146 0.000 2.427 788 V HA 0.290 4.411 4.120 0.002 0.000 0.286 788 V C -2.524 173.576 176.094 0.009 0.000 1.034 788 V CA -2.063 60.294 62.300 0.095 0.000 0.893 788 V CB 1.265 33.156 31.823 0.113 0.000 0.982 788 V HN 0.122 nan 8.190 nan 0.000 0.452 789 P HA -0.034 nan 4.420 nan 0.000 0.263 789 P C 1.074 178.193 177.300 -0.303 0.000 1.175 789 P CA 0.217 62.875 63.100 -0.736 0.000 0.761 789 P CB 0.420 31.213 31.700 -1.512 0.000 0.794 790 V N 1.464 121.282 119.914 -0.161 0.000 2.469 790 V HA -0.248 3.873 4.120 0.002 0.000 0.251 790 V C 1.689 177.818 176.094 0.058 0.000 1.064 790 V CA 2.138 64.454 62.300 0.026 0.000 1.066 790 V CB -1.414 30.443 31.823 0.057 0.000 0.667 790 V HN 0.583 nan 8.190 nan 0.000 0.461 791 N N -1.883 116.832 118.700 0.024 0.000 2.467 791 N HA -0.090 4.651 4.740 0.002 0.000 0.184 791 N C 0.179 175.894 175.510 0.342 0.000 1.106 791 N CA 0.113 53.254 53.050 0.151 0.000 0.892 791 N CB -0.299 38.267 38.487 0.131 0.000 0.969 791 N HN 0.610 nan 8.380 nan 0.000 0.454 792 W N 2.040 123.355 121.300 0.025 0.000 2.419 792 W HA 0.312 4.973 4.660 0.002 0.000 0.312 792 W C 0.354 176.901 176.519 0.048 0.000 1.323 792 W CA -1.535 55.831 57.345 0.035 0.000 1.293 792 W CB -0.181 29.302 29.460 0.039 0.000 1.324 792 W HN -0.317 nan 8.180 nan 0.000 0.512 793 V N 7.971 128.016 119.914 0.219 0.000 2.585 793 V HA 0.088 4.209 4.120 0.002 0.000 0.296 793 V C -1.729 174.449 176.094 0.140 0.000 1.035 793 V CA -1.605 60.781 62.300 0.143 0.000 1.084 793 V CB 0.452 32.331 31.823 0.092 0.000 0.953 793 V HN 0.258 nan 8.190 nan 0.000 0.483 794 P HA 0.227 nan 4.420 nan 0.000 0.267 794 P C -0.591 176.751 177.300 0.069 0.000 1.205 794 P CA 0.246 63.413 63.100 0.111 0.000 0.765 794 P CB 0.448 32.218 31.700 0.117 0.000 0.828 795 T N -0.222 114.367 114.554 0.058 0.000 2.887 795 T HA 0.830 5.181 4.350 0.002 0.000 0.292 795 T C 0.031 174.723 174.700 -0.014 0.000 1.087 795 T CA -0.281 61.834 62.100 0.025 0.000 1.009 795 T CB 1.671 70.588 68.868 0.081 0.000 1.203 795 T HN 0.705 nan 8.240 nan 0.000 0.518 796 G N 0.361 109.109 108.800 -0.085 0.000 2.661 796 G HA2 0.029 3.990 3.960 0.002 0.000 0.685 796 G HA3 0.029 3.990 3.960 0.002 0.000 0.685 796 G C -0.927 173.857 174.900 -0.194 0.000 1.298 796 G CA -0.859 44.185 45.100 -0.093 0.000 0.855 796 G HN 0.859 nan 8.290 nan 0.000 0.560 797 R N -0.017 120.373 120.500 -0.183 0.000 2.265 797 R HA 0.632 4.973 4.340 0.002 0.000 0.319 797 R C 1.419 177.539 176.300 -0.300 0.000 1.006 797 R CA 0.329 56.220 56.100 -0.347 0.000 0.880 797 R CB 0.674 30.655 30.300 -0.530 0.000 1.077 797 R HN 0.924 nan 8.270 nan 0.000 0.454 798 T N -1.859 112.466 114.554 -0.382 0.000 3.010 798 T HA 0.033 4.384 4.350 0.002 0.000 0.253 798 T C 0.716 175.352 174.700 -0.107 0.000 0.939 798 T CA -0.093 61.761 62.100 -0.411 0.000 0.910 798 T CB 0.350 68.849 68.868 -0.614 0.000 1.226 798 T HN 0.354 nan 8.240 nan 0.000 0.508 799 T N 2.518 116.991 114.554 -0.134 0.000 2.751 799 T HA 0.284 4.635 4.350 0.002 0.000 0.290 799 T C -1.439 173.040 174.700 -0.368 0.000 0.919 799 T CA -0.120 61.943 62.100 -0.062 0.000 1.136 799 T CB -0.359 68.483 68.868 -0.043 0.000 0.875 799 T HN 0.420 nan 8.240 nan 0.000 0.532 800 W N 3.747 125.065 121.300 0.030 0.000 2.347 800 W HA 0.385 5.046 4.660 0.002 0.000 0.321 800 W C 1.147 177.647 176.519 -0.033 0.000 0.971 800 W CA -0.631 56.718 57.345 0.007 0.000 1.508 800 W CB 0.237 29.728 29.460 0.051 0.000 1.299 800 W HN 0.821 nan 8.180 nan 0.000 0.399 801 S N 0.591 116.298 115.700 0.012 0.000 2.769 801 S HA -0.275 4.196 4.470 0.002 0.000 0.264 801 S C 0.130 174.621 174.600 -0.181 0.000 1.288 801 S CA 0.710 58.860 58.200 -0.084 0.000 1.378 801 S CB -1.557 61.704 63.200 0.102 0.000 1.702 801 S HN 0.578 nan 8.310 nan 0.000 0.656 802 I N 3.123 123.624 120.570 -0.116 0.000 2.428 802 I HA 0.159 4.330 4.170 0.002 0.000 0.289 802 I C 1.273 177.255 176.117 -0.226 0.000 1.019 802 I CA -0.252 60.984 61.300 -0.107 0.000 1.351 802 I CB 0.608 38.616 38.000 0.013 0.000 1.412 802 I HN 0.214 nan 8.210 nan 0.000 0.513 803 H N 6.157 125.126 119.070 -0.167 0.000 2.539 803 H HA 0.329 4.886 4.556 0.002 0.000 0.269 803 H C -0.028 175.207 175.328 -0.155 0.000 0.980 803 H CA 0.046 55.960 56.048 -0.224 0.000 1.152 803 H CB 0.538 30.031 29.762 -0.449 0.000 1.407 803 H HN 0.596 nan 8.280 nan 0.000 0.564 804 A N -0.112 122.701 122.820 -0.011 0.000 2.435 804 A HA 0.692 5.013 4.320 0.002 0.000 0.304 804 A C 0.369 177.941 177.584 -0.019 0.000 1.064 804 A CA -0.042 51.985 52.037 -0.017 0.000 0.727 804 A CB 1.947 20.955 19.000 0.014 0.000 1.284 804 A HN 0.384 nan 8.150 nan 0.000 0.415 805 G N -0.517 108.219 108.800 -0.107 0.000 2.278 805 G HA2 0.537 4.498 3.960 0.002 0.000 0.265 805 G HA3 0.537 4.498 3.960 0.002 0.000 0.265 805 G C 0.758 175.306 174.900 -0.587 0.000 1.329 805 G CA 0.929 45.896 45.100 -0.221 0.000 1.017 805 G HN 2.577 nan 8.290 nan 0.000 0.472 806 G N -1.131 106.813 108.800 -1.428 0.000 2.176 806 G HA2 -0.141 3.820 3.960 0.002 0.000 0.232 806 G HA3 -0.141 3.820 3.960 0.002 0.000 0.232 806 G C 0.802 175.022 174.900 -1.133 0.000 0.986 806 G CA 1.208 45.433 45.100 -1.459 0.000 0.643 806 G HN 1.161 nan 8.290 nan 0.000 0.522 807 E N -0.347 119.367 120.200 -0.810 0.000 2.267 807 E HA -0.090 4.261 4.350 0.002 0.000 0.197 807 E C 1.962 178.482 176.600 -0.133 0.000 0.998 807 E CA 1.864 58.078 56.400 -0.309 0.000 0.830 807 E CB -0.348 29.293 29.700 -0.098 0.000 0.751 807 E HN 0.974 nan 8.360 nan 0.000 0.491 808 W N -0.849 120.459 121.300 0.013 0.000 2.937 808 W HA 0.121 4.782 4.660 0.002 0.000 0.245 808 W C 0.319 176.838 176.519 -0.000 0.000 1.306 808 W CA 0.006 57.369 57.345 0.029 0.000 1.470 808 W CB -0.150 29.327 29.460 0.028 0.000 1.132 808 W HN -0.156 nan 8.180 nan 0.000 0.675 809 M N 3.481 122.963 119.600 -0.196 0.000 3.690 809 M HA 0.262 4.743 4.480 0.002 0.000 0.209 809 M C -0.421 175.858 176.300 -0.036 0.000 1.403 809 M CA 0.424 55.655 55.300 -0.115 0.000 1.621 809 M CB -1.645 30.794 32.600 -0.269 0.000 1.056 809 M HN 0.027 nan 8.290 nan 0.000 0.593 810 T N -3.526 111.053 114.554 0.041 0.000 2.864 810 T HA 0.364 4.715 4.350 0.002 0.000 0.299 810 T C 0.568 175.321 174.700 0.089 0.000 1.166 810 T CA -0.606 61.527 62.100 0.056 0.000 1.007 810 T CB 2.249 71.153 68.868 0.061 0.000 1.219 810 T HN 0.157 nan 8.240 nan 0.000 0.506 811 T N -0.166 114.441 114.554 0.087 0.000 3.040 811 T HA 0.218 4.569 4.350 0.002 0.000 0.250 811 T C 0.477 175.237 174.700 0.101 0.000 1.058 811 T CA -0.019 62.142 62.100 0.102 0.000 0.988 811 T CB -0.181 68.748 68.868 0.101 0.000 0.993 811 T HN 0.642 nan 8.240 nan 0.000 0.519 812 E N 1.945 122.200 120.200 0.092 0.000 2.398 812 E HA 0.015 4.366 4.350 0.002 0.000 0.263 812 E C -0.456 176.214 176.600 0.118 0.000 1.046 812 E CA -0.287 56.170 56.400 0.095 0.000 0.908 812 E CB 0.494 30.243 29.700 0.081 0.000 0.963 812 E HN 0.197 nan 8.360 nan 0.000 0.431 813 D N 3.337 123.811 120.400 0.124 0.000 2.487 813 D HA -0.114 4.527 4.640 0.002 0.000 0.243 813 D C 1.036 177.449 176.300 0.189 0.000 1.154 813 D CA 0.147 54.238 54.000 0.152 0.000 0.876 813 D CB 0.601 41.492 40.800 0.151 0.000 1.161 813 D HN 0.409 nan 8.370 nan 0.000 0.478 814 M N 3.529 123.279 119.600 0.251 0.000 2.394 814 M HA -0.070 4.411 4.480 0.002 0.000 0.264 814 M C 1.690 178.259 176.300 0.449 0.000 1.073 814 M CA 0.755 56.283 55.300 0.379 