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 2ktq_1_A DATA FIRST_RESID 295 DATA SEQUENCE EEAPWPPPEG AFVGFVLSRK EPMWADLLAL AAARGGRVHR APEPYKALRD DATA SEQUENCE LKEARGLLAK DLSVLALREG LGLPPGDDPM LLAYLLDPSN TTPEGVARRY DATA SEQUENCE GGEWTEEAGE RAALSERLFA NLWGRLEGEE RLLWLYREVE RPLSAVLAHM DATA SEQUENCE EATGVRLDVA YLRALSLEVA EEIARLEAEV FRLAGHPFNL NSRDQLERVL DATA SEQUENCE FDELGLPAIG KTEKTGKRST SAAVLEALRE AHPIVEKILQ YRELTKLKST DATA SEQUENCE YIDPLPDLIH PRTGRLHTRF NQTATATGRL SSSDPNLQNI PVRTPLGQRI DATA SEQUENCE RRAFIAEEGW LLVALDYSQI ELRVLAHLSG DENLIRVFQE GRDIHTETAS DATA SEQUENCE XXXXXXXXXX DPLMRRAAKT INFGVLYGMS AHRLSQELAI PYEEAQAFIE DATA SEQUENCE RYFQSFPKVR AWIEKTLEEG RRRGYVETLF GRRRYVPDLE ARVKSVREAA DATA SEQUENCE ERMAFNMPVQ GTAADLMKLA MVKLFPRLEE MGARMLLQVH DELVLEAPKE DATA SEQUENCE RAEAVARLAK EVMEGVYPLA VPLEVEVGIG EDWLSAKE 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 295 E HA 0.000 nan 4.350 nan 0.000 0.291 295 E C 0.000 176.547 176.600 -0.089 0.000 1.382 295 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 295 E CB 0.000 29.674 29.700 -0.043 0.000 0.812 296 E N 0.157 120.316 120.200 -0.069 0.000 2.366 296 E HA 0.670 5.024 4.350 0.006 0.000 0.266 296 E C 0.353 176.885 176.600 -0.113 0.000 1.015 296 E CA 0.200 56.551 56.400 -0.082 0.000 0.906 296 E CB 1.157 30.838 29.700 -0.031 0.000 0.979 296 E HN 2.022 nan 8.360 nan 0.000 0.443 297 A N 3.914 126.611 122.820 -0.205 0.000 2.413 297 A HA 0.826 5.150 4.320 0.006 0.000 0.307 297 A C -2.711 174.882 177.584 0.016 0.000 1.087 297 A CA -1.829 50.109 52.037 -0.164 0.000 0.750 297 A CB 1.386 20.159 19.000 -0.379 0.000 1.296 297 A HN 0.548 nan 8.150 nan 0.000 0.423 298 P HA -0.093 nan 4.420 nan 0.000 0.265 298 P C 1.085 178.547 177.300 0.269 0.000 1.187 298 P CA -0.069 63.132 63.100 0.167 0.000 0.766 298 P CB 0.318 32.086 31.700 0.112 0.000 0.820 299 W N 5.344 126.708 121.300 0.106 0.000 2.272 299 W HA -0.210 4.453 4.660 0.006 0.000 0.344 299 W C -1.624 174.923 176.519 0.045 0.000 1.390 299 W CA 0.802 58.202 57.345 0.092 0.000 1.331 299 W CB -2.178 27.307 29.460 0.042 0.000 1.103 299 W HN 0.323 nan 8.180 nan 0.000 0.470 300 P HA 0.005 nan 4.420 nan 0.000 0.254 300 P C -2.226 174.626 177.300 -0.747 0.000 1.186 300 P CA -0.033 62.532 63.100 -0.892 0.000 0.868 300 P CB 0.225 31.672 31.700 -0.422 0.000 0.856 301 P HA 0.334 nan 4.420 nan 0.000 0.281 301 P C -2.477 174.438 177.300 -0.641 0.000 1.264 301 P CA -2.268 60.136 63.100 -1.160 0.000 0.824 301 P CB -0.190 30.907 31.700 -1.004 0.000 1.092 302 P HA 0.189 nan 4.420 nan 0.000 0.274 302 P C -0.002 177.152 177.300 -0.244 0.000 1.237 302 P CA -0.137 62.810 63.100 -0.255 0.000 0.793 302 P CB 0.716 32.332 31.700 -0.140 0.000 0.977 303 E N -0.239 119.846 120.200 -0.192 0.000 2.436 303 E HA 0.230 4.583 4.350 0.006 0.000 0.262 303 E C 1.034 177.523 176.600 -0.185 0.000 1.063 303 E CA 0.937 57.227 56.400 -0.183 0.000 0.944 303 E CB -0.243 29.371 29.700 -0.144 0.000 0.950 303 E HN 0.796 nan 8.360 nan 0.000 0.444 304 G N 1.580 110.247 108.800 -0.222 0.000 2.141 304 G HA2 -0.273 3.691 3.960 0.006 0.000 0.242 304 G HA3 -0.273 3.691 3.960 0.006 0.000 0.242 304 G C 0.200 174.879 174.900 -0.369 0.000 0.982 304 G CA 0.073 45.002 45.100 -0.285 0.000 0.662 304 G HN 0.762 nan 8.290 nan 0.000 0.527 305 A N -0.592 122.056 122.820 -0.287 0.000 2.346 305 A HA 0.742 5.066 4.320 0.006 0.000 0.252 305 A C -0.132 177.273 177.584 -0.299 0.000 1.089 305 A CA -0.037 51.880 52.037 -0.200 0.000 0.797 305 A CB 0.396 19.317 19.000 -0.132 0.000 1.047 305 A HN 0.664 nan 8.150 nan 0.000 0.494 306 F N 0.564 120.502 119.950 -0.019 0.000 2.415 306 F HA 0.413 4.943 4.527 0.006 0.000 0.348 306 F C 0.696 176.536 175.800 0.066 0.000 1.119 306 F CA -0.376 57.621 58.000 -0.005 0.000 1.069 306 F CB 1.539 40.540 39.000 0.002 0.000 1.124 306 F HN 0.449 nan 8.300 nan 0.000 0.472 307 V N 1.146 121.203 119.914 0.239 0.000 3.441 307 V HA 0.753 4.876 4.120 0.006 0.000 0.300 307 V C 0.486 176.766 176.094 0.309 0.000 1.091 307 V CA -0.579 61.874 62.300 0.255 0.000 1.099 307 V CB 0.651 32.609 31.823 0.225 0.000 1.138 307 V HN 0.943 nan 8.190 nan 0.000 0.471 308 G N 1.327 110.323 108.800 0.327 0.000 2.334 308 G HA2 0.603 4.566 3.960 0.006 0.000 0.290 308 G HA3 0.603 4.566 3.960 0.006 0.000 0.290 308 G C -1.325 173.733 174.900 0.263 0.000 1.310 308 G CA -0.522 44.723 45.100 0.241 0.000 1.308 308 G HN 1.039 nan 8.290 nan 0.000 0.612 309 F N 0.724 120.687 119.950 0.022 0.000 2.613 309 F HA 0.893 5.423 4.527 0.006 0.000 0.314 309 F C -1.165 174.611 175.800 -0.039 0.000 1.075 309 F CA -1.984 55.999 58.000 -0.027 0.000 0.945 309 F CB 1.837 40.819 39.000 -0.031 0.000 1.310 309 F HN 0.295 nan 8.300 nan 0.000 0.467 310 V N 3.327 123.237 119.914 -0.006 0.000 2.531 310 V HA 0.506 4.629 4.120 0.006 0.000 0.301 310 V C -0.345 175.771 176.094 0.037 0.000 1.034 310 V CA -0.687 61.558 62.300 -0.092 0.000 0.865 310 V CB 1.564 33.322 31.823 -0.108 0.000 0.995 310 V HN 0.781 nan 8.190 nan 0.000 0.424 311 L N 3.046 124.302 121.223 0.054 0.000 2.334 311 L HA 0.439 4.782 4.340 0.006 0.000 0.272 311 L C 1.545 178.457 176.870 0.070 0.000 1.020 311 L CA -0.357 54.548 54.840 0.109 0.000 0.812 311 L CB 2.213 44.377 42.059 0.175 0.000 1.264 311 L HN 0.802 nan 8.230 nan 0.000 0.439 312 S N 0.987 116.737 115.700 0.083 0.000 2.453 312 S HA -0.009 4.464 4.470 0.006 0.000 0.231 312 S C 0.596 175.241 174.600 0.074 0.000 1.005 312 S CA 0.096 58.338 58.200 0.069 0.000 0.949 312 S CB -0.067 63.181 63.200 0.080 0.000 0.774 312 S HN 0.778 nan 8.310 nan 0.000 0.510 313 R N 0.067 120.627 120.500 0.100 0.000 2.766 313 R HA 0.453 4.797 4.340 0.006 0.000 0.270 313 R C 0.264 176.635 176.300 0.119 0.000 1.035 313 R CA -0.935 55.224 56.100 0.099 0.000 0.911 313 R CB 0.577 30.939 30.300 0.104 0.000 1.243 313 R HN 0.028 nan 8.270 nan 0.000 0.460 314 K N 0.203 120.667 120.400 0.106 0.000 2.097 314 K HA -0.047 4.276 4.320 0.006 0.000 0.205 314 K C -0.477 176.209 176.600 0.144 0.000 1.050 314 K CA 1.263 57.618 56.287 0.113 0.000 0.938 314 K CB -0.201 32.348 32.500 0.081 0.000 0.718 314 K HN 0.470 nan 8.250 nan 0.000 0.442 315 E N 2.751 123.057 120.200 0.176 0.000 2.129 315 E HA 0.070 4.423 4.350 0.006 0.000 0.283 315 E C -1.943 174.799 176.600 0.237 0.000 1.080 315 E CA -2.332 54.210 56.400 0.238 0.000 0.867 315 E CB 0.928 30.853 29.700 0.375 0.000 1.056 315 E HN 0.073 nan 8.360 nan 0.000 0.404 316 P HA -0.151 nan 4.420 nan 0.000 0.222 316 P C 0.711 178.035 177.300 0.040 0.000 1.147 316 P CA 1.022 64.193 63.100 0.117 0.000 0.790 316 P CB 0.267 32.020 31.700 0.089 0.000 0.780 317 M N -3.152 116.448 119.600 0.000 0.000 2.595 317 M HA 0.037 4.520 4.480 0.006 0.000 0.248 317 M C 0.687 176.744 176.300 -0.405 0.000 1.119 317 M CA 0.982 56.112 55.300 -0.283 0.000 1.079 317 M CB -0.720 31.630 32.600 -0.417 0.000 1.472 317 M HN 0.068 nan 8.290 nan 0.000 0.501 318 W N -0.818 120.531 121.300 0.081 0.000 2.555 318 W HA 0.419 5.082 4.660 0.005 0.000 0.324 318 W C 0.838 177.407 176.519 0.084 0.000 0.973 318 W CA -0.297 57.109 57.345 0.101 0.000 1.481 318 W CB 0.119 29.630 29.460 0.084 0.000 1.064 318 W HN -0.057 nan 8.180 nan 0.000 0.543 319 A N 0.862 123.839 122.820 0.261 0.000 2.296 319 A HA 0.414 4.737 4.320 0.006 0.000 0.264 319 A C -0.742 176.949 177.584 0.177 0.000 1.097 319 A CA 0.198 52.355 52.037 0.199 0.000 0.811 319 A CB 0.293 19.400 19.000 0.177 0.000 1.072 319 A HN 0.026 nan 8.150 nan 0.000 0.495 320 D N 0.077 120.575 120.400 0.164 0.000 2.375 320 D HA 0.312 4.955 4.640 0.006 0.000 0.247 320 D C -0.751 175.617 176.300 0.113 0.000 1.061 320 D CA -0.302 53.818 54.000 0.200 0.000 0.834 320 D CB 0.997 41.901 40.800 0.173 0.000 1.247 320 D HN 0.338 nan 8.370 nan 0.000 0.489 321 L N 5.909 127.126 121.223 -0.011 0.000 2.448 321 L HA 0.116 4.459 4.340 0.006 0.000 0.278 321 L C 1.117 177.876 176.870 -0.185 0.000 1.201 321 L CA -0.161 54.509 54.840 -0.283 0.000 1.036 321 L CB 0.064 41.574 42.059 -0.914 0.000 1.325 321 L HN 0.587 nan 8.230 nan 0.000 0.441 322 L N 3.447 124.644 121.223 -0.043 0.000 2.056 322 L HA 0.003 4.347 4.340 0.006 0.000 0.207 322 L C 0.990 177.823 176.870 -0.061 0.000 1.078 322 L CA 0.855 55.681 54.840 -0.024 0.000 0.749 322 L CB -0.246 41.810 42.059 -0.005 0.000 0.901 322 L HN 0.664 nan 8.230 nan 0.000 0.433 323 A N -0.724 122.057 122.820 -0.065 0.000 2.587 323 A HA 0.713 5.037 4.320 0.006 0.000 0.293 323 A C -1.440 176.111 177.584 -0.054 0.000 1.087 323 A CA -0.352 51.639 52.037 -0.076 0.000 0.692 323 A CB 2.048 21.013 19.000 -0.058 0.000 1.291 323 A HN 0.015 nan 8.150 nan 0.000 0.407 324 L N 0.673 121.836 121.223 -0.100 0.000 2.493 324 L HA 0.789 5.133 4.340 0.006 0.000 0.265 324 L C -0.519 176.321 176.870 -0.051 0.000 0.954 324 L CA -0.396 54.399 54.840 -0.074 0.000 0.844 324 L CB 1.881 43.795 42.059 -0.241 0.000 1.302 324 L HN 1.286 nan 8.230 nan 0.000 0.405 325 A N 3.325 126.212 122.820 0.111 0.000 2.569 325 A HA 1.011 5.334 4.320 0.006 0.000 0.290 325 A C -1.636 176.141 177.584 0.321 0.000 1.136 325 A CA -0.071 52.101 52.037 0.225 0.000 0.710 325 A CB 2.048 21.139 19.000 0.151 0.000 1.303 325 A HN 0.945 nan 8.150 nan 0.000 0.413 326 A N -0.631 122.407 122.820 0.364 0.000 2.515 326 A HA 0.919 5.242 4.320 0.006 0.000 0.298 326 A C -0.550 177.214 177.584 0.300 0.000 1.059 326 A CA 0.049 52.259 52.037 0.288 0.000 0.698 326 A CB 1.450 20.561 19.000 0.187 0.000 1.289 326 A HN 2.509 nan 8.150 nan 0.000 0.404 327 A N 0.351 123.331 122.820 0.267 0.000 2.359 327 A HA 0.975 5.299 4.320 0.006 0.000 0.303 327 A C -0.065 177.682 177.584 0.272 0.000 1.066 327 A CA 0.164 52.359 52.037 0.264 0.000 0.730 327 A CB 1.087 20.212 19.000 0.207 0.000 1.211 327 A HN 2.278 nan 8.150 nan 0.000 0.439 328 R N 0.791 121.438 120.500 0.245 0.000 2.651 328 R HA 0.820 5.163 4.340 0.006 0.000 0.278 328 R C 1.147 177.542 176.300 0.158 0.000 1.010 328 R CA 0.334 56.548 56.100 0.190 0.000 0.896 328 R CB 0.472 30.833 30.300 0.103 0.000 1.211 328 R HN 2.812 nan 8.270 nan 0.000 0.456 329 G N 0.471 109.349 108.800 0.131 0.000 3.434 329 G HA2 -0.132 3.832 3.960 0.006 0.000 0.343 329 G HA3 -0.132 3.832 3.960 0.006 0.000 0.343 329 G C 1.247 176.196 174.900 0.083 0.000 1.240 329 G CA 1.910 47.067 45.100 0.095 0.000 0.996 329 G HN 2.142 nan 8.290 nan 0.000 0.650 330 G N -1.153 107.688 108.800 0.067 0.000 3.531 330 G HA2 0.651 4.614 3.960 0.006 0.000 0.212 330 G HA3 0.651 4.614 3.960 0.006 0.000 0.212 330 G C 0.530 175.442 174.900 0.021 0.000 1.146 330 G CA 1.317 46.444 45.100 0.044 0.000 0.916 330 G HN 1.416 nan 8.290 nan 0.000 0.637 331 R N 0.003 120.509 120.500 0.011 0.000 2.549 331 R HA 0.838 5.181 4.340 0.006 0.000 0.267 331 R C -0.900 175.332 176.300 -0.113 0.000 1.045 331 R CA -0.388 55.656 56.100 -0.094 0.000 1.115 331 R CB 1.026 31.216 30.300 -0.184 0.000 1.121 331 R HN 0.352 nan 8.270 nan 0.000 0.543 332 V N 2.836 122.618 119.914 -0.221 0.000 2.482 332 V HA 0.373 4.497 4.120 0.006 0.000 0.295 332 V C -1.415 174.581 176.094 -0.163 0.000 1.026 332 V CA -0.825 61.428 62.300 -0.080 0.000 0.856 332 V CB 1.344 33.171 31.823 0.008 0.000 1.001 332 V HN 1.029 nan 8.190 nan 0.000 0.424 333 H N 3.663 122.800 119.070 0.111 0.000 2.476 333 H HA 0.688 5.248 4.556 0.006 0.000 0.328 333 H C -0.135 175.373 175.328 0.300 0.000 1.073 333 H CA -0.622 55.528 56.048 0.169 0.000 1.229 333 H CB 0.865 30.689 29.762 0.104 0.000 1.432 333 H HN 0.449 nan 8.280 nan 0.000 0.477 334 R N 1.620 122.339 120.500 0.366 0.000 2.532 334 R HA 0.713 5.057 4.340 0.006 0.000 0.295 334 R C -0.535 175.904 176.300 0.231 0.000 0.968 334 R CA -1.104 55.147 56.100 0.252 0.000 0.916 334 R CB 1.843 32.206 30.300 0.105 0.000 1.124 334 R HN 0.723 nan 8.270 nan 0.000 0.463 335 A N 3.976 126.699 122.820 -0.162 0.000 2.320 335 A HA 0.350 4.673 4.320 0.006 0.000 0.287 335 A C -1.816 175.561 177.584 -0.344 0.000 1.181 335 A CA -1.515 50.110 52.037 -0.686 0.000 0.831 335 A CB 0.465 18.431 19.000 -1.723 0.000 1.102 335 A HN 0.515 nan 8.150 nan 0.000 0.513 336 P HA -0.011 nan 4.420 nan 0.000 0.223 336 P C -0.381 176.842 177.300 -0.129 0.000 1.151 336 P CA 1.206 64.243 63.100 -0.103 0.000 0.787 336 P CB 0.189 31.872 31.700 -0.028 0.000 0.788 337 E N -2.429 117.646 120.200 -0.208 0.000 2.731 337 E HA 0.266 4.620 4.350 0.006 0.000 0.248 337 E C -2.450 174.000 176.600 -0.249 0.000 1.084 337 E CA -2.524 53.786 56.400 -0.150 0.000 0.776 337 E CB 0.277 29.933 29.700 -0.075 0.000 1.404 337 E HN -0.087 nan 8.360 nan 0.000 0.395 338 P HA -0.268 nan 4.420 nan 0.000 0.216 338 P C 0.627 177.737 177.300 -0.316 0.000 1.167 338 P CA 1.576 64.456 63.100 -0.368 0.000 0.914 338 P CB -0.044 31.439 31.700 -0.363 0.000 0.793 339 Y N -0.281 119.937 120.300 -0.136 0.000 2.053 339 Y HA -0.276 4.278 4.550 0.006 0.000 0.277 339 Y C 2.869 178.717 175.900 -0.086 0.000 1.159 339 Y CA 2.573 60.614 58.100 -0.097 0.000 1.125 339 Y CB -1.652 36.766 38.460 -0.070 0.000 0.969 339 Y HN -0.109 nan 8.280 nan 0.000 0.492 340 K N 0.430 120.880 120.400 0.083 0.000 2.147 340 K HA -0.028 4.296 4.320 0.006 0.000 0.205 340 K C 2.264 178.886 176.600 0.036 0.000 1.049 340 K CA 1.403 57.718 56.287 0.046 0.000 0.936 340 K CB -1.555 30.964 32.500 0.032 0.000 0.722 340 K HN 0.470 nan 8.250 nan 0.000 0.446 341 A N 1.183 123.949 122.820 -0.089 0.000 1.883 341 A HA -0.051 4.272 4.320 0.006 0.000 0.217 341 A C 2.414 180.096 177.584 0.164 0.000 1.186 341 A CA 1.551 53.536 52.037 -0.086 0.000 0.624 341 A CB -0.456 18.030 19.000 -0.857 0.000 0.822 341 A HN 0.475 nan 8.150 nan 0.000 0.444 342 L N -1.312 119.921 121.223 0.016 0.000 2.197 342 L HA -0.249 4.095 4.340 0.006 0.000 0.215 342 L C 2.534 179.446 176.870 0.071 0.000 1.095 342 L CA 1.479 56.339 54.840 0.033 0.000 0.764 342 L CB -0.424 41.611 42.059 -0.040 0.000 0.897 342 L HN 0.275 nan 8.230 nan 0.000 0.436 343 R N -0.206 120.345 120.500 0.085 0.000 2.339 343 R HA -0.079 4.264 4.340 0.006 0.000 0.199 343 R C 1.377 177.726 176.300 0.082 0.000 1.018 343 R CA 0.656 56.798 56.100 0.069 0.000 1.036 343 R CB -0.286 30.052 30.300 0.064 0.000 0.899 343 R HN 0.370 nan 8.270 nan 0.000 0.473 344 D N -0.559 119.929 120.400 0.147 0.000 2.355 344 D HA 0.059 4.703 4.640 0.006 0.000 0.206 344 D C 0.194 176.502 176.300 0.013 0.000 1.010 344 D CA 0.316 54.373 54.000 0.096 0.000 0.875 344 D CB 0.364 41.271 40.800 0.178 0.000 0.966 344 D HN 0.136 nan 8.370 nan 0.000 0.512 345 L N 0.516 121.770 121.223 0.052 0.000 2.395 345 L HA 0.378 4.722 4.340 0.006 0.000 0.269 345 L C 1.615 178.462 176.870 -0.039 0.000 1.133 345 L CA -0.372 54.460 54.840 -0.013 0.000 0.812 345 L CB 0.660 42.729 42.059 0.016 0.000 1.125 345 L HN -0.221 nan 8.230 nan 0.000 0.452 346 K N 2.225 122.583 120.400 -0.070 0.000 2.367 346 K HA 0.169 4.492 4.320 0.006 0.000 0.194 346 K C 0.384 176.941 176.600 -0.072 0.000 1.027 346 K CA 0.838 57.084 56.287 -0.067 0.000 1.075 346 K CB 0.065 32.518 32.500 -0.079 0.000 0.845 346 K HN 0.874 nan 8.250 nan 0.000 0.529 347 E N -2.189 117.960 120.200 -0.084 0.000 2.393 347 E HA 0.470 4.824 4.350 0.006 0.000 0.282 347 E C -1.769 174.772 176.600 -0.099 0.000 1.096 347 E CA -0.428 55.917 56.400 -0.092 0.000 0.866 347 E CB 0.844 30.481 29.700 -0.105 0.000 1.232 347 E HN 0.127 nan 8.360 nan 0.000 0.431 348 A N 2.870 125.634 122.820 -0.094 0.000 2.316 348 A HA 0.479 4.802 4.320 0.006 0.000 0.311 348 A C -0.128 177.415 177.584 -0.068 0.000 1.339 348 A CA -0.386 51.603 52.037 -0.080 0.000 0.960 348 A CB 0.055 18.997 19.000 -0.095 0.000 1.152 348 A HN 0.495 nan 8.150 nan 0.000 0.547 349 R N 2.843 123.290 120.500 -0.087 0.000 2.275 349 R HA 0.574 4.918 4.340 0.006 0.000 0.326 349 R C 0.278 176.613 176.300 0.058 0.000 0.973 349 R CA 0.804 56.818 56.100 -0.143 0.000 0.854 349 R CB 0.692 30.739 30.300 -0.420 0.000 1.156 349 R HN 1.230 nan 8.270 nan 0.000 0.487 350 G N 2.502 111.409 108.800 0.178 0.000 2.356 350 G HA2 0.036 3.999 3.960 0.006 0.000 0.288 350 G HA3 0.036 3.999 3.960 0.006 0.000 0.288 350 G C -1.411 173.644 174.900 0.259 0.000 1.302 350 G CA -1.134 44.157 45.100 0.320 0.000 0.887 350 G HN 0.440 nan 8.290 nan 0.000 0.521 351 L N 1.232 122.609 121.223 0.256 0.000 2.490 351 L HA 0.270 4.614 4.340 0.006 0.000 0.274 351 L C 1.240 178.251 176.870 0.235 0.000 1.201 351 L CA 0.082 55.038 54.840 0.193 0.000 0.869 351 L CB 0.215 42.371 42.059 0.161 0.000 1.123 351 L HN 0.665 nan 8.230 nan 0.000 0.484 352 L N 2.486 123.804 121.223 0.159 0.000 3.678 352 L HA -0.345 3.998 4.340 0.006 0.000 0.425 352 L C 1.635 178.689 176.870 0.306 0.000 1.240 352 L CA 0.270 55.233 54.840 0.204 0.000 0.876 352 L CB -1.786 40.400 42.059 0.211 0.000 1.766 352 L HN 0.915 nan 8.230 nan 0.000 0.917 353 A N 0.476 123.421 122.820 0.208 0.000 1.865 353 A HA -0.244 4.079 4.320 0.006 0.000 0.217 353 A C 2.256 179.861 177.584 0.036 0.000 1.191 353 A CA 2.161 54.272 52.037 0.123 0.000 0.623 353 A CB -0.319 18.722 19.000 0.069 0.000 0.826 353 A HN 0.628 nan 8.150 nan 0.000 0.444 354 K N -0.651 119.771 120.400 0.037 0.000 2.089 354 K HA -0.282 4.042 4.320 0.006 0.000 0.210 354 K C 1.435 178.034 176.600 -0.002 0.000 1.048 354 K CA 2.098 58.382 56.287 -0.004 0.000 0.926 354 K CB -0.356 32.148 32.500 0.007 0.000 0.714 354 K HN 0.414 nan 8.250 nan 0.000 0.448 355 D N 0.792 121.237 120.400 0.074 0.000 2.084 355 D HA -0.177 4.467 4.640 0.006 0.000 0.194 355 D C 1.838 178.119 176.300 -0.032 0.000 0.990 355 D CA 0.984 55.046 54.000 0.102 0.000 0.826 355 D CB -0.245 40.719 40.800 0.274 0.000 0.971 355 D HN 0.206 nan 8.370 nan 0.000 0.453 356 L N 0.296 121.371 121.223 -0.247 0.000 2.191 356 L HA -0.088 4.255 4.340 0.006 0.000 0.212 356 L C 2.089 178.756 176.870 -0.340 0.000 1.103 356 L CA 1.590 56.037 54.840 -0.655 0.000 0.769 356 L CB -0.659 40.566 42.059 -1.390 0.000 0.908 356 L HN -0.057 nan 8.230 nan 0.000 0.438 357 S N -1.595 113.973 115.700 -0.220 0.000 2.387 357 S HA -0.111 4.363 4.470 0.006 0.000 0.226 357 S C 1.937 176.442 174.600 -0.158 0.000 1.026 357 S CA 1.279 59.376 58.200 -0.172 0.000 0.972 357 S CB -0.413 62.702 63.200 -0.142 0.000 0.814 357 S HN 0.295 nan 8.310 nan 0.000 0.477 358 V N 1.948 121.788 119.914 -0.124 0.000 2.295 358 V HA -0.114 4.010 4.120 0.006 0.000 0.246 358 V C 2.466 178.492 176.094 -0.112 0.000 1.049 358 V CA 1.994 64.232 62.300 -0.102 0.000 1.024 358 V CB -0.680 31.119 31.823 -0.040 0.000 0.648 358 V HN 0.603 nan 8.190 nan 0.000 0.447 359 L N -0.019 121.140 121.223 -0.107 0.000 2.131 359 L HA -0.125 4.219 4.340 