0.000 1.111 814 M CB -0.533 32.310 32.600 0.405 0.000 1.401 814 M HN 0.653 nan 8.290 nan 0.000 0.448 815 L N -0.446 120.950 121.223 0.289 0.000 2.217 815 L HA -0.182 4.159 4.340 0.002 0.000 0.211 815 L C 2.045 178.913 176.870 -0.004 0.000 1.107 815 L CA 1.237 55.965 54.840 -0.188 0.000 0.783 815 L CB -0.092 41.709 42.059 -0.429 0.000 0.919 815 L HN 0.191 nan 8.230 nan 0.000 0.442 816 E N -0.552 119.699 120.200 0.085 0.000 2.047 816 E HA -0.199 4.152 4.350 0.002 0.000 0.191 816 E C 2.043 178.714 176.600 0.118 0.000 0.987 816 E CA 1.478 57.929 56.400 0.085 0.000 0.799 816 E CB -0.229 29.520 29.700 0.082 0.000 0.752 816 E HN 0.353 nan 8.360 nan 0.000 0.449 817 V N -0.683 119.326 119.914 0.158 0.000 2.358 817 V HA -0.174 3.947 4.120 0.002 0.000 0.246 817 V C 1.917 178.132 176.094 0.201 0.000 1.047 817 V CA 1.970 64.363 62.300 0.156 0.000 1.035 817 V CB -0.638 31.277 31.823 0.154 0.000 0.658 817 V HN 0.570 nan 8.190 nan 0.000 0.452 818 W N 1.518 122.885 121.300 0.113 0.000 2.304 818 W HA -0.264 4.396 4.660 0.001 0.000 0.315 818 W C 2.490 179.075 176.519 0.110 0.000 1.233 818 W CA 2.527 59.959 57.345 0.146 0.000 1.261 818 W CB -0.291 29.085 29.460 -0.140 0.000 1.150 818 W HN 0.303 nan 8.180 nan 0.000 0.494 819 N N 0.081 119.009 118.700 0.380 0.000 2.084 819 N HA -0.225 4.516 4.740 0.002 0.000 0.190 819 N C 1.850 177.396 175.510 0.059 0.000 1.030 819 N CA 1.905 55.106 53.050 0.251 0.000 0.849 819 N CB -0.709 37.879 38.487 0.168 0.000 1.012 819 N HN 0.285 nan 8.380 nan 0.000 0.423 820 R N 0.946 121.465 120.500 0.032 0.000 2.096 820 R HA -0.089 4.252 4.340 0.002 0.000 0.235 820 R C 2.155 178.393 176.300 -0.103 0.000 1.127 820 R CA 1.379 57.464 56.100 -0.025 0.000 0.968 820 R CB -0.095 30.198 30.300 -0.012 0.000 0.861 820 R HN 0.199 nan 8.270 nan 0.000 0.440 821 V N -2.110 117.697 119.914 -0.178 0.000 2.725 821 V HA 0.010 4.131 4.120 0.002 0.000 0.247 821 V C 1.085 176.874 176.094 -0.508 0.000 1.058 821 V CA 0.816 62.903 62.300 -0.354 0.000 1.080 821 V CB -0.470 31.099 31.823 -0.423 0.000 0.713 821 V HN 0.396 nan 8.190 nan 0.000 0.465 822 W N -0.487 120.535 121.300 -0.464 0.000 3.077 822 W HA 0.471 5.132 4.660 0.002 0.000 0.266 822 W C 1.793 178.131 176.519 -0.303 0.000 1.300 822 W CA 0.382 57.396 57.345 -0.550 0.000 1.586 822 W CB 0.315 28.950 29.460 -1.376 0.000 1.103 822 W HN 0.213 nan 8.180 nan 0.000 0.652 823 I N -2.111 118.437 120.570 -0.036 0.000 3.664 823 I HA -0.034 4.137 4.170 0.002 0.000 0.251 823 I C 2.179 178.290 176.117 -0.010 0.000 1.134 823 I CA 0.020 61.337 61.300 0.028 0.000 1.520 823 I CB -0.295 37.758 38.000 0.090 0.000 1.638 823 I HN -0.285 nan 8.210 nan 0.000 0.431 824 E N 1.839 122.027 120.200 -0.019 0.000 2.033 824 E HA -0.276 4.075 4.350 0.002 0.000 0.199 824 E C 1.423 177.983 176.600 -0.067 0.000 1.011 824 E CA 1.930 58.310 56.400 -0.033 0.000 0.815 824 E CB 0.083 29.768 29.700 -0.025 0.000 0.755 824 E HN 0.371 nan 8.360 nan 0.000 0.451 825 E N 0.263 120.408 120.200 -0.092 0.000 2.465 825 E HA 0.011 4.362 4.350 0.002 0.000 0.191 825 E C -0.279 176.235 176.600 -0.143 0.000 1.053 825 E CA -0.343 55.986 56.400 -0.119 0.000 0.869 825 E CB 0.211 29.840 29.700 -0.119 0.000 0.977 825 E HN 0.053 nan 8.360 nan 0.000 0.483 826 N N 2.152 120.777 118.700 -0.125 0.000 2.439 826 N HA -0.054 4.687 4.740 0.002 0.000 0.243 826 N C 0.654 176.064 175.510 -0.167 0.000 1.088 826 N CA 0.060 53.043 53.050 -0.111 0.000 0.940 826 N CB 0.671 39.140 38.487 -0.030 0.000 1.180 826 N HN 0.097 nan 8.380 nan 0.000 0.505 827 E N 2.701 122.703 120.200 -0.329 0.000 2.511 827 E HA -0.108 4.243 4.350 0.002 0.000 0.196 827 E C 0.234 176.454 176.600 -0.634 0.000 1.066 827 E CA 0.553 56.639 56.400 -0.523 0.000 0.871 827 E CB -0.090 29.192 29.700 -0.695 0.000 0.863 827 E HN 0.636 nan 8.360 nan 0.000 0.520 828 W N 0.554 121.643 121.300 -0.352 0.000 3.123 828 W HA 0.359 5.020 4.660 0.002 0.000 0.383 828 W C 0.158 176.574 176.519 -0.172 0.000 1.102 828 W CA -0.883 56.255 57.345 -0.344 0.000 1.865 828 W CB 0.125 29.123 29.460 -0.770 0.000 1.111 828 W HN 0.023 nan 8.180 nan 0.000 0.621 829 M N 2.623 122.239 119.600 0.027 0.000 2.055 829 M HA 0.091 4.572 4.480 0.002 0.000 0.346 829 M C 1.400 177.715 176.300 0.026 0.000 1.074 829 M CA 0.041 55.384 55.300 0.072 0.000 1.009 829 M CB 0.535 33.185 32.600 0.083 0.000 1.423 829 M HN -0.122 nan 8.290 nan 0.000 0.410 830 E N 1.700 121.927 120.200 0.044 0.000 2.031 830 E HA -0.118 4.233 4.350 0.002 0.000 0.193 830 E C -0.060 176.554 176.600 0.023 0.000 0.994 830 E CA 1.231 57.644 56.400 0.022 0.000 0.800 830 E CB -0.822 28.899 29.700 0.035 0.000 0.752 830 E HN 0.621 nan 8.360 nan 0.000 0.447 831 D N 1.038 121.465 120.400 0.044 0.000 2.338 831 D HA 0.048 4.689 4.640 0.002 0.000 0.255 831 D C 0.092 176.419 176.300 0.044 0.000 1.237 831 D CA -0.152 53.874 54.000 0.043 0.000 0.883 831 D CB 0.729 41.562 40.800 0.054 0.000 1.087 831 D HN -0.171 nan 8.370 nan 0.000 0.485 832 K N 2.082 122.499 120.400 0.028 0.000 2.458 832 K HA 0.053 4.374 4.320 0.002 0.000 0.194 832 K C 0.365 176.986 176.600 0.035 0.000 1.024 832 K CA -0.004 56.298 56.287 0.026 0.000 1.108 832 K CB -0.564 31.939 32.500 0.006 0.000 0.846 832 K HN 0.531 nan 8.250 nan 0.000 0.518 833 T N 1.186 115.764 114.554 0.040 0.000 2.817 833 T HA 0.213 4.564 4.350 0.002 0.000 0.295 833 T C -2.474 172.258 174.700 0.053 0.000 0.958 833 T CA -1.513 60.610 62.100 0.038 0.000 1.157 833 T CB 0.513 69.401 68.868 0.032 0.000 0.898 833 T HN -0.114 nan 8.240 nan 0.000 0.536 834 P HA 0.306 nan 4.420 nan 0.000 0.272 834 P C -0.496 176.824 177.300 0.034 0.000 1.230 834 P CA -0.694 62.439 63.100 0.055 0.000 0.788 834 P CB 0.466 32.185 31.700 0.032 0.000 0.949 835 V N 2.176 122.107 119.914 0.029 0.000 2.567 835 V HA 0.125 4.246 4.120 0.002 0.000 0.289 835 V C 1.200 177.216 176.094 -0.129 0.000 1.049 835 V CA 0.245 62.500 62.300 -0.074 0.000 0.969 835 V CB 0.978 32.690 31.823 -0.185 0.000 0.995 835 V HN 0.577 nan 8.190 nan 0.000 0.471 836 E N 1.659 121.782 120.200 -0.129 0.000 2.447 836 E HA 0.171 4.522 4.350 0.002 0.000 0.204 836 E C 0.200 176.715 176.600 -0.141 0.000 0.977 836 E CA 0.069 56.405 56.400 -0.107 0.000 0.950 836 E CB 0.676 30.345 29.700 -0.053 0.000 0.975 836 E HN 0.476 nan 8.360 nan 0.000 0.496 837 K N -1.312 118.976 120.400 -0.188 0.000 2.477 837 K HA 0.214 4.535 4.320 0.002 0.000 0.255 837 K C -0.914 175.518 176.600 -0.280 0.000 0.952 837 K CA -0.592 55.597 56.287 -0.162 0.000 0.826 837 K CB 0.501 32.972 32.500 -0.049 0.000 1.331 837 K HN -0.134 nan 8.250 nan 0.000 0.437 838 W N 1.141 122.334 121.300 -0.179 0.000 2.392 838 W HA -0.187 4.474 4.660 0.001 0.000 0.279 838 W C 1.922 178.304 176.519 -0.227 0.000 1.225 838 W CA 1.529 58.722 57.345 -0.253 0.000 1.233 838 W CB 0.037 29.399 29.460 -0.163 0.000 1.122 838 W HN 0.748 nan 8.180 nan 0.000 0.561 839 S N -0.831 114.909 115.700 0.066 0.000 2.419 839 S HA -0.178 4.293 4.470 0.002 0.000 0.233 839 S C 1.136 175.716 174.600 -0.034 0.000 1.016 839 S CA 1.526 59.748 58.200 0.037 0.000 0.974 839 S CB -0.385 62.847 63.200 0.053 0.000 0.786 839 S HN 0.169 nan 8.310 nan 0.000 0.492 840 D N 1.062 121.395 120.400 -0.112 0.000 2.340 840 D HA 0.197 4.838 4.640 0.002 0.000 0.220 840 D C -0.178 175.977 176.300 -0.243 0.000 1.039 840 D CA 0.128 54.044 54.000 -0.140 0.000 0.866 840 D CB 0.298 41.018 40.800 -0.134 