0.006 0.000 0.210 359 L C 2.412 179.229 176.870 -0.087 0.000 1.092 359 L CA 1.737 56.522 54.840 -0.091 0.000 0.759 359 L CB -0.438 41.571 42.059 -0.084 0.000 0.903 359 L HN 0.300 nan 8.230 nan 0.000 0.435 360 A N -0.464 122.286 122.820 -0.117 0.000 1.873 360 A HA -0.163 4.160 4.320 0.006 0.000 0.215 360 A C 2.072 179.607 177.584 -0.082 0.000 1.186 360 A CA 1.458 53.439 52.037 -0.092 0.000 0.616 360 A CB -0.721 18.211 19.000 -0.114 0.000 0.823 360 A HN 0.374 nan 8.150 nan 0.000 0.442 361 L N 0.555 121.711 121.223 -0.112 0.000 2.012 361 L HA -0.193 4.150 4.340 0.006 0.000 0.210 361 L C 2.685 179.498 176.870 -0.095 0.000 1.073 361 L CA 2.471 57.246 54.840 -0.109 0.000 0.748 361 L CB -0.912 41.054 42.059 -0.154 0.000 0.891 361 L HN 0.676 nan 8.230 nan 0.000 0.431 362 R N -0.858 119.569 120.500 -0.122 0.000 2.241 362 R HA -0.107 4.237 4.340 0.006 0.000 0.224 362 R C 1.181 177.419 176.300 -0.103 0.000 1.101 362 R CA 1.239 57.244 56.100 -0.159 0.000 0.995 362 R CB -0.388 29.766 30.300 -0.242 0.000 0.870 362 R HN 0.224 nan 8.270 nan 0.000 0.463 363 E N 0.212 120.377 120.200 -0.058 0.000 2.444 363 E HA 0.121 4.475 4.350 0.006 0.000 0.191 363 E C 0.621 177.204 176.600 -0.027 0.000 1.041 363 E CA 0.492 56.875 56.400 -0.027 0.000 0.883 363 E CB 0.938 30.657 29.700 0.033 0.000 1.024 363 E HN 0.616 nan 8.360 nan 0.000 0.470 364 G N 1.312 110.090 108.800 -0.036 0.000 2.136 364 G HA2 -0.278 3.686 3.960 0.006 0.000 0.242 364 G HA3 -0.278 3.686 3.960 0.006 0.000 0.242 364 G C 0.094 174.984 174.900 -0.016 0.000 0.989 364 G CA 0.195 45.281 45.100 -0.023 0.000 0.682 364 G HN 0.216 nan 8.290 nan 0.000 0.522 365 L N 0.003 121.211 121.223 -0.025 0.000 2.307 365 L HA 0.632 4.976 4.340 0.006 0.000 0.284 365 L C 1.701 178.550 176.870 -0.035 0.000 1.023 365 L CA -0.300 54.526 54.840 -0.023 0.000 0.810 365 L CB 1.655 43.700 42.059 -0.024 0.000 1.231 365 L HN 0.090 nan 8.230 nan 0.000 0.423 366 G N 2.979 111.768 108.800 -0.018 0.000 2.598 366 G HA2 -0.108 3.855 3.960 0.006 0.000 0.215 366 G HA3 -0.108 3.855 3.960 0.006 0.000 0.215 366 G C 0.739 175.615 174.900 -0.039 0.000 1.131 366 G CA -0.297 44.796 45.100 -0.011 0.000 0.785 366 G HN 0.486 nan 8.290 nan 0.000 0.539 367 L N 2.700 123.892 121.223 -0.051 0.000 2.951 367 L HA 0.020 4.364 4.340 0.006 0.000 0.293 367 L C -1.813 175.005 176.870 -0.087 0.000 1.040 367 L CA -0.717 54.083 54.840 -0.066 0.000 1.005 367 L CB -0.165 41.848 42.059 -0.077 0.000 1.470 367 L HN 0.004 nan 8.230 nan 0.000 0.446 368 P HA 0.385 nan 4.420 nan 0.000 0.286 368 P C -2.845 174.406 177.300 -0.082 0.000 1.261 368 P CA -2.051 61.006 63.100 -0.071 0.000 0.821 368 P CB 0.810 32.490 31.700 -0.033 0.000 1.013 369 P HA 0.251 nan 4.420 nan 0.000 0.278 369 P C 0.022 177.281 177.300 -0.068 0.000 1.238 369 P CA 0.280 63.338 63.100 -0.070 0.000 0.794 369 P CB 1.212 32.877 31.700 -0.059 0.000 0.955 370 G N 1.363 110.124 108.800 -0.065 0.000 3.264 370 G HA2 0.233 4.197 3.960 0.006 0.000 0.168 370 G HA3 0.233 4.197 3.960 0.006 0.000 0.168 370 G C -0.719 174.164 174.900 -0.029 0.000 1.145 370 G CA -0.411 44.642 45.100 -0.079 0.000 0.855 370 G HN 0.350 nan 8.290 nan 0.000 0.629 371 D N 0.952 121.322 120.400 -0.050 0.000 2.571 371 D HA 0.278 4.921 4.640 0.006 0.000 0.231 371 D C -0.762 175.622 176.300 0.141 0.000 1.133 371 D CA 1.007 55.058 54.000 0.084 0.000 0.862 371 D CB 1.141 41.749 40.800 -0.319 0.000 1.179 371 D HN 0.288 nan 8.370 nan 0.000 0.474 372 D N 2.161 122.769 120.400 0.346 0.000 2.375 372 D HA 0.144 4.788 4.640 0.006 0.000 0.241 372 D C -2.108 174.406 176.300 0.356 0.000 1.361 372 D CA -1.702 52.474 54.000 0.294 0.000 0.995 372 D CB 1.811 42.736 40.800 0.210 0.000 1.312 372 D HN -0.083 nan 8.370 nan 0.000 0.576 373 P HA -0.198 nan 4.420 nan 0.000 0.218 373 P C 1.812 179.173 177.300 0.102 0.000 1.147 373 P CA 0.939 64.189 63.100 0.251 0.000 0.827 373 P CB 0.180 31.997 31.700 0.195 0.000 0.778 374 M N -1.786 117.876 119.600 0.103 0.000 2.149 374 M HA -0.111 4.373 4.480 0.006 0.000 0.261 374 M C 1.951 178.323 176.300 0.120 0.000 1.064 374 M CA 1.305 56.639 55.300 0.057 0.000 1.102 374 M CB -1.547 31.060 32.600 0.011 0.000 1.369 374 M HN -0.010 nan 8.290 nan 0.000 0.408 375 L N -0.392 120.944 121.223 0.189 0.000 2.093 375 L HA -0.119 4.224 4.340 0.006 0.000 0.208 375 L C 2.291 179.298 176.870 0.228 0.000 1.085 375 L CA 1.201 56.213 54.840 0.287 0.000 0.755 375 L CB -1.297 41.010 42.059 0.414 0.000 0.904 375 L HN 0.175 nan 8.230 nan 0.000 0.435 376 L N -0.594 120.668 121.223 0.066 0.000 1.976 376 L HA -0.120 4.223 4.340 0.006 0.000 0.209 376 L C 2.616 179.422 176.870 -0.108 0.000 1.071 376 L CA 2.089 56.847 54.840 -0.137 0.000 0.746 376 L CB -1.355 40.556 42.059 -0.248 0.000 0.890 376 L HN 0.237 nan 8.230 nan 0.000 0.432 377 A N -1.775 120.973 122.820 -0.119 0.000 1.908 377 A HA -0.311 4.012 4.320 0.006 0.000 0.218 377 A C 2.323 179.930 177.584 0.039 0.000 1.181 377 A CA 1.849 53.796 52.037 -0.150 0.000 0.627 377 A CB -1.122 17.775 19.000 -0.172 0.000 0.818 377 A HN 0.512 nan 8.150 nan 0.000 0.445 378 Y N 0.440 120.731 120.300 -0.015 0.000 2.128 378 Y HA -0.189 4.364 4.550 0.005 0.000 0.284 378 Y C 1.960 177.884 175.900 0.040 0.000 1.154 378 Y CA 1.875 59.993 58.100 0.030 0.000 1.149 378 Y CB -0.467 38.023 38.460 0.049 0.000 0.976 378 Y HN 0.225 nan 8.280 nan 0.000 0.505 379 L N -0.875 120.329 121.223 -0.032 0.000 2.141 379 L HA -0.212 4.131 4.340 0.006 0.000 0.209 379 L C 2.430 179.240 176.870 -0.100 0.000 1.094 379 L CA 0.877 55.653 54.840 -0.107 0.000 0.763 379 L CB -0.459 41.609 42.059 0.015 0.000 0.908 379 L HN 0.262 nan 8.230 nan 0.000 0.437 380 L N -1.167 120.013 121.223 -0.071 0.000 2.109 380 L HA -0.057 4.286 4.340 0.006 0.000 0.207 380 L C 0.315 177.203 176.870 0.030 0.000 1.086 380 L CA 0.844 55.657 54.840 -0.045 0.000 0.760 380 L CB 0.079 42.101 42.059 -0.061 0.000 0.910 380 L HN 0.196 nan 8.230 nan 0.000 0.437 381 D N -1.574 118.842 120.400 0.026 0.000 2.470 381 D HA 0.144 4.787 4.640 0.006 0.000 0.233 381 D C -2.110 174.203 176.300 0.022 0.000 1.372 381 D CA -1.608 52.443 54.000 0.085 0.000 0.994 381 D CB 1.693 42.546 40.800 0.088 0.000 1.377 381 D HN -0.224 nan 8.370 nan 0.000 0.586 382 P HA -0.092 nan 4.420 nan 0.000 0.236 382 P C 0.893 178.287 177.300 0.157 0.000 1.172 382 P CA 0.592 63.591 63.100 -0.168 0.000 0.759 382 P CB 0.118 31.688 31.700 -0.217 0.000 0.843 383 S N -2.392 113.391 115.700 0.139 0.000 2.575 383 S HA 0.070 4.544 4.470 0.006 0.000 0.215 383 S C 0.914 175.601 174.600 0.145 0.000 0.966 383 S CA -0.392 57.891 58.200 0.138 0.000 0.911 383 S CB -0.857 62.400 63.200 0.094 0.000 0.780 383 S HN -0.046 nan 8.310 nan 0.000 0.514 384 N N 3.283 122.096 118.700 0.188 0.000 2.508 384 N HA 0.154 4.897 4.740 0.006 0.000 0.253 384 N C 0.710 176.326 175.510 0.176 0.000 1.145 384 N CA 0.570 53.724 53.050 0.174 0.000 0.973 384 N CB 1.255 39.856 38.487 0.189 0.000 1.305 384 N HN 0.665 nan 8.380 nan 0.000 0.506 385 T N -3.004 111.602 114.554 0.087 0.000 2.975 385 T HA 0.068 4.422 4.350 0.006 0.000 0.257 385 T C 0.789 175.453 174.700 -0.059 0.000 1.003 385 T CA -0.059 62.050 62.100 0.014 0.000 0.932 385 T CB 0.208 69.091 68.868 0.025 0.000 1.087 385 T HN 0.344 nan 8.240 nan 0.000 0.512 386 T N -0.614 113.897 114.554 -0.072 0.000 2.907 386 T HA 0.583 4.936 4.350 0.006 0.000 0.292 386 T C -2.352 172.197 174.700 -0.251 0.000 1.043 386 T CA -1.832 60.170 62.100 -0.164 0.000 1.003 386 T CB 2.423 71.212 68.868 -0.131 0.000 1.084 386 T HN -0.248 nan 8.240 nan 0.000 0.483 387 P HA -0.017 nan 4.420 nan 0.000 0.219 387 P C 0.917 177.942 177.300 -0.459 0.000 1.150 387 P CA 1.030 63.700 63.100 -0.717 0.000 0.814 387 P CB 0.282 30.911 31.700 -1.785 0.000 0.787 388 E N 0.466 120.421 120.200 -0.408 0.000 2.038 388 E HA -0.126 4.228 4.350 0.006 0.000 0.195 388 E C 2.429 179.027 176.600 -0.003 0.000 1.000 388 E CA 1.956 58.319 56.400 -0.060 0.000 0.803 388 E CB -1.461 28.235 29.700 -0.006 0.000 0.750 388 E HN 0.277 nan 8.360 nan 0.000 0.448 389 G N 0.194 108.976 108.800 -0.031 0.000 2.404 389 G HA2 -0.218 3.745 3.960 0.006 0.000 0.215 389 G HA3 -0.218 3.745 3.960 0.006 0.000 0.215 389 G C 1.764 176.698 174.900 0.058 0.000 1.174 389 G CA 0.891 45.998 45.100 0.011 0.000 0.780 389 G HN 0.184 nan 8.290 nan 0.000 0.537 390 V N 1.651 121.608 119.914 0.072 0.000 2.392 390 V HA -0.155 3.968 4.120 0.006 0.000 0.249 390 V C 3.299 179.531 176.094 0.231 0.000 1.059 390 V CA 2.030 64.452 62.300 0.203 0.000 1.051 390 V CB -0.866 31.010 31.823 0.087 0.000 0.658 390 V HN 0.497 nan 8.190 nan 0.000 0.455 391 A N 0.439 123.333 122.820 0.123 0.000 1.835 391 A HA -0.244 4.079 4.320 0.006 0.000 0.215 391 A C 2.565 180.217 177.584 0.113 0.000 1.199 391 A CA 2.904 55.026 52.037 0.142 0.000 0.615 391 A CB -0.952 18.154 19.000 0.176 0.000 0.838 391 A HN 0.484 nan 8.150 nan 0.000 0.444 392 R N -0.145 120.402 120.500 0.078 0.000 2.117 392 R HA -0.125 4.219 4.340 0.006 0.000 0.243 392 R C 2.301 178.589 176.300 -0.021 0.000 1.143 392 R CA 2.195 58.315 56.100 0.034 0.000 0.968 392 R CB -1.106 29.208 30.300 0.023 0.000 0.863 392 R HN 0.706 nan 8.270 nan 0.000 0.444 393 R N -1.732 118.739 120.500 -0.048 0.000 2.236 393 R HA 0.023 4.366 4.340 0.006 0.000 0.208 393 R C 0.416 176.428 176.300 -0.480 0.000 1.036 393 R CA 1.137 57.076 56.100 -0.268 0.000 1.001 393 R CB 0.108 30.210 30.300 -0.329 0.000 0.896 393 R HN 0.607 nan 8.270 nan 0.000 0.464 394 Y N -1.526 118.772 120.300 -0.004 0.000 2.675 394 Y HA 0.359 4.912 4.550 0.006 0.000 0.248 394 Y C 0.332 176.232 175.900 0.000 0.000 1.161 394 Y CA 0.100 58.196 58.100 -0.007 0.000 1.203 394 Y CB 2.020 40.473 38.460 -0.011 0.000 1.262 394 Y HN 0.173 nan 8.280 nan 0.000 0.544 395 G N -0.089 108.773 108.800 0.104 0.000 2.610 395 G HA2 0.325 4.288 3.960 0.006 0.000 0.136 395 G HA3 0.325 4.288 3.960 0.006 0.000 0.136 395 G C -0.012 174.932 174.900 0.072 0.000 1.070 395 G CA -0.245 44.899 45.100 0.074 0.000 0.812 395 G HN 0.804 nan 8.290 nan 0.000 0.495 396 G N -1.057 107.787 108.800 0.072 0.000 2.321 396 G HA2 0.633 4.596 3.960 0.006 0.000 0.296 396 G HA3 0.633 4.596 3.960 0.006 0.000 0.296 396 G C -1.687 173.266 174.900 0.089 0.000 1.287 396 G CA 0.133 45.279 45.100 0.077 0.000 0.846 396 G HN 0.651 nan 8.290 nan 0.000 0.508 397 E N 0.033 120.293 120.200 0.100 0.000 2.260 397 E HA 0.207 4.561 4.350 0.006 0.000 0.266 397 E C -1.126 175.574 176.600 0.166 0.000 0.887 397 E CA -0.855 55.613 56.400 0.114 0.000 0.777 397 E CB 1.642 31.376 29.700 0.058 0.000 1.205 397 E HN 0.594 nan 8.360 nan 0.000 0.414 398 W N 7.582 128.881 121.300 -0.002 0.000 2.745 398 W HA 0.036 4.700 4.660 0.006 0.000 0.370 398 W C -0.095 176.412 176.519 -0.020 0.000 1.274 398 W CA 0.190 57.527 57.345 -0.013 0.000 1.502 398 W CB 0.400 29.853 29.460 -0.011 0.000 1.589 398 W HN 0.591 nan 8.180 nan 0.000 0.482 399 T N 1.501 115.829 114.554 -0.378 0.000 2.920 399 T HA 0.243 4.597 4.350 0.006 0.000 0.292 399 T C 0.538 174.876 174.700 -0.603 0.000 1.093 399 T CA -0.278 61.602 62.100 -0.367 0.000 0.944 399 T CB 1.545 70.285 68.868 -0.214 0.000 1.605 399 T HN 0.380 nan 8.240 nan 0.000 0.590 400 E N -0.042 119.931 120.200 -0.378 0.000 2.624 400 E HA 0.258 4.612 4.350 0.006 0.000 0.210 400 E C -0.226 176.211 176.600 -0.271 0.000 0.997 400 E CA -0.133 56.056 56.400 -0.352 0.000 0.999 400 E CB 0.490 30.062 29.700 -0.214 0.000 1.040 400 E HN 0.576 nan 8.360 nan 0.000 0.469 401 E N 0.622 120.669 120.200 -0.255 0.000 2.156 401 E HA 0.380 4.733 4.350 0.006 0.000 0.279 401 E C 0.596 177.095 176.600 -0.168 0.000 0.965 401 E CA -0.311 55.988 56.400 -0.168 0.000 0.789 401 E CB 1.719 31.351 29.700 -0.114 0.000 1.098 401 E HN 0.018 nan 8.360 nan 0.000 0.397 402 A N 4.125 126.873 122.820 -0.119 0.000 1.917 402 A HA -0.193 4.131 4.320 0.006 0.000 0.219 402 A C 1.865 179.440 177.584 -0.014 0.000 1.182 402 A CA 2.173 54.169 52.037 -0.069 0.000 0.633 402 A CB -0.716 18.271 19.000 -0.022 0.000 0.819 402 A HN 0.723 nan 8.150 nan 0.000 0.448 403 G N -0.614 108.182 108.800 -0.006 0.000 2.414 403 G HA2 -0.193 3.771 3.960 0.006 0.000 0.215 403 G HA3 -0.193 3.771 3.960 0.006 0.000 0.215 403 G C 1.399 176.309 174.900 0.016 0.000 1.188 403 G CA 0.942 46.060 45.100 0.030 0.000 0.783 403 G HN 0.651 nan 8.290 nan 0.000 0.537 404 E N 0.012 120.196 120.200 -0.026 0.000 2.204 404 E HA -0.055 4.298 4.350 0.006 0.000 0.195 404 E C 2.668 179.251 176.600 -0.029 0.000 0.990 404 E CA 0.440 56.822 56.400 -0.031 0.000 0.821 404 E CB -0.038 29.625 29.700 -0.062 0.000 0.750 404 E HN 0.312 nan 8.360 nan 0.000 0.477 405 R N 0.396 120.855 120.500 -0.069 0.000 2.073 405 R HA -0.043 4.300 4.340 0.006 0.000 0.229 405 R C 2.333 178.682 176.300 0.081 0.000 1.120 405 R CA 1.156 57.228 56.100 -0.046 0.000 0.967 405 R CB -0.208 29.980 30.300 -0.186 0.000 0.862 405 R HN 0.115 nan 8.270 nan 0.000 0.436 406 A N 0.962 123.840 122.820 0.096 0.000 1.877 406 A HA -0.139 4.184 4.320 0.006 0.000 0.216 406 A C 2.335 179.996 177.584 0.128 0.000 1.186 406 A CA 1.789 53.924 52.037 0.162 0.000 0.620 406 A CB -0.871 18.240 19.000 0.185 0.000 0.822 406 A HN 0.410 nan 8.150 nan 0.000 0.443 407 A N -0.604 122.268 122.820 0.087 0.000 1.933 407 A HA -0.054 4.269 4.320 0.006 0.000 0.218 407 A C 2.149 179.746 177.584 0.023 0.000 1.175 407 A CA 1.777 53.847 52.037 0.055 0.000 0.628 407 A CB -0.639 18.387 19.000 0.042 0.000 0.814 407 A HN 0.752 nan 8.150 nan 0.000 0.444 408 L N 0.003 121.252 121.223 0.043 0.000 2.046 408 L HA -0.118 4.225 4.340 0.006 0.000 0.208 408 L C 2.490 179.377 176.870 0.028 0.000 1.077 408 L CA 2.567 57.441 54.840 0.058 0.000 0.747 408 L CB -0.689 41.441 42.059 0.118 0.000 0.896 408 L HN 0.293 nan 8.230 nan 0.000 0.432 409 S N -0.432 115.288 115.700 0.033 0.000 2.353 409 S HA -0.282 4.191 4.470 0.006 0.000 0.222 409 S C 1.829 176.171 174.600 -0.429 0.000 1.035 409 S CA 1.633 59.811 58.200 -0.037 0.000 1.025 409 S CB -0.436 62.836 63.200 0.120 0.000 0.902 409 S HN 0.672 nan 8.310 nan 0.000 0.440 410 E N 1.397 121.214 120.200 -0.638 0.000 2.023 410 E HA -0.238 4.115 4.350 0.006 0.000 0.196 410 E C 2.345 178.672 176.600 -0.455 0.000 1.003 410 E CA 1.143 56.886 56.400 -1.095 0.000 0.809 410 E CB -0.202 29.277 29.700 -0.367 0.000 0.755 410 E HN 0.351 nan 8.360 nan 0.000 0.449 411 R N 0.295 120.683 120.500 -0.186 0.000 2.096 411 R HA -0.161 4.182 4.340 0.006 0.000 0.240 411 R C 2.648 178.925 176.300 -0.038 0.000 1.139 411 R CA 1.673 57.734 56.100 -0.064 0.000 0.952 411 R CB -0.365 29.927 30.300 -0.014 0.000 0.854 411 R HN 0.319 nan 8.270 nan 0.000 0.436 412 L N -0.249 120.954 121.223 -0.034 0.000 2.083 412 L HA -0.200 4.143 4.340 0.006 0.000 0.209 412 L C 2.364 179.230 176.870 -0.005 0.000 1.083 412 L CA 1.229 56.073 54.840 0.007 0.000 0.752 412 L CB -0.410 41.670 42.059 0.035 0.000 0.899 412 L HN 0.252 nan 8.230 nan 0.000 0.433 413 F N 0.437 120.271 119.950 -0.192 0.000 2.186 413 F HA -0.174 4.356 4.527 0.006 0.000 0.299 413 F C 2.363 178.157 175.800 -0.011 0.000 1.090 413 F CA 1.052 58.979 58.000 -0.122 0.000 1.307 413 F CB -0.178 38.685 39.000 -0.229 0.000 1.019 413 F HN 0.003 nan 8.300 nan 0.000 0.489 414 A N 0.309 123.151 122.820 0.037 0.000 1.845 414 A HA -0.240 4.083 4.320 0.006 0.000 0.215 414 A C 2.161 179.755 177.584 0.018 0.000 1.195 414 A CA 1.896 53.966 52.037 0.055 0.000 0.616 414 A CB -1.249 17.790 19.000 0.066 0.000 0.832 414 A HN 0.469 nan 8.150 nan 0.000 0.443 415 N N -0.112 118.590 118.700 0.003 0.000 2.025 415 N HA -0.145 4.599 4.740 0.006 0.000 0.194 415 N C 1.576 177.052 175.510 -0.056 0.000 1.044 415 N CA 1.562 54.617 53.050 0.007 0.000 0.851 415 N CB -0.466 38.054 38.487 0.054 0.000 1.036 415 N HN 0.212 nan 8.380 nan 0.000 0.422 416 L N 0.556 121.690 121.223 -0.148 0.000 2.012 416 L HA -0.179 4.165 4.340 0.006 0.000 0.210 416 L C 2.255 178.970 176.870 -0.258 0.000 1.073 416 L CA 1.363 56.036 54.840 -0.278 0.000 0.748 416 L CB -1.639 40.203 42.059 -0.362 0.000 0.891 416 L HN 0.475 nan 8.230 nan 0.000 0.431 417 W N 0.464 121.458 121.300 -0.511 0.000 2.338 417 W HA -0.191 4.472 4.660 0.006 0.000 0.304 417 W C 2.036 178.397 176.519 -0.263 0.000 1.212 417 W CA 1.557 58.598 57.345 -0.506 0.000 1.264 417 W CB -0.329 28.739 29.460 -0.654 0.000 1.142 417 W HN 0.277 nan 8.180 nan 0.000 0.512 418 G N 0.844 109.580 108.800 -0.107 0.000 2.446 418 G HA2 -0.306 3.657 3.960 0.006 0.000 0.217 418 G HA3 -0.306 3.657 3.960 0.006 0.000 0.217 418 G C 1.585 176.371 174.900 -0.190 0.000 1.168 418 G CA 0.968 45.994 45.100 -0.124 0.000 0.771 418 G HN 0.240 nan 8.290 nan 0.000 0.551 419 R N -0.531 119.875 120.500 -0.158 0.000 2.200 419 R HA 0.044 4.387 4.340 0.006 0.000 0.234 419 R C 1.634 177.810 176.300 -0.207 0.000 1.127 419 R CA 0.289 56.306 56.100 -0.137 0.000 0.989 419 R CB -0.225 30.024 30.300 -0.086 0.000 0.869 419 R HN 0.218 nan 8.270 nan 0.000 0.459 420 L N 2.269 123.285 121.223 -0.345 0.000 2.693 420 L HA -0.006 4.337 4.340 0.006 0.000 0.242 420 L C -0.157 176.485 176.870 -0.381 0.000 1.157 420 L CA 0.705 55.302 54.840 -0.405 0.000 0.929 420 L CB -1.300 40.377 42.059 -0.636 0.000 1.103 420 L HN 0.190 nan 8.230 nan 0.000 0.430 421 E N -0.896 119.131 120.200 -0.288 0.000 2.351 421 E HA 0.363 4.717 4.350 0.006 0.000 0.266 421 E C 1.269 177.789 176.600 -0.133 0.000 1.031 421 E CA 0.446 56.722 56.400 -0.206 0.000 0.911 421 E CB -0.008 29.609 29.700 -0.138 0.000 0.986 421 E HN 0.244 nan 8.360 nan 0.000 0.446 422 G N 2.673 111.407 108.800 -0.109 0.000 2.162 422 G HA2 -0.303 3.660 3.960 0.006 0.000 0.260 422 G HA3 -0.303 3.660 3.960 0.006 0.000 0.260 422 G C -0.104 174.763 174.900 -0.054 0.000 0.976 422 G CA 0.155 45.219 45.100 -0.060 0.000 0.655 422 G HN 0.529 nan 8.290 nan 0.000 0.533 423 E N 0.549 120.697 120.200 -0.087 0.000 2.280 423 E HA 0.457 4.810 4.350 0.006 0.000 0.279 423 E C 1.559 178.146 176.600 -0.021 0.000 1.325 423 E CA 0.563 56.926 56.400 -0.062 0.000 1.486 423 E CB -0.284 29.354 29.700 -0.104 0.000 1.466 423 E HN 0.778 nan 8.360 nan 0.000 0.473 424 E N 2.371 122.578 120.200 0.011 0.000 2.130 424 E HA -0.259 4.094 4.350 0.006 0.000 0.196 424 E C 1.800 178.479 176.600 0.132 0.000 0.998 424 E CA 1.376 57.815 56.400 0.064 0.000 0.806 424 E CB -0.421 29.312 29.700 0.055 0.000 0.738 424 E HN 0.201 nan 8.360 nan 0.000 0.459 425 R N -0.932 119.628 120.500 0.100 0.000 2.062 425 R HA 0.065 4.408 4.340 0.006 0.000 0.229 425 R C 2.463 178.896 176.300 0.222 0.000 1.128 425 R CA 1.083 