0.000 0.913 840 D HN 0.283 nan 8.370 nan 0.000 0.523 841 V N 4.316 124.001 119.914 -0.380 0.000 2.368 841 V HA 0.177 4.298 4.120 0.002 0.000 0.266 841 V C -1.914 174.039 176.094 -0.234 0.000 1.045 841 V CA -1.466 60.505 62.300 -0.548 0.000 0.899 841 V CB 1.113 32.327 31.823 -1.015 0.000 1.006 841 V HN -0.029 nan 8.190 nan 0.000 0.470 842 P HA 0.148 nan 4.420 nan 0.000 0.269 842 P C -1.015 176.324 177.300 0.066 0.000 1.215 842 P CA -0.002 63.134 63.100 0.060 0.000 0.780 842 P CB 0.611 32.398 31.700 0.145 0.000 0.898 843 Y N -0.421 119.992 120.300 0.187 0.000 2.432 843 Y HA 0.209 4.760 4.550 0.002 0.000 0.322 843 Y C 1.729 177.713 175.900 0.139 0.000 1.246 843 Y CA -0.412 57.792 58.100 0.174 0.000 1.268 843 Y CB 1.034 39.564 38.460 0.117 0.000 1.276 843 Y HN 0.300 nan 8.280 nan 0.000 0.499 844 S N 0.446 116.353 115.700 0.345 0.000 2.553 844 S HA 0.071 4.542 4.470 0.002 0.000 0.271 844 S C 0.464 175.164 174.600 0.168 0.000 1.362 844 S CA 0.015 58.344 58.200 0.215 0.000 1.010 844 S CB 0.032 63.371 63.200 0.232 0.000 0.865 844 S HN 0.889 nan 8.310 nan 0.000 0.543 845 G N 0.570 109.436 108.800 0.111 0.000 2.554 845 G HA2 0.081 4.042 3.960 0.002 0.000 0.238 845 G HA3 0.081 4.042 3.960 0.002 0.000 0.238 845 G C 0.708 175.635 174.900 0.045 0.000 1.259 845 G CA -0.316 44.828 45.100 0.072 0.000 0.843 845 G HN 0.769 nan 8.290 nan 0.000 0.582 846 K N 0.733 121.132 120.400 -0.001 0.000 2.025 846 K HA -0.154 4.167 4.320 0.002 0.000 0.207 846 K C 2.655 179.208 176.600 -0.078 0.000 1.049 846 K CA 1.445 57.705 56.287 -0.045 0.000 0.933 846 K CB -0.005 32.456 32.500 -0.065 0.000 0.714 846 K HN 0.507 nan 8.250 nan 0.000 0.438 847 R N 0.877 121.306 120.500 -0.118 0.000 2.115 847 R HA -0.027 4.314 4.340 0.002 0.000 0.226 847 R C 1.757 177.937 176.300 -0.201 0.000 1.100 847 R CA 1.399 57.343 56.100 -0.261 0.000 0.980 847 R CB -0.763 29.314 30.300 -0.372 0.000 0.875 847 R HN 0.282 nan 8.270 nan 0.000 0.445 848 E N 1.282 121.508 120.200 0.044 0.000 2.038 848 E HA -0.199 4.152 4.350 0.002 0.000 0.195 848 E C 1.602 178.310 176.600 0.180 0.000 1.000 848 E CA 1.534 58.079 56.400 0.241 0.000 0.803 848 E CB -0.343 29.478 29.700 0.201 0.000 0.750 848 E HN 0.288 nan 8.360 nan 0.000 0.448 849 D N 0.478 120.936 120.400 0.097 0.000 2.133 849 D HA -0.192 4.449 4.640 0.002 0.000 0.192 849 D C 1.866 178.191 176.300 0.042 0.000 1.001 849 D CA 1.105 55.146 54.000 0.069 0.000 0.844 849 D CB -0.114 40.701 40.800 0.025 0.000 0.944 849 D HN 0.151 nan 8.370 nan 0.000 0.447 850 I N -0.453 120.108 120.570 -0.016 0.000 2.202 850 I HA -0.249 3.922 4.170 0.002 0.000 0.242 850 I C 2.386 178.518 176.117 0.024 0.000 1.091 850 I CA 0.570 61.836 61.300 -0.057 0.000 1.368 850 I CB -0.253 37.645 38.000 -0.170 0.000 1.058 850 I HN 0.154 nan 8.210 nan 0.000 0.410 851 W N 0.479 121.765 121.300 -0.024 0.000 2.342 851 W HA -0.195 4.466 4.660 0.002 0.000 0.297 851 W C 2.158 178.665 176.519 -0.020 0.000 1.213 851 W CA 0.848 58.177 57.345 -0.027 0.000 1.251 851 W CB -0.846 28.595 29.460 -0.032 0.000 1.136 851 W HN 0.177 nan 8.180 nan 0.000 0.526 852 C N 0.265 119.701 119.300 0.227 0.000 2.480 852 C HA 0.449 4.910 4.460 0.002 0.000 0.317 852 C C 1.514 176.540 174.990 0.061 0.000 1.300 852 C CA 0.926 60.024 59.018 0.134 0.000 1.706 852 C CB -1.125 26.708 27.740 0.155 0.000 1.840 852 C HN 0.561 nan 8.230 nan 0.000 0.596 853 G N 0.785 109.618 108.800 0.056 0.000 2.138 853 G HA2 -0.196 3.765 3.960 0.002 0.000 0.193 853 G HA3 -0.196 3.765 3.960 0.002 0.000 0.193 853 G C 0.212 175.120 174.900 0.014 0.000 0.998 853 G CA 0.345 45.459 45.100 0.023 0.000 0.668 853 G HN 0.541 nan 8.290 nan 0.000 0.516 854 S N -0.487 115.217 115.700 