57.271 56.100 0.146 0.000 0.960 425 R CB -0.678 29.667 30.300 0.074 0.000 0.855 425 R HN 0.364 nan 8.270 nan 0.000 0.432 426 L N 1.224 122.520 121.223 0.121 0.000 2.046 426 L HA -0.099 4.244 4.340 0.006 0.000 0.208 426 L C 2.407 179.365 176.870 0.147 0.000 1.077 426 L CA 1.409 56.310 54.840 0.102 0.000 0.747 426 L CB -0.719 41.340 42.059 -0.001 0.000 0.896 426 L HN 0.095 nan 8.230 nan 0.000 0.432 427 L N -2.808 118.481 121.223 0.111 0.000 2.141 427 L HA -0.242 4.102 4.340 0.006 0.000 0.209 427 L C 2.317 179.341 176.870 0.256 0.000 1.094 427 L CA 1.100 56.018 54.840 0.130 0.000 0.763 427 L CB -0.482 41.591 42.059 0.022 0.000 0.908 427 L HN 0.420 nan 8.230 nan 0.000 0.437 428 W N 0.271 121.629 121.300 0.098 0.000 2.381 428 W HA -0.163 4.501 4.660 0.006 0.000 0.301 428 W C 2.143 178.713 176.519 0.085 0.000 1.205 428 W CA 1.165 58.569 57.345 0.098 0.000 1.285 428 W CB 0.015 29.532 29.460 0.094 0.000 1.133 428 W HN -0.041 nan 8.180 nan 0.000 0.521 429 L N -0.402 121.053 121.223 0.387 0.000 2.141 429 L HA -0.212 4.131 4.340 0.006 0.000 0.209 429 L C 2.334 179.242 176.870 0.063 0.000 1.094 429 L CA 1.222 56.181 54.840 0.199 0.000 0.763 429 L CB -0.955 41.258 42.059 0.258 0.000 0.908 429 L HN 0.104 nan 8.230 nan 0.000 0.437 430 Y N 0.781 121.097 120.300 0.026 0.000 2.114 430 Y HA -0.178 4.376 4.550 0.006 0.000 0.284 430 Y C 2.774 178.670 175.900 -0.007 0.000 1.119 430 Y CA 1.430 59.561 58.100 0.050 0.000 1.108 430 Y CB -0.166 38.373 38.460 0.133 0.000 0.995 430 Y HN -0.082 nan 8.280 nan 0.000 0.491 431 R N -0.311 120.151 120.500 -0.062 0.000 2.096 431 R HA -0.147 4.196 4.340 0.006 0.000 0.235 431 R C 1.778 177.875 176.300 -0.339 0.000 1.127 431 R CA 1.697 57.680 56.100 -0.195 0.000 0.968 431 R CB -0.180 30.118 30.300 -0.004 0.000 0.861 431 R HN 0.279 nan 8.270 nan 0.000 0.440 432 E N -0.854 119.029 120.200 -0.528 0.000 2.472 432 E HA 0.027 4.380 4.350 0.006 0.000 0.196 432 E C 0.964 177.233 176.600 -0.551 0.000 1.033 432 E CA 0.214 56.202 56.400 -0.687 0.000 0.886 432 E CB 0.858 29.732 29.700 -1.377 0.000 0.944 432 E HN 0.039 nan 8.360 nan 0.000 0.492 433 V N -0.909 118.754 119.914 -0.418 0.000 3.889 433 V HA 0.030 4.153 4.120 0.006 0.000 0.184 433 V C 1.632 177.622 176.094 -0.174 0.000 1.311 433 V CA -0.062 62.077 62.300 -0.270 0.000 1.277 433 V CB -0.183 31.502 31.823 -0.231 0.000 1.364 433 V HN -0.042 nan 8.190 nan 0.000 0.567 434 E N 1.257 121.389 120.200 -0.113 0.000 2.021 434 E HA -0.276 4.077 4.350 0.006 0.000 0.200 434 E C 2.125 178.651 176.600 -0.123 0.000 1.015 434 E CA 2.113 58.489 56.400 -0.040 0.000 0.824 434 E CB -0.317 29.453 29.700 0.117 0.000 0.762 434 E HN 0.424 nan 8.360 nan 0.000 0.454 435 R N 0.519 120.833 120.500 -0.310 0.000 2.082 435 R HA -0.117 4.226 4.340 0.006 0.000 0.234 435 R C -0.548 175.624 176.300 -0.214 0.000 1.136 435 R CA 2.127 58.022 56.100 -0.342 0.000 0.935 435 R CB -1.020 28.891 30.300 -0.649 0.000 0.842 435 R HN 0.162 nan 8.270 nan 0.000 0.430 436 P HA -0.174 nan 4.420 nan 0.000 0.216 436 P C 1.432 178.645 177.300 -0.145 0.000 1.150 436 P CA 1.052 64.056 63.100 -0.159 0.000 0.837 436 P CB -0.142 31.463 31.700 -0.158 0.000 0.786 437 L N 0.796 121.933 121.223 -0.144 0.000 2.141 437 L HA -0.101 4.243 4.340 0.006 0.000 0.209 437 L C 2.540 179.326 176.870 -0.140 0.000 1.094 437 L CA 2.115 56.871 54.840 -0.141 0.000 0.763 437 L CB -1.323 40.672 42.059 -0.107 0.000 0.908 437 L HN -0.005 nan 8.230 nan 0.000 0.437 438 S N -0.428 115.208 115.700 -0.106 0.000 2.420 438 S HA -0.200 4.274 4.470 0.006 0.000 0.237 438 S C 2.022 176.558 174.600 -0.106 0.000 1.023 438 S CA 1.075 59.228 58.200 -0.079 0.000 0.991 438 S CB -0.727 62.445 63.200 -0.046 0.000 0.792 438 S HN 0.561 nan 8.310 nan 0.000 0.488 439 A N 1.102 123.843 122.820 -0.132 0.000 1.903 439 A HA 0.237 4.560 4.320 0.006 0.000 0.213 439 A C 2.389 179.836 177.584 -0.228 0.000 1.185 439 A CA 1.111 53.068 52.037 -0.133 0.000 0.628 439 A CB -0.914 18.038 19.000 -0.080 0.000 0.830 439 A HN 0.463 nan 8.150 nan 0.000 0.446 440 V N 0.615 120.292 119.914 -0.394 0.000 2.332 440 V HA -0.291 3.833 4.120 0.006 0.000 0.248 440 V C 2.556 178.367 176.094 -0.471 0.000 1.055 440 V CA 2.067 63.908 62.300 -0.765 0.000 1.038 440 V CB -0.908 30.544 31.823 -0.619 0.000 0.651 440 V HN 0.565 nan 8.190 nan 0.000 0.450 441 L N 0.093 121.147 121.223 -0.282 0.000 2.083 441 L HA -0.135 4.208 4.340 0.006 0.000 0.209 441 L C 2.750 179.568 176.870 -0.086 0.000 1.083 441 L CA 1.466 56.197 54.840 -0.181 0.000 0.752 441 L CB -0.872 41.141 42.059 -0.076 0.000 0.899 441 L HN 0.356 nan 8.230 nan 0.000 0.433 442 A N -0.467 122.288 122.820 -0.107 0.000 1.902 442 A HA -0.254 4.070 4.320 0.006 0.000 0.217 442 A C 1.992 179.503 177.584 -0.122 0.000 1.181 442 A CA 1.762 53.734 52.037 -0.108 0.000 0.623 442 A CB -0.815 18.083 19.000 -0.170 0.000 0.818 442 A HN 0.437 nan 8.150 nan 0.000 0.443 443 H N -1.364 117.634 119.070 -0.120 0.000 2.389 443 H HA 0.038 4.598 4.556 0.006 0.000 0.299 443 H C 2.182 177.505 175.328 -0.008 0.000 1.081 443 H CA 1.826 57.851 56.048 -0.038 0.000 1.345 443 H CB -0.138 29.626 29.762 0.004 0.000 1.393 443 H HN 0.419 nan 8.280 nan 0.000 0.520 444 M N 0.096 119.718 119.600 0.036 0.000 2.086 444 M HA -0.184 4.299 4.480 0.006 0.000 0.261 444 M C 1.962 178.322 176.300 0.101 0.000 1.067 444 M CA 1.729 57.027 55.300 -0.005 0.000 1.116 444 M CB -0.074 32.379 32.600 -0.245 0.000 1.348 444 M HN 0.376 nan 8.290 nan 0.000 0.407 445 E N 0.359 120.659 120.200 0.167 0.000 2.072 445 E HA -0.151 4.203 4.350 0.006 0.000 0.191 445 E C 2.112 178.851 176.600 0.233 0.000 0.985 445 E CA 1.272 57.813 56.400 0.235 0.000 0.801 445 E CB -0.265 29.563 29.700 0.214 0.000 0.750 445 E HN 0.517 nan 8.360 nan 0.000 0.452 446 A N 1.374 124.277 122.820 0.138 0.000 1.902 446 A HA -0.186 4.137 4.320 0.006 0.000 0.217 446 A C 2.412 180.117 177.584 0.201 0.000 1.181 446 A CA 1.978 54.086 52.037 0.118 0.000 0.623 446 A CB -0.944 18.054 19.000 -0.003 0.000 0.818 446 A HN 0.180 nan 8.150 nan 0.000 0.443 447 T N -0.786 113.833 114.554 0.108 0.000 2.614 447 T HA 0.324 4.678 4.350 0.006 0.000 0.263 447 T C 1.319 175.928 174.700 -0.152 0.000 1.055 447 T CA 1.805 63.919 62.100 0.024 0.000 1.162 447 T CB -0.943 67.932 68.868 0.012 0.000 0.863 447 T HN 1.775 nan 8.240 nan 0.000 0.414 448 G N -0.126 108.508 108.800 -0.277 0.000 2.757 448 G HA2 -0.029 3.934 3.960 0.006 0.000 0.638 448 G HA3 -0.029 3.934 3.960 0.006 0.000 0.638 448 G C -0.859 173.886 174.900 -0.259 0.000 1.344 448 G CA -0.431 44.340 45.100 -0.550 0.000 0.855 448 G HN 0.878 nan 8.290 nan 0.000 0.537 449 V N 0.509 120.317 119.914 -0.177 0.000 2.709 449 V HA 0.787 4.911 4.120 0.006 0.000 0.308 449 V C 0.765 176.829 176.094 -0.051 0.000 1.062 449 V CA -0.471 61.792 62.300 -0.062 0.000 0.901 449 V CB 1.602 33.475 31.823 0.084 0.000 1.003 449 V HN 1.131 nan 8.190 nan 0.000 0.425 450 R N 4.158 124.615 120.500 -0.070 0.000 2.537 450 R HA 0.470 4.813 4.340 0.006 0.000 0.280 450 R C -1.251 174.987 176.300 -0.103 0.000 1.058 450 R CA -0.196 55.857 56.100 -0.078 0.000 1.057 450 R CB 0.842 31.090 30.300 -0.087 0.000 0.973 450 R HN 0.656 nan 8.270 nan 0.000 0.438 451 L N 3.094 124.235 121.223 -0.138 0.000 2.386 451 L HA 0.275 4.618 4.340 0.006 0.000 0.271 451 L C -1.033 175.758 176.870 -0.132 0.000 0.993 451 L CA -0.447 54.246 54.840 -0.245 0.000 0.819 451 L CB 1.978 43.835 42.059 -0.337 0.000 1.294 451 L HN 0.583 nan 8.230 nan 0.000 0.414 452 D N 3.359 123.687 120.400 -0.120 0.000 2.508 452 D HA 0.097 4.741 4.640 0.006 0.000 0.224 452 D C 1.082 177.413 176.300 0.052 0.000 1.171 452 D CA 0.173 54.156 54.000 -0.029 0.000 1.006 452 D CB 0.708 41.464 40.800 -0.073 0.000 1.073 452 D HN 0.421 nan 8.370 nan 0.000 0.513 453 V N 3.204 123.132 119.914 0.023 0.000 2.343 453 V HA -0.258 3.865 4.120 0.006 0.000 0.247 453 V C 2.478 178.605 176.094 0.055 0.000 1.051 453 V CA 2.074 64.394 62.300 0.033 0.000 1.036 453 V CB -0.587 31.247 31.823 0.020 0.000 0.654 453 V HN 0.594 nan 8.190 nan 0.000 0.451 454 A N -1.206 121.652 122.820 0.064 0.000 2.015 454 A HA -0.220 4.103 4.320 0.006 0.000 0.219 454 A C 2.113 179.753 177.584 0.094 0.000 1.163 454 A CA 1.749 53.823 52.037 0.061 0.000 0.646 454 A CB -0.659 18.374 19.000 0.055 0.000 0.806 454 A HN 0.652 nan 8.150 nan 0.000 0.448 455 Y N 0.518 120.812 120.300 -0.010 0.000 2.089 455 Y HA -0.171 4.383 4.550 0.006 0.000 0.282 455 Y C 1.933 177.831 175.900 -0.004 0.000 1.139 455 Y CA 1.991 60.088 58.100 -0.005 0.000 1.123 455 Y CB -0.467 37.989 38.460 -0.006 0.000 0.980 455 Y HN 0.193 nan 8.280 nan 0.000 0.493 456 L N 0.047 121.300 121.223 0.050 0.000 2.127 456 L HA -0.257 4.087 4.340 0.006 0.000 0.211 456 L C 2.651 179.470 176.870 -0.085 0.000 1.089 456 L CA 1.142 55.945 54.840 -0.063 0.000 0.757 456 L CB -0.498 41.587 42.059 0.044 0.000 0.899 456 L HN 0.216 nan 8.230 nan 0.000 0.434 457 R N -0.034 120.441 120.500 -0.042 0.000 2.081 457 R HA -0.108 4.236 4.340 0.006 0.000 0.235 457 R C 2.338 178.597 176.300 -0.067 0.000 1.131 457 R CA 1.502 57.579 56.100 -0.039 0.000 0.960 457 R CB -0.846 29.445 30.300 -0.015 0.000 0.856 457 R HN 0.366 nan 8.270 nan 0.000 0.436 458 A N 1.495 124.261 122.820 -0.089 0.000 1.933 458 A HA -0.104 4.219 4.320 0.006 0.000 0.218 458 A C 2.301 179.796 177.584 -0.148 0.000 1.175 458 A CA 0.916 52.891 52.037 -0.103 0.000 0.628 458 A CB -0.575 18.365 19.000 -0.101 0.000 0.814 458 A HN 0.213 nan 8.150 nan 0.000 0.444 459 L N -0.671 120.410 121.223 -0.236 0.000 2.046 459 L HA -0.166 4.177 4.340 0.006 0.000 0.208 459 L C 2.826 179.620 176.870 -0.128 0.000 1.077 459 L CA 1.879 56.580 54.840 -0.232 0.000 0.747 459 L CB -0.425 41.444 42.059 -0.317 0.000 0.896 459 L HN 0.507 nan 8.230 nan 0.000 0.432 460 S N -0.177 115.464 115.700 -0.098 0.000 2.359 460 S HA -0.210 4.263 4.470 0.006 0.000 0.223 460 S C 1.896 176.461 174.600 -0.058 0.000 1.039 460 S CA 1.473 59.635 58.200 -0.064 0.000 1.042 460 S CB -0.129 63.042 63.200 -0.048 0.000 0.915 460 S HN 0.260 nan 8.310 nan 0.000 0.439 461 L N 2.078 123.268 121.223 -0.055 0.000 2.042 461 L HA -0.029 4.314 4.340 0.006 0.000 0.210 461 L C 2.548 179.391 176.870 -0.045 0.000 1.076 461 L CA 1.869 56.683 54.840 -0.044 0.000 0.749 461 L CB -1.445 40.591 42.059 -0.038 0.000 0.893 461 L HN 0.459 nan 8.230 nan 0.000 0.432 462 E N -0.136 120.030 120.200 -0.056 0.000 2.077 462 E HA -0.171 4.182 4.350 0.006 0.000 0.193 462 E C 2.155 178.725 176.600 -0.050 0.000 0.989 462 E CA 1.534 57.903 56.400 -0.052 0.000 0.800 462 E CB 0.178 29.840 29.700 -0.063 0.000 0.746 462 E HN 0.313 nan 8.360 nan 0.000 0.452 463 V N 1.332 121.211 119.914 -0.058 0.000 2.427 463 V HA -0.213 3.910 4.120 0.006 0.000 0.248 463 V C 2.560 178.619 176.094 -0.058 0.000 1.051 463 V CA 1.516 63.781 62.300 -0.058 0.000 1.048 463 V CB -0.856 30.929 31.823 -0.063 0.000 0.666 463 V HN 0.364 nan 8.190 nan 0.000 0.456 464 A N 0.427 123.215 122.820 -0.053 0.000 1.892 464 A HA -0.296 4.028 4.320 0.006 0.000 0.218 464 A C 2.168 179.731 177.584 -0.036 0.000 1.188 464 A CA 2.216 54.225 52.037 -0.046 0.000 0.631 464 A CB -0.503 18.475 19.000 -0.037 0.000 0.822 464 A HN 0.679 nan 8.150 nan 0.000 0.447 465 E N -0.963 119.218 120.200 -0.032 0.000 2.150 465 E HA -0.197 4.157 4.350 0.006 0.000 0.193 465 E C 1.960 178.546 176.600 -0.024 0.000 0.985 465 E CA 1.129 57.514 56.400 -0.024 0.000 0.814 465 E CB -0.127 29.560 29.700 -0.021 0.000 0.752 465 E HN 0.674 nan 8.360 nan 0.000 0.466 466 E N 1.499 121.681 120.200 -0.031 0.000 2.107 466 E HA -0.078 4.275 4.350 0.006 0.000 0.191 466 E C 1.836 178.419 176.600 -0.027 0.000 0.982 466 E CA 0.674 57.057 56.400 -0.028 0.000 0.809 466 E CB -0.137 29.544 29.700 -0.033 0.000 0.756 466 E HN 0.250 nan 8.360 nan 0.000 0.459 467 I N 0.264 120.809 120.570 -0.042 0.000 2.315 467 I HA -0.200 3.974 4.170 0.006 0.000 0.248 467 I C 2.236 178.362 176.117 0.016 0.000 1.117 467 I CA 0.963 62.242 61.300 -0.036 0.000 1.404 467 I CB -0.265 37.666 38.000 -0.114 0.000 1.071 467 I HN 0.160 nan 8.210 nan 0.000 0.419 468 A N 0.962 123.776 122.820 -0.008 0.000 1.930 468 A HA -0.198 4.125 4.320 0.006 0.000 0.217 468 A C 2.657 180.222 177.584 -0.033 0.000 1.175 468 A CA 2.002 54.031 52.037 -0.014 0.000 0.627 468 A CB -0.831 18.164 19.000 -0.008 0.000 0.815 468 A HN 0.403 nan 8.150 nan 0.000 0.443 469 R N -0.839 119.645 120.500 -0.026 0.000 2.090 469 R HA 0.141 4.485 4.340 0.006 0.000 0.228 469 R C 1.955 178.226 176.300 -0.049 0.000 1.110 469 R CA 1.582 57.664 56.100 -0.030 0.000 0.973 469 R CB -1.292 28.996 30.300 -0.019 0.000 0.869 469 R HN 0.397 nan 8.270 nan 0.000 0.440 470 L N 1.689 122.890 121.223 -0.037 0.000 1.988 470 L HA -0.108 4.236 4.340 0.006 0.000 0.207 470 L C 2.804 179.571 176.870 -0.173 0.000 1.071 470 L CA 2.535 57.349 54.840 -0.043 0.000 0.744 470 L CB -0.757 41.333 42.059 0.053 0.000 0.893 470 L HN 0.728 nan 8.230 nan 0.000 0.433 471 E N -0.595 119.466 120.200 -0.231 0.000 2.153 471 E HA -0.213 4.140 4.350 0.006 0.000 0.194 471 E C 1.970 178.081 176.600 -0.815 0.000 0.988 471 E CA 1.251 57.227 56.400 -0.708 0.000 0.811 471 E CB -0.325 28.982 29.700 -0.655 0.000 0.746 471 E HN 0.368 nan 8.360 nan 0.000 0.466 472 A N 1.552 124.166 122.820 -0.344 0.000 1.902 472 A HA -0.194 4.129 4.320 0.006 0.000 0.217 472 A C 2.166 179.689 177.584 -0.103 0.000 1.181 472 A CA 1.494 53.447 52.037 -0.140 0.000 0.623 472 A CB -0.361 18.614 19.000 -0.042 0.000 0.818 472 A HN 0.200 nan 8.150 nan 0.000 0.443 473 E N -0.290 119.835 120.200 -0.125 0.000 2.028 473 E HA -0.131 4.223 4.350 0.006 0.000 0.191 473 E C 2.380 178.942 176.600 -0.064 0.000 0.988 473 E CA 1.584 57.945 56.400 -0.065 0.000 0.799 473 E CB -0.697 28.972 29.700 -0.052 0.000 0.755 473 E HN 0.532 nan 8.360 nan 0.000 0.447 474 V N 0.160 119.973 119.914 -0.168 0.000 2.407 474 V HA -0.225 3.899 4.120 0.006 0.000 0.248 474 V C 2.119 178.243 176.094 0.050 0.000 1.055 474 V CA 1.606 63.843 62.300 -0.105 0.000 1.049 474 V CB -0.751 30.937 31.823 -0.224 0.000 0.662 474 V HN 0.013 nan 8.190 nan 0.000 0.455 475 F N 1.166 121.065 119.950 -0.085 0.000 2.161 475 F HA 0.008 4.539 4.527 0.006 0.000 0.300 475 F C 2.739 178.529 175.800 -0.016 0.000 1.089 475 F CA 1.808 59.763 58.000 -0.076 0.000 1.282 475 F CB -1.054 37.872 39.000 -0.123 0.000 1.010 475 F HN 0.217 nan 8.300 nan 0.000 0.485 476 R N 0.707 121.319 120.500 0.187 0.000 2.148 476 R HA -0.095 4.248 4.340 0.006 0.000 0.223 476 R C 2.040 178.410 176.300 0.117 0.000 1.088 476 R CA 0.920 57.095 56.100 0.125 0.000 0.985 476 R CB -0.491 29.859 30.300 0.083 0.000 0.880 476 R HN 0.313 nan 8.270 nan 0.000 0.451 477 L N 0.014 121.309 121.223 0.121 0.000 2.179 477 L HA 0.037 4.381 4.340 0.006 0.000 0.208 477 L C 2.429 179.387 176.870 0.146 0.000 1.096 477 L CA 1.085 56.012 54.840 0.144 0.000 0.779 477 L CB -0.241 41.911 42.059 0.156 0.000 0.922 477 L HN 0.137 nan 8.230 nan 0.000 0.443 478 A N -0.698 122.199 122.820 0.128 0.000 2.169 478 A HA 0.256 4.580 4.320 0.006 0.000 0.212 478 A C 1.816 179.494 177.584 0.156 0.000 1.153 478 A CA 0.792 52.879 52.037 0.084 0.000 0.756 478 A CB -0.436 18.594 19.000 0.050 0.000 0.813 478 A HN 0.486 nan 8.150 nan 0.000 0.471 479 G N -1.003 107.890 108.800 0.156 0.000 2.159 479 G HA2 -0.196 3.768 3.960 0.006 0.000 0.256 479 G HA3 -0.196 3.768 3.960 0.006 0.000 0.256 479 G C 0.088 175.132 174.900 0.240 0.000 0.977 479 G CA 1.055 46.258 45.100 0.171 0.000 0.652 479 G HN 2.142 nan 8.290 nan 0.000 0.531 480 H N -2.973 116.139 119.070 0.070 0.000 2.984 480 H HA 0.615 5.175 4.556 0.006 0.000 0.298 480 H C -3.310 171.982 175.328 -0.061 0.000 1.378 480 H CA -1.027 55.022 56.048 0.001 0.000 1.241 480 H CB 0.519 30.269 29.762 -0.020 0.000 1.894 480 H HN 0.172 nan 8.280 nan 0.000 0.511 481 P HA 0.447 nan 4.420 nan 0.000 0.279 481 P C -1.010 175.890 177.300 -0.666 0.000 1.276 481 P CA -0.282 62.043 63.100 -1.291 0.000 0.801 481 P CB 1.163 32.162 31.700 -1.167 0.000 1.127 482 F N -3.698 115.675 119.950 -0.961 0.000 2.878 482 F HA 0.372 4.902 4.527 0.006 0.000 0.322 482 F C -1.284 174.446 175.800 -0.116 0.000 1.154 482 F CA -1.280 56.522 58.000 -0.329 0.000 0.896 482 F CB 0.073 38.955 39.000 -0.197 0.000 1.313 482 F HN 0.055 nan 8.300 nan 0.000 0.451 483 N N 2.274 121.009 118.700 0.058 0.000 2.402 483 N HA 0.135 4.878 4.740 0.006 0.000 0.259 483 N C 0.482 175.981 175.510 -0.018 0.000 1.167 483 N CA -0.016 53.038 53.050 0.006 0.000 0.949 483 N CB 0.712 39.247 38.487 0.081 0.000 1.212 483 N HN 0.902 nan 8.380 nan 0.000 0.493 484 L N 2.967 123.996 121.223 -0.324 0.000 2.549 484 L HA -0.021 4.322 4.340 0.006 0.000 0.229 484 L C 0.936 177.779 176.870 -0.045 0.000 1.158 484 L CA 0.547 55.167 54.840 -0.366 0.000 0.842 484 L CB -0.007 41.531 42.059 -0.867 0.000 0.952 484 L HN 0.479 nan 8.230 nan 0.000 0.452 485 N N -1.019 117.718 118.700 0.062 0.000 2.422 485 N HA -0.043 4.700 4.740 0.006 0.000 0.181 485 N C 0.596 176.174 175.510 0.112 0.000 1.080 485 N CA 0.212 53.343 53.050 0.135 0.000 0.893 485 N CB 0.397 38.957 38.487 0.122 0.000 0.973 485 N HN 0.032 nan 8.380 nan 0.000 0.456 486 S N 0.991 116.764 115.700 0.123 0.000 2.411 486 S HA 0.181 4.654 4.470 0.006 0.000 0.294 486 S C 1.313 175.990 174.600 0.128 0.000 1.115 486 S CA -0.733 57.539 58.200 0.119 0.000 1.071 486 S CB 0.725 64.002 63.200 0.128 0.000 0.967 486 S HN 0.264 nan 8.310 nan 0.000 0.488 487 R N 3.982 124.540 120.500 0.097 0.000 2.096 487 R HA -0.043 4.300 4.340 0.006 0.000 0.235 487 R C 1.003 177.347 176.300 0.073 0.000 1.127 487 R CA 1.796 57.948 56.100 0.087 0.000 0.968 487 R CB -0.600 29.747 30.300 0.078 0.000 0.861 487 R HN 0.400 nan 8.270 nan 0.000 0.440 488 D N 0.887 121.327 120.400 0.067 0.000 2.097 488 D HA -0.147 4.496 4.640 0.006 0.000 0.195 488 D C 2.055 178.373 176.300 0.028 0.000 0.989 488 D CA 1.407 55.438 54.000 0.051 0.000 0.827 488 D CB -0.250 40.578 40.800 0.046 0.000 0.966 488 D HN 0.450 nan 8.370 nan 0.000 0.456 489 Q N -0.412 119.418 119.800 0.051 0.000 2.119 489 Q HA -0.093 4.251 4.340 0.006 0.000 0.201 489 Q C 2.143 178.060 176.000 -0.139 0.000 0.972 489 Q CA 0.480 56.294 55.803 0.018 0.000 0.847 489 Q CB -0.037 28.806 28.738 0.175 0.000 0.903 489 Q HN 0.192 nan 8.270 nan 0.000 0.433 490 L N 0.948 122.159 121.223 -0.020 0.000 2.156 490 L HA -0.115 4.228 4.340 0.006 0.000 0.208 490 L C 2.100 178.819 176.870 -0.252 0.000 1.095 490 L CA 1.663 56.432 54.840 -0.117 0.000 0.770 490 L CB -0.282 41.829 42.059 0.087 0.000 0.914 490 L HN 0.157 nan 8.230 nan 0.000 0.439 491 E N -0.447 119.671 120.200 -0.137 0.000 2.110 491 E HA -0.248 4.106 4.350 0.006 0.000 0.193 491 E C 2.235 178.744 176.600 -0.151 0.000 0.988 491 E CA 1.047 57.378 56.400 -0.116 0.000 0.804 491 E CB 0.013 29.795 29.700 0.137 0.000 0.745 491 E HN 0.506 nan 8.360 nan 0.000 0.458 492 R N -0.170 120.255 120.500 -0.126 0.000 2.092 492 R HA -0.073 4.270 4.340 0.006 0.000 0.231 492 R C 2.414 178.591 176.300 -0.205 0.000 1.119 492 R CA 1.133 57.166 56.100 -0.112 0.000 0.970 492 R CB -0.062 30.179 30.300 -0.097 0.000 0.864 492 R HN 0.101 nan 8.270 nan 0.000 0.440 493 V N 1.184 120.885 119.914 -0.355 0.000 2.453 493 V HA -0.171 3.952 4.120 0.006 0.000 0.247 493 V C 2.171 178.040 176.094 -0.374 0.000 1.048 493 V CA 1.486 63.544 62.300 -0.405 0.000 1.049 493 V CB -0.304 31.095 31.823 -0.707 0.000 0.672 493 V HN 0.253 nan 8.190 nan 0.000 0.457 494 L N -1.384 119.534 121.223 -0.509 0.000 2.034 494 L HA -0.029 4.314 4.340 0.006 0.000 0.203 494 L C 2.358 178.940 176.870 -0.479 0.000 1.074 494 L CA 1.629 56.085 54.840 -0.640 0.000 0.748 494 L CB -0.514 40.884 42.059 -1.101 0.000 0.905 494 L HN 0.280 nan 8.230 nan 0.000 0.439 495 F N -0.797 119.111 119.950 -0.070 0.000 2.374 495 F HA 0.013 4.543 4.527 0.005 0.000 0.291 495 F C 2.152 177.925 175.800 -0.045 0.000 1.084 495 F CA 0.137 58.109 58.000 -0.046 0.000 1.413 495 F CB -0.717 38.263 39.000 -0.032 0.000 1.099 495 F HN -0.011 nan 8.300 nan 0.000 0.534 496 D N 0.484 120.936 120.400 0.086 0.000 2.107 496 D HA -0.073 4.571 4.640 0.006 0.000 0.204 496 D C 2.129 178.424 176.300 -0.009 0.000 0.978 496 D CA 1.307 55.328 54.000 0.035 0.000 0.852 496 D CB -0.270 40.535 40.800 0.009 0.000 1.008 496 D HN 0.253 nan 8.370 nan 0.000 0.458 497 E N 0.323 120.490 120.200 -0.054 0.000 2.015 497 E HA -0.030 4.323 4.350 0.006 0.000 0.191 497 E C 1.096 177.668 176.600 -0.046 0.000 0.991 497 E CA 0.441 56.808 56.400 -0.055 0.000 0.802 497 E CB 0.042 29.699 29.700 -0.072 0.000 0.759 497 E HN 0.188 nan 8.360 nan 0.000 0.447 498 L N -0.341 120.831 121.223 -0.086 0.000 2.540 498 L HA 0.239 4.583 4.340 0.006 0.000 0.215 498 L C 1.125 177.987 176.870 -0.012 0.000 1.204 498 L CA 0.013 54.808 54.840 -0.074 0.000 0.841 498 L CB 0.163 42.098 42.059 -0.207 0.000 1.420 498 L HN 0.175 nan 8.230 nan 0.000 0.519 499 G N 0.581 109.396 108.800 0.025 0.000 4.757 499 G HA2 0.419 4.382 3.960 0.006 0.000 0.303 499 G HA3 0.419 4.382 3.960 0.006 0.000 0.303 499 G C -0.297 174.661 174.900 0.096 0.000 1.318 499 G CA -0.347 44.791 45.100 0.064 0.000 1.020 499 G HN 0.188 nan 8.290 nan 0.000 0.589 500 L N 2.241 123.532 121.223 0.113 0.000 2.331 500 L HA 0.305 4.648 4.340 0.006 0.000 0.278 500 L C -1.680 175.353 176.870 0.273 0.000 1.106 500 L CA -1.837 53.107 54.840 0.173 0.000 0.824 500 L CB 1.378 43.511 42.059 0.124 0.000 1.142 500 L HN 0.087 nan 8.230 nan 0.000 0.443 501 P HA 0.032 nan 4.420 nan 0.000 0.266 501 P C -0.629 176.687 177.300 0.027 0.000 1.215 501 P CA -0.292 62.862 63.100 0.090 0.000 0.763 501 P CB 0.832 32.566 31.700 0.055 0.000 0.806 502 A N 4.774 127.471 122.820 -0.205 0.000 2.475 502 A HA 0.130 4.453 4.320 0.006 0.000 0.293 502 A C 1.466 178.869 177.584 -0.302 0.000 1.252 502 A CA -0.331 51.323 52.037 -0.639 0.000 0.920 502 A CB -0.930 17.576 19.000 -0.824 0.000 1.125 502 A HN 0.551 nan 8.150 nan 0.000 0.528 503 I N 2.108 122.569 120.570 -0.181 0.000 2.439 503 I HA 0.053 4.227 4.170 0.006 0.000 0.251 503 I C 1.457 177.522 176.117 -0.085 0.000 1.139 503 I CA 1.183 62.435 61.300 -0.080 0.000 1.438 503 I CB -0.108 37.889 38.000 -0.006 0.000 1.085 503 I HN 0.650 nan 8.210 nan 0.000 0.427 504 G N 0.012 108.741 108.800 -0.118 0.000 2.684 504 G HA2 0.687 4.650 3.960 0.006 0.000 0.290 504 G HA3 0.687 4.650 3.960 0.006 0.000 0.290 504 G C -1.371 173.469 174.900 -0.099 0.000 1.425 504 G CA -0.205 44.846 45.100 -0.081 0.000 0.822 504 G HN 0.047 nan 8.290 nan 0.000 0.482 505 K N -0.655 119.708 120.400 -0.061 0.000 2.340 505 K HA 0.921 5.244 4.320 0.006 0.000 0.244 505 K C 0.654 177.245 176.600 -0.015 0.000 0.973 505 K CA -0.089 56.169 56.287 -0.048 0.000 0.828 505 K CB 1.139 33.610 32.500 -0.048 0.000 1.226 505 K HN 1.669 nan 8.250 nan 0.000 0.437 506 T N -1.580 112.972 114.554 -0.002 0.000 2.766 506 T HA 0.168 4.522 4.350 0.006 0.000 0.295 506 T C 0.689 175.391 174.700 0.004 0.000 1.024 506 T CA 0.001 62.107 62.100 0.009 0.000 1.018 506 T CB 0.844 69.724 68.868 0.019 0.000 1.002 506 T HN 0.588 nan 8.240 nan 0.000 0.532 507 E N 0.375 120.579 120.200 0.007 0.000 2.030 507 E HA 0.003 4.357 4.350 0.006 0.000 0.189 507 E C 2.050 178.653 176.600 0.005 0.000 0.974 507 E CA 0.939 57.341 56.400 0.005 0.000 0.807 507 E CB -0.102 29.600 29.700 0.005 0.000 0.771 507 E HN 0.522 nan 8.360 nan 0.000 0.451 508 K N -0.177 120.227 120.400 0.007 0.000 2.076 508 K HA -0.026 4.297 4.320 0.006 0.000 0.204 508 K C 2.088 178.692 176.600 0.007 0.000 1.051 508 K CA 1.713 58.004 56.287 0.007 0.000 0.949 508 K CB -0.484 32.021 32.500 0.008 0.000 0.726 508 K HN 0.214 nan 8.250 nan 0.000 0.443 509 T N -3.656 110.904 114.554 0.009 0.000 3.051 509 T HA 0.189 4.542 4.350 0.006 0.000 0.255 509 T C 1.367 176.071 174.700 0.007 0.000 1.085 509 T CA 0.381 62.487 62.100 0.010 0.000 1.109 509 T CB 0.083 68.960 68.868 0.015 0.000 0.921 509 T HN 0.247 nan 8.240 nan 0.000 0.488 510 G N 1.911 110.713 108.800 0.004 0.000 2.198 510 G HA2 -0.265 3.698 3.960 0.006 0.000 0.260 510 G HA3 -0.265 3.698 3.960 0.006 0.000 0.260 510 G C -0.052 174.845 174.900 -0.005 0.000 1.025 510 G CA 0.265 45.363 45.100 -0.003 0.000 0.769 510 G HN 0.631 nan 8.290 nan 0.000 0.507 511 K N -0.488 119.915 120.400 0.006 0.000 2.107 511 K HA 0.454 4.778 4.320 0.006 0.000 0.251 511 K C 0.904 177.504 176.600 -0.000 0.000 1.012 511 K CA -0.813 55.482 56.287 0.013 0.000 0.920 511 K CB 0.782 33.304 32.500 0.038 0.000 1.033 511 K HN 0.210 nan 8.250 nan 0.000 0.478 512 R N 0.987 121.483 120.500 -0.008 0.000 2.421 512 R HA 0.003 4.347 4.340 0.006 0.000 0.305 512 R C 0.258 176.601 176.300 0.072 0.000 1.039 512 R CA 0.026 56.065 56.100 -0.101 0.000 1.003 512 R CB 0.700 30.815 30.300 -0.308 0.000 0.959 512 R HN 0.497 nan 8.270 nan 0.000 0.427 513 S N 1.201 116.922 115.700 0.036 0.000 2.601 513 S HA 0.118 4.591 4.470 0.006 0.000 0.271 513 S C 0.791 175.545 174.600 0.257 0.000 1.305 513 S CA -0.492 57.782 58.200 0.122 0.000 1.022 513 S CB 1.100 64.338 63.200 0.063 0.000 0.940 513 S HN 0.695 nan 8.310 nan 0.000 0.525 514 T N 0.381 115.062 114.554 0.212 0.000 3.296 514 T HA 0.350 4.703 4.350 0.006 0.000 0.285 514 T C 0.272 175.047 174.700 0.125 0.000 1.014 514 T CA -0.587 61.631 62.100 0.196 0.000 0.920 514 T CB -0.445 68.492 68.868 0.115 0.000 1.143 514 T HN 0.436 nan 8.240 nan 0.000 0.522 515 S N 1.216 116.982 115.700 0.110 0.000 2.563 515 S HA 0.396 4.869 4.470 0.006 0.000 0.269 515 S C 1.882 176.528 174.600 0.076 0.000 1.364 515 S CA -0.104 58.144 58.200 0.079 0.000 1.010 515 S CB 0.284 63.522 63.200 0.064 0.000 0.877 515 S HN 0.662 nan 8.310 nan 0.000 0.549 516 A N 1.184 124.041 122.820 0.062 0.000 1.969 516 A HA 0.093 4.416 4.320 0.006 0.000 0.218 516 A C 2.263 179.881 177.584 0.057 0.000 1.169 516 A CA 1.541 53.612 52.037 0.057 0.000 0.635 516 A CB -1.210 17.819 19.000 0.048 0.000 0.810 516 A HN 0.914 nan 8.150 nan 0.000 0.445 517 A N -0.435 122.417 122.820 0.054 0.000 1.858 517 A HA -0.013 4.311 4.320 0.006 0.000 0.216 517 A C 2.222 179.842 177.584 0.060 0.000 1.190 517 A CA 1.767 53.835 52.037 0.051 0.000 0.617 517 A CB -1.115 17.912 19.000 0.044 0.000 0.827 517 A HN 0.375 nan 8.150 nan 0.000 0.443 518 V N -0.356 119.600 119.914 0.071 0.000 2.252 518 V HA -0.269 3.854 4.120 0.006 0.000 0.249 518 V C 2.550 178.707 176.094 0.104 0.000 1.056 518 V CA 2.186 64.540 62.300 0.090 0.000 1.022 518 V CB -0.745 31.151 31.823 0.123 0.000 0.641 518 V HN 0.501 nan 8.190 nan 0.000 0.445 519 L N -0.399 120.884 121.223 0.101 0.000 2.141 519 L HA -0.111 4.233 4.340 0.006 0.000 0.209 519 L C 2.459 179.371 176.870 0.070 0.000 1.094 519 L CA 1.675 56.567 54.840 0.087 0.000 0.763 519 L CB -0.807 41.295 42.059 0.073 0.000 0.908 519 L HN 0.381 nan 8.230 nan 0.000 0.437 520 E N -0.845 119.392 120.200 0.062 0.000 2.106 520 E HA -0.167 4.186 4.350 0.006 0.000 0.192 520 E C 2.180 178.812 176.600 0.053 0.000 0.984 520 E CA 1.132 57.563 56.400 0.052 0.000 0.806 520 E CB -0.095 29.633 29.700 0.046 0.000 0.750 520 E HN 0.511 nan 8.360 nan 0.000 0.458 521 A N 0.847 123.701 122.820 0.057 0.000 1.969 521 A HA -0.103 4.220 4.320 0.006 0.000 0.218 521 A C 1.912 179.534 177.584 0.063 0.000 1.169 521 A CA 0.806 52.876 52.037 0.055 0.000 0.635 521 A CB -0.120 18.913 19.000 0.054 0.000 0.810 521 A HN 0.101 nan 8.150 nan 0.000 0.445 522 L N -0.601 120.668 121.223 0.077 0.000 2.612 522 L HA 0.217 4.560 4.340 0.006 0.000 0.230 522 L C 1.980 178.897 176.870 0.078 0.000 1.140 522 L CA 0.699 55.592 54.840 0.088 0.000 0.896 522 L CB -0.809 41.318 42.059 0.114 0.000 1.065 522 L HN 0.434 nan 8.230 nan 0.000 0.447 523 R N -0.450 120.088 120.500 0.064 0.000 2.189 523 R HA -0.105 4.239 4.340 0.006 0.000 0.223 523 R C 1.698 178.028 176.300 0.051 0.000 1.092 523 R CA 1.019 57.153 56.100 0.056 0.000 0.989 523 R CB 0.271 30.599 30.300 0.046 0.000 0.876 523 R HN 0.316 nan 8.270 nan 0.000 0.457 524 E N 0.056 120.285 120.200 0.048 0.000 2.170 524 E HA -0.052 4.301 4.350 0.006 0.000 0.191 524 E C 1.677 178.302 176.600 0.041 0.000 0.981 524 E CA 0.838 57.261 56.400 0.038 0.000 0.830 524 E CB -0.109 29.612 29.700 0.034 0.000 0.775 524 E HN 0.394 nan 8.360 nan 0.000 0.470 525 A N 2.268 125.126 122.820 0.062 0.000 1.881 525 A HA -0.124 4.199 4.320 0.006 0.000 0.208 525 A C 1.306 178.938 177.584 0.080 0.000 1.264 525 A CA 0.879 52.963 52.037 0.078 0.000 0.629 525 A CB -0.855 18.211 19.000 0.111 0.000 0.906 525 A HN 0.208 nan 8.150 nan 0.000 0.476 526 H N 0.336 119.418 119.070 0.021 0.000 2.511 526 H HA 0.256 4.816 4.556 0.006 0.000 0.346 526 H C -1.751 173.584 175.328 0.011 0.000 1.128 526 H CA -1.230 54.826 56.048 0.013 0.000 1.342 526 H CB 1.477 31.242 29.762 0.005 0.000 1.470 526 H HN 0.194 nan 8.280 nan 0.000 0.546 527 P HA -0.017 nan 4.420 nan 0.000 0.245 527 P C 1.400 178.761 177.300 0.101 0.000 1.212 527 P CA 0.480 63.594 63.100 0.024 0.000 0.774 527 P CB 0.305 31.977 31.700 -0.046 0.000 0.999 528 I N -0.576 120.138 120.570 0.240 0.000 2.584 528 I HA -0.124 4.050 4.170 0.006 0.000 0.255 528 I C 1.920 178.083 176.117 0.077 0.000 1.145 528 I CA 0.534 61.930 61.300 0.160 0.000 1.462 528 I CB 0.079 38.178 38.000 0.166 0.000 1.102 528 I HN -0.264 nan 8.210 nan 0.000 0.433 529 V N 1.906 121.872 119.914 0.088 0.000 2.282 529 V HA -0.343 3.780 4.120 0.006 0.000 0.249 529 V C 3.018 179.139 176.094 0.046 0.000 1.057 529 V CA 2.662 64.993 62.300 0.053 0.000 1.032 529 V CB -1.737 30.126 31.823 0.067 0.000 0.645 529 V HN 0.671 nan 8.190 nan 0.000 0.447 530 E N 0.239 120.467 120.200 0.048 0.000 2.031 530 E HA -0.323 4.030 4.350 0.006 0.000 0.193 530 E C 2.036 178.657 176.600 0.035 0.000 0.994 530 E CA 1.792 58.215 56.400 0.039 0.000 0.800 530 E CB -0.655 29.064 29.700 0.033 0.000 0.752 530 E HN 0.586 nan 8.360 nan 0.000 0.447 531 K N 0.046 120.463 120.400 0.027 0.000 2.113 531 K HA -0.007 4.317 4.320 0.006 0.000 0.208 531 K C 2.022 178.637 176.600 0.024 0.000 1.047 531 K CA 1.294 57.590 56.287 0.014 0.000 0.928 531 K CB -0.477 32.017 32.500 -0.010 0.000 0.716 531 K HN 0.554 nan 8.250 nan 0.000 0.446 532 I N -0.003 120.577 120.570 0.016 0.000 2.252 532 I HA -0.251 3.923 4.170 0.006 0.000 0.245 532 I C 1.942 178.114 176.117 0.091 0.000 1.102 532 I CA 0.949 62.264 61.300 0.025 0.000 1.385 532 I CB -0.170 37.833 38.000 0.005 0.000 1.064 532 I HN 0.080 nan 8.210 nan 0.000 0.414 533 L N 0.389 121.652 121.223 0.067 0.000 2.083 533 L HA -0.237 4.106 4.340 0.006 0.000 0.209 533 L C 2.734 179.644 176.870 0.066 0.000 1.083 533 L CA 1.395 56.275 54.840 0.066 0.000 0.752 533 L CB -0.509 41.580 42.059 0.050 0.000 0.899 533 L HN 0.407 nan 8.230 nan 0.000 0.433 534 Q N -1.276 118.562 119.800 0.063 0.000 2.137 534 Q HA -0.217 4.127 4.340 0.006 0.000 0.198 534 Q C 2.091 178.120 176.000 0.048 0.000 0.960 534 Q CA 1.272 57.102 55.803 0.044 0.000 0.847 534 Q CB -0.556 28.201 28.738 0.031 0.000 0.915 534 Q HN 0.496 nan 8.270 nan 0.000 0.448 535 Y N 2.425 122.698 120.300 -0.045 0.000 2.128 535 Y HA -0.188 4.365 4.550 0.006 0.000 0.284 535 Y C 2.375 178.249 175.900 -0.043 0.000 1.154 535 Y CA 1.532 59.594 58.100 -0.064 0.000 1.149 535 Y CB 0.013 38.412 38.460 -0.101 0.000 0.976 535 Y HN -0.093 nan 8.280 nan 0.000 0.505 536 R N 0.434 121.011 120.500 0.128 0.000 2.083 536 R HA -0.238 4.106 4.340 0.006 0.000 0.237 536 R C 2.322 178.597 176.300 -0.041 0.000 1.137 536 R CA 1.961 58.093 56.100 0.055 0.000 0.951 536 R CB -0.648 29.717 30.300 0.109 0.000 0.851 536 R HN 0.642 nan 8.270 nan 0.000 0.434 537 E N 0.680 120.868 120.200 -0.019 0.000 2.007 537 E HA -0.216 4.138 4.350 0.006 0.000 0.194 537 E C 2.011 178.577 176.600 -0.056 0.000 0.999 537 E CA 1.083 57.472 56.400 -0.017 0.000 0.811 537 E CB -0.140 29.559 29.700 -0.002 0.000 0.762 537 E HN 0.037 nan 8.360 nan 0.000 0.450 538 L N 1.370 122.535 121.223 -0.096 0.000 1.997 538 L HA -0.246 4.097 4.340 0.006 0.000 0.216 538 L C 2.903 179.664 176.870 -0.181 0.000 1.074 538 L CA 2.742 57.505 54.840 -0.128 0.000 0.763 538 L CB -1.289 40.676 42.059 -0.157 0.000 0.890 538 L HN 0.525 nan 8.230 nan 0.000 0.434 539 T N -3.466 110.890 114.554 -0.331 0.000 2.833 539 T HA -0.247 4.106 4.350 0.006 0.000 0.269 539 T C 1.921 176.516 174.700 -0.175 0.000 1.054 539 T CA 1.370 63.266 62.100 -0.339 0.000 1.135 539 T CB -0.270 68.248 68.868 -0.584 0.000 0.869 539 T HN 0.069 nan 8.240 nan 0.000 0.466 540 K N 0.858 121.187 120.400 -0.118 0.000 2.057 540 K HA 0.076 4.400 4.320 0.006 0.000 0.206 540 K C 2.011 178.594 176.600 -0.028 0.000 1.050 540 K CA 0.912 57.163 56.287 -0.060 0.000 0.935 540 K CB -0.811 31.684 32.500 -0.007 0.000 0.715 540 K HN 0.246 nan 8.250 nan 0.000 0.439 541 L N 1.153 122.404 121.223 0.045 0.000 2.072 541 L HA 0.011 4.355 4.340 0.006 0.000 0.205 541 L C 2.296 179.235 176.870 0.115 0.000 1.079 541 L CA 1.706 56.662 54.840 0.195 0.000 0.752 541 L CB -1.040 41.106 42.059 0.144 0.000 0.906 541 L HN 0.260 nan 8.230 nan 0.000 0.436 542 K N -0.215 120.186 120.400 0.001 0.000 1.965 542 K HA -0.181 4.142 4.320 0.006 0.000 0.214 542 K C 2.321 178.889 176.600 -0.054 0.000 1.046 542 K CA 1.900 58.172 56.287 -0.025 0.000 0.944 542 K CB -0.210 32.248 32.500 -0.069 0.000 0.726 542 K HN 0.343 nan 8.250 nan 0.000 0.441 543 S N -0.606 115.038 115.700 -0.093 0.000 2.402 543 S HA -0.156 4.318 4.470 0.006 0.000 0.233 543 S C 1.791 176.295 174.600 -0.160 0.000 1.030 543 S CA 1.911 60.047 58.200 -0.107 0.000 1.003 543 S CB -0.675 62.462 63.200 -0.104 0.000 0.813 543 S HN 0.434 nan 8.310 nan 0.000 0.477 544 T N -0.232 114.159 114.554 -0.272 0.000 3.010 544 T HA 0.259 4.613 4.350 0.006 0.000 0.252 544 T C 1.033 175.370 174.700 -0.605 0.000 1.047 544 T CA 0.893 62.675 62.100 -0.529 0.000 1.140 544 T CB -0.203 68.141 68.868 -0.873 0.000 0.885 544 T HN 0.658 nan 8.240 nan 0.000 0.464 545 Y N 0.036 120.351 120.300 0.024 0.000 2.697 545 Y HA 0.442 4.995 4.550 0.006 0.000 0.268 545 Y C 2.102 178.028 175.900 0.044 0.000 1.092 545 Y CA -0.532 57.602 58.100 0.057 0.000 1.304 545 Y CB -0.148 38.363 38.460 0.085 0.000 1.446 545 Y HN -0.049 nan 8.280 nan 0.000 0.491 546 I N 0.785 121.467 120.570 0.187 0.000 2.264 546 I HA -0.275 3.898 4.170 0.006 0.000 0.248 546 I C 1.253 177.393 176.117 0.038 0.000 1.111 546 I CA 1.688 63.042 61.300 0.090 0.000 1.382 546 I CB -0.236 37.788 38.000 0.040 0.000 1.060 546 I HN 0.314 nan 8.210 nan 0.000 0.418 547 D N 0.292 120.700 120.400 0.014 0.000 2.269 547 D HA -0.013 4.631 4.640 0.006 0.000 0.220 547 D C -0.425 175.871 176.300 -0.007 0.000 0.962 547 D CA 0.952 54.947 54.000 -0.008 0.000 0.884 547 D CB -1.325 39.458 40.800 -0.028 0.000 1.023 547 D HN 0.282 nan 8.370 nan 0.000 0.484 548 P HA 0.023 nan 4.420 nan 0.000 0.221 548 P C 1.992 179.301 177.300 0.015 0.000 1.155 548 P CA 0.520 63.612 63.100 -0.013 0.000 0.812 548 P CB 0.225 31.904 31.700 -0.036 0.000 0.801 549 L N 0.196 121.452 121.223 0.055 0.000 1.990 549 L HA -0.127 4.217 4.340 0.006 0.000 0.213 549 L C -0.225 176.673 176.870 0.046 0.000 1.072 549 L CA 2.307 57.194 54.840 0.078 0.000 0.755 549 L CB -2.526 39.603 42.059 0.117 0.000 0.889 549 L HN 0.027 nan 8.230 nan 0.000 0.432 550 P HA -0.150 nan 4.420 nan 0.000 0.219 550 P C 0.711 178.029 177.300 0.029 0.000 1.146 550 P CA 1.303 64.416 63.100 0.023 0.000 0.808 550 P CB -0.034 31.675 31.700 0.016 0.000 0.779 551 D N -1.417 118.991 120.400 0.014 0.000 2.317 551 D HA 0.015 4.658 4.640 0.006 0.000 0.211 551 D C 1.574 177.869 176.300 -0.008 0.000 0.966 551 D CA 0.698 54.694 54.000 -0.006 0.000 0.876 551 D CB -0.242 40.536 40.800 -0.036 0.000 0.927 551 D HN 0.240 nan 8.370 nan 0.000 0.519 552 L N 0.059 121.302 121.223 0.034 0.000 2.592 552 L HA 0.160 4.504 4.340 0.006 0.000 0.227 552 L C 0.626 177.686 176.870 0.317 0.000 1.127 552 L CA -0.458 54.430 54.840 0.080 0.000 0.884 552 L CB 0.208 42.319 42.059 0.088 0.000 1.065 552 L HN -0.086 nan 8.230 nan 0.000 0.457 553 I N 0.190 120.907 120.570 0.245 0.000 2.815 553 I HA -0.148 4.026 4.170 0.006 0.000 0.291 553 I C 0.876 177.253 176.117 0.434 0.000 1.209 553 I CA 0.542 62.013 61.300 0.286 0.000 1.431 553 I CB 0.065 38.157 38.000 0.153 0.000 1.351 553 I HN 0.054 nan 8.210 nan 0.000 0.585 554 H N 8.536 127.773 119.070 0.278 0.000 2.548 554 H HA 0.232 4.791 4.556 0.006 0.000 0.331 554 H C -1.832 173.511 175.328 0.025 0.000 1.093 554 H CA -1.731 54.352 56.048 0.058 0.000 1.367 554 H CB 1.640 31.248 29.762 -0.256 0.000 1.455 554 H HN 0.409 nan 8.280 nan 0.000 0.519 555 P HA -0.140 nan 4.420 nan 0.000 0.214 555 P C 0.845 178.131 177.300 -0.024 0.000 1.162 555 P CA 1.304 64.316 63.100 -0.148 0.000 0.879 555 P CB 0.273 31.844 31.700 -0.215 0.000 0.786 556 R N -0.447 120.083 120.500 0.050 0.000 2.339 556 R HA 0.014 4.357 4.340 0.006 0.000 0.199 556 R C 2.019 178.393 176.300 0.123 0.000 1.018 556 R CA 1.581 57.755 56.100 0.123 0.000 1.036 556 R CB -0.682 29.701 30.300 0.139 0.000 0.899 556 R HN 0.403 nan 8.270 nan 0.000 0.473 557 T N -5.187 109.479 114.554 0.187 0.000 3.168 557 T HA 0.171 4.524 4.350 0.006 0.000 