0.006 0.000 2.549 854 S HA 0.437 4.908 4.470 0.002 0.000 0.283 854 S C 1.390 175.961 174.600 -0.049 0.000 1.320 854 S CA -0.296 57.905 58.200 0.003 0.000 1.058 854 S CB 0.576 63.772 63.200 -0.008 0.000 0.882 854 S HN 0.409 nan 8.310 nan 0.000 0.498 855 L N 5.335 126.516 121.223 -0.070 0.000 2.592 855 L HA 0.409 4.750 4.340 0.002 0.000 0.227 855 L C 0.840 177.627 176.870 -0.139 0.000 1.127 855 L CA 0.349 55.062 54.840 -0.212 0.000 0.884 855 L CB -0.654 41.091 42.059 -0.523 0.000 1.065 855 L HN 0.682 nan 8.230 nan 0.000 0.457 856 I N 0.009 120.542 120.570 -0.061 0.000 2.683 856 I HA 0.124 4.295 4.170 0.002 0.000 0.286 856 I C 1.411 177.486 176.117 -0.069 0.000 1.175 856 I CA 1.284 62.561 61.300 -0.039 0.000 1.429 856 I CB 0.388 38.366 38.000 -0.036 0.000 1.371 856 I HN 0.529 nan 8.210 nan 0.000 0.569 857 G N 3.819 112.585 108.800 -0.057 0.000 2.194 857 G HA2 -0.236 3.725 3.960 0.002 0.000 0.236 857 G HA3 -0.236 3.725 3.960 0.002 0.000 0.236 857 G C 0.433 175.288 174.900 -0.075 0.000 0.987 857 G CA 0.270 45.330 45.100 -0.067 0.000 0.635 857 G HN 0.697 nan 8.290 nan 0.000 0.520 858 T N -0.219 114.279 114.554 -0.093 0.000 2.902 858 T HA 0.549 4.900 4.350 0.002 0.000 0.280 858 T C 1.840 176.490 174.700 -0.083 0.000 0.992 858 T CA 0.381 62.416 62.100 -0.108 0.000 1.015 858 T CB 1.007 69.776 68.868 -0.164 0.000 1.044 858 T HN 0.535 nan 8.240 nan 0.000 0.520 859 R N 1.996 122.448 120.500 -0.079 0.000 2.119 859 R HA 0.172 4.513 4.340 0.002 0.000 0.222 859 R C 2.216 178.484 176.300 -0.054 0.000 1.088 859 R CA 1.211 57.280 56.100 -0.052 0.000 0.984 859 R CB -0.765 29.511 30.300 -0.039 0.000 0.884 859 R HN 0.544 nan 8.270 nan 0.000 0.447 860 A N 2.585 125.340 122.820 -0.109 0.000 1.892 860 A HA -0.281 4.040 4.320 0.002 0.000 0.218 860 A C 2.274 179.788 177.584 -0.117 0.000 1.188 860 A CA 2.135 54.091 52.037 -0.136 0.000 0.631 860 A CB -0.531 18.330 19.000 -0.231 0.000 0.822 860 A HN 0.553 nan 8.150 nan 0.000 0.447 861 R N 0.000 120.391 120.500 -0.183 0.000 2.193 861 R HA 0.294 4.635 4.340 0.002 0.000 0.213 861 R C 1.889 178.377 176.300 0.315 0.000 1.055 861 R CA 1.653 57.718 56.100 -0.057 0.000 0.995 861 R CB -0.981 29.141 30.300 -0.296 0.000 0.893 861 R HN 0.311 nan 8.270 nan 0.000 0.459 862 A N 0.545 123.438 122.820 0.122 0.000 1.865 862 A HA -0.161 4.160 4.320 0.002 0.000 0.217 862 A C 2.221 179.886 177.584 0.136 0.000 1.191 862 A CA 2.187 54.289 52.037 0.109 0.000 0.623 862 A CB -1.378 17.643 19.000 0.035 0.000 0.826 862 A HN 0.482 nan 8.150 nan 0.000 0.444 863 T N -0.362 114.262 114.554 0.116 0.000 2.881 863 T HA -0.164 4.187 4.350 0.002 0.000 0.270 863 T C 1.604 176.413 174.700 0.182 0.000 1.068 863 T CA 1.387 63.550 62.100 0.105 0.000 1.131 863 T CB -0.358 68.548 68.868 0.064 0.000 0.871 863 T HN 0.880 nan 8.240 nan 0.000 0.479 864 W N 2.331 123.631 121.300 -0.000 0.000 2.441 864 W HA 0.270 4.931 4.660 0.002 0.000 0.302 864 W C 2.124 178.663 176.519 0.034 0.000 1.191 864 W CA 0.589 57.953 57.345 0.032 0.000 1.327 864 W CB -1.329 28.178 29.460 0.078 0.000 1.128 864 W HN 0.253 nan 8.180 nan 0.000 0.522 865 A N 1.216 123.901 122.820 -0.224 0.000 1.908 865 A HA -0.267 4.054 4.320 0.002 0.000 0.218 865 A C 2.162 179.611 177.584 -0.225 0.000 1.181 865 A CA 2.164 53.930 52.037 -0.451 0.000 0.627 865 A CB -1.043 17.886 19.000 -0.118 0.000 0.818 865 A HN 0.530 nan 8.150 nan 0.000 0.445 866 E N -0.544 119.606 120.200 -0.084 0.000 2.230 866 E HA -0.085 4.266 4.350 0.002 0.000 0.192 866 E C 0.509 177.074 176.600 -0.060 0.000 0.987 866 E CA 0.632 56.997 56.400 -0.059 0.000 0.841 866 E CB 0.006 29.694 29.700 -0.020 0.000 0.783 866 E HN 0.533 nan 8.360 nan 0.000 0.481 