0.261 557 T C 1.333 176.098 174.700 0.110 0.000 0.931 557 T CA 0.553 62.727 62.100 0.124 0.000 0.949 557 T CB 0.649 69.627 68.868 0.183 0.000 1.229 557 T HN 0.212 nan 8.240 nan 0.000 0.504 558 G N 2.142 111.027 108.800 0.142 0.000 2.160 558 G HA2 -0.204 3.759 3.960 0.006 0.000 0.251 558 G HA3 -0.204 3.759 3.960 0.006 0.000 0.251 558 G C -0.004 174.949 174.900 0.087 0.000 1.008 558 G CA 0.347 45.505 45.100 0.097 0.000 0.724 558 G HN 0.817 nan 8.290 nan 0.000 0.514 559 R N -1.413 119.175 120.500 0.148 0.000 2.912 559 R HA 0.727 5.070 4.340 0.006 0.000 0.262 559 R C -0.184 176.201 176.300 0.143 0.000 1.057 559 R CA -1.085 55.052 56.100 0.062 0.000 0.981 559 R CB 1.295 31.554 30.300 -0.069 0.000 1.201 559 R HN 0.115 nan 8.270 nan 0.000 0.484 560 L N 2.112 123.361 121.223 0.044 0.000 2.265 560 L HA 0.292 4.636 4.340 0.006 0.000 0.288 560 L C -0.639 176.240 176.870 0.016 0.000 1.058 560 L CA -0.311 54.617 54.840 0.146 0.000 0.809 560 L CB 0.629 42.788 42.059 0.167 0.000 1.179 560 L HN 0.475 nan 8.230 nan 0.000 0.429 561 H N 1.085 120.269 119.070 0.189 0.000 2.683 561 H HA 0.183 4.742 4.556 0.006 0.000 0.270 561 H C 0.224 175.642 175.328 0.150 0.000 1.201 561 H CA -0.196 55.931 56.048 0.132 0.000 1.277 561 H CB 1.055 30.835 29.762 0.030 0.000 1.400 561 H HN 0.437 nan 8.280 nan 0.000 0.504 562 T N 1.897 116.531 114.554 0.134 0.000 2.913 562 T HA 0.352 4.706 4.350 0.006 0.000 0.287 562 T C 0.508 175.136 174.700 -0.119 0.000 1.008 562 T CA -0.754 61.335 62.100 -0.017 0.000 1.067 562 T CB 0.708 69.466 68.868 -0.185 0.000 0.996 562 T HN 0.529 nan 8.240 nan 0.000 0.513 563 R N 1.937 122.338 120.500 -0.163 0.000 2.410 563 R HA 0.445 4.788 4.340 0.006 0.000 0.288 563 R C -0.978 175.107 176.300 -0.359 0.000 1.051 563 R CA -0.299 55.731 56.100 -0.116 0.000 1.021 563 R CB 0.579 30.867 30.300 -0.020 0.000 1.032 563 R HN 0.553 nan 8.270 nan 0.000 0.481 564 F N 2.187 122.154 119.950 0.029 0.000 2.443 564 F HA 0.299 4.829 4.527 0.005 0.000 0.369 564 F C -0.303 175.495 175.800 -0.004 0.000 1.090 564 F CA -0.891 57.115 58.000 0.010 0.000 1.129 564 F CB 0.843 39.839 39.000 -0.007 0.000 1.367 564 F HN 0.449 nan 8.300 nan 0.000 0.465 565 N N 2.474 121.225 118.700 0.086 0.000 2.431 565 N HA 0.041 4.784 4.740 0.006 0.000 0.265 565 N C 0.858 176.371 175.510 0.006 0.000 1.184 565 N CA -0.180 52.886 53.050 0.027 0.000 0.943 565 N CB 0.817 39.298 38.487 -0.010 0.000 1.080 565 N HN 0.638 nan 8.380 nan 0.000 0.477 566 Q N 1.395 121.167 119.800 -0.047 0.000 2.424 566 Q HA -0.028 4.316 4.340 0.006 0.000 0.204 566 Q C -0.024 175.741 176.000 -0.391 0.000 0.933 566 Q CA 0.626 56.367 55.803 -0.103 0.000 0.929 566 Q CB 0.475 29.183 28.738 -0.049 0.000 1.037 566 Q HN 0.761 nan 8.270 nan 0.000 0.511 567 T N -3.464 110.790 114.554 -0.501 0.000 3.658 567 T HA 0.659 5.012 4.350 0.006 0.000 0.245 567 T C -0.123 174.278 174.700 -0.498 0.000 1.292 567 T CA -0.099 61.370 62.100 -1.052 0.000 1.598 567 T CB 1.210 69.616 68.868 -0.770 0.000 0.861 567 T HN 0.084 nan 8.240 nan 0.000 0.663 568 A N 0.641 123.304 122.820 -0.263 0.000 2.628 568 A HA 0.601 4.925 4.320 0.006 0.000 0.267 568 A C 0.557 178.180 177.584 0.065 0.000 1.159 568 A CA -0.279 51.728 52.037 -0.050 0.000 0.972 568 A CB 0.645 19.626 19.000 -0.032 0.000 1.211 568 A HN 0.540 nan 8.150 nan 0.000 0.576 569 T N -0.750 113.901 114.554 0.162 0.000 2.893 569 T HA 0.545 4.898 4.350 0.006 0.000 0.291 569 T C 1.029 175.899 174.700 0.283 0.000 1.028 569 T CA 0.255 62.478 62.100 0.204 0.000 0.995 569 T CB 1.792 70.772 68.868 0.186 0.000 1.051 569 T HN 0.350 nan 8.240 nan 0.000 0.470 570 A N 1.053 123.973 122.820 0.166 0.000 2.178 570 A HA 0.096 4.420 4.320 0.006 0.000 0.211 570 A C 2.014 179.647 177.584 0.082 0.000 1.157 570 A CA 1.219 53.328 52.037 0.121 0.000 0.780 570 A CB -0.511 18.540 19.000 0.085 0.000 0.828 570 A HN 0.832 nan 8.150 nan 0.000 0.476 571 T N -5.597 109.017 114.554 0.100 0.000 3.022 571 T HA 0.427 4.780 4.350 0.006 0.000 0.250 571 T C 1.345 176.106 174.700 0.102 0.000 1.060 571 T CA 1.149 63.300 62.100 0.085 0.000 1.013 571 T CB 0.455 69.373 68.868 0.083 0.000 0.982 571 T HN 1.475 nan 8.240 nan 0.000 0.508 572 G N 1.586 110.483 108.800 0.162 0.000 2.184 572 G HA2 -0.172 3.791 3.960 0.006 0.000 0.206 572 G HA3 -0.172 3.791 3.960 0.006 0.000 0.206 572 G C 0.212 175.250 174.900 0.231 0.000 0.995 572 G CA -0.506 44.717 45.100 0.206 0.000 0.651 572 G HN 0.574 nan 8.290 nan 0.000 0.511 573 R N -0.403 120.217 120.500 0.201 0.000 2.707 573 R HA 0.542 4.885 4.340 0.006 0.000 0.270 573 R C 0.348 176.778 176.300 0.216 0.000 1.083 573 R CA -0.436 55.785 56.100 0.202 0.000 1.182 573 R CB 0.589 30.989 30.300 0.168 0.000 1.084 573 R HN 0.150 nan 8.270 nan 0.000 0.528 574 L N 0.191 121.555 121.223 0.235 0.000 2.454 574 L HA 0.250 4.593 4.340 0.006 0.000 0.256 574 L C 0.335 177.342 176.870 0.229 0.000 1.136 574 L CA 0.487 55.448 54.840 0.201 0.000 0.804 574 L CB 1.243 43.423 42.059 0.201 0.000 1.181 574 L HN 0.790 nan 8.230 nan 0.000 0.469 575 S N 0.009 115.814 115.700 0.174 0.000 2.540 575 S HA 0.655 5.128 4.470 0.006 0.000 0.275 575 S C -0.979 173.656 174.600 0.059 0.000 1.123 575 S CA -0.582 57.701 58.200 0.138 0.000 0.907 575 S CB 1.595 64.844 63.200 0.082 0.000 1.081 575 S HN 0.599 nan 8.310 nan 0.000 0.476 576 S N 2.050 117.745 115.700 -0.009 0.000 2.449 576 S HA 0.743 5.216 4.470 0.006 0.000 0.310 576 S C -0.405 174.121 174.600 -0.123 0.000 1.096 576 S CA -0.278 57.793 58.200 -0.216 0.000 1.095 576 S CB 0.979 64.002 63.200 -0.294 0.000 1.007 576 S HN 1.184 nan 8.310 nan 0.000 0.474 577 S N 3.747 119.363 115.700 -0.141 0.000 2.709 577 S HA 0.724 5.198 4.470 0.006 0.000 0.302 577 S C -0.141 174.435 174.600 -0.040 0.000 1.127 577 S CA 0.167 58.331 58.200 -0.059 0.000 0.905 577 S CB 0.797 63.979 63.200 -0.030 0.000 1.151 577 S HN 0.894 nan 8.310 nan 0.000 0.510 578 D N 0.186 120.581 120.400 -0.009 0.000 3.685 578 D HA -0.132 4.511 4.640 0.006 0.000 0.152 578 D C -2.707 173.604 176.300 0.019 0.000 0.966 578 D CA 1.816 55.821 54.000 0.008 0.000 1.085 578 D CB -1.791 39.030 40.800 0.036 0.000 0.521 578 D HN 0.586 nan 8.370 nan 0.000 0.543 579 P HA 0.143 nan 4.420 nan 0.000 0.261 579 P C -0.688 176.629 177.300 0.028 0.000 1.203 579 P CA 0.279 63.424 63.100 0.076 0.000 0.767 579 P CB 0.102 31.885 31.700 0.139 0.000 0.785 580 N N 4.012 122.738 118.700 0.045 0.000 2.439 580 N HA 0.087 4.830 4.740 0.006 0.000 0.243 580 N C 0.336 175.891 175.510 0.075 0.000 1.088 580 N CA -0.040 53.022 53.050 0.020 0.000 0.940 580 N CB -0.131 38.383 38.487 0.046 0.000 1.180 580 N HN 0.301 nan 8.380 nan 0.000 0.505 581 L N 2.323 123.560 121.223 0.024 0.000 2.653 581 L HA 0.161 4.504 4.340 0.006 0.000 0.231 581 L C 1.126 178.058 176.870 0.102 0.000 1.153 581 L CA 0.195 55.086 54.840 0.086 0.000 0.933 581 L CB 0.046 42.164 42.059 0.097 0.000 1.175 581 L HN 0.531 nan 8.230 nan 0.000 0.473 582 Q N 0.728 120.572 119.800 0.074 0.000 2.280 582 Q HA 0.046 4.389 4.340 0.006 0.000 0.201 582 Q C 0.393 176.448 176.000 0.092 0.000 0.890 582 Q CA 0.101 55.954 55.803 0.083 0.000 0.947 582 Q CB 0.281 29.045 28.738 0.043 0.000 1.081 582 Q HN 0.652 nan 8.270 nan 0.000 0.502 583 N N -1.228 117.516 118.700 0.074 0.000 2.547 583 N HA 0.144 4.887 4.740 0.006 0.000 0.285 583 N C -0.583 174.902 175.510 -0.042 0.000 1.600 583 N CA -0.310 52.773 53.050 0.056 0.000 0.872 583 N CB 0.630 39.197 38.487 0.133 0.000 1.412 583 N HN -0.115 nan 8.380 nan 0.000 0.489 584 I N 1.456 121.900 120.570 -0.211 0.000 2.588 584 I HA 0.251 4.425 4.170 0.006 0.000 0.283 584 I C -1.737 174.062 176.117 -0.531 0.000 1.119 584 I CA -2.139 58.879 61.300 -0.470 0.000 1.419 584 I CB -0.295 37.384 38.000 -0.534 0.000 1.394 584 I HN 0.137 nan 8.210 nan 0.000 0.562 585 P HA 0.075 nan 4.420 nan 0.000 0.269 585 P C 0.426 177.526 177.300 -0.333 0.000 1.217 585 P CA 0.189 63.047 63.100 -0.404 0.000 0.783 585 P CB 1.173 32.650 31.700 -0.371 0.000 0.898 586 V N 1.186 120.959 119.914 -0.235 0.000 3.410 586 V HA 0.069 4.192 4.120 0.006 0.000 0.257 586 V C 1.889 177.905 176.094 -0.129 0.000 1.757 586 V CA 0.393 62.565 62.300 -0.213 0.000 1.047 586 V CB -0.222 31.434 31.823 -0.278 0.000 0.915 586 V HN 0.393 nan 8.190 nan 0.000 0.371 587 R N 1.155 121.593 120.500 -0.103 0.000 2.061 587 R HA 0.011 4.355 4.340 0.006 0.000 0.230 587 R C 1.170 177.444 176.300 -0.044 0.000 1.140 587 R CA 1.940 58.003 56.100 -0.063 0.000 0.940 587 R CB -0.187 30.084 30.300 -0.047 0.000 0.839 587 R HN 0.676 nan 8.270 nan 0.000 0.429 588 T N -2.397 112.133 114.554 -0.040 0.000 2.927 588 T HA 0.280 4.633 4.350 0.006 0.000 0.281 588 T C -2.051 172.635 174.700 -0.023 0.000 0.998 588 T CA -1.977 60.109 62.100 -0.024 0.000 1.019 588 T CB 1.730 70.589 68.868 -0.014 0.000 1.061 588 T HN -0.122 nan 8.240 nan 0.000 0.518 589 P HA -0.118 nan 4.420 nan 0.000 0.215 589 P C 1.681 178.981 177.300 -0.000 0.000 1.163 589 P CA 0.609 63.707 63.100 -0.004 0.000 0.894 589 P CB -0.072 31.629 31.700 0.002 0.000 0.791 590 L N -0.677 120.544 121.223 -0.004 0.000 2.131 590 L HA 0.001 4.344 4.340 0.006 0.000 0.210 590 L C 2.191 179.058 176.870 -0.005 0.000 1.092 590 L CA 2.155 56.995 54.840 -0.001 0.000 0.759 590 L CB -1.476 40.579 42.059 -0.006 0.000 0.903 590 L HN -0.059 nan 8.230 nan 0.000 0.435 591 G N -1.388 107.395 108.800 -0.028 0.000 2.402 591 G HA2 -0.264 3.700 3.960 0.006 0.000 0.216 591 G HA3 -0.264 3.700 3.960 0.006 0.000 0.216 591 G C 1.478 176.334 174.900 -0.073 0.000 1.162 591 G CA 0.683 45.739 45.100 -0.073 0.000 0.777 591 G HN 0.508 nan 8.290 nan 0.000 0.539 592 Q N -0.258 119.514 119.800 -0.047 0.000 2.167 592 Q HA 0.004 4.348 4.340 0.006 0.000 0.202 592 Q C 2.801 178.822 176.000 0.034 0.000 0.970 592 Q CA 0.701 56.485 55.803 -0.032 0.000 0.855 592 Q CB -0.073 28.652 28.738 -0.022 0.000 0.911 592 Q HN 0.403 nan 8.270 nan 0.000 0.438 593 R N 0.067 120.608 120.500 0.069 0.000 2.120 593 R HA -0.093 4.250 4.340 0.006 0.000 0.234 593 R C 2.103 178.561 176.300 0.263 0.000 1.123 593 R CA 1.053 57.255 56.100 0.169 0.000 0.975 593 R CB -0.193 30.176 30.300 0.114 0.000 0.866 593 R HN 0.291 nan 8.270 nan 0.000 0.446 594 I N -0.032 120.629 120.570 0.153 0.000 2.286 594 I HA -0.217 3.956 4.170 0.006 0.000 0.245 594 I C 2.635 178.890 176.117 0.230 0.000 1.104 594 I CA 0.946 62.358 61.300 0.187 0.000 1.397 594 I CB -0.158 37.881 38.000 0.064 0.000 1.072 594 I HN 0.072 nan 8.210 nan 0.000 0.417 595 R N 1.083 121.645 120.500 0.103 0.000 2.105 595 R HA -0.127 4.217 4.340 0.006 0.000 0.239 595 R C 2.361 178.806 176.300 0.241 0.000 1.135 595 R CA 1.272 57.431 56.100 0.099 0.000 0.967 595 R CB -0.074 30.137 30.300 -0.148 0.000 0.861 595 R HN 0.237 nan 8.270 nan 0.000 0.442 596 R N -0.305 120.278 120.500 0.139 0.000 2.249 596 R HA -0.093 4.250 4.340 0.006 0.000 0.230 596 R C 2.000 178.264 176.300 -0.061 0.000 1.121 596 R CA 1.016 57.139 56.100 0.038 0.000 0.997 596 R CB -0.253 30.017 30.300 -0.051 0.000 0.867 596 R HN 0.251 nan 8.270 nan 0.000 0.465 597 A N 0.876 123.724 122.820 0.048 0.000 2.067 597 A HA -0.053 4.271 4.320 0.006 0.000 0.219 597 A C 0.485 178.019 177.584 -0.085 0.000 1.158 597 A CA 0.561 52.570 52.037 -0.046 0.000 0.661 597 A CB -0.155 18.934 19.000 0.149 0.000 0.801 597 A HN 0.093 nan 8.150 nan 0.000 0.452 598 F N 1.187 121.197 119.950 0.101 0.000 2.413 598 F HA 0.444 4.975 4.527 0.006 0.000 0.359 598 F C 0.449 176.284 175.800 0.059 0.000 1.122 598 F CA -0.642 57.432 58.000 0.122 0.000 1.160 598 F CB 0.508 39.680 39.000 0.288 0.000 1.146 598 F HN 0.227 nan 8.300 nan 0.000 0.514 599 I N 0.314 120.934 120.570 0.083 0.000 3.067 599 I HA 0.957 5.131 4.170 0.006 0.000 0.312 599 I C -0.614 175.506 176.117 0.006 0.000 1.073 599 I CA -1.307 60.014 61.300 0.035 0.000 1.016 599 I CB 1.818 39.806 38.000 -0.021 0.000 1.227 599 I HN 0.443 nan 8.210 nan 0.000 0.456 600 A N 2.112 124.935 122.820 0.005 0.000 2.282 600 A HA 0.369 4.693 4.320 0.006 0.000 0.319 600 A C 0.020 177.582 177.584 -0.036 0.000 1.121 600 A CA -0.517 51.512 52.037 -0.014 0.000 0.836 600 A CB 0.682 19.718 19.000 0.059 0.000 1.146 600 A HN 0.883 nan 8.150 nan 0.000 0.494 601 E N 0.222 120.336 120.200 -0.142 0.000 2.459 601 E HA -0.019 4.335 4.350 0.006 0.000 0.264 601 E C -0.457 176.156 176.600 0.020 0.000 1.055 601 E CA 0.328 56.619 56.400 -0.181 0.000 0.957 601 E CB 0.301 29.656 29.700 -0.574 0.000 0.952 601 E HN 0.599 nan 8.360 nan 0.000 0.448 602 E N 0.469 120.693 120.200 0.040 0.000 2.351 602 E HA 0.167 4.520 4.350 0.006 0.000 0.266 602 E C 0.526 177.251 176.600 0.209 0.000 1.031 602 E CA 1.017 57.475 56.400 0.096 0.000 0.911 602 E CB 0.599 30.333 29.700 0.057 0.000 0.986 602 E HN 0.762 nan 8.360 nan 0.000 0.446 603 G N 2.457 111.379 108.800 0.202 0.000 2.195 603 G HA2 -0.216 3.747 3.960 0.006 0.000 0.224 603 G HA3 -0.216 3.747 3.960 0.006 0.000 0.224 603 G C -0.551 174.470 174.900 0.201 0.000 0.990 603 G CA -0.471 44.744 45.100 0.192 0.000 0.639 603 G HN 0.431 nan 8.290 nan 0.000 0.514 604 W N -0.269 121.018 121.300 -0.021 0.000 2.804 604 W HA 0.872 5.535 4.660 0.005 0.000 0.352 604 W C 0.292 176.795 176.519 -0.026 0.000 1.153 604 W CA -1.041 56.288 57.345 -0.027 0.000 1.119 604 W CB 0.870 30.311 29.460 -0.031 0.000 1.448 604 W HN 0.059 nan 8.180 nan 0.000 0.600 605 L N 1.629 122.987 121.223 0.225 0.000 2.371 605 L HA 0.433 4.777 4.340 0.006 0.000 0.262 605 L C -1.063 175.871 176.870 0.106 0.000 1.006 605 L CA -1.321 53.588 54.840 0.116 0.000 0.818 605 L CB 1.779 43.867 42.059 0.048 0.000 1.354 605 L HN 0.014 nan 8.230 nan 0.000 0.415 606 L N 2.168 123.426 121.223 0.059 0.000 2.334 606 L HA 0.495 4.839 4.340 0.006 0.000 0.277 606 L C -0.376 176.497 176.870 0.005 0.000 1.075 606 L CA -0.155 54.693 54.840 0.013 0.000 0.804 606 L CB 1.690 43.741 42.059 -0.013 0.000 1.174 606 L HN 0.178 nan 8.230 nan 0.000 0.438 607 V N 3.552 123.453 119.914 -0.022 0.000 2.380 607 V HA 0.685 4.809 4.120 0.006 0.000 0.286 607 V C -0.055 176.016 176.094 -0.039 0.000 1.015 607 V CA -0.860 61.429 62.300 -0.018 0.000 0.834 607 V CB 1.249 33.061 31.823 -0.018 0.000 1.009 607 V HN 0.855 nan 8.190 nan 0.000 0.428 608 A N 6.308 129.125 122.820 -0.005 0.000 2.276 608 A HA 0.940 5.263 4.320 0.006 0.000 0.316 608 A C -0.894 176.702 177.584 0.020 0.000 1.229 608 A CA -0.367 51.682 52.037 0.021 0.000 0.851 608 A CB 0.629 19.711 19.000 0.137 0.000 1.165 608 A HN 0.765 nan 8.150 nan 0.000 0.513 609 L N 2.554 123.774 121.223 -0.005 0.000 2.356 609 L HA 0.547 4.890 4.340 0.006 0.000 0.277 609 L C -1.203 175.644 176.870 -0.040 0.000 0.996 609 L CA -0.310 54.504 54.840 -0.044 0.000 0.822 609 L CB 2.177 44.175 42.059 -0.102 0.000 1.256 609 L HN 0.538 nan 8.230 nan 0.000 0.413 610 D N 1.240 121.623 120.400 -0.028 0.000 2.505 610 D HA 0.413 5.057 4.640 0.006 0.000 0.249 610 D C -0.896 175.414 176.300 0.016 0.000 1.082 610 D CA -0.284 53.732 54.000 0.025 0.000 0.839 610 D CB 1.325 42.170 40.800 0.075 0.000 1.317 610 D HN 0.171 nan 8.370 nan 0.000 0.497 611 Y N 0.601 120.932 120.300 0.052 0.000 2.379 611 Y HA 0.232 4.785 4.550 0.004 0.000 0.337 611 Y C 1.159 177.089 175.900 0.050 0.000 1.238 611 Y CA 0.083 58.207 58.100 0.040 0.000 1.405 611 Y CB 1.021 39.503 38.460 0.037 0.000 1.310 611 Y HN 0.182 nan 8.280 nan 0.000 0.569 612 S N 4.480 120.315 115.700 0.224 0.000 2.422 612 S HA 0.126 4.600 4.470 0.006 0.000 0.298 612 S C -0.349 174.344 174.600 0.155 0.000 1.118 612 S CA -0.841 57.458 58.200 0.165 0.000 1.083 612 S CB -0.097 63.182 63.200 0.132 0.000 0.971 612 S HN 0.756 nan 8.310 nan 0.000 0.478 613 Q N 3.364 123.292 119.800 0.214 0.000 2.402 613 Q HA -0.231 4.112 4.340 0.006 0.000 0.356 613 Q C 0.350 176.416 176.000 0.110 0.000 1.344 613 Q CA 1.027 57.007 55.803 0.296 0.000 1.062 613 Q CB -2.018 26.973 28.738 0.421 0.000 1.268 613 Q HN 0.887 nan 8.270 nan 0.000 0.383 614 I N -0.455 120.156 120.570 0.069 0.000 2.423 614 I HA -0.252 3.921 4.170 0.006 0.000 0.254 614 I C 2.002 178.070 176.117 -0.081 0.000 1.151 614 I CA 1.743 62.994 61.300 -0.080 0.000 1.421 614 I CB 0.099 38.005 38.000 -0.157 0.000 1.079 614 I HN 0.398 nan 8.210 nan 0.000 0.431 615 E N 0.280 120.507 120.200 0.045 0.000 2.112 615 E HA -0.129 4.224 4.350 0.006 0.000 0.190 615 E C 2.242 178.837 176.600 -0.008 0.000 0.979 615 E CA 1.023 57.456 56.400 0.055 0.000 0.814 615 E CB -0.088 29.717 29.700 0.174 0.000 0.762 615 E HN 0.545 nan 8.360 nan 0.000 0.460 616 L N 0.466 121.683 121.223 -0.010 0.000 2.156 616 L HA -0.113 4.230 4.340 0.006 0.000 0.208 616 L C 2.501 179.348 176.870 -0.039 0.000 1.095 616 L CA 0.915 55.708 54.840 -0.077 0.000 0.770 616 L CB -0.252 41.745 42.059 -0.103 0.000 0.914 616 L HN 0.064 nan 8.230 nan 0.000 0.439 617 R N -0.728 119.575 120.500 -0.328 0.000 2.073 617 R HA -0.091 4.253 4.340 0.006 0.000 0.229 617 R C 2.221 178.363 176.300 -0.263 0.000 1.120 617 R CA 0.896 56.625 56.100 -0.618 0.000 0.967 617 R CB -0.344 29.495 30.300 -0.768 0.000 0.862 617 R HN 0.124 nan 8.270 nan 0.000 0.436 618 V N 1.464 121.260 119.914 -0.196 0.000 2.490 618 V HA -0.197 3.927 4.120 0.006 0.000 0.250 618 V C 2.086 178.078 176.094 -0.170 0.000 1.061 618 V CA 1.280 63.500 62.300 -0.134 0.000 1.064 618 V CB -0.339 31.422 31.823 -0.102 0.000 0.670 618 V HN 0.240 nan 8.190 nan 0.000 0.461 619 L N 0.829 121.927 121.223 -0.209 0.000 2.093 619 L HA 0.012 4.356 4.340 0.006 0.000 0.208 619 L C 2.420 179.114 176.870 -0.293 0.000 1.085 619 L CA 2.239 56.875 54.840 -0.339 0.000 0.755 619 L CB -0.867 41.026 42.059 -0.277 0.000 0.904 619 L HN 0.195 nan 8.230 nan 0.000 0.435 620 A N -1.375 121.371 122.820 -0.124 0.000 1.902 620 A HA -0.272 4.051 4.320 0.006 0.000 0.217 620 A C 2.432 179.981 177.584 -0.058 0.000 1.181 620 A CA 1.751 53.761 52.037 -0.044 0.000 0.623 620 A CB -1.103 18.000 19.000 0.171 0.000 0.818 620 A HN 0.713 nan 8.150 nan 0.000 0.443 621 H N -0.956 118.025 119.070 -0.148 0.000 2.326 621 H HA -0.077 4.482 4.556 0.005 0.000 0.301 621 H C 1.978 177.199 175.328 -0.179 0.000 1.081 621 H CA 1.737 57.705 56.048 -0.134 0.000 1.334 621 H CB -0.045 29.644 29.762 -0.122 0.000 1.385 621 H HN 0.310 nan 8.280 nan 0.000 0.504 622 L N 0.584 121.654 121.223 -0.255 0.000 2.046 622 L HA -0.144 4.200 4.340 0.006 0.000 0.208 622 L C 2.768 179.327 176.870 -0.520 0.000 1.077 622 L CA 1.408 55.990 54.840 -0.431 0.000 0.747 622 L CB -0.830 40.813 42.059 -0.695 0.000 0.896 622 L HN 0.167 nan 8.230 nan 0.000 0.432 623 S N -0.965 114.418 115.700 -0.528 0.000 2.371 623 S HA 0.065 4.539 4.470 0.006 0.000 0.224 623 S C 1.526 176.056 174.600 -0.118 0.000 1.029 623 S CA 0.976 59.005 58.200 -0.285 0.000 0.978 623 S CB -0.358 62.708 63.200 -0.224 0.000 0.833 623 S HN 0.647 nan 8.310 nan 0.000 0.466 624 G N 1.768 110.483 108.800 -0.141 0.000 2.143 624 G HA2 -0.280 3.684 3.960 0.006 0.000 0.249 624 G HA3 -0.280 3.684 3.960 0.006 0.000 0.249 624 G C -0.171 174.709 174.900 -0.034 0.000 0.981 624 G CA 0.298 45.342 45.100 -0.094 0.000 0.665 624 G HN 0.573 nan 8.290 nan 0.000 0.528 625 D N 0.363 120.749 120.400 -0.023 0.000 2.346 625 D HA 0.439 5.082 4.640 0.006 0.000 0.267 625 D C 1.640 177.969 176.300 0.048 0.000 1.320 625 D CA 0.210 54.229 54.000 0.031 0.000 0.951 625 D CB 0.360 41.192 40.800 0.052 0.000 1.079 625 D HN 0.426 nan 8.370 nan 0.000 0.509 626 E N 2.262 122.488 120.200 0.043 0.000 2.086 626 E HA -0.312 4.041 4.350 0.006 0.000 0.205 626 E C 1.472 178.108 176.600 0.061 0.000 1.027 626 E CA 1.480 57.904 56.400 0.040 0.000 0.830 626 E CB -0.220 29.495 29.700 0.025 0.000 0.751 626 E HN 0.589 nan 8.360 nan 0.000 0.456 627 N N -0.462 118.296 118.700 0.096 0.000 2.061 627 N HA -0.185 4.558 4.740 0.006 0.000 0.193 627 N C 1.651 177.272 175.510 0.185 0.000 1.030 627 N CA 0.874 54.005 53.050 0.134 0.000 0.856 627 N CB -0.083 38.486 38.487 0.137 0.000 1.023 627 N HN 0.031 nan 8.380 nan 0.000 0.424 628 L N 1.955 123.283 121.223 0.176 0.000 2.044 628 L HA 0.001 4.344 4.340 0.006 0.000 0.205 628 L C 2.015 178.853 176.870 -0.053 0.000 1.075 628 L CA 1.181 55.962 54.840 -0.098 0.000 0.747 628 L CB -0.741 41.119 42.059 -0.331 0.000 0.903 628 L HN 0.249 nan 8.230 nan 0.000 0.435 629 I N -2.921 117.679 120.570 0.051 0.000 2.850 629 I HA -0.145 4.028 4.170 0.006 0.000 0.266 629 I C 2.449 178.626 176.117 0.100 0.000 1.257 629 I CA 1.187 62.560 61.300 0.122 0.000 1.465 629 I CB -0.797 37.250 38.000 0.078 0.000 1.091 629 I HN 0.172 nan 8.210 nan 0.000 0.467 630 R N 1.432 121.960 120.500 0.046 0.000 2.112 630 R HA 0.127 4.470 4.340 0.006 0.000 0.216 630 R C 2.331 178.632 176.300 0.001 0.000 1.080 630 R CA 1.351 57.470 56.100 0.032 0.000 0.996 630 R CB -1.676 28.638 30.300 0.024 0.000 0.902 630 R HN 0.450 nan 8.270 nan 0.000 0.449 631 V N -0.233 119.634 119.914 -0.078 0.000 2.594 631 V HA -0.084 4.039 4.120 0.006 0.000 0.253 631 V C 1.987 177.984 176.094 -0.161 0.000 1.069 631 V CA 1.869 64.072 62.300 -0.162 0.000 1.082 631 V CB -0.654 30.998 31.823 -0.285 0.000 0.680 631 V HN 0.459 nan 8.190 nan 0.000 0.469 632 F N 0.352 120.296 119.950 -0.011 0.000 2.179 632 F HA 0.218 4.750 4.527 0.009 0.000 0.292 632 F C 1.908 177.709 175.800 0.000 0.000 1.089 632 F CA 0.400 58.393 58.000 -0.012 0.000 1.295 632 F CB -0.798 38.185 39.000 -0.028 0.000 1.041 632 F HN 0.189 nan 8.300 nan 0.000 0.487 633 Q N 0.241 120.157 119.800 0.193 0.000 0.000 633 Q HA 0.398 4.741 4.340 0.006 0.000 0.000 633 Q C 0.298 176.343 176.000 0.076 0.000 0.000 633 Q CA 0.961 56.830 55.803 0.110 0.000 0.000 633 Q CB 0.250 29.035 28.738 0.079 0.000 0.000 633 Q HN 0.373 nan 8.270 nan 0.000 0.000 634 E N -2.014 nan 120.200 nan 0.000 0.000 634 E HA 0.442 4.796 4.350 0.006 0.000 0.000 634 E C -0.008 176.618 176.600 0.043 0.000 0.000 634 E CA -0.213 56.209 56.400 0.037 0.000 0.000 634 E CB -0.133 29.578 29.700 0.018 0.000 0.000 634 E HN 1.115 nan 8.360 nan 0.000 0.000 635 G N -1.841 106.998 108.800 0.064 0.000 2.212 635 G HA2 0.342 4.305 3.960 0.006 0.000 0.255 635 G HA3 0.342 4.305 3.960 0.006 0.000 0.255 635 G C 0.463 175.390 174.900 0.046 0.000 1.062 635 G CA 1.274 46.419 45.100 0.075 0.000 0.815 635 G HN 1.799 nan 8.290 nan 0.000 0.497 636 R N -0.589 119.918 120.500 0.012 0.000 2.457 636 R HA 0.784 5.127 4.340 0.006 0.000 0.284 636 R C 0.491 176.781 176.300 -0.017 0.000 1.024 636 R CA 0.886 56.982 56.100 -0.006 0.000 1.025 636 R CB -0.156 30.130 30.300 -0.023 0.000 1.063 636 R HN 1.713 nan 8.270 nan 0.000 0.493 637 D N 1.090 121.490 120.400 -0.000 0.000 2.433 637 D HA 0.398 5.041 4.640 0.006 0.000 0.274 637 D C 1.878 178.158 176.300 -0.033 0.000 1.344 637 D CA 0.613 54.617 54.000 0.007 0.000 0.989 637 D CB -0.793 40.018 40.800 0.019 0.000 1.116 637 D HN 1.438 nan 8.370 nan 0.000 0.533 638 I N 0.435 120.960 120.570 -0.074 0.000 2.181 638 I HA -0.244 3.930 4.170 0.006 0.000 0.240 638 I C 2.634 178.694 176.117 -0.094 0.000 1.006 638 I CA 4.234 65.427 61.300 -0.177 0.000 1.284 638 I CB -2.072 35.815 38.000 -0.189 0.000 0.990 638 I HN 1.101 nan 8.210 nan 0.000 0.408 639 H N -0.895 118.157 119.070 -0.029 0.000 2.256 639 H HA -0.015 4.545 4.556 0.006 0.000 0.299 639 H C 2.835 178.167 175.328 0.005 0.000 1.071 639 H CA 4.120 60.171 56.048 0.005 0.000 1.280 639 H CB -1.480 28.307 29.762 0.041 0.000 1.370 639 H HN 1.095 nan 8.280 nan 0.000 0.490 640 T N 0.020 114.579 114.554 0.008 0.000 2.597 640 T HA -0.104 4.249 4.350 0.006 0.000 0.267 640 T C 2.321 177.019 174.700 -0.004 0.000 1.053 640 T CA 4.127 66.231 62.100 0.006 0.000 1.165 640 T CB -1.282 67.591 68.868 0.008 0.000 0.863 640 T HN 0.898 nan 8.240 nan 0.000 0.427 641 E N 0.823 121.014 120.200 -0.015 0.000 2.077 641 E HA 0.032 4.386 4.350 0.006 0.000 0.193 641 E C 2.523 179.118 176.600 -0.008 0.000 0.989 641 E CA 2.661 59.049 56.400 -0.020 0.000 0.800 641 E CB -2.018 27.658 29.700 -0.040 0.000 0.746 641 E HN 0.889 nan 8.360 nan 0.000 0.452 642 T N 0.649 115.209 114.554 0.010 0.000 2.607 642 T HA 0.082 4.436 4.350 0.006 0.000 0.267 642 T C 2.534 177.239 174.700 0.008 0.000 1.049 642 T CA 3.429 65.566 62.100 0.060 0.000 1.162 642 T CB -0.798 68.126 68.868 0.092 0.000 0.863 642 T HN 0.889 nan 8.240 nan 0.000 0.424 643 A N 1.376 124.200 122.820 0.006 0.000 1.903 643 A HA 0.281 4.604 4.320 0.006 0.000 0.219 643 A C 2.181 179.752 177.584 -0.022 0.000 1.191 643 A CA 2.413 54.448 52.037 -0.004 0.000 0.638 643 A CB -1.461 17.540 19.000 0.003 0.000 0.823 643 A HN 1.102 nan 8.150 nan 0.000 0.451 656 P HA -0.237 nan 4.420 nan 0.000 0.233 656 P C 2.204 179.517 177.300 0.021 0.000 0.738 656 P CA 4.635 67.746 63.100 0.019 0.000 1.103 656 P CB -1.603 30.107 31.700 0.017 0.000 0.675 657 L N -2.716 118.519 121.223 0.019 0.000 2.103 657 L HA 0.030 4.374 4.340 0.006 0.000 0.215 657 L C 3.390 180.274 176.870 0.023 0.000 1.080 657 L CA 5.478 60.330 54.840 0.021 0.000 0.764 657 L CB -2.384 39.685 42.059 0.018 0.000 0.890 657 L HN 0.813 nan 8.230 nan 0.000 0.435 658 M N -0.466 119.147 119.600 0.020 0.000 2.254 658 M HA 0.186 4.669 4.480 0.006 0.000 0.265 658 M C 2.778 179.094 176.300 0.027 0.000 1.066 658 M CA 2.809 58.121 55.300 0.021 0.000 1.123 658 M CB -2.074 30.535 32.600 0.015 0.000 1.388 658 M HN 0.899 nan 8.290 nan 0.000 0.425 659 R N 0.944 121.460 120.500 0.027 0.000 2.193 659 R HA 0.078 4.421 4.340 0.006 0.000 0.229 659 R C 2.250 178.577 176.300 0.045 0.000 1.110 659 R CA 2.292 58.412 56.100 0.033 0.000 0.988 659 R CB -2.048 28.271 30.300 0.032 0.000 0.871 659 R HN 0.974 nan 8.270 nan 0.000 0.458 660 R N -0.239 120.286 120.500 0.043 0.000 2.310 660 R HA 0.593 4.936 4.340 0.006 0.000 0.202 660 R C 2.130 178.462 176.300 0.053 0.000 0.933 660 R CA 1.199 57.329 56.100 0.050 0.000 1.054 660 R CB -0.631 29.694 30.300 0.042 0.000 0.985 660 R HN 0.739 nan 8.270 nan 0.000 0.489 661 A N -1.138 121.710 122.820 0.047 0.000 2.259 661 A HA 0.629 4.953 4.320 0.006 0.000 0.213 661 A C 2.170 179.784 177.584 0.050 0.000 1.209 661 A CA 0.791 52.856 52.037 0.047 0.000 0.910 661 A CB 0.260 19.282 19.000 0.036 0.000 0.946 661 A HN 0.707 nan 8.150 nan 0.000 0.497 662 A N -0.598 122.251 122.820 0.048 0.000 2.267 662 A HA 0.442 4.766 4.320 0.006 0.000 0.213 662 A C 1.940 179.556 177.584 0.052 0.000 1.192 662 A CA 1.366 53.431 52.037 0.047 0.000 0.851 662 A CB -0.304 18.718 19.000 0.036 0.000 0.881 662 A HN 0.475 nan 8.150 nan 0.000 0.494 663 K N -1.303 119.141 120.400 0.073 0.000 2.308 663 K HA 0.336 4.659 4.320 0.006 0.000 0.197 663 K C 2.017 178.719 176.600 0.170 0.000 1.049 663 K CA 1.530 57.883 56.287 0.109 0.000 0.991 663 K CB -1.553 31.036 32.500 0.149 0.000 0.836 663 K HN 0.520 nan 8.250 nan 0.000 0.500 664 T N 0.280 114.915 114.554 0.136 0.000 2.896 664 T HA 0.286 4.640 4.350 0.006 0.000 0.263 664 T C 2.349 177.119 174.700 0.117 0.000 1.050 664 T CA 2.339 64.523 62.100 0.141 0.000 1.140 664 T CB -0.621 68.309 68.868 0.103 0.000 0.877 664 T HN 0.625 nan 8.240 nan 0.000 0.457 665 I N 1.813 122.433 120.570 0.083 0.000 2.761 665 I HA 0.236 4.409 4.170 0.006 0.000 0.261 665 I C 2.520 178.661 176.117 0.040 0.000 1.198 665 I CA 1.826 63.166 61.300 0.066 0.000 1.482 665 I CB -2.198 35.840 38.000 0.063 0.000 1.100 665 I HN 0.743 nan 8.210 nan 0.000 0.445 666 N N -0.805 117.899 118.700 0.006 0.000 2.290 666 N HA -0.047 4.697 4.740 0.006 0.000 0.179 666 N C 1.887 177.286 175.510 -0.186 0.000 1.016 666 N CA 1.215 54.190 53.050 -0.126 0.000 0.871 666 N CB -0.665 37.692 38.487 -0.216 0.000 0.987 666 N HN 0.660 nan 8.380 nan 0.000 0.431 667 F N 0.237 120.158 119.950 -0.048 0.000 2.619 667 F HA 0.249 4.779 4.527 0.004 0.000 0.293 667 F C 2.663 178.353 175.800 -0.183 0.000 1.119 667 F CA 0.321 58.267 58.000 -0.091 0.000 1.445 667 F CB 0.495 39.468 39.000 -0.045 0.000 1.119 667 F HN 0.345 nan 8.300 nan 0.000 0.573 668 G N -0.174 108.674 108.800 0.080 0.000 2.679 668 G HA2 -0.094 3.870 3.960 0.006 0.000 0.212 668 G HA3 -0.094 3.870 3.960 0.006 0.000 0.212 668 G C 1.420 176.310 174.900 -0.016 0.000 1.137 668 G CA 0.900 46.007 45.100 0.011 0.000 0.787 668 G HN 0.354 nan 8.290 nan 0.000 0.534 669 V N 0.131 120.039 119.914 -0.010 0.000 3.623 669 V HA 0.470 4.593 4.120 0.006 0.000 0.271 669 V C 2.708 178.874 176.094 0.119 0.000 1.248 669 V CA 1.561 63.890 62.300 0.049 0.000 1.156 669 V CB -0.404 31.424 31.823 0.010 0.000 0.870 669 V HN 0.392 nan 8.190 nan 0.000 0.453 670 L N -2.032 119.134 121.223 -0.095 0.000 2.395 670 L HA 0.113 4.457 4.340 0.006 0.000 0.218 670 L C 2.024 178.901 176.870 0.011 0.000 1.130 670 L CA 2.023 56.801 54.840 -0.103 0.000 0.826 670 L CB -1.399 40.439 42.059 -0.370 0.000 0.941 670 L HN 0.754 nan 8.230 nan 0.000 0.451 671 Y N -1.356 119.107 120.300 0.271 0.000 2.666 671 Y HA 0.552 5.106 4.550 0.007 0.000 0.260 671 Y C 1.466 177.538 175.900 0.286 0.000 1.089 671 Y CA -1.150 57.032 58.100 0.138 0.000 1.246 671 Y CB -0.566 37.934 38.460 0.067 0.000 1.353 671 Y HN 0.272 nan 8.280 nan 0.000 0.558 672 G N 2.192 111.258 108.800 0.444 0.000 2.381 672 G HA2 -0.328 3.635 3.960 0.006 0.000 0.281 672 G HA3 -0.328 3.635 3.960 0.006 0.000 0.281 672 G C -0.018 175.034 174.900 0.253 0.000 0.984 672 G CA 0.120 45.433 45.100 0.355 0.000 1.339 672 G HN 0.354 nan 8.290 nan 0.000 0.485 673 M N 1.125 120.846 119.600 0.200 0.000 2.239 673 M HA 0.485 4.969 4.480 0.006 0.000 0.348 673 M C 1.240 177.615 176.300 0.125 0.000 1.239 673 M CA 0.651 56.053 55.300 0.170 0.000 1.114 673 M CB 0.330 33.023 32.600 0.155 0.000 1.641 673 M HN 0.885 nan 8.290 nan 0.000 0.453 674 S N 2.986 118.751 115.700 0.108 0.000 2.584 674 S HA 0.438 4.911 4.470 0.006 0.000 0.270 674 S C 1.095 175.735 174.600 0.068 0.000 1.346 674 S CA -0.013 58.236 58.200 0.082 0.000 1.018 674 S CB 0.445 63.687 63.200 0.070 0.000 0.899 674 S HN 0.875 nan 8.310 nan 0.000 0.542 675 A N 1.198 124.052 122.820 0.055 0.000 1.972 675 A HA 0.146 4.470 4.320 0.006 0.000 0.219 675 A C 2.158 179.768 177.584 0.043 0.000 1.169 675 A CA 2.542 54.606 52.037 0.046 0.000 0.635 675 A CB -1.708 17.315 19.000 0.037 0.000 0.810 675 A HN 1.474 nan 8.150 nan 0.000 0.446 676 H N -2.090 117.005 119.070 0.042 0.000 2.428 676 H HA 0.125 4.684 4.556 0.006 0.000 0.296 676 H C 2.367 177.721 175.328 0.043 0.000 1.062 676 H CA 2.540 58.611 56.048 0.037 0.000 1.350 676 H CB -0.654 29.128 29.762 0.033 0.000 1.403 676 H HN 0.732 nan 8.280 nan 0.000 0.533 677 R N 0.234 120.766 120.500 0.052 0.000 2.115 677 R HA 0.288 4.631 4.340 0.006 0.000 0.226 677 R C 2.835 179.172 176.300 0.062 0.000 1.100 677 R CA 1.836 57.972 56.100 0.060 0.000 0.980 677 R CB -1.530 28.816 30.300 0.076 0.000 0.875 677 R HN 1.012 nan 8.270 nan 0.000 0.445 678 L N -0.385 120.874 121.223 0.060 0.000 2.162 678 L HA 0.392 4.736 4.340 0.006 0.000 0.205 678 L C 3.023 179.921 176.870 0.047 0.000 1.086 678 L CA 2.348 57.223 54.840 0.058 0.000 0.778 678 L CB -1.678 40.416 42.059 0.058 0.000 0.928 678 L HN 0.690 nan 8.230 nan 0.000 0.446 679 S N -0.260 115.465 115.700 0.041 0.000 2.365 679 S HA -0.199 4.275 4.470 0.006 0.000 0.225 679 S C 2.217 176.838 174.600 0.035 0.000 1.039 679 S CA 2.769 60.990 58.200 0.034 0.000 1.033 679 S CB -0.639 62.579 63.200 0.030 0.000 0.887 679 S HN 1.148 nan 8.310 nan 0.000 0.447 680 Q N -0.640 119.182 119.800 0.037 0.000 2.451 680 Q HA 0.390 4.733 4.340 0.006 0.000 0.206 680 Q C 1.837 177.861 176.000 0.041 0.000 0.947 680 Q CA 1.461 57.286 55.803 0.037 0.000 0.937 680 Q CB -1.360 27.399 28.738 0.036 0.000 1.025 680 Q HN 0.975 nan 8.270 nan 0.000 0.511 681 E N -0.744 119.484 120.200 0.046 0.000 2.140 681 E HA 0.504 4.858 4.350 0.006 0.000 0.191 681 E C 1.518 178.145 176.600 0.046 0.000 0.973 681 E CA 1.352 57.783 56.400 0.051 0.000 0.829 681 E CB -0.501 29.235 29.700 0.061 0.000 0.781 681 E HN 1.098 nan 8.360 nan 0.000 0.466 682 L N -1.102 120.146 121.223 0.042 0.000 2.798 682 L HA 0.957 5.300 4.340 0.006 0.000 0.230 682 L C 2.181 179.070 176.870 0.032 0.000 1.868 682 L CA 0.386 55.248 54.840 0.037 0.000 2.126 682 L CB 0.203 42.284 42.059 0.037 0.000 2.569 682 L HN 0.546 nan 8.230 nan 0.000 0.592 683 A N -0.699 122.138 122.820 0.028 0.000 1.963 683 A HA 0.642 4.966 4.320 0.006 0.000 0.211 683 A C 1.454 179.052 177.584 0.023 0.000 1.380 683 A CA 1.083 53.135 52.037 0.024 0.000 0.690 683 A CB -0.876 18.137 19.000 0.022 0.000 1.060 683 A HN 2.404 nan 8.150 nan 0.000 0.498 684 I N 0.892 121.475 120.570 0.021 0.000 2.828 684 I HA 0.480 4.654 4.170 0.006 0.000 0.292 684 I C -0.494 175.635 176.117 0.021 0.000 1.206 684 I CA -0.642 60.669 61.300 0.019 0.000 1.420 684 I CB -1.433 36.577 38.000 0.017 0.000 1.368 684 I HN 0.535 nan 8.210 nan 0.000 0.556 685 P HA 0.296 nan 4.420 nan 0.000 0.281 685 P C 1.222 178.535 177.300 0.021 0.000 1.274 685 P CA 2.174 65.286 63.100 0.020 0.000 0.794 685 P CB 0.057 31.768 31.700 0.018 0.000 1.201 686 Y N -1.918 118.395 120.300 0.021 0.000 2.736 686 Y HA 0.183 4.737 4.550 0.006 0.000 0.298 686 Y C 2.516 178.427 175.900 0.018 0.000 1.156 686 Y CA 2.188 60.301 58.100 0.022 0.000 1.384 686 Y CB -1.951 36.522 38.460 0.022 0.000 0.976 686 Y HN 0.713 nan 8.280 nan 0.000 0.556 687 E N -0.012 120.198 120.200 0.015 0.000 2.030 687 E HA 0.035 4.388 4.350 0.006 0.000 0.189 687 E C 1.877 178.484 176.600 0.012 0.000 0.974 687 E CA 1.565 57.973 56.400 0.012 0.000 0.807 687 E CB -0.997 28.709 29.700 0.011 0.000 0.771 687 E HN 0.923 nan 8.360 nan 0.000 0.451 688 E N 0.041 120.248 120.200 0.013 0.000 2.385 688 E HA 0.533 4.887 4.350 0.006 0.000 0.194 688 E C 2.275 178.884 176.600 0.015 0.000 1.013 688 E CA 1.150 57.557 56.400 0.012 0.000 0.866 688 E CB -0.440 29.266 29.700 0.011 0.000 0.832 688 E HN 0.714 nan 8.360 nan 0.000 0.500 689 A N 0.597 123.429 122.820 0.019 0.000 1.835 689 A HA -0.000 4.323 4.320 0.006 0.000 0.215 689 A C 2.781 180.380 177.584 0.024 0.000 1.199 689 A CA 3.110 55.162 52.037 0.025 0.000 0.615 689 A CB -1.169 17.849 19.000 0.030 0.000 0.838 689 A HN 0.781 nan 8.150 nan 0.000 0.444 690 Q N -0.963 118.850 119.800 0.022 0.000 2.217 690 Q HA -0.048 4.295 4.340 0.006 0.000 0.209 690 Q C 2.342 178.350 176.000 0.014 0.000 0.988 690 Q CA 2.986 58.801 55.803 0.020 0.000 0.878 690 Q CB -1.314 27.434 28.738 0.017 0.000 0.909 690 Q HN 1.184 nan 8.270 nan 0.000 0.424 691 A N -0.511 122.316 122.820 0.011 0.000 1.874 691 A HA 0.352 4.675 4.320 0.006 0.000 0.214 691 A C 2.077 179.664 177.584 0.005 0.000 1.189 691 A CA 1.307 53.347 52.037 0.005 0.000 0.615 691 A CB -0.650 18.351 19.000 0.002 0.000 0.830 691 A HN 1.365 nan 8.150 nan 0.000 0.443 692 F N -0.313 119.644 119.950 0.011 0.000 2.706 692 F HA 0.445 4.976 4.527 0.006 0.000 0.315 692 F C 1.254 177.066 175.800 0.021 0.000 1.286 692 F CA 1.007 59.015 58.000 0.014 0.000 1.424 692 F CB -1.413 37.598 39.000 0.019 0.000 1.262 692 F HN 0.773 nan 8.300 nan 0.000 0.547 693 I N -2.777 117.803 120.570 0.017 0.000 5.275 693 I HA 0.339 4.512 4.170 0.006 0.000 0.387 693 I C 1.444 177.569 176.117 0.014 0.000 1.037 693 I CA 1.141 62.457 61.300 0.026 0.000 1.615 693 I CB -1.050 36.970 38.000 0.034 0.000 2.342 693 I HN 0.398 nan 8.210 nan 0.000 0.760 694 E N 1.408 121.610 120.200 0.003 0.000 2.204 694 E HA -0.083 4.270 4.350 0.006 0.000 0.195 694 E C 2.257 178.843 176.600 -0.024 0.000 0.990 694 E CA 2.532 58.928 56.400 -0.007 0.000 0.821 694 E CB -0.926 28.768 29.700 -0.009 0.000 0.750 694 E HN 1.460 nan 8.360 nan 0.000 0.477 695 R N -1.323 119.157 120.500 -0.034 0.000 2.210 695 R HA 0.256 4.599 4.340 0.006 0.000 0.203 695 R C 2.583 178.822 176.300 -0.103 0.000 1.010 695 R CA 1.686 57.742 56.100 -0.073 0.000 1.008 695 R CB -1.841 28.414 30.300 -0.075 0.000 0.923 695 R HN 0.933 nan 8.270 nan 0.000 0.469 696 Y N -1.310 118.972 120.300 -0.030 0.000 2.049 696 Y HA 0.065 4.619 4.550 0.006 0.000 0.277 696 Y C 2.908 178.844 175.900 0.059 0.000 1.143 696 Y CA 2.254 60.385 58.100 0.050 0.000 1.115 696 Y CB -1.387 37.144 38.460 0.119 0.000 0.975 696 Y HN 0.635 nan 8.280 nan 0.000 0.487 697 F N 0.359 120.338 119.950 0.049 0.000 2.451 697 F HA 0.197 4.728 4.527 0.006 0.000 0.299 697 F C 2.378 178.172 175.800 -0.009 0.000 1.101 697 F CA 2.531 60.559 58.000 0.046 0.000 1.436 697 F CB -1.641 37.374 39.000 0.025 0.000 1.074 697 F HN 0.640 nan 8.300 nan 0.000 0.553 698 Q N -0.313 119.452 119.800 -0.059 0.000 2.269 698 Q HA 0.193 4.536 4.340 0.006 0.000 0.201 698 Q C 2.283 178.187 176.000 -0.160 0.000 0.946 698 Q CA 1.723 57.474 55.803 -0.087 0.000 0.877 698 Q CB -1.219 27.472 28.738 -0.079 0.000 0.963 698 Q HN 0.917 nan 8.270 nan 0.000 0.472 699 S N -0.918 114.604 115.700 -0.296 0.000 2.456 699 S HA 0.425 4.899 4.470 0.006 0.000 0.224 699 S C 0.784 175.023 174.600 -0.602 0.000 1.035 699 S CA 0.273 58.144 58.200 -0.548 0.000 0.940 699 S CB 0.228 62.899 63.200 -0.882 0.000 0.799 699 S HN 0.473 nan 8.310 nan 0.000 0.508 700 F N 2.152 122.076 119.950 -0.043 0.000 2.438 700 F HA 0.304 4.832 4.527 0.002 0.000 0.315 700 F C -1.723 174.060 175.800 -0.029 0.000 1.258 700 F CA -1.972 56.002 58.000 -0.043 0.000 1.180 700 F CB 1.468 40.434 39.000 -0.056 0.000 1.412 