867 N N 0.869 119.542 118.700 -0.045 0.000 2.276 867 N HA 0.000 4.741 4.740 0.002 0.000 0.212 867 N C 1.206 176.680 175.510 -0.059 0.000 1.127 867 N CA 0.006 53.037 53.050 -0.031 0.000 0.834 867 N CB 0.406 38.899 38.487 0.011 0.000 1.014 867 N HN 0.195 nan 8.380 nan 0.000 0.491 868 I N 1.257 121.746 120.570 -0.135 0.000 2.335 868 I HA -0.268 3.903 4.170 0.002 0.000 0.251 868 I C 2.288 178.333 176.117 -0.120 0.000 1.129 868 I CA 1.488 62.675 61.300 -0.187 0.000 1.402 868 I CB 0.094 37.884 38.000 -0.350 0.000 1.069 868 I HN 0.005 nan 8.210 nan 0.000 0.424 869 Q N -0.135 119.604 119.800 -0.100 0.000 2.167 869 Q HA -0.108 4.233 4.340 0.002 0.000 0.202 869 Q C 2.161 178.119 176.000 -0.070 0.000 0.970 869 Q CA 1.815 57.567 55.803 -0.086 0.000 0.855 869 Q CB -0.350 28.342 28.738 -0.076 0.000 0.911 869 Q HN 0.439 nan 8.270 nan 0.000 0.438 870 V N 0.534 120.417 119.914 -0.052 0.000 2.287 870 V HA -0.302 3.819 4.120 0.002 0.000 0.248 870 V C 2.252 178.328 176.094 -0.030 0.000 1.053 870 V CA 1.901 64.180 62.300 -0.035 0.000 1.027 870 V CB -1.353 30.459 31.823 -0.017 0.000 0.646 870 V HN 0.489 nan 8.190 nan 0.000 0.447 871 A N -0.102 122.706 122.820 -0.019 0.000 1.898 871 A HA -0.156 4.165 4.320 0.002 0.000 0.216 871 A C 2.184 179.750 177.584 -0.029 0.000 1.181 871 A CA 1.900 53.938 52.037 0.001 0.000 0.620 871 A CB -0.555 18.472 19.000 0.045 0.000 0.819 871 A HN 0.497 nan 8.150 nan 0.000 0.442 872 I N 0.259 120.793 120.570 -0.061 0.000 2.127 872 I HA -0.312 3.859 4.170 0.002 0.000 0.241 872 I C 2.204 178.236 176.117 -0.142 0.000 1.075 872 I CA 1.456 62.698 61.300 -0.097 0.000 1.334 872 I CB -0.527 37.407 38.000 -0.110 0.000 1.040 872 I HN 0.288 nan 8.210 nan 0.000 0.405 873 N N 0.532 119.155 118.700 -0.128 0.000 2.104 873 N HA -0.270 4.471 4.740 0.002 0.000 0.190 873 N C 1.777 177.219 175.510 -0.114 0.000 1.024 873 N CA 1.280 54.246 53.050 -0.139 0.000 0.853 873 N CB -0.508 37.921 38.487 -0.097 0.000 1.008 873 N HN 0.459 nan 8.380 nan 0.000 0.424 874 Q N 0.572 120.330 119.800 -0.070 0.000 2.112 874 Q HA -0.121 4.220 4.340 0.002 0.000 0.206 874 Q C 1.631 177.603 176.000 -0.046 0.000 0.987 874 Q CA 1.407 57.185 55.803 -0.042 0.000 0.858 874 Q CB 0.142 28.872 28.738 -0.015 0.000 0.905 874 Q HN 0.168 nan 8.270 nan 0.000 0.420 875 V N 0.466 120.342 119.914 -0.062 0.000 2.591 875 V HA -0.171 3.950 4.120 0.002 0.000 0.249 875 V C 2.225 178.258 176.094 -0.101 0.000 1.053 875 V CA 1.589 63.859 62.300 -0.051 0.000 1.068 875 V CB -0.494 31.313 31.823 -0.027 0.000 0.689 875 V HN 0.312 nan 8.190 nan 0.000 0.462 876 R N 0.106 120.461 120.500 -0.242 0.000 2.081 876 R HA -0.133 4.208 4.340 0.002 0.000 0.235 876 R C 2.646 178.865 176.300 -0.136 0.000 1.131 876 R CA 1.697 57.543 56.100 -0.424 0.000 0.960 876 R CB -0.540 29.320 30.300 -0.733 0.000 0.856 876 R HN 0.427 nan 8.270 nan 0.000 0.436 877 S N 0.999 116.645 115.700 -0.089 0.000 2.359 877 S HA -0.157 4.314 4.470 0.002 0.000 0.223 877 S C 1.986 176.597 174.600 0.018 0.000 1.039 877 S CA 1.434 59.622 58.200 -0.020 0.000 1.042 877 S CB -0.224 62.964 63.200 -0.020 0.000 0.915 877 S HN 0.212 nan 8.310 nan 0.000 0.439 878 I N 1.064 121.646 120.570 0.019 0.000 2.202 878 I HA -0.156 4.015 4.170 0.002 0.000 0.242 878 I C 2.315 178.479 176.117 0.079 0.000 1.091 878 I CA 1.089 62.416 61.300 0.045 0.000 1.368 878 I CB -0.424 37.602 38.000 0.043 0.000 1.058 878 I HN 0.319 nan 8.210 nan 0.000 0.410 879 I N 0.037 120.664 120.570 0.095 0.000 2.439 879 I HA 0.173 4.344 4.170 0.002 0.000 0.251 879 I C 1.127 177.337 176.117 0.155 0.000 1.139 879 I CA 1.257 62.647 61.300 0.151 0.000 1.438 879 I CB -0.424 37.672 38.000 0.160 0.000 1.085 879 I HN 