700 F HN 0.044 nan 8.300 nan 0.000 0.544 701 P HA -0.230 nan 4.420 nan 0.000 0.215 701 P C 1.355 178.698 177.300 0.071 0.000 1.157 701 P CA 1.548 64.680 63.100 0.054 0.000 0.868 701 P CB 0.321 32.032 31.700 0.018 0.000 0.788 702 K N -0.334 120.116 120.400 0.083 0.000 2.147 702 K HA -0.044 4.280 4.320 0.006 0.000 0.205 702 K C 2.175 178.848 176.600 0.122 0.000 1.049 702 K CA 0.777 57.115 56.287 0.085 0.000 0.936 702 K CB -0.898 31.640 32.500 0.063 0.000 0.722 702 K HN 0.097 nan 8.250 nan 0.000 0.446 703 V N 1.632 121.612 119.914 0.111 0.000 2.223 703 V HA -0.257 3.867 4.120 0.006 0.000 0.244 703 V C 2.634 178.818 176.094 0.150 0.000 1.045 703 V CA 1.999 64.363 62.300 0.107 0.000 1.000 703 V CB -0.523 31.326 31.823 0.043 0.000 0.635 703 V HN 0.369 nan 8.190 nan 0.000 0.445 704 R N 0.343 120.893 120.500 0.085 0.000 2.127 704 R HA -0.182 4.161 4.340 0.006 0.000 0.238 704 R C 2.147 178.459 176.300 0.020 0.000 1.134 704 R CA 1.760 57.875 56.100 0.025 0.000 0.975 704 R CB -0.420 29.888 30.300 0.014 0.000 0.865 704 R HN 0.488 nan 8.270 nan 0.000 0.447 705 A N 0.628 123.483 122.820 0.058 0.000 1.855 705 A HA -0.204 4.120 4.320 0.006 0.000 0.215 705 A C 1.926 179.540 177.584 0.051 0.000 1.191 705 A CA 1.232 53.293 52.037 0.040 0.000 0.613 705 A CB -1.212 17.820 19.000 0.055 0.000 0.829 705 A HN 0.724 nan 8.150 nan 0.000 0.442 706 W N 0.922 122.186 121.300 -0.059 0.000 2.317 706 W HA -0.227 4.438 4.660 0.008 0.000 0.318 706 W C 1.796 178.272 176.519 -0.072 0.000 1.227 706 W CA 2.175 59.485 57.345 -0.058 0.000 1.269 706 W CB -0.318 29.111 29.460 -0.052 0.000 1.155 706 W HN 0.302 nan 8.180 nan 0.000 0.484 707 I N 0.629 121.178 120.570 -0.035 0.000 2.248 707 I HA -0.340 3.833 4.170 0.006 0.000 0.248 707 I C 2.226 178.108 176.117 -0.391 0.000 1.107 707 I CA 2.016 63.087 61.300 -0.381 0.000 1.373 707 I CB -0.751 37.035 38.000 -0.357 0.000 1.055 707 I HN 0.171 nan 8.210 nan 0.000 0.418 708 E N 0.949 121.005 120.200 -0.239 0.000 2.047 708 E HA -0.222 4.132 4.350 0.006 0.000 0.191 708 E C 2.572 179.044 176.600 -0.214 0.000 0.987 708 E CA 1.712 58.002 56.400 -0.184 0.000 0.799 708 E CB -0.171 29.462 29.700 -0.111 0.000 0.752 708 E HN 0.501 nan 8.360 nan 0.000 0.449 709 K N 0.927 121.180 120.400 -0.245 0.000 2.032 709 K HA -0.187 4.136 4.320 0.006 0.000 0.209 709 K C 2.232 178.641 176.600 -0.318 0.000 1.048 709 K CA 2.106 58.249 56.287 -0.239 0.000 0.927 709 K CB -1.896 30.485 32.500 -0.199 0.000 0.712 709 K HN 0.377 nan 8.250 nan 0.000 0.441 710 T N -0.038 114.192 114.554 -0.541 0.000 2.684 710 T HA -0.145 4.208 4.350 0.006 0.000 0.267 710 T C 2.016 176.534 174.700 -0.303 0.000 1.036 710 T CA 1.389 63.180 62.100 -0.514 0.000 1.148 710 T CB -0.340 68.002 68.868 -0.877 0.000 0.863 710 T HN 0.137 nan 8.240 nan 0.000 0.436 711 L N 1.704 122.774 121.223 -0.255 0.000 1.989 711 L HA -0.019 4.324 4.340 0.006 0.000 0.211 711 L C 2.904 179.702 176.870 -0.121 0.000 1.071 711 L CA 1.762 56.523 54.840 -0.132 0.000 0.749 711 L CB -1.100 40.910 42.059 -0.081 0.000 0.890 711 L HN 0.347 nan 8.230 nan 0.000 0.431 712 E N 0.152 120.273 120.200 -0.131 0.000 2.038 712 E HA -0.273 4.081 4.350 0.006 0.000 0.195 712 E C 2.104 178.630 176.600 -0.124 0.000 1.000 712 E CA 1.920 58.255 56.400 -0.107 0.000 0.803 712 E CB 0.170 29.810 29.700 -0.101 0.000 0.750 712 E HN 0.576 nan 8.360 nan 0.000 0.448 713 E N 0.340 120.445 120.200 -0.157 0.000 2.118 713 E HA -0.148 4.206 4.350 0.006 0.000 0.195 713 E C 2.157 178.626 176.600 -0.218 0.000 0.992 713 E CA 1.596 57.885 56.400 -0.184 0.000 0.804 713 E CB -1.455 28.124 29.700 -0.202 0.000 0.741 713 E HN 0.523 nan 8.360 nan 0.000 0.458 714 G N 0.297 108.983 108.800 -0.191 0.000 2.418 714 G HA2 -0.253 3.711 3.960 0.006 0.000 0.217 714 G HA3 -0.253 3.711 3.960 0.006 0.000 0.217 714 G C 1.997 176.825 174.900 -0.120 0.000 1.158 714 G CA 0.855 45.852 45.100 -0.172 0.000 0.771 714 G HN 0.498 nan 8.290 nan 0.000 0.545 715 R N 0.141 120.589 120.500 -0.088 0.000 2.081 715 R HA 0.004 4.347 4.340 0.006 0.000 0.235 715 R C 3.141 179.408 176.300 -0.056 0.000 1.131 715 R CA 1.591 57.659 56.100 -0.053 0.000 0.960 715 R CB -0.324 29.950 30.300 -0.043 0.000 0.856 715 R HN 0.389 nan 8.270 nan 0.000 0.436 716 R N 1.384 121.833 120.500 -0.084 0.000 2.055 716 R HA -0.013 4.330 4.340 0.006 0.000 0.228 716 R C 2.127 178.374 176.300 -0.089 0.000 1.143 716 R CA 1.464 57.518 56.100 -0.076 0.000 0.945 716 R CB -1.080 29.170 30.300 -0.084 0.000 0.841 716 R HN 0.211 nan 8.270 nan 0.000 0.429 717 R N -1.367 119.022 120.500 -0.186 0.000 2.096 717 R HA -0.014 4.329 4.340 0.006 0.000 0.235 717 R C 1.498 177.724 176.300 -0.124 0.000 1.127 717 R CA 1.398 57.334 56.100 -0.273 0.000 0.968 717 R CB 0.026 29.888 30.300 -0.730 0.000 0.861 717 R HN 0.741 nan 8.270 nan 0.000 0.440 718 G N -1.006 107.732 108.800 -0.103 0.000 2.179 718 G HA2 -0.258 3.705 3.960 0.006 0.000 0.220 718 G HA3 -0.258 3.705 3.960 0.006 0.000 0.220 718 G C -0.217 174.796 174.900 0.190 0.000 0.990 718 G CA 0.248 45.427 45.100 0.132 0.000 0.646 718 G HN 0.464 nan 8.290 nan 0.000 0.517 719 Y N -2.035 118.187 120.300 -0.129 0.000 2.713 719 Y HA 0.742 5.295 4.550 0.006 0.000 0.335 719 Y C -0.279 175.495 175.900 -0.210 0.000 1.222 719 Y CA -1.182 56.729 58.100 -0.314 0.000 1.061 719 Y CB 0.762 38.668 38.460 -0.924 0.000 1.314 719 Y HN 0.878 nan 8.280 nan 0.000 0.453 720 V N -1.206 118.697 119.914 -0.019 0.000 3.158 720 V HA 0.984 5.108 4.120 0.006 0.000 0.315 720 V C -1.037 175.119 176.094 0.104 0.000 1.148 720 V CA -1.093 61.187 62.300 -0.033 0.000 1.042 720 V CB 1.800 33.607 31.823 -0.027 0.000 1.101 720 V HN 1.049 nan 8.190 nan 0.000 0.448 721 E N -0.358 119.895 120.200 0.087 0.000 2.454 721 E HA 0.621 4.974 4.350 0.006 0.000 0.279 721 E C -1.027 175.646 176.600 0.122 0.000 1.029 721 E CA -0.826 55.639 56.400 0.110 0.000 0.831 721 E CB 1.753 31.530 29.700 0.129 0.000 1.405 721 E HN 0.924 nan 8.360 nan 0.000 0.463 722 T N -1.759 112.864 114.554 0.116 0.000 2.862 722 T HA 0.265 4.618 4.350 0.006 0.000 0.276 722 T C 1.153 175.889 174.700 0.061 0.000 0.974 722 T CA -0.936 61.240 62.100 0.127 0.000 0.966 722 T CB 0.738 69.705 68.868 0.166 0.000 1.072 722 T HN 0.552 nan 8.240 nan 0.000 0.538 723 L N -0.491 120.720 121.223 -0.021 0.000 2.137 723 L HA -0.070 4.273 4.340 0.006 0.000 0.213 723 L C 1.492 178.077 176.870 -0.475 0.000 1.085 723 L CA 1.843 56.525 54.840 -0.263 0.000 0.760 723 L CB -0.390 41.399 42.059 -0.451 0.000 0.893 723 L HN 0.712 nan 8.230 nan 0.000 0.434 724 F N -0.872 119.038 119.950 -0.068 0.000 2.727 724 F HA 0.268 4.798 4.527 0.005 0.000 0.302 724 F C 1.642 177.415 175.800 -0.046 0.000 1.097 724 F CA 0.617 58.544 58.000 -0.122 0.000 1.330 724 F CB 0.284 39.222 39.000 -0.103 0.000 1.084 724 F HN 0.165 nan 8.300 nan 0.000 0.578 725 G N 0.984 109.846 108.800 0.103 0.000 2.141 725 G HA2 -0.306 3.658 3.960 0.006 0.000 0.231 725 G HA3 -0.306 3.658 3.960 0.006 0.000 0.231 725 G C 0.449 175.398 174.900 0.081 0.000 0.984 725 G CA -0.294 44.857 45.100 0.084 0.000 0.660 725 G HN 0.362 nan 8.290 nan 0.000 0.525 726 R N 0.857 121.421 120.500 0.107 0.000 2.489 726 R HA 0.450 4.793 4.340 0.006 0.000 0.287 726 R C 0.956 177.259 176.300 0.004 0.000 1.053 726 R CA 0.066 56.194 56.100 0.046 0.000 1.036 726 R CB 0.265 30.604 30.300 0.064 0.000 0.966 726 R HN 0.623 nan 8.270 nan 0.000 0.432 727 R N 3.129 123.579 120.500 -0.082 0.000 2.832 727 R HA 0.517 4.860 4.340 0.006 0.000 0.271 727 R C -1.108 175.103 176.300 -0.150 0.000 0.996 727 R CA -1.049 54.972 56.100 -0.133 0.000 0.977 727 R CB 1.673 31.739 30.300 -0.391 0.000 1.168 727 R HN 0.585 nan 8.270 nan 0.000 0.482 728 R N 2.313 122.737 120.500 -0.126 0.000 2.533 728 R HA 0.240 4.583 4.340 0.006 0.000 0.288 728 R C -1.670 174.595 176.300 -0.059 0.000 1.039 728 R CA -0.679 55.394 56.100 -0.044 0.000 0.909 728 R CB 1.314 31.624 30.300 0.017 0.000 1.195 728 R HN 0.692 nan 8.270 nan 0.000 0.438 729 Y N 2.855 123.205 120.300 0.084 0.000 2.336 729 Y HA 0.284 4.838 4.550 0.006 0.000 0.335 729 Y C 0.194 176.137 175.900 0.071 0.000 1.046 729 Y CA -0.345 57.825 58.100 0.117 0.000 1.198 729 Y CB 1.853 40.363 38.460 0.084 0.000 1.182 729 Y HN 0.213 nan 8.280 nan 0.000 0.502 730 V N 6.107 126.128 119.914 0.177 0.000 2.315 730 V HA 0.154 4.277 4.120 0.006 0.000 0.265 730 V C -1.782 174.369 176.094 0.094 0.000 1.019 730 V CA -1.377 60.986 62.300 0.104 0.000 0.824 730 V CB 0.835 32.688 31.823 0.050 0.000 1.072 730 V HN 0.676 nan 8.190 nan 0.000 0.448 731 P HA -0.132 nan 4.420 nan 0.000 0.215 731 P C 0.771 178.099 177.300 0.047 0.000 1.157 731 P CA 1.183 64.330 63.100 0.077 0.000 0.868 731 P CB 0.382 32.121 31.700 0.065 0.000 0.788 732 D N -0.508 119.915 120.400 0.039 0.000 2.417 732 D HA -0.058 4.585 4.640 0.006 0.000 0.240 732 D C 1.622 177.936 176.300 0.023 0.000 1.062 732 D CA 0.241 54.257 54.000 0.026 0.000 0.959 732 D CB -0.428 40.386 40.800 0.023 0.000 0.877 732 D HN 0.104 nan 8.370 nan 0.000 0.528 733 L N -0.022 121.216 121.223 0.025 0.000 2.313 733 L HA -0.008 4.336 4.340 0.006 0.000 0.214 733 L C 1.276 178.153 176.870 0.012 0.000 1.119 733 L CA 1.260 56.110 54.840 0.018 0.000 0.809 733 L CB -0.136 41.929 42.059 0.011 0.000 0.933 733 L HN 0.026 nan 8.230 nan 0.000 0.449 734 E N -0.511 119.698 120.200 0.014 0.000 2.496 734 E HA 0.215 4.569 4.350 0.006 0.000 0.200 734 E C 0.401 177.007 176.600 0.010 0.000 1.016 734 E CA -0.339 56.067 56.400 0.009 0.000 0.962 734 E CB 0.592 30.297 29.700 0.008 0.000 1.071 734 E HN 0.271 nan 8.360 nan 0.000 0.457 735 A N 0.801 123.629 122.820 0.012 0.000 2.386 735 A HA 0.164 4.487 4.320 0.006 0.000 0.248 735 A C 1.088 178.677 177.584 0.009 0.000 1.082 735 A CA -0.237 51.807 52.037 0.011 0.000 0.789 735 A CB 0.520 19.527 19.000 0.013 0.000 1.025 735 A HN 0.105 nan 8.150 nan 0.000 0.490 736 R N 0.527 121.032 120.500 0.008 0.000 2.276 736 R HA 0.091 4.434 4.340 0.006 0.000 0.196 736 R C -0.069 176.236 176.300 0.007 0.000 0.961 736 R CA 0.333 56.437 56.100 0.007 0.000 1.024 736 R CB -0.607 29.696 30.300 0.005 0.000 0.940 736 R HN 0.439 nan 8.270 nan 0.000 0.480 737 V N 2.257 122.177 119.914 0.009 0.000 2.385 737 V HA 0.120 4.244 4.120 0.006 0.000 0.269 737 V C 1.679 177.780 176.094 0.012 0.000 1.043 737 V CA -0.413 61.893 62.300 0.009 0.000 0.906 737 V CB 1.684 33.513 31.823 0.009 0.000 0.995 737 V HN 0.122 nan 8.190 nan 0.000 0.467 738 K N 2.751 123.159 120.400 0.013 0.000 2.015 738 K HA -0.238 4.085 4.320 0.006 0.000 0.216 738 K C 2.375 178.986 176.600 0.019 0.000 1.052 738 K CA 2.308 58.605 56.287 0.016 0.000 0.937 738 K CB -0.188 32.322 32.500 0.016 0.000 0.719 738 K HN 0.706 nan 8.250 nan 0.000 0.446 739 S N 0.314 116.024 115.700 0.017 0.000 2.380 739 S HA -0.193 4.280 4.470 0.006 0.000 0.229 739 S C 2.069 176.679 174.600 0.017 0.000 1.050 739 S CA 2.441 60.651 58.200 0.017 0.000 1.100 739 S CB -0.636 62.572 63.200 0.013 0.000 0.984 739 S HN 0.353 nan 8.310 nan 0.000 0.434 740 V N 0.579 120.502 119.914 0.014 0.000 2.427 740 V HA 0.015 4.139 4.120 0.006 0.000 0.248 740 V C 2.458 178.561 176.094 0.016 0.000 1.051 740 V CA 2.149 64.457 62.300 0.013 0.000 1.048 740 V CB -1.062 30.768 31.823 0.011 0.000 0.666 740 V HN 0.541 nan 8.190 nan 0.000 0.456 741 R N 0.486 120.997 120.500 0.019 0.000 2.070 741 R HA -0.160 4.184 4.340 0.006 0.000 0.233 741 R C 2.403 178.721 176.300 0.030 0.000 1.137 741 R CA 2.243 58.356 56.100 0.022 0.000 0.945 741 R CB -0.380 29.932 30.300 0.020 0.000 0.845 741 R HN 0.696 nan 8.270 nan 0.000 0.430 742 E N -0.474 119.748 120.200 0.036 0.000 2.338 742 E HA -0.133 4.221 4.350 0.006 0.000 0.197 742 E C 1.639 178.267 176.600 0.047 0.000 1.007 742 E CA 0.691 57.124 56.400 0.054 0.000 0.849 742 E CB 0.107 29.842 29.700 0.057 0.000 0.774 742 E HN 0.457 nan 8.360 nan 0.000 0.506 743 A N 1.336 124.171 122.820 0.026 0.000 1.898 743 A HA 0.070 4.393 4.320 0.006 0.000 0.214 743 A C 2.368 179.947 177.584 -0.008 0.000 1.183 743 A CA 1.156 53.198 52.037 0.008 0.000 0.622 743 A CB -0.331 18.673 19.000 0.006 0.000 0.824 743 A HN 0.269 nan 8.150 nan 0.000 0.444 744 A N 0.082 122.904 122.820 0.004 0.000 1.930 744 A HA -0.153 4.171 4.320 0.006 0.000 0.217 744 A C 1.876 179.455 177.584 -0.009 0.000 1.175 744 A CA 1.560 53.597 52.037 -0.000 0.000 0.627 744 A CB -0.530 18.479 19.000 0.015 0.000 0.815 744 A HN 0.615 nan 8.150 nan 0.000 0.443 745 E N -0.644 119.568 120.200 0.021 0.000 2.085 745 E HA -0.232 4.122 4.350 0.006 0.000 0.194 745 E C 2.284 178.862 176.600 -0.037 0.000 0.994 745 E CA 1.318 57.761 56.400 0.071 0.000 0.801 745 E CB -0.153 29.634 29.700 0.144 0.000 0.743 745 E HN 0.518 nan 8.360 nan 0.000 0.453 746 R N 0.085 120.502 120.500 -0.137 0.000 2.115 746 R HA -0.016 4.328 4.340 0.006 0.000 0.230 746 R C 2.288 178.295 176.300 -0.489 0.000 1.111 746 R CA 1.156 56.979 56.100 -0.461 0.000 0.976 746 R CB 0.033 30.235 30.300 -0.163 0.000 0.870 746 R HN 0.172 nan 8.270 nan 0.000 0.445 747 M N -0.977 118.488 119.600 -0.225 0.000 2.288 747 M HA 0.016 4.500 4.480 0.006 0.000 0.266 747 M C 2.297 178.522 176.300 -0.126 0.000 1.072 747 M CA 1.302 56.517 55.300 -0.142 0.000 1.132 747 M CB -0.079 32.483 32.600 -0.062 0.000 1.386 747 M HN 0.198 nan 8.290 nan 0.000 0.432 748 A N 1.322 124.072 122.820 -0.117 0.000 1.845 748 A HA -0.165 4.158 4.320 0.006 0.000 0.215 748 A C 1.794 179.380 177.584 0.003 0.000 1.195 748 A CA 1.686 53.699 52.037 -0.039 0.000 0.616 748 A CB -1.033 17.968 19.000 0.001 0.000 0.832 748 A HN 0.637 nan 8.150 nan 0.000 0.443 749 F N 0.203 120.159 119.950 0.011 0.000 2.811 749 F HA 0.171 4.701 4.527 0.005 0.000 0.301 749 F C 1.359 177.293 175.800 0.225 0.000 1.151 749 F CA 0.513 58.525 58.000 0.019 0.000 1.412 749 F CB -0.603 38.363 39.000 -0.056 0.000 1.113 749 F HN 0.318 nan 8.300 nan 0.000 0.579 750 N N 0.667 119.326 118.700 -0.068 0.000 2.336 750 N HA -0.129 4.615 4.740 0.006 0.000 0.177 750 N C 1.859 177.464 175.510 0.158 0.000 1.018 750 N CA 0.798 53.891 53.050 0.073 0.000 0.878 750 N CB -0.197 38.261 38.487 -0.049 0.000 0.997 750 N HN 0.357 nan 8.380 nan 0.000 0.433 751 M N 1.570 121.234 119.600 0.107 0.000 2.088 751 M HA -0.109 4.374 4.480 0.006 0.000 0.256 751 M C -1.005 175.395 176.300 0.166 0.000 1.071 751 M CA 1.885 57.253 55.300 0.114 0.000 1.097 751 M CB -1.781 30.867 32.600 0.079 0.000 1.315 751 M HN 0.007 nan 8.290 nan 0.000 0.406 752 P HA -0.157 nan 4.420 nan 0.000 0.215 752 P C 1.717 179.143 177.300 0.209 0.000 1.157 752 P CA 2.365 65.632 63.100 0.278 0.000 0.874 752 P CB -0.568 31.441 31.700 0.515 0.000 0.790 753 V N -1.511 118.529 119.914 0.211 0.000 2.307 753 V HA -0.262 3.861 4.120 0.006 0.000 0.245 753 V C 2.440 178.593 176.094 0.098 0.000 1.045 753 V CA 2.089 64.447 62.300 0.096 0.000 1.024 753 V CB -1.913 29.957 31.823 0.078 0.000 0.651 753 V HN 0.067 nan 8.190 nan 0.000 0.449 754 Q N 1.101 120.975 119.800 0.124 0.000 2.119 754 Q HA -0.028 4.316 4.340 0.006 0.000 0.201 754 Q C 2.189 178.250 176.000 0.102 0.000 0.972 754 Q CA 2.054 57.921 55.803 0.107 0.000 0.847 754 Q CB -0.637 28.164 28.738 0.105 0.000 0.903 754 Q HN 0.715 nan 8.270 nan 0.000 0.433 755 G N -0.622 108.246 108.800 0.114 0.000 2.421 755 G HA2 -0.174 3.789 3.960 0.006 0.000 0.217 755 G HA3 -0.174 3.789 3.960 0.006 0.000 0.217 755 G C 1.314 176.293 174.900 0.133 0.000 1.143 755 G CA 1.103 46.274 45.100 0.118 0.000 0.784 755 G HN 0.344 nan 8.290 nan 0.000 0.541 756 T N 1.508 116.141 114.554 0.131 0.000 2.812 756 T HA 0.098 4.451 4.350 0.006 0.000 0.264 756 T C 2.825 177.589 174.700 0.106 0.000 1.042 756 T CA 1.245 63.435 62.100 0.150 0.000 1.140 756 T CB -0.265 68.658 68.868 0.092 0.000 0.870 756 T HN 0.336 nan 8.240 nan 0.000 0.445 757 A N 1.391 124.242 122.820 0.052 0.000 1.933 757 A HA 0.133 4.456 4.320 0.006 0.000 0.218 757 A C 2.575 180.169 177.584 0.016 0.000 1.175 757 A CA 1.832 53.864 52.037 -0.007 0.000 0.628 757 A CB -0.956 18.046 19.000 0.003 0.000 0.814 757 A HN 0.503 nan 8.150 nan 0.000 0.444 758 A N -0.027 122.835 122.820 0.070 0.000 1.872 758 A HA -0.120 4.203 4.320 0.006 0.000 0.214 758 A C 1.782 179.399 177.584 0.054 0.000 1.187 758 A CA 1.691 53.780 52.037 0.087 0.000 0.614 758 A CB -0.549 18.523 19.000 0.119 0.000 0.826 758 A HN 0.434 nan 8.150 nan 0.000 0.442 759 D N 0.031 120.463 120.400 0.052 0.000 2.116 759 D HA -0.151 4.493 4.640 0.006 0.000 0.193 759 D C 1.810 178.028 176.300 -0.135 0.000 0.998 759 D CA 1.034 54.999 54.000 -0.059 0.000 0.836 759 D CB -0.376 40.418 40.800 -0.010 0.000 0.951 759 D HN 0.217 nan 8.370 nan 0.000 0.449 760 L N 0.270 121.477 121.223 -0.027 0.000 2.012 760 L HA -0.152 4.192 4.340 0.006 0.000 0.210 760 L C 2.390 179.265 176.870 0.008 0.000 1.073 760 L CA 1.329 56.158 54.840 -0.018 0.000 0.748 760 L CB -1.041 40.999 42.059 -0.033 0.000 0.891 760 L HN 0.098 nan 8.230 nan 0.000 0.431 761 M N -0.757 118.859 119.600 0.026 0.000 2.132 761 M HA -0.170 4.314 4.480 0.006 0.000 0.263 761 M C 2.138 178.477 176.300 0.065 0.000 1.065 761 M CA 1.699 57.069 55.300 0.116 0.000 1.122 761 M CB -0.315 32.368 32.600 0.139 0.000 1.365 761 M HN 0.027 nan 8.290 nan 0.000 0.411 762 K N -0.223 120.188 120.400 0.018 0.000 2.097 762 K HA -0.143 4.181 4.320 0.006 0.000 0.206 762 K C 2.070 178.644 176.600 -0.043 0.000 1.049 762 K CA 1.374 57.651 56.287 -0.016 0.000 0.933 762 K CB -0.491 31.995 32.500 -0.024 0.000 0.717 762 K HN 0.423 nan 8.250 nan 0.000 0.442 763 L N 0.417 121.603 121.223 -0.061 0.000 2.109 763 L HA -0.132 4.211 4.340 0.006 0.000 0.207 763 L C 2.375 179.253 176.870 0.012 0.000 1.086 763 L CA 1.034 55.839 54.840 -0.059 0.000 0.760 763 L CB -0.448 41.557 42.059 -0.089 0.000 0.910 763 L HN 0.154 nan 8.230 nan 0.000 0.437 764 A N -0.171 122.685 122.820 0.059 0.000 1.902 764 A HA -0.256 4.067 4.320 0.006 0.000 0.217 764 A C 2.184 179.801 177.584 0.056 0.000 1.181 764 A CA 1.733 53.826 52.037 0.094 0.000 0.623 764 A CB -0.406 18.700 19.000 0.177 0.000 0.818 764 A HN 0.415 nan 8.150 nan 0.000 0.443 765 M N -0.781 118.839 119.600 0.035 0.000 2.117 765 M HA -0.138 4.346 4.480 0.006 0.000 0.262 765 M C 2.092 178.405 176.300 0.021 0.000 1.065 765 M CA 1.437 56.744 55.300 0.013 0.000 1.114 765 M CB -0.496 32.083 32.600 -0.035 0.000 1.361 765 M HN 0.233 nan 8.290 nan 0.000 0.408 766 V N 0.453 120.361 119.914 -0.011 0.000 2.332 766 V HA -0.287 3.837 4.120 0.006 0.000 0.248 766 V C 2.174 178.283 176.094 0.026 0.000 1.055 766 V CA 1.923 64.212 62.300 -0.018 0.000 1.038 