0.320 nan 8.210 nan 0.000 0.427 880 G N 0.489 109.374 108.800 0.141 0.000 2.384 880 G HA2 -0.216 3.745 3.960 0.002 0.000 0.200 880 G HA3 -0.216 3.745 3.960 0.002 0.000 0.200 880 G C -1.180 173.812 174.900 0.152 0.000 1.205 880 G CA -0.044 45.131 45.100 0.125 0.000 1.116 880 G HN 0.518 nan 8.290 nan 0.000 0.547 881 D N 1.921 122.378 120.400 0.095 0.000 2.441 881 D HA 0.540 5.181 4.640 0.002 0.000 0.221 881 D C 0.131 176.423 176.300 -0.014 0.000 1.156 881 D CA 0.176 54.216 54.000 0.067 0.000 0.896 881 D CB 0.162 40.991 40.800 0.048 0.000 1.028 881 D HN 0.410 nan 8.370 nan 0.000 0.509 882 E N 1.824 121.947 120.200 -0.128 0.000 2.458 882 E HA 0.237 4.588 4.350 0.002 0.000 0.278 882 E C -0.716 175.548 176.600 -0.560 0.000 1.004 882 E CA -0.935 55.222 56.400 -0.405 0.000 0.823 882 E CB 1.319 30.608 29.700 -0.686 0.000 1.396 882 E HN 0.218 nan 8.360 nan 0.000 0.463 883 K N 1.373 121.463 120.400 -0.518 0.000 2.312 883 K HA 0.284 4.605 4.320 0.002 0.000 0.287 883 K C -1.224 175.026 176.600 -0.582 0.000 1.062 883 K CA 0.097 56.149 56.287 -0.392 0.000 0.934 883 K CB 0.206 32.585 32.500 -0.202 0.000 1.027 883 K HN 0.350 nan 8.250 nan 0.000 0.478 884 Y N 1.571 121.802 120.300 -0.115 0.000 2.499 884 Y HA 0.413 4.964 4.550 0.002 0.000 0.347 884 Y C -0.161 175.650 175.900 -0.147 0.000 0.987 884 Y CA -1.092 56.931 58.100 -0.128 0.000 1.044 884 Y CB 2.038 40.423 38.460 -0.125 0.000 1.245 884 Y HN 0.119 nan 8.280 nan 0.000 0.461 885 V N 1.223 121.106 119.914 -0.052 0.000 2.815 885 V HA 0.298 4.419 4.120 0.002 0.000 0.314 885 V C -1.158 174.654 176.094 -0.471 0.000 1.064 885 V CA -0.883 61.240 62.300 -0.295 0.000 0.952 885 V CB 2.161 33.730 31.823 -0.423 0.000 1.020 885 V HN 0.751 nan 8.190 nan 0.000 0.439 886 D N 0.714 120.850 120.400 -0.440 0.000 2.329 886 D HA 0.374 5.015 4.640 0.002 0.000 0.232 886 D C -0.192 175.879 176.300 -0.381 0.000 1.088 886 D CA -0.039 53.766 54.000 -0.325 0.000 0.835 886 D CB 0.928 41.632 40.800 -0.160 0.000 1.078 886 D HN 0.497 nan 8.370 nan 0.000 0.495 887 Y N 2.551 122.840 120.300 -0.019 0.000 2.449 887 Y HA 0.058 4.609 4.550 0.001 0.000 0.254 887 Y C 1.760 177.628 175.900 -0.054 0.000 1.140 887 Y CA -0.436 57.646 58.100 -0.030 0.000 1.272 887 Y CB 0.211 38.642 38.460 -0.047 0.000 1.114 887 Y HN 0.400 nan 8.280 nan 0.000 0.525 888 M N -0.181 119.449 119.600 0.051 0.000 2.346 888 M HA -0.187 4.294 4.480 0.002 0.000 0.263 888 M C 2.112 178.414 176.300 0.004 0.000 1.064 888 M CA 1.440 56.739 55.300 -0.001 0.000 1.083 888 M CB -1.391 31.182 32.600 -0.044 0.000 1.399 888 M HN 0.313 nan 8.290 nan 0.000 0.435 889 S N -0.301 115.410 115.700 0.018 0.000 2.603 889 S HA -0.004 4.467 4.470 0.002 0.000 0.220 889 S C 1.782 176.418 174.600 0.061 0.000 0.967 889 S CA 0.648 58.864 58.200 0.027 0.000 0.920 889 S CB -0.459 62.751 63.200 0.016 0.000 0.773 889 S HN 0.549 nan 8.310 nan 0.000 0.529 890 S N 1.242 116.991 115.700 0.082 0.000 2.428 890 S HA 0.195 4.666 4.470 0.002 0.000 0.230 890 S C 0.562 175.220 174.600 0.098 0.000 1.014 890 S CA -0.131 58.140 58.200 0.120 0.000 0.957 890 S CB -0.762 62.508 63.200 0.117 0.000 0.784 890 S HN 0.520 nan 8.310 nan 0.000 0.499 891 L N 2.571 123.828 121.223 0.055 0.000 2.305 891 L HA 0.601 4.942 4.340 0.002 0.000 0.281 891 L C 0.598 177.508 176.870 0.066 0.000 1.085 891 L CA 0.292 55.175 54.840 0.072 0.000 0.813 891 L CB 0.282 42.367 42.059 0.043 0.000 1.157 891 L HN 0.554 nan 8.230 nan 0.000 0.436 892 K N 0.000 120.452 120.400 0.087 0.000 2.780 892 K HA 0.000 4.321 4.320 0.002 0.000 0.191 892 K CA 0.000 56.326 56.287 0.065 0.000 0.838 892 K CB 0.000 32.522 32.500 0.036 0.000 1.064 892 K HN 0.000 nan 8.250 nan 0.000 0.543