766 V CB -0.588 31.194 31.823 -0.067 0.000 0.651 766 V HN 0.424 nan 8.190 nan 0.000 0.450 767 K N -0.637 119.781 120.400 0.030 0.000 2.116 767 K HA -0.009 4.314 4.320 0.006 0.000 0.203 767 K C 1.909 178.534 176.600 0.042 0.000 1.052 767 K CA 0.788 57.097 56.287 0.036 0.000 0.952 767 K CB -0.248 32.278 32.500 0.043 0.000 0.729 767 K HN 0.282 nan 8.250 nan 0.000 0.446 768 L N 0.145 121.399 121.223 0.051 0.000 2.109 768 L HA -0.001 4.343 4.340 0.006 0.000 0.207 768 L C 1.813 178.709 176.870 0.042 0.000 1.086 768 L CA 1.329 56.189 54.840 0.035 0.000 0.760 768 L CB -0.445 41.631 42.059 0.028 0.000 0.910 768 L HN 0.077 nan 8.230 nan 0.000 0.437 769 F N 1.838 121.749 119.950 -0.064 0.000 2.043 769 F HA -0.168 4.363 4.527 0.005 0.000 0.297 769 F C -0.495 175.252 175.800 -0.089 0.000 1.121 769 F CA 2.305 60.255 58.000 -0.084 0.000 1.199 769 F CB -1.736 37.208 39.000 -0.093 0.000 0.968 769 F HN 0.178 nan 8.300 nan 0.000 0.478 770 P HA -0.232 nan 4.420 nan 0.000 0.214 770 P C 1.369 178.552 177.300 -0.194 0.000 1.163 770 P CA 1.956 64.969 63.100 -0.145 0.000 0.889 770 P CB -0.362 31.324 31.700 -0.022 0.000 0.790 771 R N -0.761 119.664 120.500 -0.125 0.000 2.103 771 R HA -0.111 4.232 4.340 0.006 0.000 0.242 771 R C 2.387 178.589 176.300 -0.164 0.000 1.142 771 R CA 0.926 56.957 56.100 -0.115 0.000 0.960 771 R CB -1.891 28.365 30.300 -0.072 0.000 0.858 771 R HN 0.225 nan 8.270 nan 0.000 0.439 772 L N 1.828 122.924 121.223 -0.212 0.000 2.012 772 L HA -0.151 4.192 4.340 0.006 0.000 0.210 772 L C 2.374 179.062 176.870 -0.303 0.000 1.073 772 L CA 1.655 56.351 54.840 -0.239 0.000 0.748 772 L CB -0.858 41.042 42.059 -0.266 0.000 0.891 772 L HN 0.232 nan 8.230 nan 0.000 0.431 773 E N -0.650 119.264 120.200 -0.475 0.000 2.077 773 E HA -0.247 4.107 4.350 0.006 0.000 0.193 773 E C 2.066 178.525 176.600 -0.235 0.000 0.989 773 E CA 1.462 57.605 56.400 -0.428 0.000 0.800 773 E CB 0.044 29.410 29.700 -0.557 0.000 0.746 773 E HN 0.690 nan 8.360 nan 0.000 0.452 774 E N 0.473 120.554 120.200 -0.198 0.000 2.265 774 E HA -0.127 4.227 4.350 0.006 0.000 0.196 774 E C 1.602 178.132 176.600 -0.116 0.000 0.996 774 E CA 1.220 57.542 56.400 -0.131 0.000 0.832 774 E CB -0.483 29.153 29.700 -0.107 0.000 0.756 774 E HN 0.193 nan 8.360 nan 0.000 0.491 775 M N -1.522 117.999 119.600 -0.131 0.000 2.502 775 M HA 0.294 4.777 4.480 0.006 0.000 0.243 775 M C 1.669 177.894 176.300 -0.126 0.000 1.130 775 M CA 0.869 56.098 55.300 -0.119 0.000 1.055 775 M CB 0.964 33.494 32.600 -0.117 0.000 1.457 775 M HN 0.520 nan 8.290 nan 0.000 0.488 776 G N 0.699 109.431 108.800 -0.112 0.000 2.143 776 G HA2 -0.202 3.762 3.960 0.006 0.000 0.249 776 G HA3 -0.202 3.762 3.960 0.006 0.000 0.249 776 G C 0.073 174.957 174.900 -0.027 0.000 0.981 776 G CA 0.154 45.209 45.100 -0.075 0.000 0.665 776 G HN 0.660 nan 8.290 nan 0.000 0.528 777 A N -0.464 122.330 122.820 -0.044 0.000 2.248 777 A HA 1.013 5.336 4.320 0.006 0.000 0.316 777 A C 0.497 178.116 177.584 0.057 0.000 1.101 777 A CA 0.046 52.113 52.037 0.051 0.000 0.875 777 A CB 0.810 19.791 19.000 -0.032 0.000 1.207 777 A HN 1.027 nan 8.150 nan 0.000 0.504 778 R N -0.487 120.079 120.500 0.109 0.000 2.774 778 R HA 0.652 4.996 4.340 0.006 0.000 0.272 778 R C -1.098 175.222 176.300 0.033 0.000 1.000 778 R CA -0.694 55.430 56.100 0.040 0.000 0.906 778 R CB 1.717 32.043 30.300 0.043 0.000 1.227 778 R HN 0.675 nan 8.270 nan 0.000 0.468 779 M N 3.035 122.678 119.600 0.072 0.000 2.180 779 M HA 0.287 4.770 4.480 0.006 0.000 0.350 779 M C -0.567 175.720 176.300 -0.021 0.000 1.125 779 M CA -0.385 54.937 55.300 0.037 0.000 1.031 779 M CB 1.011 33.684 32.600 0.122 0.000 1.623 779 M HN 0.746 nan 8.290 nan 0.000 0.451 780 L N 4.600 125.769 121.223 -0.090 0.000 2.347 780 L HA 0.355 4.699 4.340 0.006 0.000 0.196 780 L C -0.141 176.656 176.870 -0.121 0.000 1.072 780 L CA 0.332 55.108 54.840 -0.107 0.000 0.817 780 L CB 0.150 42.123 42.059 -0.144 0.000 1.029 780 L HN 0.593 nan 8.230 nan 0.000 0.478 781 L N -1.225 119.895 121.223 -0.171 0.000 2.341 781 L HA 0.538 4.882 4.340 0.006 0.000 0.254 781 L C -0.843 175.938 176.870 -0.149 0.000 1.040 781 L CA -0.598 54.179 54.840 -0.105 0.000 0.837 781 L CB 1.865 43.871 42.059 -0.089 0.000 1.425 781 L HN -0.076 nan 8.230 nan 0.000 0.414 782 Q N 0.847 120.611 119.800 -0.060 0.000 2.289 782 Q HA 0.473 4.816 4.340 0.006 0.000 0.270 782 Q C -1.866 174.136 176.000 0.003 0.000 1.038 782 Q CA -0.373 55.399 55.803 -0.052 0.000 0.812 782 Q CB 2.966 31.622 28.738 -0.136 0.000 1.300 782 Q HN 0.531 nan 8.270 nan 0.000 0.427 783 V N 5.306 125.204 119.914 -0.027 0.000 2.572 783 V HA 0.217 4.341 4.120 0.006 0.000 0.274 783 V C 0.033 176.022 176.094 -0.176 0.000 1.075 783 V CA -0.066 62.140 62.300 -0.157 0.000 1.237 783 V CB -0.696 31.176 31.823 0.081 0.000 1.517 783 V HN 1.076 nan 8.190 nan 0.000 0.616 784 H N 0.805 119.961 119.070 0.143 0.000 4.856 784 H HA -0.257 4.303 4.556 0.005 0.000 0.059 784 H C 1.223 176.636 175.328 0.142 0.000 0.596 784 H CA 1.923 58.048 56.048 0.128 0.000 0.946 784 H CB -0.865 28.964 29.762 0.111 0.000 0.453 784 H HN 0.709 nan 8.280 nan 0.000 0.801 785 D N 2.182 122.744 120.400 0.270 0.000 2.462 785 D HA 0.127 4.771 4.640 0.006 0.000 0.221 785 D C 0.101 176.570 176.300 0.281 0.000 1.173 785 D CA 0.616 54.787 54.000 0.285 0.000 0.831 785 D CB 0.112 41.058 40.800 0.243 0.000 1.001 785 D HN 0.781 nan 8.370 nan 0.000 0.499 786 E N -0.416 119.894 120.200 0.184 0.000 2.413 786 E HA 0.612 4.965 4.350 0.006 0.000 0.277 786 E C -1.338 175.302 176.600 0.067 0.000 0.958 786 E CA -1.075 55.394 56.400 0.116 0.000 0.779 786 E CB 1.745 31.524 29.700 0.132 0.000 1.278 786 E HN -0.050 nan 8.360 nan 0.000 0.456 787 L N 1.000 122.233 121.223 0.018 0.000 2.388 787 L HA 0.613 4.957 4.340 0.006 0.000 0.264 787 L C -1.119 175.710 176.870 -0.067 0.000 0.998 787 L CA -1.379 53.441 54.840 -0.033 0.000 0.817 787 L CB 2.460 44.489 42.059 -0.050 0.000 1.338 787 L HN 0.436 nan 8.230 nan 0.000 0.414 788 V N 3.607 123.431 119.914 -0.150 0.000 2.407 788 V HA 0.443 4.566 4.120 0.006 0.000 0.291 788 V C -0.405 175.573 176.094 -0.192 0.000 1.018 788 V CA -0.467 61.679 62.300 -0.257 0.000 0.842 788 V CB 1.670 33.139 31.823 -0.589 0.000 0.996 788 V HN 0.354 nan 8.190 nan 0.000 0.426 789 L N 3.584 124.730 121.223 -0.128 0.000 2.304 789 L HA 0.682 5.025 4.340 0.006 0.000 0.268 789 L C 0.021 176.874 176.870 -0.028 0.000 1.010 789 L CA -0.530 54.271 54.840 -0.065 0.000 0.813 789 L CB 1.505 43.543 42.059 -0.035 0.000 1.315 789 L HN 0.676 nan 8.230 nan 0.000 0.445 790 E N 0.166 120.397 120.200 0.052 0.000 2.260 790 E HA 0.755 5.108 4.350 0.006 0.000 0.266 790 E C -1.733 175.122 176.600 0.425 0.000 0.887 790 E CA -0.547 55.964 56.400 0.185 0.000 0.777 790 E CB 2.049 31.788 29.700 0.064 0.000 1.205 790 E HN 0.709 nan 8.360 nan 0.000 0.414 791 A N 4.522 127.578 122.820 0.392 0.000 2.539 791 A HA 0.710 5.033 4.320 0.006 0.000 0.296 791 A C -2.810 174.564 177.584 -0.350 0.000 1.073 791 A CA -1.691 50.371 52.037 0.042 0.000 0.700 791 A CB 1.550 20.515 19.000 -0.060 0.000 1.296 791 A HN 0.386 nan 8.150 nan 0.000 0.405 792 P HA 0.156 nan 4.420 nan 0.000 0.266 792 P C 0.346 177.396 177.300 -0.416 0.000 1.195 792 P CA 0.081 62.583 63.100 -0.996 0.000 0.768 792 P CB 0.583 31.741 31.700 -0.902 0.000 0.838 793 K N 2.513 122.748 120.400 -0.275 0.000 2.127 793 K HA -0.266 4.058 4.320 0.006 0.000 0.208 793 K C 2.207 178.727 176.600 -0.135 0.000 1.047 793 K CA 2.475 58.680 56.287 -0.135 0.000 0.927 793 K CB -0.483 31.968 32.500 -0.082 0.000 0.716 793 K HN 0.599 nan 8.250 nan 0.000 0.450 794 E N 0.848 120.947 120.200 -0.167 0.000 2.409 794 E HA -0.128 4.225 4.350 0.006 0.000 0.198 794 E C 1.470 177.989 176.600 -0.135 0.000 1.024 794 E CA 1.217 57.536 56.400 -0.134 0.000 0.861 794 E CB -0.395 29.223 29.700 -0.136 0.000 0.788 794 E HN 0.443 nan 8.360 nan 0.000 0.521 795 R N -1.885 118.514 120.500 -0.168 0.000 2.531 795 R HA 0.473 4.816 4.340 0.006 0.000 0.316 795 R C 2.439 178.667 176.300 -0.119 0.000 0.955 795 R CA 0.510 56.523 56.100 -0.146 0.000 1.120 795 R CB 0.505 30.696 30.300 -0.182 0.000 1.361 795 R HN 0.275 nan 8.270 nan 0.000 0.534 796 A N 1.983 124.737 122.820 -0.110 0.000 1.884 796 A HA -0.247 4.076 4.320 0.006 0.000 0.219 796 A C 1.957 179.509 177.584 -0.053 0.000 1.197 796 A CA 1.570 53.565 52.037 -0.070 0.000 0.637 796 A CB -0.311 18.660 19.000 -0.048 0.000 0.827 796 A HN 0.239 nan 8.150 nan 0.000 0.450 797 E N -0.692 119.478 120.200 -0.050 0.000 2.077 797 E HA -0.160 4.193 4.350 0.006 0.000 0.193 797 E C 2.321 178.895 176.600 -0.043 0.000 0.989 797 E CA 1.122 57.498 56.400 -0.039 0.000 0.800 797 E CB -0.259 29.420 29.700 -0.035 0.000 0.746 797 E HN 0.589 nan 8.360 nan 0.000 0.452 798 A N 0.516 123.304 122.820 -0.053 0.000 1.969 798 A HA -0.088 4.236 4.320 0.006 0.000 0.218 798 A C 2.402 179.952 177.584 -0.056 0.000 1.169 798 A CA 0.863 52.868 52.037 -0.054 0.000 0.635 798 A CB -0.255 18.708 19.000 -0.062 0.000 0.810 798 A HN 0.119 nan 8.150 nan 0.000 0.445 799 V N -0.432 119.445 119.914 -0.062 0.000 2.407 799 V HA -0.140 3.984 4.120 0.006 0.000 0.245 799 V C 3.010 179.074 176.094 -0.049 0.000 1.041 799 V CA 1.607 63.871 62.300 -0.060 0.000 1.040 799 V CB -0.981 30.803 31.823 -0.064 0.000 0.671 799 V HN 0.589 nan 8.190 nan 0.000 0.455 800 A N 0.416 123.211 122.820 -0.043 0.000 1.858 800 A HA -0.280 4.043 4.320 0.006 0.000 0.216 800 A C 2.348 179.908 177.584 -0.039 0.000 1.190 800 A CA 2.253 54.267 52.037 -0.038 0.000 0.617 800 A CB -0.615 18.367 19.000 -0.029 0.000 0.827 800 A HN 0.473 nan 8.150 nan 0.000 0.443 801 R N -0.672 119.807 120.500 -0.035 0.000 2.103 801 R HA -0.114 4.230 4.340 0.006 0.000 0.242 801 R C 2.107 178.387 176.300 -0.034 0.000 1.142 801 R CA 1.609 57.690 56.100 -0.032 0.000 0.960 801 R CB -0.337 29.945 30.300 -0.029 0.000 0.858 801 R HN 0.498 nan 8.270 nan 0.000 0.439 802 L N 0.082 121.282 121.223 -0.038 0.000 2.027 802 L HA -0.075 4.269 4.340 0.006 0.000 0.206 802 L C 2.246 179.094 176.870 -0.037 0.000 1.074 802 L CA 2.084 56.902 54.840 -0.036 0.000 0.745 802 L CB -1.077 40.956 42.059 -0.043 0.000 0.898 802 L HN 0.403 nan 8.230 nan 0.000 0.433 803 A N 0.031 122.824 122.820 -0.045 0.000 1.883 803 A HA -0.282 4.041 4.320 0.006 0.000 0.217 803 A C 2.403 179.947 177.584 -0.067 0.000 1.186 803 A CA 2.036 54.041 52.037 -0.052 0.000 0.624 803 A CB -0.588 18.378 19.000 -0.057 0.000 0.822 803 A HN 0.455 nan 8.150 nan 0.000 0.444 804 K N -0.620 119.740 120.400 -0.068 0.000 2.009 804 K HA -0.233 4.091 4.320 0.006 0.000 0.210 804 K C 2.254 178.820 176.600 -0.057 0.000 1.049 804 K CA 2.152 58.391 56.287 -0.080 0.000 0.929 804 K CB -0.335 32.131 32.500 -0.057 0.000 0.714 804 K HN 0.510 nan 8.250 nan 0.000 0.440 805 E N 0.419 120.600 120.200 -0.032 0.000 2.077 805 E HA -0.129 4.224 4.350 0.006 0.000 0.193 805 E C 2.009 178.610 176.600 0.001 0.000 0.989 805 E CA 1.687 58.080 56.400 -0.012 0.000 0.800 805 E CB -0.998 28.696 29.700 -0.010 0.000 0.746 805 E HN 0.235 nan 8.360 nan 0.000 0.452 806 V N 0.635 120.547 119.914 -0.005 0.000 2.261 806 V HA -0.314 3.809 4.120 0.006 0.000 0.246 806 V C 2.789 178.908 176.094 0.041 0.000 1.047 806 V CA 2.342 64.652 62.300 0.017 0.000 1.015 806 V CB -0.508 31.320 31.823 0.007 0.000 0.642 806 V HN 0.563 nan 8.190 nan 0.000 0.446 807 M N -0.764 118.835 119.600 -0.002 0.000 2.117 807 M HA -0.212 4.271 4.480 0.006 0.000 0.262 807 M C 2.217 178.604 176.300 0.145 0.000 1.065 807 M CA 1.897 57.202 55.300 0.008 0.000 1.114 807 M CB -0.533 31.884 32.600 -0.306 0.000 1.361 807 M HN 0.346 nan 8.290 nan 0.000 0.408 808 E N -0.239 119.997 120.200 0.061 0.000 2.110 808 E HA -0.117 4.236 4.350 0.006 0.000 0.193 808 E C 1.625 178.302 176.600 0.128 0.000 0.988 808 E CA 1.079 57.555 56.400 0.126 0.000 0.804 808 E CB -0.119 29.610 29.700 0.048 0.000 0.745 808 E HN 0.566 nan 8.360 nan 0.000 0.458 809 G N 0.430 109.286 108.800 0.094 0.000 3.605 809 G HA2 0.039 4.002 3.960 0.006 0.000 0.277 809 G HA3 0.039 4.002 3.960 0.006 0.000 0.277 809 G C 1.104 176.069 174.900 0.108 0.000 1.093 809 G CA -0.165 44.982 45.100 0.077 0.000 0.821 809 G HN 0.156 nan 8.290 nan 0.000 0.532 810 V N -0.180 119.829 119.914 0.159 0.000 2.282 810 V HA -0.039 4.085 4.120 0.006 0.000 0.249 810 V C 0.546 176.809 176.094 0.281 0.000 1.057 810 V CA 1.539 63.958 62.300 0.198 0.000 1.032 810 V CB -0.175 31.782 31.823 0.224 0.000 0.645 810 V HN 0.403 nan 8.190 nan 0.000 0.447 811 Y N 0.697 121.053 120.300 0.093 0.000 2.412 811 Y HA 0.497 5.050 4.550 0.005 0.000 0.339 811 Y C -2.670 173.235 175.900 0.008 0.000 1.151 811 Y CA -2.632 55.525 58.100 0.095 0.000 1.355 811 Y CB 0.708 39.290 38.460 0.204 0.000 1.120 811 Y HN 0.211 nan 8.280 nan 0.000 0.529 812 P HA 0.099 nan 4.420 nan 0.000 0.263 812 P C -0.776 176.352 177.300 -0.286 0.000 1.175 812 P CA 0.923 63.913 63.100 -0.182 0.000 0.761 812 P CB 0.691 32.298 31.700 -0.156 0.000 0.794 813 L N 1.175 122.256 121.223 -0.237 0.000 2.194 813 L HA 0.649 4.993 4.340 0.006 0.000 0.248 813 L C 1.555 178.395 176.870 -0.050 0.000 1.071 813 L CA -1.113 53.508 54.840 -0.365 0.000 0.901 813 L CB 0.186 41.794 42.059 -0.751 0.000 1.497 813 L HN 0.134 nan 8.230 nan 0.000 0.442 814 A N 0.016 122.987 122.820 0.250 0.000 2.076 814 A HA 0.116 4.440 4.320 0.006 0.000 0.220 814 A C 0.629 178.262 177.584 0.083 0.000 1.160 814 A CA 1.498 53.640 52.037 0.176 0.000 0.653 814 A CB -0.719 18.398 19.000 0.196 0.000 0.801 814 A HN 0.527 nan 8.150 nan 0.000 0.455 815 V N -3.965 115.969 119.914 0.033 0.000 2.823 815 V HA 0.658 4.782 4.120 0.006 0.000 0.312 815 V C -3.067 172.989 176.094 -0.062 0.000 1.072 815 V CA -2.841 59.462 62.300 0.004 0.000 0.937 815 V CB 1.898 33.709 31.823 -0.020 0.000 1.013 815 V HN 0.111 nan 8.190 nan 0.000 0.430 816 P HA 0.310 nan 4.420 nan 0.000 0.272 816 P C -1.051 176.208 177.300 -0.068 0.000 1.223 816 P CA -0.239 62.843 63.100 -0.030 0.000 0.784 816 P CB 0.970 32.677 31.700 0.011 0.000 0.923 817 L N 2.454 123.670 121.223 -0.013 0.000 2.264 817 L HA 0.304 4.647 4.340 0.006 0.000 0.289 817 L C 0.695 177.625 176.870 0.100 0.000 1.044 817 L CA 0.058 54.924 54.840 0.042 0.000 0.807 817 L CB 0.160 42.302 42.059 0.138 0.000 1.192 817 L HN 0.359 nan 8.230 nan 0.000 0.425 818 E N 2.673 122.931 120.200 0.098 0.000 2.175 818 E HA 0.535 4.889 4.350 0.006 0.000 0.278 818 E C -1.386 175.274 176.600 0.100 0.000 0.969 818 E CA -0.495 55.956 56.400 0.085 0.000 0.796 818 E CB 2.138 31.881 29.700 0.071 0.000 1.104 818 E HN 0.259 nan 8.360 nan 0.000 0.395 819 V N 2.134 122.060 119.914 0.020 0.000 2.588 819 V HA 0.408 4.531 4.120 0.006 0.000 0.304 819 V C 0.024 176.099 176.094 -0.032 0.000 1.042 819 V CA -0.650 61.613 62.300 -0.062 0.000 0.877 819 V CB 1.537 33.232 31.823 -0.213 0.000 0.996 819 V HN 0.781 nan 8.190 nan 0.000 0.425 820 E N 3.319 123.509 120.200 -0.016 0.000 2.175 820 E HA 0.744 5.098 4.350 0.006 0.000 0.278 820 E C -0.860 175.734 176.600 -0.009 0.000 0.969 820 E CA -0.439 55.962 56.400 0.002 0.000 0.796 820 E CB 1.963 31.679 29.700 0.028 0.000 1.104 820 E HN 0.596 nan 8.360 nan 0.000 0.395 821 V N 0.117 120.027 119.914 -0.006 0.000 3.019 821 V HA 0.993 5.117 4.120 0.006 0.000 0.317 821 V C 0.646 176.747 176.094 0.012 0.000 1.094 821 V CA -0.238 62.059 62.300 -0.006 0.000 1.000 821 V CB 2.258 34.069 31.823 -0.020 0.000 1.060 821 V HN 1.153 nan 8.190 nan 0.000 0.443 822 G N 1.403 110.214 108.800 0.019 0.000 2.759 822 G HA2 0.728 4.691 3.960 0.006 0.000 0.297 822 G HA3 0.728 4.691 3.960 0.006 0.000 0.297 822 G C -1.620 173.298 174.900 0.029 0.000 1.434 822 G CA -0.518 44.600 45.100 0.030 0.000 0.980 822 G HN 0.570 nan 8.290 nan 0.000 0.531 823 I N 0.716 121.302 120.570 0.026 0.000 2.603 823 I HA 0.873 5.046 4.170 0.006 0.000 0.300 823 I C 0.530 176.668 176.117 0.035 0.000 1.017 823 I CA -0.803 60.512 61.300 0.024 0.000 1.098 823 I CB 2.439 40.445 38.000 0.011 0.000 1.279 823 I HN 0.839 nan 8.210 nan 0.000 0.437 824 G N 3.053 111.877 108.800 0.041 0.000 2.466 824 G HA2 0.187 4.150 3.960 0.006 0.000 0.291 824 G HA3 0.187 4.150 3.960 0.006 0.000 0.291 824 G C -0.414 174.517 174.900 0.051 0.000 1.460 824 G CA -0.433 44.695 45.100 0.047 0.000 0.791 824 G HN 0.571 nan 8.290 nan 0.000 0.505 825 E N -0.754 119.473 120.200 0.046 0.000 2.481 825 E HA 0.062 4.415 4.350 0.006 0.000 0.195 825 E C 0.089 176.718 176.600 0.048 0.000 1.047 825 E CA 1.136 57.563 56.400 0.044 0.000 0.867 825 E CB 0.351 30.069 29.700 0.030 0.000 0.858 825 E HN 0.603 nan 8.360 nan 0.000 0.513 826 D N -2.951 117.491 120.400 0.070 0.000 2.596 826 D HA -0.007 4.637 4.640 0.006 0.000 0.234 826 D C 0.416 176.839 176.300 0.206 0.000 1.181 826 D CA -0.839 53.228 54.000 0.113 0.000 0.856 826 D CB 0.222 41.062 40.800 0.066 0.000 1.498 826 D HN -0.265 nan 8.370 nan 0.000 0.446 827 W N 1.595 122.928 121.300 0.055 0.000 2.318 827 W HA -0.139 4.524 4.660 0.005 0.000 0.313 827 W C 1.626 178.149 176.519 0.007 0.000 1.221 827 W CA 1.171 58.533 57.345 0.029 0.000 1.266 827 W CB -0.703 28.766 29.460 0.016 0.000 1.150 827 W HN 0.568 nan 8.180 nan 0.000 0.496 828 L N 0.784 122.132 121.223 0.208 0.000 2.017 828 L HA -0.211 4.132 4.340 0.006 0.000 0.208 828 L C 2.548 179.467 176.870 0.081 0.000 1.073 828 L CA 2.738 57.614 54.840 0.060 0.000 0.745 828 L CB -1.251 40.823 42.059 0.025 0.000 0.894 828 L HN -0.222 nan 8.230 nan 0.000 0.432 829 S N -0.121 115.634 115.700 0.092 0.000 2.368 829 S HA -0.113 4.360 4.470 0.006 0.000 0.225 829 S C 1.966 176.616 174.600 0.084 0.000 1.030 829 S CA 1.010 59.253 58.200 0.071 0.000 0.999 829 S CB -0.644 62.589 63.200 0.056 0.000 0.844 829 S HN 0.649 nan 8.310 nan 0.000 0.459 830 A N 0.712 123.606 122.820 0.123 0.000 2.272 830 A HA -0.024 4.300 4.320 0.006 0.000 0.213 830 A C 0.963 178.618 177.584 0.117 0.000 1.183 830 A CA 0.886 52.992 52.037 0.115 0.000 0.719 830 A CB -0.340 18.740 19.000 0.133 0.000 0.771 830 A HN 0.230 nan 8.150 nan 0.000 0.484 831 K N -0.508 119.958 120.400 0.110 0.000 3.209 831 K HA -0.177 4.147 4.320 0.006 0.000 0.289 831 K C 0.366 177.025 176.600 0.097 0.000 1.191 831 K CA 1.166 57.499 56.287 0.076 0.000 0.851 831 K CB -2.206 30.326 32.500 0.054 0.000 1.242 831 K HN 0.991 nan 8.250 nan 0.000 0.480 832 E N 0.000 120.316 120.200 0.193 0.000 2.725 832 E HA 0.000 4.353 4.350 0.006 0.000 0.291 832 E CA 0.000 56.569 56.400 0.281 0.000 0.976 832 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440